| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 76.9 | Confident | 88 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | 0 | 140.2 | 0 | -76.7 | 171.7 | 69.9 | 0 | 0 | 106.9 | L1181 | M1-L1181 HydrophobicContact SD-CD1 3.3Å; M1-L1181 WeakPolarHBondContact SD-CD1 3.32Å | |||
| 2 | S | 80.1 | Confident | 88.3 | Confident | 18 Ų | 18 | 25.5 Ų | 25.5 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | trans | -98 | 146.2 | 177.2 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | H4 | S2-H4 PolarHBondContact O-N 2.87Š| ||
| 3 | V | 86.7 | Confident | 87.8 | Confident | 64 Ų | 64 | 32.8 Ų | 32.8 | 39% | 0.388 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 127.6 | 163.1 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | I6 | V3-I6 HydrophobicContact CG1-CD1 4.26Å; V3-I6 HydrophobicContact CG1-CG1 3.71Å |
| 4 | H | 88.5 | Confident | 87.3 | Confident | 56 Ų | 56 | 33.1 Ų | 33.1 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -38.2 | 177.1 | 176 | 69.2 | 0 | 0 | 0 | 111.8 | S2 K691 G693 | S2-H4 PolarHBondContact O-N 2.87Å; H4-K691 PolarHBondContact CE1-O 3.09Å; H4-G693 PolarHBondContact NE2-O 3.25Å |
| 5 | Q | 90 | Very high | 86.8 | Confident | 47 Ų | 47 | 33.8 Ų | 33.8 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 139.8 | -177 | -177.1 | -175.8 | -0.2 | 0 | 0 | 110 | I7 V695 | Q5-I7 HydrophobicContact CG-CG1 4.07Å; Q5-V695 PolarHBondContact NE2-O 3.05Å; Q5-V695 PolarHBondContact OE1-O 2.82Å |
| 6 | I | 90.6 | Very high | 86.9 | Confident | 63 Ų | 63 | 33.4 Ų | 33.4 | 32% | 0.323 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.6 | 171.2 | -56.4 | 179.1 | 0 | 0 | 0 | 106.8 | V3 T8 | V3-I6 HydrophobicContact CG1-CD1 4.26Å; V3-I6 HydrophobicContact CG1-CG1 3.71Å; I6-T8 HydrophobicContact CG2-CG2 4.09Å |
| 7 | I | 91.8 | Very high | 87.2 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 105.5 | -178.7 | -61.9 | 176.6 | 0 | 0 | 0 | 105.8 | Q5 C615 W681 V695 | Q5-I7 HydrophobicContact CG-CG1 4.07Å; I7-C615 WeakPolarHBondContact CG2-O 3.22Å; I7-W681 HydrophobicContact CD1-CH2 3.98Å; I7-W681 HydrophobicContact CD1-CZ3 3.89Å; I7-W681 HydrophobicContact CG2-CH2 3.84Å; I7-W681 HydrophobicContact CG2-CZ2 4.49Å; I7-V695 HydrophobicContact CD1-CB 4.3Å; I7-V695 HydrophobicContact CD1-CG1 3.84Å |
| 8 | T | 88.5 | Confident | 87.6 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.08 | 16% | 0.16 | C | C | . | . | trans | -89.9 | -1.9 | -170.2 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | I6 R46 M614 | I6-T8 HydrophobicContact CG2-CG2 4.09Å; T8-R46 HydrophobicContact CG2-CB 4.1Å; T8-R46 HydrophobicContact CG2-CG 4Å; T8-M614 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 9 | G | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | 107.4 | 177 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M614 C615 H617 | G9-M614 WeakPolarHBondContact O-CG 3.43Å; G9-C615 VanDerWaalsContact C-C 3.45Å; G9-C615 CarbonylContact C-O 3.34Å; G9-C615 VanDerWaalsContact C-O 3.25Å; G9-C615 VanDerWaalsContact CA-O 3.3Å; G9-C615 WeakPolarHBondContact CA-O 3.06Å; G9-C615 PolarHBondContact N-O 3Å; G9-C615 CarbonylContact O-C 3.57Å; G9-C615 VanDerWaalsContact O-C 3.25Å; G9-C615 WeakPolarHBondContact O-CA 2.98Å; G9-C615 PolarHBondContact O-N 3.16Å; G9-H617 WeakPolarHBondContact CA-O 3.34Å | ||
| 10 | A | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -103.5 | 154.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V33 G616 H617 R618 | A10-V33 WeakPolarHBondContact O-CG1 3.46Å; A10-G616 WeakPolarHBondContact CB-O 3.33Å; A10-G616 PolarHBondContact N-O 3.05Å; A10-G616 VanDerWaalsContact N-O 3.17Å; A10-H617 PolarHBondContact N-O 3.34Å; A10-R618 HydrophobicContact CB-CG 4.14Å |
| 11 | L | 92.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -63 | 146.6 | 171 | -65.2 | 172.1 | 0 | 0 | 0 | 111.5 | V17 F18 C31 A32 T583 G587 L589 M614 R618 | L11-V17 HydrophobicContact CB-CG2 3.97Å; L11-V17 HydrophobicContact CD1-CG2 4.19Å; L11-V17 HydrophobicContact CD2-CG2 4.42Å; L11-V17 HydrophobicContact CG-CG2 4.43Å; L11-F18 HydrophobicContact CD1-CB 4.21Å; L11-F18 HydrophobicContact CD1-CD1 4.42Å; L11-F18 HydrophobicContact CD1-CG 4.49Å; L11-F18 HydrophobicContact CD2-CB 4.06Å; L11-C31 HydrophobicContact CD2-CB 3.61Å; L11-A32 WeakPolarHBondContact CA-O 3.39Å; L11-T583 HydrophobicContact CD1-CG2 3.56Å; L11-G587 WeakPolarHBondContact CB-O 3.36Å; L11-G587 PolarHBondContact N-O 2.95Å; L11-G587 WeakPolarHBondContact O-CA 3.28Å; L11-L589 HydrophobicContact CD1-CB 3.93Å; L11-L589 HydrophobicContact CD1-CD1 4.31Å; L11-L589 HydrophobicContact CD1-CD2 4.43Å; L11-L589 HydrophobicContact CD1-CG 4.46Å; L11-M614 HydrophobicContact CD2-CE 3.74Å; L11-M614 HydrophobicContact CG-CE 3.75Å; L11-R618 PolarHBondContact O-NE 2.89Å |
| 12 | N | 90.8 | Very high | 88.9 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 6% | 0.059 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 165.9 | 166.4 | -72.6 | -16.2 | 0 | 0 | 0 | 111.9 | V17 A32 G34 V60 | N12-V17 HydrophobicContact CB-CB 4.5Å; N12-V17 HydrophobicContact CB-CG1 3.99Å; N12-A32 PolarHBondContact N-O 3.13Å; N12-G34 PolarHBondContact ND2-O 2.93Å; N12-G34 WeakPolarHBondContact OD1-CA 3.46Å; N12-G34 PolarHBondContact OD1-N 2.95Å; N12-V60 PolarHBondContact ND2-O 3.29Å |
| 13 | R | 82.6 | Confident | 89.2 | Confident | 120 Ų | 120 | 27.6 Ų | 27.6 | 45% | 0.453 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -74.2 | 137.2 | 171 | -85.5 | -178.4 | 162.4 | 176.2 | -3.7 | 110.2 | F674 | R13-F674 HydrophobicContact CG-CE2 4.01Å; R13-F674 VanDerWaalsContact NE-CZ 3.3Å |
| 14 | G | 80.7 | Confident | 88.8 | Confident | 38 Ų | 38 | 25.8 Ų | 25.8 | 39% | 0.392 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 133.2 | 165.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V17 | G14-V17 VanDerWaalsContact O-CG2 3.28Å; G14-V17 WeakPolarHBondContact O-CG2 3.27Å |
| 15 | E | 79.1 | Confident | 88.2 | Confident | 43 Ų | 43 | 23.7 Ų | 23.7 | 20% | 0.201 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -88.3 | -24.5 | -178.2 | -64.2 | 179.5 | 169.8 | 0 | 0 | 112.7 | R197 N542 | E15-R197 WeakPolarHBondContact OE2-CG 3.39Å; E15-N542 PolarHBondContact O-ND2 3.02Å |
| 16 | N | 88.7 | Confident | 87.9 | Confident | 27 Ų | 27 | 23.5 Ų | 23.5 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -101.7 | 26 | -175.2 | -53.5 | -58.9 | 0 | 0 | 0 | 113 | S62 V63 T117 C118 R197 | N16-S62 WeakPolarHBondContact CB-OG 3.35Å; N16-S62 CarbonylContact O-C 3.56Å; N16-S62 VanDerWaalsContact O-CA 3.29Å; N16-S62 WeakPolarHBondContact O-CA 3.34Å; N16-S62 PolarHBondContact O-OG 2.82Å; N16-V63 PolarHBondContact O-N 3.16Å; N16-T117 PolarHBondContact ND2-O 3.38Å; N16-C118 PolarHBondContact ND2-SG 2.89Å; N16-R197 PolarHBondContact ND2-O 3.42Å |
| 17 | V | 91.8 | Very high | 87.8 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.03 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -88.6 | -4.7 | -176.6 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | L11 N12 G14 A32 V63 | L11-V17 HydrophobicContact CB-CG2 3.97Å; L11-V17 HydrophobicContact CD1-CG2 4.19Å; L11-V17 HydrophobicContact CD2-CG2 4.42Å; L11-V17 HydrophobicContact CG-CG2 4.43Å; N12-V17 HydrophobicContact CB-CB 4.5Å; N12-V17 HydrophobicContact CB-CG1 3.99Å; G14-V17 VanDerWaalsContact O-CG2 3.28Å; G14-V17 WeakPolarHBondContact O-CG2 3.27Å; V17-A32 HydrophobicContact CB-CB 4.16Å; V17-A32 VanDerWaalsContact O-CB 3.25Å; V17-A32 WeakPolarHBondContact O-CB 3.21Å; V17-A32 PolarHBondContact O-N 3.13Å; V17-V63 WeakPolarHBondContact O-CG2 3.45Å |
| 18 | F | 95 | Very high | 87.8 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 4% | 0.039 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 155.9 | 170.6 | 82 | -72.5 | 0 | 0 | 0 | 110.2 | L11 T29 V30 N542 A544 L581 T583 L589 | L11-F18 HydrophobicContact CD1-CB 4.21Å; L11-F18 HydrophobicContact CD1-CD1 4.42Å; L11-F18 HydrophobicContact CD1-CG 4.49Å; L11-F18 HydrophobicContact CD2-CB 4.06Å; F18-T29 HydrophobicContact CD2-CG2 4.44Å; F18-V30 CarbonylContact C-O 3.58Å; F18-V30 WeakPolarHBondContact CA-O 3.39Å; F18-V30 WeakPolarHBondContact CB-O 3.26Å; F18-N542 HydrophobicContact CE1-CB 4.47Å; F18-N542 WeakPolarHBondContact CZ-O 3.44Å; F18-A544 HydrophobicContact CE2-CB 3.95Å; F18-A544 HydrophobicContact CZ-CB 4.38Å; F18-L581 HydrophobicContact CD2-CD1 4.29Å; F18-L581 HydrophobicContact CE2-CB 4.37Å; F18-L581 HydrophobicContact CE2-CD1 4.01Å; F18-T583 HydrophobicContact CD1-CG2 3.54Å; F18-T583 HydrophobicContact CE1-CG2 3.37Å; F18-T583 HydrophobicContact CG-CG2 4.25Å; F18-T583 HydrophobicContact CZ-CG2 3.95Å; F18-L589 HydrophobicContact CD2-CD1 4.27Å; F18-L589 HydrophobicContact CE2-CD1 4.38Å |
| 19 | S | 94.5 | Very high | 88.1 | Confident | 26 Ų | 26 | 21 Ų | 21 | 18% | 0.182 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 140.8 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | V30 G65 | S19-V30 PolarHBondContact N-O 3.21Å; S19-V30 PolarHBondContact O-N 2.88Å; S19-G65 PolarHBondContact OG-N 2.98Å |
| 20 | V | 92.9 | Very high | 88.4 | Confident | 22 Ų | 22 | 21 Ų | 21 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.1 | 167.5 | 177.3 | 0 | 0 | 0 | 0 | 107.8 | F28 N67 A544 L546 L581 | V20-F28 WeakPolarHBondContact CA-O 3.31Å; V20-N67 PolarHBondContact O-OD1 3.09Å; V20-A544 HydrophobicContact CG2-CB 3.92Å; V20-L546 HydrophobicContact CB-CD2 4.35Å; V20-L546 HydrophobicContact CG1-CD2 3.53Å; V20-L546 HydrophobicContact CG2-CD2 3.82Å; V20-L546 HydrophobicContact CG2-CG 4.34Å; V20-L581 HydrophobicContact CG2-CD1 3.88Å |
| 21 | G | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 170.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N27 F28 | G21-N27 WeakPolarHBondContact O-CA 3.46Å; G21-F28 PolarHBondContact N-O 3.09Å; G21-F28 WeakPolarHBondContact O-CD1 3.4Å; G21-F28 PolarHBondContact O-N 2.84Å |
| 22 | L | 87.9 | Confident | 88.6 | Confident | 27 Ų | 27 | 21 Ų | 21 | 14% | 0.141 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.5 | 178.3 | -166.6 | 79.4 | 0 | 0 | 0 | 109.3 | N27 C66 N67 G70 | L22-N27 VanDerWaalsContact CD1-OD1 3.3Å; L22-N27 WeakPolarHBondContact CD1-OD1 3.4Å; L22-C66 PolarHBondContact N-O 3.43Å; L22-C66 VanDerWaalsContact N-O 3.08Å; L22-N67 WeakPolarHBondContact CB-O 3.44Å; L22-N67 WeakPolarHBondContact CD2-O 3.39Å; L22-G70 WeakPolarHBondContact O-CA 3.36Å; L22-G70 PolarHBondContact O-N 2.96Å; L22-G70 VanDerWaalsContact O-N 3.08Å |
| 23 | V | 86.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.9 | 170.2 | 66 | 0 | 0 | 0 | 0 | 108.2 | G25 I26 F28 P85 L100 Y102 W104 | V23-G25 PolarHBondContact O-N 2.81Å; V23-I26 PolarHBondContact N-O 3.28Å; V23-I26 PolarHBondContact O-N 2.68Å; V23-F28 HydrophobicContact CB-CD1 4.19Å; V23-F28 HydrophobicContact CB-CE1 3.97Å; V23-F28 HydrophobicContact CG1-CD1 3.88Å; V23-F28 HydrophobicContact CG1-CE1 4.15Å; V23-P85 HydrophobicContact CG2-CB 4.09Å; V23-P85 HydrophobicContact CG2-CG 4.02Å; V23-L100 HydrophobicContact CG1-CD1 3.92Å; V23-Y102 HydrophobicContact CG1-CD2 3.87Å; V23-Y102 HydrophobicContact CG1-CE2 4.11Å; V23-Y102 HydrophobicContact CG1-CG 4.26Å; V23-Y102 HydrophobicContact CG2-CD1 3.96Å; V23-Y102 HydrophobicContact CG2-CD2 4.24Å; V23-Y102 HydrophobicContact CG2-CE1 3.74Å; V23-Y102 HydrophobicContact CG2-CE2 4.05Å; V23-Y102 HydrophobicContact CG2-CG 4.2Å; V23-W104 HydrophobicContact CG1-CH2 4.47Å; V23-W104 HydrophobicContact CG1-CZ2 4.36Å |
| 24 | D | 78.9 | Confident | 89 | Confident | 26 Ų | 26 | 14.7 Ų | 14.7 | 14% | 0.139 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 39.9 | 179.1 | -66.3 | 36.2 | 0 | 0 | 0 | 113.6 | I26 Y102 H317 K319 W554 | D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 PolarHBondContact O-N 2.92Å; D24-Y102 VanDerWaalsContact CG-OH 3.28Å; D24-Y102 PolarHBondContact OD2-OH 2.61Å; D24-H317 IonicContact OD2-CE1 3.14Å; D24-H317 PolarHBondContact OD2-CE1 2.79Å; D24-H317 VanDerWaalsContact OD2-CE1 3.26Å; D24-K319 VanDerWaalsContact CG-NZ 3.26Å; D24-K319 WeakPolarHBondContact OD1-CE 3.45Å; D24-K319 IonicContact OD1-NZ 3.93Å; D24-K319 PolarHBondContact OD1-NZ 2.97Å; D24-K319 WeakPolarHBondContact OD2-CE 3.23Å; D24-K319 IonicContact OD2-NZ 3.13Å; D24-K319 PolarHBondContact OD2-NZ 2.78Å; D24-W554 VanDerWaalsContact O-CE2 3.23Å; D24-W554 WeakPolarHBondContact O-CZ2 3.27Å; D24-W554 PolarHBondContact O-NE1 3.45Å |
| 25 | G | 75.9 | Confident | 89.3 | Confident | 12 Ų | 12 | 13.3 Ų | 13.3 | 12% | 0.124 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -0.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V23 | V23-G25 PolarHBondContact O-N 2.81Š|
| 26 | I | 82.2 | Confident | 89.8 | Confident | 43 Ų | 43 | 11.7 Ų | 11.7 | 22% | 0.221 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.9 | 175.3 | -46.4 | -179.3 | 0 | 0 | 0 | 109.2 | V23 D24 L100 | V23-I26 PolarHBondContact N-O 3.28Å; V23-I26 PolarHBondContact O-N 2.68Å; D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 PolarHBondContact O-N 2.92Å; I26-L100 HydrophobicContact CB-CD1 3.92Å; I26-L100 HydrophobicContact CD1-CD1 4.09Å; I26-L100 HydrophobicContact CG2-CD1 3.75Å |
| 27 | N | 88.7 | Confident | 90 | Very high | 30 Ų | 30 | 10.4 Ų | 10.4 | 16% | 0.16 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 137.3 | 177.1 | -75.3 | -54.2 | 0 | 0 | 0 | 111 | G21 L22 C42 L546 N547 | G21-N27 WeakPolarHBondContact O-CA 3.46Å; L22-N27 VanDerWaalsContact CD1-OD1 3.3Å; L22-N27 WeakPolarHBondContact CD1-OD1 3.4Å; N27-C42 HydrophobicContact CB-CB 4.45Å; N27-C42 PolarHBondContact O-N 2.91Å; N27-L546 HydrophobicContact CB-CD2 3.76Å; N27-N547 PolarHBondContact ND2-N 2.97Å; N27-N547 PolarHBondContact ND2-O 2.7Å |
| 28 | F | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154.6 | 171.7 | 67.9 | -87.3 | 0 | 0 | 0 | 110.5 | V20 G21 V23 V30 I39 L40 G70 I72 L100 W104 | V20-F28 WeakPolarHBondContact CA-O 3.31Å; G21-F28 PolarHBondContact N-O 3.09Å; G21-F28 WeakPolarHBondContact O-CD1 3.4Å; G21-F28 PolarHBondContact O-N 2.84Å; V23-F28 HydrophobicContact CB-CD1 4.19Å; V23-F28 HydrophobicContact CB-CE1 3.97Å; V23-F28 HydrophobicContact CG1-CD1 3.88Å; V23-F28 HydrophobicContact CG1-CE1 4.15Å; F28-V30 HydrophobicContact CD2-CG2 3.77Å; F28-V30 HydrophobicContact CE2-CG2 3.47Å; F28-V30 VanDerWaalsContact CE2-CG2 3.47Å; F28-I39 HydrophobicContact CD2-CG2 4.1Å; F28-L40 CarbonylContact C-O 3.57Å; F28-L40 WeakPolarHBondContact CA-O 3.36Å; F28-L40 WeakPolarHBondContact CB-O 3.45Å; F28-G70 WeakPolarHBondContact CZ-O 3.43Å; F28-I72 HydrophobicContact CE2-CD1 3.91Å; F28-I72 HydrophobicContact CE2-CG1 3.91Å; F28-I72 HydrophobicContact CZ-CG1 4.31Å; F28-L100 HydrophobicContact CB-CD2 3.7Å; F28-W104 HydrophobicContact CD1-CZ2 4.05Å; F28-W104 HydrophobicContact CD2-CH2 4.4Å; F28-W104 AromaticContact CD2-CZ2 3.94Å; F28-W104 HydrophobicContact CD2-CZ2 3.94Å; F28-W104 AromaticContact CE1-CZ2 3.95Å; F28-W104 HydrophobicContact CE1-CZ2 3.95Å; F28-W104 AromaticContact CE2-CZ2 3.84Å; F28-W104 HydrophobicContact CE2-CZ2 3.84Å; F28-W104 HydrophobicContact CG-CH2 4.3Å; F28-W104 HydrophobicContact CG-CZ2 4.04Å; F28-W104 AromaticContact CZ-CZ2 3.86Å; F28-W104 HydrophobicContact CZ-CZ2 3.86Å |
| 29 | T | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.7 | 179 | -49.3 | 0 | 0 | 0 | 0 | 109.7 | F18 L40 F44 L581 L589 | F18-T29 HydrophobicContact CD2-CG2 4.44Å; T29-L40 PolarHBondContact N-O 3.41Å; T29-L40 PolarHBondContact O-N 2.86Å; T29-F44 HydrophobicContact CG2-CE2 4.4Å; T29-L581 HydrophobicContact CG2-CD1 3.95Å; T29-L589 HydrophobicContact CG2-CD2 4.27Å |
| 30 | V | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133 | 174.2 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | F18 S19 F28 V37 V38 V63 I72 | F18-V30 CarbonylContact C-O 3.58Å; F18-V30 WeakPolarHBondContact CA-O 3.39Å; F18-V30 WeakPolarHBondContact CB-O 3.26Å; S19-V30 PolarHBondContact N-O 3.21Å; S19-V30 PolarHBondContact O-N 2.88Å; F28-V30 HydrophobicContact CD2-CG2 3.77Å; F28-V30 HydrophobicContact CE2-CG2 3.47Å; F28-V30 VanDerWaalsContact CE2-CG2 3.47Å; V30-V37 HydrophobicContact CG1-CG1 3.48Å; V30-V37 VanDerWaalsContact CG1-CG1 3.48Å; V30-V38 WeakPolarHBondContact CA-O 3.4Å; V30-V63 HydrophobicContact CG1-CB 4.09Å; V30-V63 HydrophobicContact CG1-CG1 4.25Å; V30-V63 HydrophobicContact CG1-CG2 4.29Å; V30-I72 HydrophobicContact CG1-CD1 4.34Å; V30-I72 HydrophobicContact CG1-CG2 3.83Å; V30-I72 HydrophobicContact CG2-CD1 3.56Å; V30-I72 HydrophobicContact CG2-CG1 3.84Å; V30-I72 HydrophobicContact CG2-CG2 4.22Å |
| 31 | C | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.8 | -175.4 | -67.3 | 0 | 0 | 0 | 0 | 111 | L11 V33 V38 M614 | L11-C31 HydrophobicContact CD2-CB 3.61Å; C31-V33 HydrophobicContact CB-CG2 4.18Å; C31-V38 HydrophobicContact CB-CB 4.24Å; C31-V38 PolarHBondContact N-O 3.27Å; C31-V38 PolarHBondContact O-N 3.02Å; C31-M614 HydrophobicContact CB-CE 3.93Å; C31-M614 HydrophobicContact CB-SD 4.04Å |
| 32 | A | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 106.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | L11 N12 V17 V60 V63 | L11-A32 WeakPolarHBondContact CA-O 3.39Å; N12-A32 PolarHBondContact N-O 3.13Å; V17-A32 HydrophobicContact CB-CB 4.16Å; V17-A32 VanDerWaalsContact O-CB 3.25Å; V17-A32 WeakPolarHBondContact O-CB 3.21Å; V17-A32 PolarHBondContact O-N 3.13Å; A32-V60 HydrophobicContact CB-CB 3.77Å; A32-V60 HydrophobicContact CB-CG1 3.51Å; A32-V63 HydrophobicContact CB-CG1 4.19Å; A32-V63 HydrophobicContact CB-CG2 4.45Å |
| 33 | V | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 94.9 | -176.6 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | A10 C31 C35 D36 V38 M614 | A10-V33 WeakPolarHBondContact O-CG1 3.46Å; C31-V33 HydrophobicContact CB-CG2 4.18Å; V33-C35 PolarHBondContact O-N 2.8Å; V33-D36 PolarHBondContact N-O 3.24Å; V33-D36 PolarHBondContact O-N 2.97Å; V33-V38 HydrophobicContact CB-CG2 3.94Å; V33-V38 HydrophobicContact CG2-CB 4.23Å; V33-V38 HydrophobicContact CG2-CG2 3.73Å; V33-M614 HydrophobicContact CG2-CE 3.95Å |
| 34 | G | 88.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -104.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N12 Q59 V60 R618 | N12-G34 PolarHBondContact ND2-O 2.93Å; N12-G34 WeakPolarHBondContact OD1-CA 3.46Å; N12-G34 PolarHBondContact OD1-N 2.95Å; G34-Q59 CarbonylContact O-C 3.56Å; G34-Q59 VanDerWaalsContact O-CA 3.25Å; G34-Q59 WeakPolarHBondContact O-CA 3.39Å; G34-V60 PolarHBondContact O-N 2.88Å; G34-R618 VanDerWaalsContact CA-O 3.24Å; G34-R618 WeakPolarHBondContact CA-O 3.28Å; G34-R618 PolarHBondContact N-O 2.91Å |
| 35 | C | 87.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 13 Ų | 13 | 5% | 0.054 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -10 | 178.6 | -47.7 | 0 | 0 | 0 | 0 | 112.8 | V33 G52 F57 V58 H639 | V33-C35 PolarHBondContact O-N 2.8Å; C35-G52 WeakPolarHBondContact O-CA 3.28Å; C35-F57 PolarHBondContact SG-O 3.3Å; C35-V58 WeakPolarHBondContact CA-O 3.47Å; C35-H639 PolarHBondContact SG-NE2 2.76Å |
| 36 | D | 90.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 5% | 0.048 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 151 | -170.6 | -56.5 | -23.7 | 0 | 0 | 0 | 111.1 | V33 V49 I50 P51 G52 | V33-D36 PolarHBondContact N-O 3.24Å; V33-D36 PolarHBondContact O-N 2.97Å; D36-V49 HydrophobicContact CB-CG1 4.06Å; D36-I50 WeakPolarHBondContact CA-O 3.39Å; D36-P51 WeakPolarHBondContact OD1-CA 3.28Å; D36-G52 PolarHBondContact OD1-N 2.98Å |
| 37 | V | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 107.9 | 169.7 | -178.2 | 0 | 0 | 0 | 0 | 108 | V30 I50 V60 A74 F76 | V30-V37 HydrophobicContact CG1-CG1 3.48Å; V30-V37 VanDerWaalsContact CG1-CG1 3.48Å; V37-I50 HydrophobicContact CB-CB 4.21Å; V37-I50 PolarHBondContact N-O 3.43Å; V37-I50 PolarHBondContact O-N 2.91Å; V37-V60 HydrophobicContact CG2-CG1 4.37Å; V37-V60 HydrophobicContact CG2-CG2 3.89Å; V37-A74 HydrophobicContact CG2-CB 3.77Å; V37-F76 HydrophobicContact CG2-CZ 4.01Å |
| 38 | V | 93.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.5 | -179 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | V30 C31 V33 L40 V49 | V30-V38 WeakPolarHBondContact CA-O 3.4Å; C31-V38 HydrophobicContact CB-CB 4.24Å; C31-V38 PolarHBondContact N-O 3.27Å; C31-V38 PolarHBondContact O-N 3.02Å; V33-V38 HydrophobicContact CB-CG2 3.94Å; V33-V38 HydrophobicContact CG2-CB 4.23Å; V33-V38 HydrophobicContact CG2-CG2 3.73Å; V38-L40 HydrophobicContact CG1-CD2 3.84Å; V38-L40 HydrophobicContact CG1-CG 4.35Å; V38-V49 HydrophobicContact CG1-CG2 4.42Å; V38-V49 HydrophobicContact CG2-CG1 4.28Å; V38-V49 HydrophobicContact CG2-CG2 4.24Å |
| 39 | I | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.1 | 179.9 | -51.7 | 176.8 | 0 | 0 | 0 | 108.9 | F28 V47 Q48 I50 I72 W104 | F28-I39 HydrophobicContact CD2-CG2 4.1Å; I39-V47 PolarHBondContact O-N 2.83Å; I39-Q48 HydrophobicContact CB-CB 4.4Å; I39-Q48 HydrophobicContact CD1-CB 4.38Å; I39-Q48 PolarHBondContact N-O 3.43Å; I39-Q48 PolarHBondContact O-N 3.04Å; I39-I50 HydrophobicContact CD1-CD1 4.16Å; I39-I72 HydrophobicContact CD1-CD1 3.49Å; I39-I72 VanDerWaalsContact CD1-CD1 3.49Å; I39-I72 HydrophobicContact CG1-CD1 4.02Å; I39-W104 HydrophobicContact CD1-CB 3.87Å; I39-W104 HydrophobicContact CD1-CD2 3.58Å; I39-W104 HydrophobicContact CD1-CE3 3.57Å; I39-W104 HydrophobicContact CD1-CG 3.73Å; I39-W104 HydrophobicContact CD1-CZ3 4.34Å; I39-W104 HydrophobicContact CG2-CE3 4.12Å; I39-W104 HydrophobicContact CG2-CH2 4Å; I39-W104 HydrophobicContact CG2-CZ2 4.47Å; I39-W104 HydrophobicContact CG2-CZ3 3.81Å |
| 40 | L | 92.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 150.1 | 179.6 | -53.4 | -178 | 0 | 0 | 0 | 110.6 | F28 T29 V38 F44 K45 R46 M614 | F28-L40 CarbonylContact C-O 3.57Å; F28-L40 WeakPolarHBondContact CA-O 3.36Å; F28-L40 WeakPolarHBondContact CB-O 3.45Å; T29-L40 PolarHBondContact N-O 3.41Å; T29-L40 PolarHBondContact O-N 2.86Å; V38-L40 HydrophobicContact CG1-CD2 3.84Å; V38-L40 HydrophobicContact CG1-CG 4.35Å; L40-F44 HydrophobicContact CB-CD2 4.41Å; L40-F44 HydrophobicContact CD1-CB 4.29Å; L40-F44 HydrophobicContact CD1-CD1 4.07Å; L40-F44 HydrophobicContact CD1-CD2 3.97Å; L40-F44 HydrophobicContact CD1-CE1 4.3Å; L40-F44 HydrophobicContact CD1-CE2 4.19Å; L40-F44 HydrophobicContact CD1-CG 3.87Å; L40-F44 HydrophobicContact CD1-CZ 4.33Å; L40-K45 WeakPolarHBondContact CA-O 3.37Å; L40-R46 HydrophobicContact CD2-CB 4.17Å; L40-M614 HydrophobicContact CD1-CG 4.48Å; L40-M614 HydrophobicContact CD1-SD 3.9Å |
| 41 | D | 89.4 | Confident | 89.6 | Confident | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -176.5 | 168.1 | 72.8 | 7.8 | 0 | 0 | 0 | 112.2 | E43 F44 K45 V47 L100 | D41-E43 PolarHBondContact O-N 2.85Å; D41-E43 WeakPolarHBondContact OD1-CA 3.19Å; D41-E43 PolarHBondContact OD1-N 2.95Å; D41-F44 PolarHBondContact O-N 3.37Å; D41-F44 PolarHBondContact OD1-N 2.98Å; D41-K45 PolarHBondContact N-O 2.81Å; D41-K45 PolarHBondContact OD1-N 3.45Å; D41-K45 WeakPolarHBondContact OD2-CB 3.19Å; D41-V47 HydrophobicContact CB-CG2 3.89Å; D41-L100 HydrophobicContact CB-CB 4.14Å |
| 42 | C | 85.6 | Confident | 88.7 | Confident | 19 Ų | 19 | 16 Ų | 16 | 13% | 0.128 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.6 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | N27 Y579 | N27-C42 HydrophobicContact CB-CB 4.45Å; N27-C42 PolarHBondContact O-N 2.91Å; C42-Y579 WeakPolarHBondContact O-CD2 3.26Å; C42-Y579 WeakPolarHBondContact O-CE2 3.45Å |
| 43 | E | 84.5 | Confident | 87.5 | Confident | 48 Ų | 48 | 16.2 Ų | 16.2 | 22% | 0.224 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -0.7 | 176.3 | -59.8 | -145.1 | 115.1 | 0 | 0 | 113.7 | D41 K45 K611 | D41-E43 PolarHBondContact O-N 2.85Å; D41-E43 WeakPolarHBondContact OD1-CA 3.19Å; D41-E43 PolarHBondContact OD1-N 2.95Å; E43-K45 HydrophobicContact CB-CG 4.39Å; E43-K45 WeakPolarHBondContact OE2-CE 3.22Å; E43-K45 IonicContact OE2-NZ 2.74Å; E43-K45 PolarHBondContact OE2-NZ 2.9Å; E43-K611 VanDerWaalsContact CD-NZ 3.31Å; E43-K611 IonicContact OE1-NZ 3.49Å; E43-K611 PolarHBondContact OE1-NZ 3.17Å |
| 44 | F | 86.7 | Confident | 86.3 | Confident | 28 Ų | 28 | 18.4 Ų | 18.4 | 12% | 0.123 | 10% | 0.096 | C | C | . | . | trans | 68.3 | 25 | -171.3 | -78.4 | -156.6 | 0 | 0 | 0 | 114.9 | T29 L40 D41 L581 L589 L591 S612 M614 | T29-F44 HydrophobicContact CG2-CE2 4.4Å; L40-F44 HydrophobicContact CB-CD2 4.41Å; L40-F44 HydrophobicContact CD1-CB 4.29Å; L40-F44 HydrophobicContact CD1-CD1 4.07Å; L40-F44 HydrophobicContact CD1-CD2 3.97Å; L40-F44 HydrophobicContact CD1-CE1 4.3Å; L40-F44 HydrophobicContact CD1-CE2 4.19Å; L40-F44 HydrophobicContact CD1-CG 3.87Å; L40-F44 HydrophobicContact CD1-CZ 4.33Å; D41-F44 PolarHBondContact O-N 3.37Å; D41-F44 PolarHBondContact OD1-N 2.98Å; F44-L581 HydrophobicContact CE1-CD2 4.25Å; F44-L581 HydrophobicContact CE2-CD1 4.46Å; F44-L581 HydrophobicContact CE2-CD2 3.58Å; F44-L581 HydrophobicContact CZ-CD1 4.39Å; F44-L581 HydrophobicContact CZ-CD2 3.29Å; F44-L581 HydrophobicContact CZ-CG 4.48Å; F44-L589 HydrophobicContact CE1-CB 4.45Å; F44-L589 HydrophobicContact CE1-CD2 3.78Å; F44-L589 HydrophobicContact CE1-CG 3.77Å; F44-L589 HydrophobicContact CE2-CD2 4.48Å; F44-L589 HydrophobicContact CZ-CD2 3.42Å; F44-L589 VanDerWaalsContact CZ-CD2 3.42Å; F44-L589 HydrophobicContact CZ-CG 3.67Å; F44-L591 HydrophobicContact CB-CD2 4.37Å; F44-L591 HydrophobicContact CD1-CB 4.02Å; F44-L591 HydrophobicContact CD2-CB 4.5Å; F44-L591 HydrophobicContact CD2-CD1 4.35Å; F44-L591 HydrophobicContact CD2-CD2 4.09Å; F44-L591 HydrophobicContact CE1-CB 4.03Å; F44-L591 HydrophobicContact CE2-CD1 4.18Å; F44-L591 HydrophobicContact CG-CB 4.28Å; F44-L591 HydrophobicContact CG-CD2 4.09Å; F44-L591 HydrophobicContact CZ-CB 4.31Å; F44-S612 WeakPolarHBondContact CB-OG 3.12Å; F44-M614 HydrophobicContact CE1-CB 4.45Å | ||
| 45 | K | 86.3 | Confident | 85.3 | Confident | 68 Ų | 68 | 19.2 Ų | 19.2 | 30% | 0.296 | 10% | 0.101 | S | C | . | . | trans | -74.3 | 136.6 | 161.9 | -50.7 | 172.1 | -172 | 160.8 | 0 | 107.9 | L40 D41 E43 V47 E98 | L40-K45 WeakPolarHBondContact CA-O 3.37Å; D41-K45 PolarHBondContact N-O 2.81Å; D41-K45 PolarHBondContact OD1-N 3.45Å; D41-K45 WeakPolarHBondContact OD2-CB 3.19Å; E43-K45 HydrophobicContact CB-CG 4.39Å; E43-K45 WeakPolarHBondContact OE2-CE 3.22Å; E43-K45 IonicContact OE2-NZ 2.74Å; E43-K45 PolarHBondContact OE2-NZ 2.9Å; K45-V47 PolarHBondContact O-N 2.81Å; K45-E98 IonicContact NZ-OE2 3.22Å; K45-E98 PolarHBondContact NZ-OE2 2.85Å | ||
| 46 | R | 87.5 | Confident | 84.4 | Confident | 56 Ų | 56 | 21.3 Ų | 21.3 | 21% | 0.211 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 114.8 | -179.5 | 175.8 | -154.3 | 64.5 | -178.4 | -1 | 110.1 | T8 L40 V49 | T8-R46 HydrophobicContact CG2-CB 4.1Å; T8-R46 HydrophobicContact CG2-CG 4Å; L40-R46 HydrophobicContact CD2-CB 4.17Å; R46-V49 HydrophobicContact CG-CG2 4.24Å |
| 47 | V | 88.7 | Confident | 83.7 | Confident | 41 Ų | 41 | 24.4 Ų | 24.4 | 25% | 0.248 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -49.4 | -179.5 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | I39 D41 K45 L100 W104 | I39-V47 PolarHBondContact O-N 2.83Å; D41-V47 HydrophobicContact CB-CG2 3.89Å; K45-V47 PolarHBondContact O-N 2.81Å; V47-L100 HydrophobicContact CG1-CB 4.43Å; V47-L100 WeakPolarHBondContact CG1-O 3.47Å; V47-L100 HydrophobicContact CG2-CB 3.95Å; V47-L100 HydrophobicContact CG2-CD2 4.14Å; V47-W104 HydrophobicContact CG1-CZ3 4.15Å |
| 48 | Q | 89.9 | Confident | 83.2 | Confident | 17 Ų | 17 | 26.6 Ų | 26.6 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 150 | -179.2 | 179.3 | 175.5 | 1.1 | 0 | 0 | 110.5 | I39 I50 W104 | I39-Q48 HydrophobicContact CB-CB 4.4Å; I39-Q48 HydrophobicContact CD1-CB 4.38Å; I39-Q48 PolarHBondContact N-O 3.43Å; I39-Q48 PolarHBondContact O-N 3.04Å; Q48-I50 HydrophobicContact CG-CG1 4.28Å; Q48-W104 PolarHBondContact NE2-O 2.85Å; Q48-W104 PolarHBondContact OE1-O 2.81Å |
| 49 | V | 89.3 | Confident | 82.8 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138 | 161.9 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | D36 V38 R46 | D36-V49 HydrophobicContact CB-CG1 4.06Å; V38-V49 HydrophobicContact CG1-CG2 4.42Å; V38-V49 HydrophobicContact CG2-CG1 4.28Å; V38-V49 HydrophobicContact CG2-CG2 4.24Å; R46-V49 HydrophobicContact CG-CG2 4.24Å |
| 50 | I | 89.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 8% | 0.077 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110.1 | 171.6 | -56.6 | 178.2 | 0 | 0 | 0 | 106.5 | D36 V37 I39 Q48 Y83 W104 | D36-I50 WeakPolarHBondContact CA-O 3.39Å; V37-I50 HydrophobicContact CB-CB 4.21Å; V37-I50 PolarHBondContact N-O 3.43Å; V37-I50 PolarHBondContact O-N 2.91Å; I39-I50 HydrophobicContact CD1-CD1 4.16Å; Q48-I50 HydrophobicContact CG-CG1 4.28Å; I50-Y83 HydrophobicContact CD1-CD1 3.72Å; I50-Y83 HydrophobicContact CD1-CD2 4.23Å; I50-Y83 HydrophobicContact CD1-CE1 3.91Å; I50-Y83 HydrophobicContact CD1-CE2 4.38Å; I50-Y83 HydrophobicContact CD1-CG 3.9Å; I50-Y83 HydrophobicContact CG2-CE1 3.83Å; I50-W104 HydrophobicContact CD1-CB 4.27Å |
| 51 | P | 82.3 | Confident | 82.5 | Confident | 15 Ų | 15 | 29.5 Ų | 29.5 | 10% | 0.097 | 17% | 0.166 | C | C | . | . | trans | -78.6 | 135 | -168.6 | 29.8 | -34.7 | 0 | 0 | 0 | 112.5 | D36 C53 S54 | D36-P51 WeakPolarHBondContact OD1-CA 3.28Å; P51-C53 PolarHBondContact O-N 3.22Å; P51-C53 VanDerWaalsContact O-N 3.1Å; P51-S54 PolarHBondContact O-N 2.84Å; P51-S54 PolarHBondContact O-OG 2.99Å | ||
| 52 | G | 76.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -67.3 | -5.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C35 D36 S54 T55 G56 F57 | C35-G52 WeakPolarHBondContact O-CA 3.28Å; D36-G52 PolarHBondContact OD1-N 2.98Å; G52-S54 PolarHBondContact O-N 2.68Å; G52-T55 CarbonylContact O-C 3.54Å; G52-T55 PolarHBondContact O-N 3.28Å; G52-T55 PolarHBondContact O-OG1 3.01Å; G52-G56 PolarHBondContact O-N 2.9Å; G52-F57 WeakPolarHBondContact O-CA 3.33Å; G52-F57 PolarHBondContact O-N 3.17Å |
| 53 | C | 69.2 | Low | 83.1 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -58.6 | -38.7 | 172.2 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | P51 T55 G56 F57 C1141 | P51-C53 PolarHBondContact O-N 3.22Å; P51-C53 VanDerWaalsContact O-N 3.1Å; C53-T55 PolarHBondContact O-N 3.45Å; C53-G56 PolarHBondContact O-N 3.4Å; C53-G56 VanDerWaalsContact O-N 3.1Å; C53-F57 HydrophobicContact CB-CE1 3.75Å; C53-F57 HydrophobicContact CB-CE2 4.14Å; C53-F57 HydrophobicContact CB-CZ 3.51Å; C53-C1141 WeakPolarHBondContact O-CB 3.35Å; C53-C1141 PolarHBondContact O-SG 2.9Å |
| 54 | S | 67.5 | Low | 83.7 | Confident | 46 Ų | 46 | 26.6 Ų | 26.6 | 32% | 0.322 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -58.8 | -17.2 | 174.5 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | P51 G52 R81 | P51-S54 PolarHBondContact O-N 2.84Å; P51-S54 PolarHBondContact O-OG 2.99Å; G52-S54 PolarHBondContact O-N 2.68Å; S54-R81 PolarHBondContact O-NH2 2.96Å |
| 55 | T | 66.6 | Low | 84 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 10% | 0.104 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -113.9 | 5.4 | -176.6 | 77.5 | 0 | 0 | 0 | 0 | 112.8 | G52 C53 V58 F76 | G52-T55 CarbonylContact O-C 3.54Å; G52-T55 PolarHBondContact O-N 3.28Å; G52-T55 PolarHBondContact O-OG1 3.01Å; C53-T55 PolarHBondContact O-N 3.45Å; T55-V58 WeakPolarHBondContact O-CG2 3.3Å; T55-F76 HydrophobicContact CG2-CD1 3.73Å; T55-F76 HydrophobicContact CG2-CD2 4.25Å; T55-F76 HydrophobicContact CG2-CE1 3.43Å; T55-F76 VanDerWaalsContact CG2-CE1 3.43Å; T55-F76 HydrophobicContact CG2-CE2 4Å; T55-F76 HydrophobicContact CG2-CG 4.12Å; T55-F76 HydrophobicContact CG2-CZ 3.59Å; T55-F76 WeakPolarHBondContact OG1-CD1 3.41Å; T55-F76 WeakPolarHBondContact OG1-CE1 3.46Å |
| 56 | G | 69.4 | Low | 84.3 | Confident | 52 Ų | 52 | 22.5 Ų | 22.5 | 54% | 0.536 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 22.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G52 C53 V58 | G52-G56 PolarHBondContact O-N 2.9Å; C53-G56 PolarHBondContact O-N 3.4Å; C53-G56 VanDerWaalsContact O-N 3.1Å; G56-V58 VanDerWaalsContact C-N 3.25Å; G56-V58 PolarHBondContact O-N 2.9Å |
| 57 | F | 76.7 | Confident | 84.1 | Confident | 73 Ų | 73 | 24.5 Ų | 24.5 | 32% | 0.32 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 60 | 31.2 | -175.8 | -54.9 | -81.1 | 0 | 0 | 0 | 114 | C35 G52 C53 H639 V641 | C35-F57 PolarHBondContact SG-O 3.3Å; G52-F57 WeakPolarHBondContact O-CA 3.33Å; G52-F57 PolarHBondContact O-N 3.17Å; C53-F57 HydrophobicContact CB-CE1 3.75Å; C53-F57 HydrophobicContact CB-CE2 4.14Å; C53-F57 HydrophobicContact CB-CZ 3.51Å; F57-H639 PolarHBondContact O-NE2 3.5Å; F57-V641 WeakPolarHBondContact O-CG2 3.44Å |
| 58 | V | 81.9 | Confident | 83.7 | Confident | 47 Ų | 47 | 27.2 Ų | 27.2 | 29% | 0.285 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -72.6 | 138.5 | 169.5 | 178.9 | 0 | 0 | 0 | 0 | 109 | C35 T55 G56 F76 | C35-V58 WeakPolarHBondContact CA-O 3.47Å; T55-V58 WeakPolarHBondContact O-CG2 3.3Å; G56-V58 VanDerWaalsContact C-N 3.25Å; G56-V58 PolarHBondContact O-N 2.9Å; V58-F76 HydrophobicContact CB-CB 4.34Å; V58-F76 HydrophobicContact CG1-CB 4.02Å |
| 59 | Q | 85.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 27.7 Ų | 27.7 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 142.2 | 178.8 | -61.1 | -170.5 | 9 | 0 | 0 | 111.3 | G34 T61 F619 H639 L673 | G34-Q59 CarbonylContact O-C 3.56Å; G34-Q59 VanDerWaalsContact O-CA 3.25Å; G34-Q59 WeakPolarHBondContact O-CA 3.39Å; Q59-T61 PolarHBondContact O-N 3.19Å; Q59-F619 HydrophobicContact CG-CE1 4.09Å; Q59-H639 WeakPolarHBondContact CG-CE1 3.49Å; Q59-H639 PolarHBondContact NE2-CE1 2.9Å; Q59-H639 VanDerWaalsContact NE2-CE1 3.27Å; Q59-H639 PolarHBondContact NE2-ND1 2.86Å; Q59-L673 HydrophobicContact CG-CD2 4.3Å |
| 60 | V | 90.2 | Very high | 83.6 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 117.5 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | N12 A32 G34 V37 V63 A74 A75 F76 | N12-V60 PolarHBondContact ND2-O 3.29Å; A32-V60 HydrophobicContact CB-CB 3.77Å; A32-V60 HydrophobicContact CB-CG1 3.51Å; G34-V60 PolarHBondContact O-N 2.88Å; V37-V60 HydrophobicContact CG2-CG1 4.37Å; V37-V60 HydrophobicContact CG2-CG2 3.89Å; V60-V63 HydrophobicContact CG1-CG1 3.57Å; V60-A74 HydrophobicContact CG1-CB 4.47Å; V60-A75 CarbonylContact C-O 3.57Å; V60-A75 WeakPolarHBondContact CA-O 3.33Å; V60-F76 HydrophobicContact CG2-CD1 3.87Å; V60-F76 HydrophobicContact CG2-CE1 3.38Å; V60-F76 HydrophobicContact CG2-CZ 3.89Å |
| 61 | T | 89.8 | Confident | 83.8 | Confident | 36 Ų | 36 | 28.2 Ų | 28.2 | 22% | 0.221 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -33.7 | -173.3 | 62.1 | 0 | 0 | 0 | 0 | 112.7 | Q59 A75 L115 V116 | Q59-T61 PolarHBondContact O-N 3.19Å; T61-A75 PolarHBondContact N-O 3.13Å; T61-A75 WeakPolarHBondContact OG1-CB 3.44Å; T61-A75 PolarHBondContact OG1-O 3.47Å; T61-L115 HydrophobicContact CG2-CD1 3.67Å; T61-V116 PolarHBondContact OG1-O 2.93Å |
| 62 | S | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 147.4 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | N16 A75 | N16-S62 WeakPolarHBondContact CB-OG 3.35Å; N16-S62 CarbonylContact O-C 3.56Å; N16-S62 VanDerWaalsContact O-CA 3.29Å; N16-S62 WeakPolarHBondContact O-CA 3.34Å; N16-S62 PolarHBondContact O-OG 2.82Å; S62-A75 PolarHBondContact O-N 2.61Å |
| 63 | V | 95.5 | Very high | 85.4 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.7 | 172 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | N16 V17 V30 A32 V60 A73 A74 | N16-V63 PolarHBondContact O-N 3.16Å; V17-V63 WeakPolarHBondContact O-CG2 3.45Å; V30-V63 HydrophobicContact CG1-CB 4.09Å; V30-V63 HydrophobicContact CG1-CG1 4.25Å; V30-V63 HydrophobicContact CG1-CG2 4.29Å; A32-V63 HydrophobicContact CB-CG1 4.19Å; A32-V63 HydrophobicContact CB-CG2 4.45Å; V60-V63 HydrophobicContact CG1-CG1 3.57Å; V63-A73 CarbonylContact C-O 3.58Å; V63-A73 WeakPolarHBondContact CA-O 3.38Å; V63-A74 HydrophobicContact CG1-CB 4Å |
| 64 | A | 95.4 | Very high | 86.7 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 123.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | I72 A73 L119 W121 | A64-I72 CarbonylContact O-C 3.57Å; A64-I72 WeakPolarHBondContact O-CA 3.46Å; A64-A73 PolarHBondContact N-O 2.79Å; A64-A73 PolarHBondContact O-N 3.06Å; A64-L119 HydrophobicContact CB-CB 3.74Å; A64-W121 PolarHBondContact O-NE1 3.37Å |
| 65 | G | 93.8 | Very high | 87.9 | Confident | 7 Ų | 7 | 25 Ų | 25 | 7% | 0.072 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 140.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S19 W121 | S19-G65 PolarHBondContact OG-N 2.98Å; G65-W121 VanDerWaalsContact C-CD1 3.47Å |
| 66 | C | 91.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | trans | -82.5 | 134.1 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 110 | L22 E68 S69 K71 W121 | L22-C66 PolarHBondContact N-O 3.43Å; L22-C66 VanDerWaalsContact N-O 3.08Å; C66-E68 PolarHBondContact O-N 2.82Å; C66-S69 PolarHBondContact SG-OG 3.28Å; C66-K71 HydrophobicContact CB-CB 4.2Å; C66-K71 WeakPolarHBondContact CB-O 3.46Å; C66-K71 PolarHBondContact N-O 3.06Å; C66-W121 HydrophobicContact CB-CB 4.4Å; C66-W121 HydrophobicContact CB-CD2 4.32Å; C66-W121 HydrophobicContact CB-CG 3.99Å | ||
| 67 | N | 84.3 | Confident | 89.7 | Confident | 98 Ų | 98 | 25.5 Ų | 25.5 | 52% | 0.524 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.2 | -178.6 | -65.4 | -21.6 | 0 | 0 | 0 | 114 | V20 L22 | V20-N67 PolarHBondContact O-OD1 3.09Å; L22-N67 WeakPolarHBondContact CB-O 3.44Å; L22-N67 WeakPolarHBondContact CD2-O 3.39Å |
| 68 | E | 79.4 | Confident | 90.1 | Very high | 98 Ų | 98 | 24.4 Ų | 24.4 | 46% | 0.458 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -53.4 | -173.4 | -61.7 | 172.3 | 138.2 | 0 | 0 | 111.5 | C66 D124 | C66-E68 PolarHBondContact O-N 2.82Å; E68-D124 WeakPolarHBondContact CB-OD1 3.26Å; E68-D124 VanDerWaalsContact OE2-CA 3.29Å; E68-D124 WeakPolarHBondContact OE2-CA 3.41Å; E68-D124 PolarHBondContact OE2-N 3.06Å |
| 69 | S | 87.3 | Confident | 90.4 | Very high | 27 Ų | 27 | 25.1 Ų | 25.1 | 19% | 0.189 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -4.3 | -176.8 | 64.4 | 0 | 0 | 0 | 0 | 115.2 | C66 K71 D124 | C66-S69 PolarHBondContact SG-OG 3.28Å; S69-K71 PolarHBondContact O-N 3.48Å; S69-K71 VanDerWaalsContact O-N 3.12Å; S69-K71 WeakPolarHBondContact OG-CD 3.42Å; S69-K71 WeakPolarHBondContact OG-CG 3.33Å; S69-D124 WeakPolarHBondContact CB-O 3.42Å; S69-D124 PolarHBondContact OG-O 3.22Å |
| 70 | G | 89.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | 64.4 | 7.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L22 F28 P85 W104 | L22-G70 WeakPolarHBondContact O-CA 3.36Å; L22-G70 PolarHBondContact O-N 2.96Å; L22-G70 VanDerWaalsContact O-N 3.08Å; F28-G70 WeakPolarHBondContact CZ-O 3.43Å; G70-P85 WeakPolarHBondContact O-CD 3.41Å; G70-W104 PolarHBondContact O-NE1 2.8Å | ||
| 71 | K | 94.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 25.7 Ų | 25.7 | 13% | 0.13 | 13% | 0.128 | C | C | . | . | trans | -60 | 150.2 | 171.6 | -67.8 | 168.7 | -171.9 | 154.3 | 0 | 110.8 | C66 S69 Y83 W121 D124 G125 | C66-K71 HydrophobicContact CB-CB 4.2Å; C66-K71 WeakPolarHBondContact CB-O 3.46Å; C66-K71 PolarHBondContact N-O 3.06Å; S69-K71 PolarHBondContact O-N 3.48Å; S69-K71 VanDerWaalsContact O-N 3.12Å; S69-K71 WeakPolarHBondContact OG-CD 3.42Å; S69-K71 WeakPolarHBondContact OG-CG 3.33Å; K71-Y83 CarbonylContact C-O 3.56Å; K71-Y83 WeakPolarHBondContact CA-O 3.1Å; K71-W121 HydrophobicContact CB-CH2 4.33Å; K71-W121 HydrophobicContact CB-CZ2 4.01Å; K71-W121 HydrophobicContact CD-CH2 4.43Å; K71-D124 PolarHBondContact NZ-O 2.91Å; K71-D124 VanDerWaalsContact NZ-O 3.09Å; K71-G125 WeakPolarHBondContact CD-O 3.41Å; K71-G125 VanDerWaalsContact NZ-C 3.26Å; K71-G125 PolarHBondContact NZ-O 2.81Å | ||
| 72 | I | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.2 | 175.2 | -57.6 | 174.6 | 0 | 0 | 0 | 108.2 | F28 V30 I39 A64 I82 Y83 W104 | F28-I72 HydrophobicContact CE2-CD1 3.91Å; F28-I72 HydrophobicContact CE2-CG1 3.91Å; F28-I72 HydrophobicContact CZ-CG1 4.31Å; V30-I72 HydrophobicContact CG1-CD1 4.34Å; V30-I72 HydrophobicContact CG1-CG2 3.83Å; V30-I72 HydrophobicContact CG2-CD1 3.56Å; V30-I72 HydrophobicContact CG2-CG1 3.84Å; V30-I72 HydrophobicContact CG2-CG2 4.22Å; I39-I72 HydrophobicContact CD1-CD1 3.49Å; I39-I72 VanDerWaalsContact CD1-CD1 3.49Å; I39-I72 HydrophobicContact CG1-CD1 4.02Å; A64-I72 CarbonylContact O-C 3.57Å; A64-I72 WeakPolarHBondContact O-CA 3.46Å; I72-I82 CarbonylContact O-C 3.51Å; I72-I82 WeakPolarHBondContact O-CA 3.43Å; I72-Y83 HydrophobicContact CB-CD2 4.39Å; I72-Y83 HydrophobicContact CG2-CD2 4.38Å; I72-Y83 PolarHBondContact N-O 3.32Å; I72-Y83 PolarHBondContact O-N 2.86Å; I72-W104 VanDerWaalsContact CD1-CD1 3.42Å; I72-W104 HydrophobicContact CD1-CD2 4.15Å; I72-W104 HydrophobicContact CD1-CG 3.84Å |
| 73 | A | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.9 | 163 | 0 | 0 | 0 | 0 | 0 | 108.5 | V63 A64 R81 I82 L119 W121 L128 | V63-A73 CarbonylContact C-O 3.58Å; V63-A73 WeakPolarHBondContact CA-O 3.38Å; A64-A73 PolarHBondContact N-O 2.79Å; A64-A73 PolarHBondContact O-N 3.06Å; A73-R81 WeakPolarHBondContact CA-O 3.38Å; A73-I82 HydrophobicContact CB-CD1 3.69Å; A73-L119 HydrophobicContact CB-CD1 3.94Å; A73-W121 HydrophobicContact CB-CH2 4.41Å; A73-W121 HydrophobicContact CB-CZ2 3.58Å; A73-L128 HydrophobicContact CB-CD1 4.14Å; A73-L128 HydrophobicContact CB-CD2 3.88Å |
| 74 | A | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V37 V60 V63 F76 R81 Y83 | V37-A74 HydrophobicContact CG2-CB 3.77Å; V60-A74 HydrophobicContact CG1-CB 4.47Å; V63-A74 HydrophobicContact CG1-CB 4Å; A74-F76 HydrophobicContact CB-CE2 3.81Å; A74-F76 HydrophobicContact CB-CZ 4.32Å; A74-R81 PolarHBondContact N-O 3.43Å; A74-R81 PolarHBondContact O-N 3.33Å; A74-Y83 HydrophobicContact CB-CE2 4.05Å |
| 75 | A | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V60 T61 S62 F79 V80 V116 L119 | V60-A75 CarbonylContact C-O 3.57Å; V60-A75 WeakPolarHBondContact CA-O 3.33Å; T61-A75 PolarHBondContact N-O 3.13Å; T61-A75 WeakPolarHBondContact OG1-CB 3.44Å; T61-A75 PolarHBondContact OG1-O 3.47Å; S62-A75 PolarHBondContact O-N 2.61Å; A75-F79 CarbonylContact C-O 3.59Å; A75-F79 WeakPolarHBondContact CA-O 3.49Å; A75-V80 HydrophobicContact CB-CG2 4.47Å; A75-V116 HydrophobicContact CB-CB 3.74Å; A75-V116 HydrophobicContact CB-CG1 3.62Å; A75-V116 HydrophobicContact CB-CG2 4.45Å; A75-L119 HydrophobicContact CB-CD1 4.07Å |
| 76 | F | 89.2 | Confident | 90.6 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 81.8 | 174.3 | -63.4 | -92.2 | 0 | 0 | 0 | 107.2 | V37 T55 V58 V60 A74 D78 F79 R81 | V37-F76 HydrophobicContact CG2-CZ 4.01Å; T55-F76 HydrophobicContact CG2-CD1 3.73Å; T55-F76 HydrophobicContact CG2-CD2 4.25Å; T55-F76 HydrophobicContact CG2-CE1 3.43Å; T55-F76 VanDerWaalsContact CG2-CE1 3.43Å; T55-F76 HydrophobicContact CG2-CE2 4Å; T55-F76 HydrophobicContact CG2-CG 4.12Å; T55-F76 HydrophobicContact CG2-CZ 3.59Å; T55-F76 WeakPolarHBondContact OG1-CD1 3.41Å; T55-F76 WeakPolarHBondContact OG1-CE1 3.46Å; V58-F76 HydrophobicContact CB-CB 4.34Å; V58-F76 HydrophobicContact CG1-CB 4.02Å; V60-F76 HydrophobicContact CG2-CD1 3.87Å; V60-F76 HydrophobicContact CG2-CE1 3.38Å; V60-F76 HydrophobicContact CG2-CZ 3.89Å; A74-F76 HydrophobicContact CB-CE2 3.81Å; A74-F76 HydrophobicContact CB-CZ 4.32Å; F76-D78 PolarHBondContact O-N 3.33Å; F76-F79 PolarHBondContact N-O 3.04Å; F76-F79 PolarHBondContact O-N 3.39Å; F76-F79 VanDerWaalsContact O-N 3.1Å; F76-R81 HydrophobicContact CD2-CB 4.47Å; F76-R81 HydrophobicContact CD2-CG 4.27Å; F76-R81 HydrophobicContact CE2-CB 4.14Å; F76-R81 HydrophobicContact CE2-CG 4.2Å |
| 77 | Y | 84.6 | Confident | 90.3 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 29% | 0.29 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -91.6 | -175.8 | -168 | -99.3 | 0 | 0 | 0 | 113.8 | L115 V116 F646 | Y77-L115 HydrophobicContact CD2-CD1 3.72Å; Y77-L115 HydrophobicContact CE2-CB 4.21Å; Y77-L115 HydrophobicContact CE2-CD1 4.03Å; Y77-L115 HydrophobicContact CG-CD1 4.44Å; Y77-L115 WeakPolarHBondContact O-CA 3.35Å; Y77-V116 PolarHBondContact O-N 2.85Å; Y77-F646 AromaticContact CE2-CE2 3.87Å; Y77-F646 HydrophobicContact CE2-CE2 3.87Å; Y77-F646 HydrophobicContact CE2-CZ 4.13Å; Y77-F646 AromaticContact CZ-CE2 3.76Å; Y77-F646 VanDerWaalsContact OH-CE2 3.22Å; Y77-F646 WeakPolarHBondContact OH-CE2 3.47Å; Y77-F646 WeakPolarHBondContact OH-CZ 3.36Å |
| 78 | D | 85.5 | Confident | 90.1 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -0.2 | -178.8 | 61 | -13.5 | 0 | 0 | 0 | 113.5 | F76 V112 | F76-D78 PolarHBondContact O-N 3.33Å; D78-V112 WeakPolarHBondContact O-CA 3.42Å; D78-V112 PolarHBondContact O-N 3.36Å |
| 79 | F | 89.5 | Confident | 89.4 | Confident | 61 Ų | 61 | 36.7 Ų | 36.7 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.6 | 176.3 | -98.9 | -95.2 | 0 | 0 | 0 | 112.6 | A75 F76 P111 | A75-F79 CarbonylContact C-O 3.59Å; A75-F79 WeakPolarHBondContact CA-O 3.49Å; F76-F79 PolarHBondContact N-O 3.04Å; F76-F79 PolarHBondContact O-N 3.39Å; F76-F79 VanDerWaalsContact O-N 3.1Å; F79-P111 HydrophobicContact CD1-CB 4.46Å; F79-P111 HydrophobicContact CD2-CB 4.38Å; F79-P111 HydrophobicContact CE1-CB 3.98Å; F79-P111 HydrophobicContact CE1-CG 4.45Å; F79-P111 HydrophobicContact CE2-CB 3.88Å; F79-P111 HydrophobicContact CZ-CB 3.67Å; F79-P111 HydrophobicContact CZ-CG 4.32Å |
| 80 | V | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.8 | 171.4 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | A75 I82 A109 F110 V112 V116 L119 L128 V130 | A75-V80 HydrophobicContact CB-CG2 4.47Å; V80-I82 HydrophobicContact CG1-CD1 3.85Å; V80-A109 VanDerWaalsContact O-CA 3.3Å; V80-A109 WeakPolarHBondContact O-CA 3.3Å; V80-F110 HydrophobicContact CB-CD2 4.33Å; V80-F110 HydrophobicContact CB-CE1 4.33Å; V80-F110 HydrophobicContact CB-CE2 3.86Å; V80-F110 HydrophobicContact CB-CZ 3.86Å; V80-F110 HydrophobicContact CG1-CE1 4.17Å; V80-F110 HydrophobicContact CG1-CE2 4.32Å; V80-F110 HydrophobicContact CG1-CZ 3.81Å; V80-F110 HydrophobicContact CG2-CE2 4.24Å; V80-F110 PolarHBondContact N-O 2.79Å; V80-F110 PolarHBondContact O-N 3.27Å; V80-V112 HydrophobicContact CG2-CG2 3.85Å; V80-V116 HydrophobicContact CG2-CG2 4.12Å; V80-L119 HydrophobicContact CG2-CD2 4.37Å; V80-L128 HydrophobicContact CG1-CD2 4.12Å; V80-V130 HydrophobicContact CG2-CG1 4.36Å |
| 81 | R | 93.5 | Very high | 86 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 15% | 0.151 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.5 | 171.9 | -72.1 | -172.9 | 164.2 | 83.7 | -4.5 | 110.9 | S54 A73 A74 F76 Y83 E106 A109 | S54-R81 PolarHBondContact O-NH2 2.96Å; A73-R81 WeakPolarHBondContact CA-O 3.38Å; A74-R81 PolarHBondContact N-O 3.43Å; A74-R81 PolarHBondContact O-N 3.33Å; F76-R81 HydrophobicContact CD2-CB 4.47Å; F76-R81 HydrophobicContact CD2-CG 4.27Å; F76-R81 HydrophobicContact CE2-CB 4.14Å; F76-R81 HydrophobicContact CE2-CG 4.2Å; R81-Y83 HydrophobicContact CB-CE2 3.92Å; R81-Y83 VanDerWaalsContact CD-OH 3.29Å; R81-Y83 WeakPolarHBondContact CD-OH 3.35Å; R81-E106 VanDerWaalsContact CD-OE1 3.3Å; R81-E106 WeakPolarHBondContact CD-OE1 3.49Å; R81-E106 IonicContact NE-OE1 3.82Å; R81-E106 PolarHBondContact NE-OE1 2.81Å; R81-E106 IonicContact NE-OE2 3.78Å; R81-E106 PolarHBondContact NE-OE2 3.45Å; R81-A109 HydrophobicContact CG-CB 3.93Å |
| 82 | I | 94.3 | Very high | 83.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.8 | 177.1 | -48.4 | -55.6 | 0 | 0 | 0 | 109.5 | I72 A73 V80 A107 S108 F110 W121 L128 W184 | I72-I82 CarbonylContact O-C 3.51Å; I72-I82 WeakPolarHBondContact O-CA 3.43Å; A73-I82 HydrophobicContact CB-CD1 3.69Å; V80-I82 HydrophobicContact CG1-CD1 3.85Å; I82-A107 PolarHBondContact O-N 2.79Å; I82-S108 PolarHBondContact N-O 2.86Å; I82-S108 PolarHBondContact O-N 2.84Å; I82-F110 HydrophobicContact CD1-CE1 4.29Å; I82-F110 HydrophobicContact CG1-CE1 4.2Å; I82-W121 HydrophobicContact CD1-CH2 3.85Å; I82-W121 HydrophobicContact CD1-CZ2 4.13Å; I82-W121 HydrophobicContact CG1-CH2 4.48Å; I82-W121 HydrophobicContact CG2-CH2 3.79Å; I82-W121 HydrophobicContact CG2-CZ2 4.16Å; I82-L128 HydrophobicContact CD1-CD2 3.64Å; I82-W184 HydrophobicContact CG1-CZ2 4.14Å; I82-W184 HydrophobicContact CG2-CZ2 4.41Å |
| 83 | Y | 94.2 | Very high | 81.2 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.1 | 175.6 | -51.4 | -87.7 | 0 | 0 | 0 | 111.2 | I50 K71 I72 A74 R81 F105 E106 | I50-Y83 HydrophobicContact CD1-CD1 3.72Å; I50-Y83 HydrophobicContact CD1-CD2 4.23Å; I50-Y83 HydrophobicContact CD1-CE1 3.91Å; I50-Y83 HydrophobicContact CD1-CE2 4.38Å; I50-Y83 HydrophobicContact CD1-CG 3.9Å; I50-Y83 HydrophobicContact CG2-CE1 3.83Å; K71-Y83 CarbonylContact C-O 3.56Å; K71-Y83 WeakPolarHBondContact CA-O 3.1Å; I72-Y83 HydrophobicContact CB-CD2 4.39Å; I72-Y83 HydrophobicContact CG2-CD2 4.38Å; I72-Y83 PolarHBondContact N-O 3.32Å; I72-Y83 PolarHBondContact O-N 2.86Å; A74-Y83 HydrophobicContact CB-CE2 4.05Å; R81-Y83 HydrophobicContact CB-CE2 3.92Å; R81-Y83 VanDerWaalsContact CD-OH 3.29Å; R81-Y83 WeakPolarHBondContact CD-OH 3.35Å; Y83-F105 CarbonylContact C-O 3.11Å; Y83-F105 WeakPolarHBondContact CA-O 3.45Å; Y83-E106 HydrophobicContact CD1-CB 3.98Å; Y83-E106 HydrophobicContact CE1-CB 3.9Å; Y83-E106 HydrophobicContact CE1-CG 4.31Å |
| 84 | K | 91.8 | Very high | 78.4 | Confident | 115 Ų | 115 | 62 Ų | 62 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.4 | 179.7 | -176.4 | -177.9 | 175.8 | -175.7 | 0 | 110.3 | W104 F105 A107 | K84-W104 WeakPolarHBondContact O-CA 3.31Å; K84-F105 PolarHBondContact N-O 2.79Å; K84-F105 PolarHBondContact O-N 2.78Å; K84-F105 VanDerWaalsContact O-N 3.08Å; K84-A107 HydrophobicContact CB-CB 4Å |
| 85 | P | 92.7 | Very high | 75.7 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 10% | 0.104 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 140.7 | 173.8 | 28.8 | -33.2 | 0 | 0 | 0 | 111.4 | V23 G70 Y102 W104 | V23-P85 HydrophobicContact CG2-CB 4.09Å; V23-P85 HydrophobicContact CG2-CG 4.02Å; G70-P85 WeakPolarHBondContact O-CD 3.41Å; P85-Y102 HydrophobicContact CB-CD1 3.92Å; P85-W104 HydrophobicContact CB-CD2 4.31Å; P85-W104 HydrophobicContact CB-CG 4.49Å; P85-W104 HydrophobicContact CB-CZ2 4.19Å |
| 86 | L | 87.9 | Confident | 73.3 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132 | 168.6 | -81.6 | 164.8 | 0 | 0 | 0 | 108.5 | R103 F105 | L86-R103 PolarHBondContact N-O 3.33Å; L86-R103 PolarHBondContact O-N 2.84Å; L86-F105 HydrophobicContact CB-CD2 4.07Å; L86-F105 HydrophobicContact CB-CE2 3.89Å; L86-F105 HydrophobicContact CD1-CD2 3.62Å; L86-F105 HydrophobicContact CD1-CE2 3.89Å; L86-F105 HydrophobicContact CD1-CG 4.31Å; L86-F105 HydrophobicContact CG-CD2 4.26Å; L86-F105 HydrophobicContact CG-CE2 4.46Å |
| 87 | P | 85.1 | Confident | 71.3 | Confident | 85 Ų | 85 | 76.5 Ų | 76.5 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 143.3 | 176.4 | 29.8 | -33.7 | 0 | 0 | 0 | 110.5 | Y102 | P87-Y102 HydrophobicContact CB-CD1 4.25Å; P87-Y102 HydrophobicContact CB-CE1 3.8Å; P87-Y102 HydrophobicContact CG-CE1 4.42Å |
| 88 | L | 78.9 | Confident | 69.7 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -86 | 138 | 171.9 | -62 | 170.7 | 0 | 0 | 0 | 109.3 | N101 R103 | L88-N101 PolarHBondContact N-O 2.76Å; L88-R103 HydrophobicContact CD2-CB 4.1Å; L88-R103 HydrophobicContact CG-CB 4.43Å |
| 89 | S | 66.1 | Low | 68.6 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 58% | 0.58 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 141.8 | 178.5 | 50.7 | 0 | 0 | 0 | 0 | 112 | T91 | S89-T91 PolarHBondContact O-N 2.83Š|
| 90 | D | 54.6 | Low | 68 | Low | 122 Ų | 122 | 76.4 Ų | 76.4 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -58.9 | -5.4 | -170.4 | -63.5 | -53.5 | 0 | 0 | 0 | 116.8 | D92 S93 | D90-D92 PolarHBondContact O-N 2.91Å; D90-S93 PolarHBondContact O-N 2.95Å |
| 91 | T | 50.8 | Low | 67.5 | Low | 116 Ų | 116 | 79 Ų | 79 | 71% | 0.712 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -63.3 | -24.2 | 179.9 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | S89 | S89-T91 PolarHBondContact O-N 2.83Š|
| 92 | D | 46.5 | Very low | 67.2 | Low | 121 Ų | 121 | 78.8 Ų | 78.8 | 65% | 0.647 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -100.1 | -10.8 | -175.3 | -68.7 | -16.7 | 0 | 0 | 0 | 114 | D90 | D90-D92 PolarHBondContact O-N 2.91Š|
| 93 | S | 42.5 | Very low | 66.9 | Low | 44 Ų | 44 | 83.5 Ų | 83.5 | 31% | 0.308 | 46% | 0.458 | S | S | . | . | trans | -123.7 | 46.5 | -163.5 | 54.7 | 0 | 0 | 0 | 0 | 115.1 | D90 G95 | D90-S93 PolarHBondContact O-N 2.95Å; S93-G95 PolarHBondContact O-N 3.23Å | ||
| 94 | Q | 38.5 | Very low | 66.8 | Low | 187 Ų | 187 | 83.4 Ų | 83.4 | 87% | 0.874 | 46% | 0.457 | S | S | * | . | trans | -75.3 | 36.6 | 170.8 | -70 | -164.2 | -16.6 | 0 | 0 | 114.5 | ||||
| 95 | G | 38.4 | Very low | 66.7 | Low | 54 Ų | 54 | 82 Ų | 82 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -166.8 | 130.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S93 | S93-G95 PolarHBondContact O-N 3.23Š|
| 96 | E | 41.5 | Very low | 66.6 | Low | 151 Ų | 151 | 85.7 Ų | 85.7 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | trans | 69.4 | 80.4 | -178.4 | -55.7 | -169.4 | -176.4 | 0 | 0 | 115.4 | E98 T99 | E96-E98 PolarHBondContact O-N 2.81Å; E96-T99 PolarHBondContact O-OG1 2.93Å | ||
| 97 | S | 46.7 | Very low | 66.7 | Low | 104 Ų | 104 | 84.5 Ų | 84.5 | 73% | 0.727 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -2 | 177.3 | 55.5 | 0 | 0 | 0 | 0 | 116 | Q551 | S97-Q551 PolarHBondContact O-NE2 3.47Å; S97-Q551 PolarHBondContact O-OE1 2.89Å; S97-Q551 VanDerWaalsContact O-OE1 3.06Å |
| 98 | E | 52.4 | Low | 66.9 | Low | 123 Ų | 123 | 81.4 Ų | 81.4 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -3.3 | -174.4 | -61 | -172.8 | 157.6 | 0 | 0 | 114 | K45 E96 | K45-E98 IonicContact NZ-OE2 3.22Å; K45-E98 PolarHBondContact NZ-OE2 2.85Å; E96-E98 PolarHBondContact O-N 2.81Å |
| 99 | T | 62.2 | Low | 67.4 | Low | 48 Ų | 48 | 79.2 Ų | 79.2 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -95.5 | 151.2 | -170.6 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | E96 N101 | E96-T99 PolarHBondContact O-OG1 2.93Å; T99-N101 PolarHBondContact O-N 2.93Å; T99-N101 VanDerWaalsContact O-N 3.13Å; T99-N101 PolarHBondContact O-OD1 2.92Å |
| 100 | L | 75.8 | Confident | 68.6 | Low | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | trans | -77.3 | 95.3 | -178.2 | -175.2 | 67.5 | 0 | 0 | 0 | 110.5 | V23 I26 F28 D41 V47 Y102 W104 | V23-L100 HydrophobicContact CG1-CD1 3.92Å; I26-L100 HydrophobicContact CB-CD1 3.92Å; I26-L100 HydrophobicContact CD1-CD1 4.09Å; I26-L100 HydrophobicContact CG2-CD1 3.75Å; F28-L100 HydrophobicContact CB-CD2 3.7Å; D41-L100 HydrophobicContact CB-CB 4.14Å; V47-L100 HydrophobicContact CG1-CB 4.43Å; V47-L100 WeakPolarHBondContact CG1-O 3.47Å; V47-L100 HydrophobicContact CG2-CB 3.95Å; V47-L100 HydrophobicContact CG2-CD2 4.14Å; L100-Y102 HydrophobicContact CD1-CD2 3.9Å; L100-Y102 HydrophobicContact CG-CD2 4.27Å; L100-Y102 PolarHBondContact O-N 3.29Å; L100-W104 HydrophobicContact CD2-CH2 3.79Å; L100-W104 HydrophobicContact CD2-CZ3 4.4Å | ||
| 101 | N | 83.6 | Confident | 70.3 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | trans | -73.7 | 48.6 | -175.6 | -68.7 | -11.5 | 0 | 0 | 0 | 114.6 | L88 T99 | L88-N101 PolarHBondContact N-O 2.76Å; T99-N101 PolarHBondContact O-N 2.93Å; T99-N101 VanDerWaalsContact O-N 3.13Å; T99-N101 PolarHBondContact O-OD1 2.92Å | ||
| 102 | Y | 87.7 | Confident | 72 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 14% | 0.137 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.6 | 178.3 | -77.4 | -84.4 | 0 | 0 | 0 | 111.8 | V23 D24 P85 P87 L100 W104 | V23-Y102 HydrophobicContact CG1-CD2 3.87Å; V23-Y102 HydrophobicContact CG1-CE2 4.11Å; V23-Y102 HydrophobicContact CG1-CG 4.26Å; V23-Y102 HydrophobicContact CG2-CD1 3.96Å; V23-Y102 HydrophobicContact CG2-CD2 4.24Å; V23-Y102 HydrophobicContact CG2-CE1 3.74Å; V23-Y102 HydrophobicContact CG2-CE2 4.05Å; V23-Y102 HydrophobicContact CG2-CG 4.2Å; D24-Y102 VanDerWaalsContact CG-OH 3.28Å; D24-Y102 PolarHBondContact OD2-OH 2.61Å; P85-Y102 HydrophobicContact CB-CD1 3.92Å; P87-Y102 HydrophobicContact CB-CD1 4.25Å; P87-Y102 HydrophobicContact CB-CE1 3.8Å; P87-Y102 HydrophobicContact CG-CE1 4.42Å; L100-Y102 HydrophobicContact CD1-CD2 3.9Å; L100-Y102 HydrophobicContact CG-CD2 4.27Å; L100-Y102 PolarHBondContact O-N 3.29Å; Y102-W104 WeakPolarHBondContact O-CZ3 3.33Å |
| 103 | R | 88.2 | Confident | 73.8 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 39% | 0.389 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.8 | 169.7 | -169 | 171.9 | -176.5 | 169.3 | 4.6 | 110 | L86 L88 F105 | L86-R103 PolarHBondContact N-O 3.33Å; L86-R103 PolarHBondContact O-N 2.84Å; L88-R103 HydrophobicContact CD2-CB 4.1Å; L88-R103 HydrophobicContact CG-CB 4.43Å; R103-F105 HydrophobicContact CB-CE2 3.67Å; R103-F105 HydrophobicContact CB-CZ 4.04Å; R103-F105 HydrophobicContact CG-CD2 4.46Å; R103-F105 HydrophobicContact CG-CE1 4.46Å; R103-F105 HydrophobicContact CG-CE2 3.73Å; R103-F105 HydrophobicContact CG-CZ 3.75Å; R103-F105 VanDerWaalsContact O-CD2 3.3Å; R103-F105 WeakPolarHBondContact O-CD2 3.21Å; R103-F105 WeakPolarHBondContact O-CE2 3.44Å |
| 104 | W | 91.8 | Very high | 75.9 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.4 | 180 | -74.4 | -103 | 0 | 0 | 0 | 110.7 | V23 F28 I39 V47 Q48 I50 G70 I72 K84 P85 L100 Y102 | V23-W104 HydrophobicContact CG1-CH2 4.47Å; V23-W104 HydrophobicContact CG1-CZ2 4.36Å; F28-W104 HydrophobicContact CD1-CZ2 4.05Å; F28-W104 HydrophobicContact CD2-CH2 4.4Å; F28-W104 AromaticContact CD2-CZ2 3.94Å; F28-W104 HydrophobicContact CD2-CZ2 3.94Å; F28-W104 AromaticContact CE1-CZ2 3.95Å; F28-W104 HydrophobicContact CE1-CZ2 3.95Å; F28-W104 AromaticContact CE2-CZ2 3.84Å; F28-W104 HydrophobicContact CE2-CZ2 3.84Å; F28-W104 HydrophobicContact CG-CH2 4.3Å; F28-W104 HydrophobicContact CG-CZ2 4.04Å; F28-W104 AromaticContact CZ-CZ2 3.86Å; F28-W104 HydrophobicContact CZ-CZ2 3.86Å; I39-W104 HydrophobicContact CD1-CB 3.87Å; I39-W104 HydrophobicContact CD1-CD2 3.58Å; I39-W104 HydrophobicContact CD1-CE3 3.57Å; I39-W104 HydrophobicContact CD1-CG 3.73Å; I39-W104 HydrophobicContact CD1-CZ3 4.34Å; I39-W104 HydrophobicContact CG2-CE3 4.12Å; I39-W104 HydrophobicContact CG2-CH2 4Å; I39-W104 HydrophobicContact CG2-CZ2 4.47Å; I39-W104 HydrophobicContact CG2-CZ3 3.81Å; V47-W104 HydrophobicContact CG1-CZ3 4.15Å; Q48-W104 PolarHBondContact NE2-O 2.85Å; Q48-W104 PolarHBondContact OE1-O 2.81Å; I50-W104 HydrophobicContact CD1-CB 4.27Å; G70-W104 PolarHBondContact O-NE1 2.8Å; I72-W104 VanDerWaalsContact CD1-CD1 3.42Å; I72-W104 HydrophobicContact CD1-CD2 4.15Å; I72-W104 HydrophobicContact CD1-CG 3.84Å; K84-W104 WeakPolarHBondContact O-CA 3.31Å; P85-W104 HydrophobicContact CB-CD2 4.31Å; P85-W104 HydrophobicContact CB-CG 4.49Å; P85-W104 HydrophobicContact CB-CZ2 4.19Å; L100-W104 HydrophobicContact CD2-CH2 3.79Å; L100-W104 HydrophobicContact CD2-CZ3 4.4Å; Y102-W104 WeakPolarHBondContact O-CZ3 3.33Å |
| 105 | F | 89.9 | Confident | 78.2 | Confident | 86 Ų | 86 | 58.2 Ų | 58.2 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.6 | -179.1 | -59.1 | -98 | 0 | 0 | 0 | 109.6 | Y83 K84 L86 R103 A107 | Y83-F105 CarbonylContact C-O 3.11Å; Y83-F105 WeakPolarHBondContact CA-O 3.45Å; K84-F105 PolarHBondContact N-O 2.79Å; K84-F105 PolarHBondContact O-N 2.78Å; K84-F105 VanDerWaalsContact O-N 3.08Å; L86-F105 HydrophobicContact CB-CD2 4.07Å; L86-F105 HydrophobicContact CB-CE2 3.89Å; L86-F105 HydrophobicContact CD1-CD2 3.62Å; L86-F105 HydrophobicContact CD1-CE2 3.89Å; L86-F105 HydrophobicContact CD1-CG 4.31Å; L86-F105 HydrophobicContact CG-CD2 4.26Å; L86-F105 HydrophobicContact CG-CE2 4.46Å; R103-F105 HydrophobicContact CB-CE2 3.67Å; R103-F105 HydrophobicContact CB-CZ 4.04Å; R103-F105 HydrophobicContact CG-CD2 4.46Å; R103-F105 HydrophobicContact CG-CE1 4.46Å; R103-F105 HydrophobicContact CG-CE2 3.73Å; R103-F105 HydrophobicContact CG-CZ 3.75Å; R103-F105 VanDerWaalsContact O-CD2 3.3Å; R103-F105 WeakPolarHBondContact O-CD2 3.21Å; R103-F105 WeakPolarHBondContact O-CE2 3.44Å; F105-A107 PolarHBondContact O-N 3.3Å |
| 106 | E | 90.3 | Very high | 80.7 | Confident | 92 Ų | 92 | 55.7 Ų | 55.7 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 124.7 | 178.3 | -170.6 | 167.4 | 174.3 | 0 | 0 | 109.6 | R81 Y83 | R81-E106 VanDerWaalsContact CD-OE1 3.3Å; R81-E106 WeakPolarHBondContact CD-OE1 3.49Å; R81-E106 IonicContact NE-OE1 3.82Å; R81-E106 PolarHBondContact NE-OE1 2.81Å; R81-E106 IonicContact NE-OE2 3.78Å; R81-E106 PolarHBondContact NE-OE2 3.45Å; Y83-E106 HydrophobicContact CD1-CB 3.98Å; Y83-E106 HydrophobicContact CE1-CB 3.9Å; Y83-E106 HydrophobicContact CE1-CG 4.31Å |
| 107 | A | 88.8 | Confident | 82.9 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -29.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I82 K84 F105 | I82-A107 PolarHBondContact O-N 2.79Å; K84-A107 HydrophobicContact CB-CB 4Å; F105-A107 PolarHBondContact O-N 3.3Å |
| 108 | S | 89.6 | Confident | 85.1 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 154.7 | 177.8 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | I82 W184 | I82-S108 PolarHBondContact N-O 2.86Å; I82-S108 PolarHBondContact O-N 2.84Å; S108-W184 PolarHBondContact OG-NE1 3.45Å |
| 109 | A | 89.6 | Confident | 87.1 | Confident | 42 Ų | 42 | 39.5 Ų | 39.5 | 35% | 0.347 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 149.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | V80 R81 | V80-A109 VanDerWaalsContact O-CA 3.3Å; V80-A109 WeakPolarHBondContact O-CA 3.3Å; R81-A109 HydrophobicContact CG-CB 3.93Å |
| 110 | F | 91.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.2 | 175 | 55.5 | -91.8 | 0 | 0 | 0 | 111.9 | V80 I82 V112 L128 V130 F139 W184 | V80-F110 HydrophobicContact CB-CD2 4.33Å; V80-F110 HydrophobicContact CB-CE1 4.33Å; V80-F110 HydrophobicContact CB-CE2 3.86Å; V80-F110 HydrophobicContact CB-CZ 3.86Å; V80-F110 HydrophobicContact CG1-CE1 4.17Å; V80-F110 HydrophobicContact CG1-CE2 4.32Å; V80-F110 HydrophobicContact CG1-CZ 3.81Å; V80-F110 HydrophobicContact CG2-CE2 4.24Å; V80-F110 PolarHBondContact N-O 2.79Å; V80-F110 PolarHBondContact O-N 3.27Å; I82-F110 HydrophobicContact CD1-CE1 4.29Å; I82-F110 HydrophobicContact CG1-CE1 4.2Å; F110-V112 HydrophobicContact CD2-CG2 4.2Å; F110-V112 HydrophobicContact CE2-CG2 4.17Å; F110-L128 HydrophobicContact CZ-CD2 4.19Å; F110-V130 HydrophobicContact CE2-CG2 4.43Å; F110-V130 HydrophobicContact CZ-CG2 4.48Å; F110-F139 HydrophobicContact CD2-CD1 4.13Å; F110-F139 AromaticContact CD2-CE1 3.87Å; F110-F139 HydrophobicContact CD2-CE1 3.87Å; F110-F139 HydrophobicContact CD2-CZ 4.17Å; F110-F139 AromaticContact CE2-CD1 3.8Å; F110-F139 HydrophobicContact CE2-CD1 3.8Å; F110-F139 AromaticContact CE2-CD2 3.97Å; F110-F139 HydrophobicContact CE2-CD2 3.97Å; F110-F139 AromaticContact CE2-CE1 3.81Å; F110-F139 HydrophobicContact CE2-CE1 3.81Å; F110-F139 AromaticContact CE2-CE2 3.99Å; F110-F139 HydrophobicContact CE2-CE2 3.99Å; F110-F139 AromaticContact CE2-CG 3.87Å; F110-F139 HydrophobicContact CE2-CG 3.87Å; F110-F139 AromaticContact CE2-CZ 3.91Å; F110-F139 HydrophobicContact CE2-CZ 3.91Å; F110-F139 HydrophobicContact CZ-CB 4.32Å; F110-F139 HydrophobicContact CZ-CD1 4.23Å; F110-F139 HydrophobicContact CZ-CD2 4.35Å; F110-F139 HydrophobicContact CZ-CG 4.05Å; F110-W184 HydrophobicContact CD1-CB 4Å; F110-W184 AromaticContact CD1-CD1 3.74Å; F110-W184 AromaticContact CD1-CG 3.88Å; F110-W184 HydrophobicContact CD1-CG 3.88Å; F110-W184 HydrophobicContact CE1-CB 4.13Å; F110-W184 AromaticContact CE1-CD1 3.88Å; F110-W184 HydrophobicContact CE1-CD2 4.15Å; F110-W184 AromaticContact CE1-CG 3.79Å; F110-W184 HydrophobicContact CE1-CG 3.79Å |
| 111 | P | 90.4 | Very high | 89.5 | Confident | 83 Ų | 83 | 38.6 Ų | 38.6 | 54% | 0.539 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 155.2 | 173.9 | 30.9 | -34.1 | 0 | 0 | 0 | 111.9 | F79 | F79-P111 HydrophobicContact CD1-CB 4.46Å; F79-P111 HydrophobicContact CD2-CB 4.38Å; F79-P111 HydrophobicContact CE1-CB 3.98Å; F79-P111 HydrophobicContact CE1-CG 4.45Å; F79-P111 HydrophobicContact CE2-CB 3.88Å; F79-P111 HydrophobicContact CZ-CB 3.67Å; F79-P111 HydrophobicContact CZ-CG 4.32Å |
| 112 | V | 87.7 | Confident | 89.7 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 9% | 0.085 | 21% | 0.208 | C | C | . | . | trans | -131.3 | 154.5 | 174.3 | -170.3 | 0 | 0 | 0 | 0 | 107.7 | D78 V80 F110 S114 V116 V130 T132 | D78-V112 WeakPolarHBondContact O-CA 3.42Å; D78-V112 PolarHBondContact O-N 3.36Å; V80-V112 HydrophobicContact CG2-CG2 3.85Å; F110-V112 HydrophobicContact CD2-CG2 4.2Å; F110-V112 HydrophobicContact CE2-CG2 4.17Å; V112-S114 PolarHBondContact O-N 2.87Å; V112-V116 HydrophobicContact CB-CG2 4.13Å; V112-V116 HydrophobicContact CG1-CG2 4.16Å; V112-V116 HydrophobicContact CG2-CG2 4.17Å; V112-V130 HydrophobicContact CG1-CG1 4.3Å; V112-V130 HydrophobicContact CG2-CG1 4.3Å; V112-T132 HydrophobicContact CG1-CG2 3.53Å | ||
| 113 | S | 83.1 | Confident | 89.4 | Confident | 86 Ų | 86 | 36.5 Ų | 36.5 | 60% | 0.601 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -70.2 | -12.8 | -169.4 | 57.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 114 | S | 86.1 | Confident | 89 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 22% | 0.217 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -170 | 170.7 | -167.1 | 46.4 | 0 | 0 | 0 | 0 | 110.5 | V112 V116 T132 | V112-S114 PolarHBondContact O-N 2.87Å; S114-V116 PolarHBondContact O-N 3.48Å; S114-T132 WeakPolarHBondContact OG-CB 3.28Å |
| 115 | L | 87.7 | Confident | 88.7 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | trans | -45.6 | 122.4 | 177.5 | 174.6 | 62.1 | 0 | 0 | 0 | 112.7 | T61 Y77 T132 E133 V671 | T61-L115 HydrophobicContact CG2-CD1 3.67Å; Y77-L115 HydrophobicContact CD2-CD1 3.72Å; Y77-L115 HydrophobicContact CE2-CB 4.21Å; Y77-L115 HydrophobicContact CE2-CD1 4.03Å; Y77-L115 HydrophobicContact CG-CD1 4.44Å; Y77-L115 WeakPolarHBondContact O-CA 3.35Å; L115-T132 WeakPolarHBondContact O-CA 3.49Å; L115-T132 WeakPolarHBondContact O-CB 3.4Å; L115-E133 HydrophobicContact CB-CG 4.4Å; L115-E133 PolarHBondContact O-N 3.4Å; L115-V671 HydrophobicContact CD2-CG2 3.61Å | ||
| 116 | V | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 125.4 | 174 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | T61 A75 Y77 V80 V112 S114 L119 V130 S131 T132 | T61-V116 PolarHBondContact OG1-O 2.93Å; A75-V116 HydrophobicContact CB-CB 3.74Å; A75-V116 HydrophobicContact CB-CG1 3.62Å; A75-V116 HydrophobicContact CB-CG2 4.45Å; Y77-V116 PolarHBondContact O-N 2.85Å; V80-V116 HydrophobicContact CG2-CG2 4.12Å; V112-V116 HydrophobicContact CB-CG2 4.13Å; V112-V116 HydrophobicContact CG1-CG2 4.16Å; V112-V116 HydrophobicContact CG2-CG2 4.17Å; S114-V116 PolarHBondContact O-N 3.48Å; V116-L119 HydrophobicContact CG1-CD2 3.86Å; V116-L119 HydrophobicContact CG1-CG 4.15Å; V116-V130 HydrophobicContact CG1-CG1 3.88Å; V116-V130 HydrophobicContact CG2-CG1 3.85Å; V116-S131 CarbonylContact C-O 3.56Å; V116-S131 WeakPolarHBondContact CA-O 3.25Å; V116-T132 HydrophobicContact CG2-CG2 4.26Å |
| 117 | T | 88.7 | Confident | 88.6 | Confident | 25 Ų | 25 | 32 Ų | 32 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -36.8 | -173.3 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | N16 S131 E133 | N16-T117 PolarHBondContact ND2-O 3.38Å; T117-S131 PolarHBondContact N-O 2.94Å; T117-S131 PolarHBondContact OG1-O 2.98Å; T117-S131 PolarHBondContact OG1-OG 2.89Å; T117-E133 HydrophobicContact CG2-CG 4.22Å |
| 118 | C | 92.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 146.1 | -179.5 | -28.8 | 0 | 0 | 0 | 0 | 111.1 | N16 S131 R197 V199 | N16-C118 PolarHBondContact ND2-SG 2.89Å; C118-S131 VanDerWaalsContact CA-OG 3.28Å; C118-S131 WeakPolarHBondContact CA-OG 3.41Å; C118-S131 WeakPolarHBondContact CB-OG 3.34Å; C118-S131 PolarHBondContact N-OG 2.98Å; C118-S131 PolarHBondContact O-N 3.32Å; C118-S131 PolarHBondContact O-OG 3.25Å; C118-S131 PolarHBondContact SG-OG 2.98Å; C118-R197 PolarHBondContact SG-O 3.08Å; C118-V199 HydrophobicContact CB-CG1 3.84Å |
| 119 | L | 94.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.6 | 177.4 | -66.5 | 171.9 | 0 | 0 | 0 | 110.4 | A64 A73 A75 V80 V116 L128 L129 V130 | A64-L119 HydrophobicContact CB-CB 3.74Å; A73-L119 HydrophobicContact CB-CD1 3.94Å; A75-L119 HydrophobicContact CB-CD1 4.07Å; V80-L119 HydrophobicContact CG2-CD2 4.37Å; V116-L119 HydrophobicContact CG1-CD2 3.86Å; V116-L119 HydrophobicContact CG1-CG 4.15Å; L119-L128 HydrophobicContact CB-CD1 4.49Å; L119-L129 WeakPolarHBondContact CA-O 3.39Å; L119-V130 HydrophobicContact CD2-CB 4.33Å; L119-V130 HydrophobicContact CD2-CG1 4.17Å; L119-V130 HydrophobicContact CD2-CG2 3.87Å |
| 120 | S | 94.6 | Very high | 89.4 | Confident | 16 Ų | 16 | 26 Ų | 26 | 11% | 0.112 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 128.5 | 174.7 | -152.5 | 0 | 0 | 0 | 0 | 113.2 | L129 | S120-L129 PolarHBondContact N-O 3.05Å; S120-L129 PolarHBondContact O-N 3.38Å |
| 121 | W | 92.9 | Very high | 89.5 | Confident | 24 Ų | 24 | 25.8 Ų | 25.8 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 149.2 | -178.2 | -75.3 | 114.4 | 0 | 0 | 0 | 113.3 | A64 G65 C66 K71 A73 I82 G125 L128 W184 F201 | A64-W121 PolarHBondContact O-NE1 3.37Å; G65-W121 VanDerWaalsContact C-CD1 3.47Å; C66-W121 HydrophobicContact CB-CB 4.4Å; C66-W121 HydrophobicContact CB-CD2 4.32Å; C66-W121 HydrophobicContact CB-CG 3.99Å; K71-W121 HydrophobicContact CB-CH2 4.33Å; K71-W121 HydrophobicContact CB-CZ2 4.01Å; K71-W121 HydrophobicContact CD-CH2 4.43Å; A73-W121 HydrophobicContact CB-CH2 4.41Å; A73-W121 HydrophobicContact CB-CZ2 3.58Å; I82-W121 HydrophobicContact CD1-CH2 3.85Å; I82-W121 HydrophobicContact CD1-CZ2 4.13Å; I82-W121 HydrophobicContact CG1-CH2 4.48Å; I82-W121 HydrophobicContact CG2-CH2 3.79Å; I82-W121 HydrophobicContact CG2-CZ2 4.16Å; W121-G125 VanDerWaalsContact CE3-CA 3.47Å; W121-G125 WeakPolarHBondContact CZ3-O 3.35Å; W121-L128 HydrophobicContact CD2-CD1 3.82Å; W121-L128 HydrophobicContact CE3-CB 3.96Å; W121-L128 HydrophobicContact CE3-CD1 3.86Å; W121-L128 HydrophobicContact CE3-CG 4.41Å; W121-L128 HydrophobicContact CG-CD1 4.3Å; W121-L128 HydrophobicContact CH2-CD2 4.32Å; W121-L128 HydrophobicContact CZ2-CD1 4.49Å; W121-L128 HydrophobicContact CZ3-CB 3.83Å; W121-L128 HydrophobicContact CZ3-CD1 4.22Å; W121-L128 HydrophobicContact CZ3-CD2 4.4Å; W121-L128 HydrophobicContact CZ3-CG 4.38Å; W121-W184 HydrophobicContact CH2-CH2 4.21Å; W121-W184 HydrophobicContact CH2-CZ2 4.47Å; W121-W184 AromaticContact CZ3-CH2 3.8Å; W121-W184 HydrophobicContact CZ3-CH2 3.8Å; W121-W184 HydrophobicContact CZ3-CZ2 4.5Å; W121-F201 VanDerWaalsContact O-CD2 3.27Å; W121-F201 WeakPolarHBondContact O-CD2 3.47Å |
| 122 | N | 87.8 | Confident | 89.5 | Confident | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.064 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 166.9 | 168.3 | -166.1 | -2.4 | 0 | 0 | 0 | 110.7 | G125 F126 R127 F201 G205 | N122-G125 WeakPolarHBondContact O-CA 3.44Å; N122-G125 PolarHBondContact O-N 2.86Å; N122-G125 VanDerWaalsContact O-N 3.1Å; N122-F126 PolarHBondContact O-N 2.87Å; N122-R127 HydrophobicContact CB-CB 4.48Å; N122-R127 PolarHBondContact N-O 3.06Å; N122-R127 PolarHBondContact O-N 2.81Å; N122-R127 VanDerWaalsContact O-O 3.07Å; N122-F201 HydrophobicContact CB-CD1 3.97Å; N122-F201 HydrophobicContact CB-CD2 3.79Å; N122-F201 HydrophobicContact CB-CE1 3.93Å; N122-F201 HydrophobicContact CB-CE2 3.71Å; N122-F201 HydrophobicContact CB-CG 3.92Å; N122-F201 HydrophobicContact CB-CZ 3.79Å; N122-F201 WeakPolarHBondContact ND2-CD1 3.46Å; N122-F201 WeakPolarHBondContact ND2-CE1 3.44Å; N122-G205 PolarHBondContact ND2-O 3.41Å; N122-G205 WeakPolarHBondContact OD1-CA 3.12Å |
| 123 | L | 81 | Confident | 89.5 | Confident | 36 Ų | 36 | 25.9 Ų | 25.9 | 19% | 0.188 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | 51.8 | 64.5 | 173.8 | -60.7 | 171.7 | 0 | 0 | 0 | 112.9 | G125 F126 R127 L144 | L123-G125 PolarHBondContact O-N 2.8Å; L123-F126 WeakPolarHBondContact O-CB 3.4Å; L123-F126 VanDerWaalsContact O-CD2 3.3Å; L123-F126 WeakPolarHBondContact O-CD2 3.47Å; L123-F126 PolarHBondContact O-N 2.79Å; L123-R127 HydrophobicContact CB-CB 4.44Å; L123-R127 HydrophobicContact CD1-CB 4.07Å; L123-L144 HydrophobicContact CD1-CD2 4.19Å |
| 124 | D | 81.5 | Confident | 89.7 | Confident | 86 Ų | 86 | 24.2 Ų | 24.2 | 46% | 0.46 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | 53.6 | 23.5 | -178 | -69.3 | -63.3 | 0 | 0 | 0 | 113.8 | E68 S69 K71 F126 | E68-D124 WeakPolarHBondContact CB-OD1 3.26Å; E68-D124 VanDerWaalsContact OE2-CA 3.29Å; E68-D124 WeakPolarHBondContact OE2-CA 3.41Å; E68-D124 PolarHBondContact OE2-N 3.06Å; S69-D124 WeakPolarHBondContact CB-O 3.42Å; S69-D124 PolarHBondContact OG-O 3.22Å; K71-D124 PolarHBondContact NZ-O 2.91Å; K71-D124 VanDerWaalsContact NZ-O 3.09Å; D124-F126 HydrophobicContact CB-CD2 4.01Å; D124-F126 HydrophobicContact CB-CE2 4.15Å |
| 125 | G | 83.9 | Confident | 90 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | 68 | 31 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K71 W121 N122 L123 | K71-G125 WeakPolarHBondContact CD-O 3.41Å; K71-G125 VanDerWaalsContact NZ-C 3.26Å; K71-G125 PolarHBondContact NZ-O 2.81Å; W121-G125 VanDerWaalsContact CE3-CA 3.47Å; W121-G125 WeakPolarHBondContact CZ3-O 3.35Å; N122-G125 WeakPolarHBondContact O-CA 3.44Å; N122-G125 PolarHBondContact O-N 2.86Å; N122-G125 VanDerWaalsContact O-N 3.1Å; L123-G125 PolarHBondContact O-N 2.8Å |
| 126 | F | 88.9 | Confident | 90.4 | Very high | 72 Ų | 72 | 26.4 Ų | 26.4 | 32% | 0.316 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -10.6 | 165.2 | -71.3 | -76.8 | 0 | 0 | 0 | 112.7 | N122 L123 D124 H141 L144 W184 | N122-F126 PolarHBondContact O-N 2.87Å; L123-F126 WeakPolarHBondContact O-CB 3.4Å; L123-F126 VanDerWaalsContact O-CD2 3.3Å; L123-F126 WeakPolarHBondContact O-CD2 3.47Å; L123-F126 PolarHBondContact O-N 2.79Å; D124-F126 HydrophobicContact CB-CD2 4.01Å; D124-F126 HydrophobicContact CB-CE2 4.15Å; F126-H141 HydrophobicContact CD1-CB 4.19Å; F126-H141 PolarHBondContact O-N 2.89Å; F126-L144 HydrophobicContact CB-CD1 4.21Å; F126-L144 HydrophobicContact CG-CD1 4.41Å; F126-W184 WeakPolarHBondContact O-CZ3 3.25Å |
| 127 | R | 90.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 11% | 0.113 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.7 | 175.4 | -172.1 | 176 | -72.7 | -179.8 | 2.9 | 110.2 | N122 L123 M138 F139 Y237 | N122-R127 HydrophobicContact CB-CB 4.48Å; N122-R127 PolarHBondContact N-O 3.06Å; N122-R127 PolarHBondContact O-N 2.81Å; N122-R127 VanDerWaalsContact O-O 3.07Å; L123-R127 HydrophobicContact CB-CB 4.44Å; L123-R127 HydrophobicContact CD1-CB 4.07Å; R127-M138 VanDerWaalsContact CD-SD 3.57Å; R127-M138 HydrophobicContact CG-CG 3.66Å; R127-M138 HydrophobicContact CG-SD 3.52Å; R127-M138 VanDerWaalsContact CG-SD 3.52Å; R127-F139 CarbonylContact C-O 3.55Å; R127-F139 WeakPolarHBondContact CA-O 3.35Å; R127-Y237 PolarHBondContact NH1-OH 3Å |
| 128 | L | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.1 | -178 | 179.3 | 63.3 | 0 | 0 | 0 | 109.5 | A73 V80 I82 F110 L119 W121 V130 F139 W184 | A73-L128 HydrophobicContact CB-CD1 4.14Å; A73-L128 HydrophobicContact CB-CD2 3.88Å; V80-L128 HydrophobicContact CG1-CD2 4.12Å; I82-L128 HydrophobicContact CD1-CD2 3.64Å; F110-L128 HydrophobicContact CZ-CD2 4.19Å; L119-L128 HydrophobicContact CB-CD1 4.49Å; W121-L128 HydrophobicContact CD2-CD1 3.82Å; W121-L128 HydrophobicContact CE3-CB 3.96Å; W121-L128 HydrophobicContact CE3-CD1 3.86Å; W121-L128 HydrophobicContact CE3-CG 4.41Å; W121-L128 HydrophobicContact CG-CD1 4.3Å; W121-L128 HydrophobicContact CH2-CD2 4.32Å; W121-L128 HydrophobicContact CZ2-CD1 4.49Å; W121-L128 HydrophobicContact CZ3-CB 3.83Å; W121-L128 HydrophobicContact CZ3-CD1 4.22Å; W121-L128 HydrophobicContact CZ3-CD2 4.4Å; W121-L128 HydrophobicContact CZ3-CG 4.38Å; L128-V130 HydrophobicContact CD2-CG2 4.15Å; L128-V130 HydrophobicContact CG-CG2 4.02Å; L128-F139 PolarHBondContact N-O 2.91Å; L128-F139 PolarHBondContact O-N 2.9Å; L128-W184 HydrophobicContact CB-CZ3 4.31Å |
| 129 | L | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.9 | 170.9 | -165.9 | 81.1 | 0 | 0 | 0 | 108.7 | L119 S120 L136 Q137 M138 W188 V199 F201 F208 | L119-L129 WeakPolarHBondContact CA-O 3.39Å; S120-L129 PolarHBondContact N-O 3.05Å; S120-L129 PolarHBondContact O-N 3.38Å; L129-L136 HydrophobicContact CD1-CD1 4.16Å; L129-L136 HydrophobicContact CD1-CD2 4.42Å; L129-L136 HydrophobicContact CD1-CG 4.1Å; L129-L136 HydrophobicContact CD2-CD1 3.95Å; L129-L136 HydrophobicContact CD2-CD2 4.44Å; L129-L136 HydrophobicContact CG-CD1 3.83Å; L129-L136 HydrophobicContact CG-CG 4.33Å; L129-Q137 WeakPolarHBondContact CA-O 3.41Å; L129-M138 HydrophobicContact CB-SD 4.18Å; L129-M138 HydrophobicContact CD1-CB 4.5Å; L129-M138 HydrophobicContact CD1-CE 3.53Å; L129-M138 HydrophobicContact CD1-SD 3.63Å; L129-W188 HydrophobicContact CD1-CZ3 4.3Å; L129-V199 HydrophobicContact CD2-CB 4.31Å; L129-V199 HydrophobicContact CD2-CG1 4.01Å; L129-V199 HydrophobicContact CD2-CG2 3.32Å; L129-F201 HydrophobicContact CB-CE2 3.71Å; L129-F201 HydrophobicContact CB-CZ 4.01Å; L129-F201 HydrophobicContact CD2-CE2 4.42Å; L129-F208 HydrophobicContact CD1-CE2 4.44Å; L129-F208 HydrophobicContact CD1-CZ 4.3Å; L129-F208 HydrophobicContact CD2-CD2 3.96Å; L129-F208 HydrophobicContact CD2-CE2 4.17Å; L129-F208 HydrophobicContact CD2-CG 4.38Å |
| 130 | V | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.3 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | V80 F110 V112 V116 L119 L128 Q137 F139 | V80-V130 HydrophobicContact CG2-CG1 4.36Å; F110-V130 HydrophobicContact CE2-CG2 4.43Å; F110-V130 HydrophobicContact CZ-CG2 4.48Å; V112-V130 HydrophobicContact CG1-CG1 4.3Å; V112-V130 HydrophobicContact CG2-CG1 4.3Å; V116-V130 HydrophobicContact CG1-CG1 3.88Å; V116-V130 HydrophobicContact CG2-CG1 3.85Å; L119-V130 HydrophobicContact CD2-CB 4.33Å; L119-V130 HydrophobicContact CD2-CG1 4.17Å; L119-V130 HydrophobicContact CD2-CG2 3.87Å; L128-V130 HydrophobicContact CD2-CG2 4.15Å; L128-V130 HydrophobicContact CG-CG2 4.02Å; V130-Q137 PolarHBondContact N-O 2.81Å; V130-Q137 PolarHBondContact O-N 3.23Å; V130-F139 HydrophobicContact CB-CD2 4.05Å; V130-F139 HydrophobicContact CB-CE2 3.98Å; V130-F139 HydrophobicContact CG2-CD2 3.61Å; V130-F139 HydrophobicContact CG2-CE2 3.92Å |
| 131 | S | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.6 | 173 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | V116 T117 C118 | V116-S131 CarbonylContact C-O 3.56Å; V116-S131 WeakPolarHBondContact CA-O 3.25Å; T117-S131 PolarHBondContact N-O 2.94Å; T117-S131 PolarHBondContact OG1-O 2.98Å; T117-S131 PolarHBondContact OG1-OG 2.89Å; C118-S131 VanDerWaalsContact CA-OG 3.28Å; C118-S131 WeakPolarHBondContact CA-OG 3.41Å; C118-S131 WeakPolarHBondContact CB-OG 3.34Å; C118-S131 PolarHBondContact N-OG 2.98Å; C118-S131 PolarHBondContact O-N 3.32Å; C118-S131 PolarHBondContact O-OG 3.25Å; C118-S131 PolarHBondContact SG-OG 2.98Å |
| 132 | T | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 176 | 172.8 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | V112 S114 L115 V116 A134 K135 L192 | V112-T132 HydrophobicContact CG1-CG2 3.53Å; S114-T132 WeakPolarHBondContact OG-CB 3.28Å; L115-T132 WeakPolarHBondContact O-CA 3.49Å; L115-T132 WeakPolarHBondContact O-CB 3.4Å; V116-T132 HydrophobicContact CG2-CG2 4.26Å; T132-A134 PolarHBondContact O-N 2.85Å; T132-K135 PolarHBondContact N-O 2.87Å; T132-K135 PolarHBondContact OG1-N 2.85Å; T132-K135 PolarHBondContact OG1-O 2.9Å; T132-L192 VanDerWaalsContact O-CD1 3.27Å; T132-L192 WeakPolarHBondContact O-CD1 3.24Å |
| 133 | E | 86.5 | Confident | 89.5 | Confident | 99 Ų | 99 | 31.9 Ų | 31.9 | 46% | 0.463 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -57.9 | -31.7 | 177.1 | -60.8 | -173.6 | 145.7 | 0 | 0 | 114 | L115 T117 | L115-E133 HydrophobicContact CB-CG 4.4Å; L115-E133 PolarHBondContact O-N 3.4Å; T117-E133 HydrophobicContact CG2-CG 4.22Å |
| 134 | A | 88.1 | Confident | 89.2 | Confident | 51 Ų | 51 | 32.4 Ų | 32.4 | 42% | 0.421 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -115.1 | -18.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T132 L192 | T132-A134 PolarHBondContact O-N 2.85Å; A134-L192 PolarHBondContact O-N 3.42Å |
| 135 | K | 92.6 | Very high | 88.6 | Confident | 91 Ų | 91 | 30 Ų | 30 | 40% | 0.396 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.1 | -174.5 | -65 | -179 | -176.4 | 174.2 | 0 | 112.7 | T132 Q137 S190 L192 | T132-K135 PolarHBondContact N-O 2.87Å; T132-K135 PolarHBondContact OG1-N 2.85Å; T132-K135 PolarHBondContact OG1-O 2.9Å; K135-Q137 HydrophobicContact CB-CG 4.4Å; K135-S190 WeakPolarHBondContact CA-O 3.24Å; K135-L192 VanDerWaalsContact C-CD1 3.5Å |
| 136 | L | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.7 | 162.5 | -169.7 | 61.7 | 0 | 0 | 0 | 108.5 | L129 W188 S189 S190 L192 L196 F208 | L129-L136 HydrophobicContact CD1-CD1 4.16Å; L129-L136 HydrophobicContact CD1-CD2 4.42Å; L129-L136 HydrophobicContact CD1-CG 4.1Å; L129-L136 HydrophobicContact CD2-CD1 3.95Å; L129-L136 HydrophobicContact CD2-CD2 4.44Å; L129-L136 HydrophobicContact CG-CD1 3.83Å; L129-L136 HydrophobicContact CG-CG 4.33Å; L136-W188 HydrophobicContact CB-CZ3 4.4Å; L136-W188 HydrophobicContact CD2-CH2 4.04Å; L136-W188 HydrophobicContact CD2-CZ3 3.9Å; L136-W188 HydrophobicContact CG-CH2 4.46Å; L136-W188 HydrophobicContact CG-CZ3 3.94Å; L136-S189 CarbonylContact O-C 3.11Å; L136-S189 VanDerWaalsContact O-CA 3.3Å; L136-S189 WeakPolarHBondContact O-CA 3.39Å; L136-S189 PolarHBondContact O-OG 2.99Å; L136-S190 PolarHBondContact N-O 2.68Å; L136-S190 PolarHBondContact O-N 3.03Å; L136-L192 HydrophobicContact CB-CD1 4.33Å; L136-L192 HydrophobicContact CB-CD2 4.16Å; L136-L192 HydrophobicContact CB-CG 4.25Å; L136-L196 HydrophobicContact CD1-CD1 3.93Å; L136-L196 HydrophobicContact CD2-CD1 4.38Å; L136-F208 HydrophobicContact CD2-CE2 3.75Å; L136-F208 HydrophobicContact CD2-CZ 4.35Å |
| 137 | Q | 93.6 | Very high | 86.2 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.5 | -176.4 | -68.4 | -176.6 | -89 | 0 | 0 | 110.8 | L129 V130 K135 F139 C186 W188 S189 | L129-Q137 WeakPolarHBondContact CA-O 3.41Å; V130-Q137 PolarHBondContact N-O 2.81Å; V130-Q137 PolarHBondContact O-N 3.23Å; K135-Q137 HydrophobicContact CB-CG 4.4Å; Q137-F139 HydrophobicContact CB-CD2 4.23Å; Q137-F139 HydrophobicContact CB-CE2 3.66Å; Q137-F139 HydrophobicContact CB-CZ 4.45Å; Q137-C186 PolarHBondContact NE2-SG 2.52Å; Q137-C186 VanDerWaalsContact NE2-SG 3.39Å; Q137-W188 WeakPolarHBondContact CA-O 3.37Å; Q137-S189 WeakPolarHBondContact CG-OG 3.35Å |
| 138 | M | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.3 | 171.4 | -164.5 | 78.1 | 74.1 | 0 | 0 | 108.9 | R127 L129 C186 V187 W188 F201 F208 Y237 | R127-M138 VanDerWaalsContact CD-SD 3.57Å; R127-M138 HydrophobicContact CG-CG 3.66Å; R127-M138 HydrophobicContact CG-SD 3.52Å; R127-M138 VanDerWaalsContact CG-SD 3.52Å; L129-M138 HydrophobicContact CB-SD 4.18Å; L129-M138 HydrophobicContact CD1-CB 4.5Å; L129-M138 HydrophobicContact CD1-CE 3.53Å; L129-M138 HydrophobicContact CD1-SD 3.63Å; M138-C186 CarbonylContact O-C 3.59Å; M138-C186 WeakPolarHBondContact O-CA 3.04Å; M138-V187 HydrophobicContact CB-CG2 4.1Å; M138-V187 HydrophobicContact CG-CG2 3.96Å; M138-V187 PolarHBondContact O-N 2.78Å; M138-W188 HydrophobicContact CB-CB 3.92Å; M138-W188 HydrophobicContact CB-CE3 4.14Å; M138-W188 PolarHBondContact N-O 2.78Å; M138-F201 HydrophobicContact CE-CE1 4.25Å; M138-F201 HydrophobicContact CE-CZ 3.87Å; M138-F201 HydrophobicContact SD-CZ 3.85Å; M138-F208 HydrophobicContact CE-CD1 4.43Å; M138-F208 HydrophobicContact CE-CE1 3.91Å; M138-Y237 HydrophobicContact CE-CE2 3.93Å |
| 139 | F | 93 | Very high | 82.7 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139 | 173 | -70.7 | -94 | 0 | 0 | 0 | 110.1 | F110 R127 L128 V130 Q137 W184 D185 C186 | F110-F139 HydrophobicContact CD2-CD1 4.13Å; F110-F139 AromaticContact CD2-CE1 3.87Å; F110-F139 HydrophobicContact CD2-CE1 3.87Å; F110-F139 HydrophobicContact CD2-CZ 4.17Å; F110-F139 AromaticContact CE2-CD1 3.8Å; F110-F139 HydrophobicContact CE2-CD1 3.8Å; F110-F139 AromaticContact CE2-CD2 3.97Å; F110-F139 HydrophobicContact CE2-CD2 3.97Å; F110-F139 AromaticContact CE2-CE1 3.81Å; F110-F139 HydrophobicContact CE2-CE1 3.81Å; F110-F139 AromaticContact CE2-CE2 3.99Å; F110-F139 HydrophobicContact CE2-CE2 3.99Å; F110-F139 AromaticContact CE2-CG 3.87Å; F110-F139 HydrophobicContact CE2-CG 3.87Å; F110-F139 AromaticContact CE2-CZ 3.91Å; F110-F139 HydrophobicContact CE2-CZ 3.91Å; F110-F139 HydrophobicContact CZ-CB 4.32Å; F110-F139 HydrophobicContact CZ-CD1 4.23Å; F110-F139 HydrophobicContact CZ-CD2 4.35Å; F110-F139 HydrophobicContact CZ-CG 4.05Å; R127-F139 CarbonylContact C-O 3.55Å; R127-F139 WeakPolarHBondContact CA-O 3.35Å; L128-F139 PolarHBondContact N-O 2.91Å; L128-F139 PolarHBondContact O-N 2.9Å; V130-F139 HydrophobicContact CB-CD2 4.05Å; V130-F139 HydrophobicContact CB-CE2 3.98Å; V130-F139 HydrophobicContact CG2-CD2 3.61Å; V130-F139 HydrophobicContact CG2-CE2 3.92Å; Q137-F139 HydrophobicContact CB-CD2 4.23Å; Q137-F139 HydrophobicContact CB-CE2 3.66Å; Q137-F139 HydrophobicContact CB-CZ 4.45Å; F139-W184 HydrophobicContact CB-CE3 4.09Å; F139-W184 HydrophobicContact CD1-CB 4.38Å; F139-D185 CarbonylContact C-O 3.58Å; F139-D185 VanDerWaalsContact CA-O 3.29Å; F139-D185 WeakPolarHBondContact CA-O 3.41Å; F139-C186 HydrophobicContact CD1-CB 4.21Å; F139-C186 HydrophobicContact CE1-CB 3.93Å; F139-C186 HydrophobicContact CZ-CB 4.33Å |
| 140 | Q | 90.6 | Very high | 80.7 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.1 | 179 | -178.8 | 170.1 | -70.4 | 0 | 0 | 110 | L144 T145 W184 D185 V187 | Q140-L144 HydrophobicContact CG-CB 3.94Å; Q140-L144 HydrophobicContact CG-CD2 4.02Å; Q140-T145 PolarHBondContact NE2-OG1 2.88Å; Q140-T145 VanDerWaalsContact NE2-OG1 3.11Å; Q140-W184 VanDerWaalsContact C-CE3 3.5Å; Q140-W184 CarbonylContact O-C 3.44Å; Q140-W184 WeakPolarHBondContact O-CA 3.33Å; Q140-D185 PolarHBondContact N-O 3.41Å; Q140-D185 PolarHBondContact O-N 3.38Å; Q140-V187 HydrophobicContact CB-CB 4.46Å; Q140-V187 HydrophobicContact CB-CG1 3.73Å; Q140-V187 HydrophobicContact CB-CG2 3.83Å |
| 141 | H | 89.7 | Confident | 78.4 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 137.9 | 179.2 | -172.1 | -83.2 | 0 | 0 | 0 | 111.2 | F126 A143 L144 W184 | F126-H141 HydrophobicContact CD1-CB 4.19Å; F126-H141 PolarHBondContact O-N 2.89Å; H141-A143 WeakPolarHBondContact ND1-CB 3.48Å; H141-A143 PolarHBondContact ND1-N 2.82Å; H141-A143 PolarHBondContact O-N 3.26Å; H141-A143 VanDerWaalsContact O-N 3.07Å; H141-L144 PolarHBondContact O-N 2.89Å; H141-W184 HydrophobicContact CB-CD2 4.29Å; H141-W184 HydrophobicContact CB-CE3 4.07Å; H141-W184 HydrophobicContact CB-CH2 3.92Å; H141-W184 HydrophobicContact CB-CZ2 4.16Å; H141-W184 HydrophobicContact CB-CZ3 3.89Å; H141-W184 AromaticContact CD2-CE2 3.78Å; H141-W184 AromaticContact CD2-CZ2 3.76Å; H141-W184 AromaticContact CD2-NE1 3.99Å |
| 142 | H | 83.9 | Confident | 75.9 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -49.6 | -40.3 | -174.4 | 72.9 | 94.4 | 0 | 0 | 0 | 114 | L144 T145 E146 A183 | H142-L144 PolarHBondContact O-N 2.63Å; H142-T145 CarbonylContact O-C 3.45Å; H142-T145 WeakPolarHBondContact O-CA 3.39Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 3.43Å; H142-E146 IonicContact CE1-OE1 2.69Å; H142-E146 IonicContact CG-OE1 3.94Å; H142-E146 IonicContact ND1-OE1 3.82Å; H142-E146 PolarHBondContact ND1-OE1 3.49Å; H142-E146 PolarHBondContact O-N 3.43Å; H142-A183 PolarHBondContact CD2-O 3.42Å; H142-A183 PolarHBondContact N-O 2.85Å |
| 143 | A | 78.9 | Confident | 73.5 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.5 | -20.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H141 | H141-A143 WeakPolarHBondContact ND1-CB 3.48Å; H141-A143 PolarHBondContact ND1-N 2.82Å; H141-A143 PolarHBondContact O-N 3.26Å; H141-A143 VanDerWaalsContact O-N 3.07Å |
| 144 | L | 75.2 | Confident | 71.6 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -88.1 | -35.2 | 170.3 | -150.3 | 86.6 | 0 | 0 | 0 | 111.5 | L123 F126 Q140 H141 H142 Y147 C148 | L123-L144 HydrophobicContact CD1-CD2 4.19Å; F126-L144 HydrophobicContact CB-CD1 4.21Å; F126-L144 HydrophobicContact CG-CD1 4.41Å; Q140-L144 HydrophobicContact CG-CB 3.94Å; Q140-L144 HydrophobicContact CG-CD2 4.02Å; H141-L144 PolarHBondContact O-N 2.89Å; H142-L144 PolarHBondContact O-N 2.63Å; L144-Y147 WeakPolarHBondContact O-CB 3.37Å; L144-Y147 PolarHBondContact O-N 3.01Å; L144-C148 PolarHBondContact O-N 3.07Å; L144-C148 PolarHBondContact O-SG 3.11Å; L144-C148 VanDerWaalsContact O-SG 3.33Å |
| 145 | T | 70.1 | Confident | 69.3 | Low | 37 Ų | 37 | 64.1 Ų | 64.1 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.8 | -46.3 | 178.8 | -49 | 0 | 0 | 0 | 0 | 112.2 | Q140 H142 Y147 C148 T149 D185 | Q140-T145 PolarHBondContact NE2-OG1 2.88Å; Q140-T145 VanDerWaalsContact NE2-OG1 3.11Å; H142-T145 CarbonylContact O-C 3.45Å; H142-T145 WeakPolarHBondContact O-CA 3.39Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 3.43Å; T145-Y147 PolarHBondContact O-N 2.66Å; T145-C148 PolarHBondContact O-N 3.49Å; T145-T149 WeakPolarHBondContact O-CG2 3.48Å; T145-T149 PolarHBondContact O-N 2.81Å; T145-T149 PolarHBondContact O-OG1 3.29Å; T145-D185 PolarHBondContact OG1-OD2 2.86Å |
| 146 | E | 63.4 | Low | 66.4 | Low | 107 Ų | 107 | 70.2 Ų | 70.2 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.3 | -37.3 | 169.3 | -73.2 | 170.3 | -144.3 | 0 | 0 | 111.2 | H142 T149 L150 | H142-E146 IonicContact CE1-OE1 2.69Å; H142-E146 IonicContact CG-OE1 3.94Å; H142-E146 IonicContact ND1-OE1 3.82Å; H142-E146 PolarHBondContact ND1-OE1 3.49Å; H142-E146 PolarHBondContact O-N 3.43Å; E146-T149 WeakPolarHBondContact CA-OG1 3.38Å; E146-T149 PolarHBondContact O-OG1 3.47Å; E146-T149 VanDerWaalsContact O-OG1 3.1Å; E146-L150 WeakPolarHBondContact O-CB 3.49Å; E146-L150 WeakPolarHBondContact O-CD1 3.42Å; E146-L150 VanDerWaalsContact O-CG 3.26Å; E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 3.25Å |
| 147 | Y | 58.9 | Low | 63.4 | Low | 84 Ų | 84 | 78.8 Ų | 78.8 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.4 | -50.7 | 178 | -159.2 | -76.4 | 0 | 0 | 0 | 112.1 | L144 T145 T149 L150 T151 P301 | L144-Y147 WeakPolarHBondContact O-CB 3.37Å; L144-Y147 PolarHBondContact O-N 3.01Å; T145-Y147 PolarHBondContact O-N 2.66Å; Y147-T149 PolarHBondContact O-N 2.81Å; Y147-L150 PolarHBondContact O-N 2.7Å; Y147-T151 HydrophobicContact CE1-CG2 3.56Å; Y147-T151 PolarHBondContact O-N 3.25Å; Y147-T151 PolarHBondContact O-OG1 3.19Å; Y147-P301 HydrophobicContact CD1-CB 4.05Å; Y147-P301 HydrophobicContact CD1-CG 3.55Å; Y147-P301 HydrophobicContact CD2-CG 4.07Å; Y147-P301 HydrophobicContact CE1-CB 3.25Å; Y147-P301 HydrophobicContact CE1-CG 3.3Å; Y147-P301 HydrophobicContact CE2-CB 3.87Å; Y147-P301 HydrophobicContact CE2-CG 3.81Å; Y147-P301 HydrophobicContact CG-CG 4Å; Y147-P301 VanDerWaalsContact CZ-CG 3.49Å; Y147-P301 VanDerWaalsContact OH-CB 3.25Å; Y147-P301 WeakPolarHBondContact OH-CB 3.48Å |
| 148 | C | 56.3 | Low | 60.5 | Low | 46 Ų | 46 | 89.3 Ų | 89.3 | 31% | 0.311 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | -179.6 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | L144 T145 L150 T151 E152 | L144-C148 PolarHBondContact O-N 3.07Å; L144-C148 PolarHBondContact O-SG 3.11Å; L144-C148 VanDerWaalsContact O-SG 3.33Å; T145-C148 PolarHBondContact O-N 3.49Å; C148-L150 PolarHBondContact O-N 2.93Å; C148-T151 PolarHBondContact O-N 3.34Å; C148-T151 VanDerWaalsContact O-N 3.15Å; C148-T151 PolarHBondContact O-OG1 2.75Å; C148-E152 PolarHBondContact O-N 3.35Å |
| 149 | T | 54.3 | Low | 57.6 | Low | 71 Ų | 71 | 94.3 Ų | 94.3 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 179.4 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | T145 E146 Y147 T151 E152 G153 | T145-T149 WeakPolarHBondContact O-CG2 3.48Å; T145-T149 PolarHBondContact O-N 2.81Å; T145-T149 PolarHBondContact O-OG1 3.29Å; E146-T149 WeakPolarHBondContact CA-OG1 3.38Å; E146-T149 PolarHBondContact O-OG1 3.47Å; E146-T149 VanDerWaalsContact O-OG1 3.1Å; Y147-T149 PolarHBondContact O-N 2.81Å; T149-T151 VanDerWaalsContact C-N 3.28Å; T149-T151 PolarHBondContact O-N 3.42Å; T149-E152 PolarHBondContact O-N 3.2Å; T149-G153 PolarHBondContact O-N 3.29Å |
| 150 | L | 51.5 | Low | 54.7 | Low | 119 Ų | 119 | 99.4 Ų | 99.4 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -32.6 | 173.9 | -76.9 | 170.4 | 0 | 0 | 0 | 113.1 | E146 Y147 C148 | E146-L150 WeakPolarHBondContact O-CB 3.49Å; E146-L150 WeakPolarHBondContact O-CD1 3.42Å; E146-L150 VanDerWaalsContact O-CG 3.26Å; E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 3.25Å; Y147-L150 PolarHBondContact O-N 2.7Å; C148-L150 PolarHBondContact O-N 2.93Å |
| 151 | T | 47 | Very low | 52 | Low | 44 Ų | 44 | 102.1 Ų | 102.1 | 27% | 0.27 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -77.6 | -25.8 | 177.8 | 43.5 | 0 | 0 | 0 | 0 | 115.2 | Y147 C148 T149 | Y147-T151 HydrophobicContact CE1-CG2 3.56Å; Y147-T151 PolarHBondContact O-N 3.25Å; Y147-T151 PolarHBondContact O-OG1 3.19Å; C148-T151 PolarHBondContact O-N 3.34Å; C148-T151 VanDerWaalsContact O-N 3.15Å; C148-T151 PolarHBondContact O-OG1 2.75Å; T149-T151 VanDerWaalsContact C-N 3.28Å; T149-T151 PolarHBondContact O-N 3.42Å |
| 152 | E | 42.6 | Very low | 49.1 | Very low | 140 Ų | 140 | 105.9 Ų | 105.9 | 65% | 0.654 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85.3 | -25.2 | 177.1 | -61.9 | -163 | 164.9 | 0 | 0 | 112.5 | C148 T149 I154 | C148-E152 PolarHBondContact O-N 3.35Å; T149-E152 PolarHBondContact O-N 3.2Å; E152-I154 VanDerWaalsContact C-N 3.25Å; E152-I154 PolarHBondContact O-N 3.46Å |
| 153 | G | 40.2 | Very low | 46.5 | Very low | 45 Ų | 45 | 114.1 Ų | 114.1 | 46% | 0.464 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -66.4 | -16.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T149 E155 R156 | T149-G153 PolarHBondContact O-N 3.29Å; G153-E155 VanDerWaalsContact C-N 3.25Å; G153-E155 PolarHBondContact O-N 3.04Å; G153-R156 PolarHBondContact O-N 2.89Å; G153-R156 VanDerWaalsContact O-N 3.12Å |
| 154 | I | 46.1 | Very low | 44.1 | Very low | 143 Ų | 143 | 121 Ų | 121 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -68.5 | -20.8 | -172.6 | -64.6 | 173.7 | 0 | 0 | 0 | 112.8 | E152 | E152-I154 VanDerWaalsContact C-N 3.25Å; E152-I154 PolarHBondContact O-N 3.46Å |
| 155 | E | 40.5 | Very low | 42.1 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -90.6 | -1.2 | 175.2 | -69.7 | -174 | 175.1 | 0 | 0 | 114.1 | G153 | G153-E155 VanDerWaalsContact C-N 3.25Å; G153-E155 PolarHBondContact O-N 3.04Å |
| 156 | R | 31.6 | Very low | 40.2 | Very low | 218 Ų | 218 | 127.6 Ų | 127.6 | 82% | 0.823 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -127.6 | 87.7 | -178.5 | -72.1 | -172.6 | 179.6 | 169.3 | 2.6 | 114.6 | G153 | G153-R156 PolarHBondContact O-N 2.89Å; G153-R156 VanDerWaalsContact O-N 3.12Å |
| 157 | Q | 30.6 | Very low | 38.6 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 84% | 0.841 | 69% | 0.687 | S | S | * | * | trans | 68.1 | 132.5 | 154.4 | -68 | -176.7 | -32.5 | 0 | 0 | 119.9 | S159 | Q157-S159 PolarHBondContact O-N 2.83Š| ||
| 158 | Y | 33.5 | Very low | 37.2 | Very low | 249 Ų | 249 | 133.5 Ų | 133.5 | 98% | 0.976 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -64.6 | 80.1 | 166.8 | -72.5 | -99.4 | 0 | 0 | 0 | 112.5 | ||
| 159 | S | 32.1 | Very low | 35.9 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -166.7 | 64.2 | 161.9 | 60 | 0 | 0 | 0 | 0 | 114.6 | Q157 | Q157-S159 PolarHBondContact O-N 2.83Š| ||
| 160 | S | 32.5 | Very low | 34.8 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -153 | 134.9 | 154.2 | -164.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 161 | G | 33.2 | Very low | 33.8 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | trans | -80.8 | 138.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R163 | G161-R163 PolarHBondContact O-N 3.28Å; G161-R163 VanDerWaalsContact O-N 3.14Å | ||
| 162 | V | 28.2 | Very low | 33 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -63 | 112.1 | 168.7 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | F164 | V162-F164 HydrophobicContact CB-CE2 4.44Å; V162-F164 HydrophobicContact CG1-CD2 3.83Å; V162-F164 HydrophobicContact CG1-CE2 3.49Å; V162-F164 VanDerWaalsContact CG1-CE2 3.49Å; V162-F164 HydrophobicContact CG1-CZ 4.05Å | ||
| 163 | R | 29.8 | Very low | 32.7 | Very low | 244 Ų | 244 | 147 Ų | 147 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -90.5 | 105.4 | 170.1 | -82.1 | -173.7 | 172.1 | 169.9 | -1.8 | 110 | G161 G165 | G161-R163 PolarHBondContact O-N 3.28Å; G161-R163 VanDerWaalsContact O-N 3.14Å; R163-G165 PolarHBondContact O-N 3.42Å | ||
| 164 | F | 27.9 | Very low | 32.2 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 82% | 0.82 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 106.8 | 159.9 | -71.5 | -85.3 | 0 | 0 | 0 | 108.5 | V162 | V162-F164 HydrophobicContact CB-CE2 4.44Å; V162-F164 HydrophobicContact CG1-CD2 3.83Å; V162-F164 HydrophobicContact CG1-CE2 3.49Å; V162-F164 VanDerWaalsContact CG1-CE2 3.49Å; V162-F164 HydrophobicContact CG1-CZ 4.05Å | ||
| 165 | G | 33.3 | Very low | 31.4 | Very low | 76 Ų | 76 | 152.4 Ų | 152.4 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -89.8 | 107.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R163 | R163-G165 PolarHBondContact O-N 3.42Š| ||
| 166 | I | 29.7 | Very low | 30.9 | Very low | 146 Ų | 146 | 153 Ų | 153 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -77.6 | 137.4 | 163.4 | -67 | 172.5 | 0 | 0 | 0 | 107 | T168 | I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 2.88Å | ||
| 167 | E | 29.7 | Very low | 30.8 | Very low | 196 Ų | 196 | 149 Ų | 149 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -66.4 | 86.3 | 172.4 | -69.1 | -176.3 | 158.7 | 0 | 0 | 110.4 | ||
| 168 | T | 30.2 | Very low | 30.8 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | -169.4 | 146.6 | 156.6 | 4.8 | 0 | 0 | 0 | 0 | 111.6 | I166 | I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 2.88Å | ||
| 169 | E | 28.8 | Very low | 30.8 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | 78.9 | 129.4 | 175.8 | -53.6 | -164.1 | 169.4 | 0 | 0 | 118.2 | ||||
| 170 | I | 31.8 | Very low | 31.2 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 122.1 | -169.2 | -62.2 | 159.2 | 0 | 0 | 0 | 109.2 | ||
| 171 | P | 31.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 122 | 159.6 | 31.3 | -26.8 | 0 | 0 | 0 | 109.3 | P173 | P171-P173 WeakPolarHBondContact O-CD 3.47Š|
| 172 | V | 29.8 | Very low | 33.7 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.5 | 172 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 173 | P | 36.9 | Very low | 36.3 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 132.2 | 175.1 | 30.7 | -30.8 | 0 | 0 | 0 | 109.8 | P171 | P171-P173 WeakPolarHBondContact O-CD 3.47Š|
| 174 | S | 29.3 | Very low | 39.1 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 142.4 | 167.4 | 47.4 | 0 | 0 | 0 | 0 | 110.8 | E176 | S174-E176 PolarHBondContact O-N 3.22Å; S174-E176 VanDerWaalsContact O-N 3.08Å |
| 175 | E | 29.6 | Very low | 42 | Very low | 189 Ų | 189 | 118.3 Ų | 118.3 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -62.6 | 103.8 | 179.9 | -60.3 | 174.9 | 148.5 | 0 | 0 | 111.2 | ||
| 176 | E | 29 | Very low | 44.7 | Very low | 182 Ų | 182 | 117.6 Ų | 117.6 | 85% | 0.85 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -166.4 | 100.8 | 156 | -110.4 | 164.4 | -138.3 | 0 | 0 | 111.5 | S174 | S174-E176 PolarHBondContact O-N 3.22Å; S174-E176 VanDerWaalsContact O-N 3.08Å |
| 177 | T | 29.7 | Very low | 47.5 | Very low | 132 Ų | 132 | 112.2 Ų | 112.2 | 81% | 0.81 | 66% | 0.66 | S | S | * | * | trans | 54.2 | 62.9 | 157.2 | -26.7 | 0 | 0 | 0 | 0 | 119.1 | T179 | T177-T179 PolarHBondContact O-N 2.99Š| ||
| 178 | S | 30.5 | Very low | 50.4 | Low | 122 Ų | 122 | 104.3 Ų | 104.3 | 85% | 0.853 | 62% | 0.622 | S | S | * | * | trans | -82.1 | 93.3 | 171.3 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | A180 | S178-A180 PolarHBondContact O-N 2.86Š| ||
| 179 | T | 33.6 | Very low | 53.4 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | trans | -74 | 115.7 | 161.2 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | T177 S181 | T177-T179 PolarHBondContact O-N 2.99Å; T179-S181 PolarHBondContact O-N 2.83Å | ||
| 180 | A | 39.9 | Very low | 56.4 | Low | 103 Ų | 103 | 94 Ų | 94 | 85% | 0.851 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S178 S182 | S178-A180 PolarHBondContact O-N 2.86Å; A180-S182 PolarHBondContact O-N 2.88Å |
| 181 | S | 53.3 | Low | 59.2 | Low | 117 Ų | 117 | 94.7 Ų | 94.7 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 131.2 | 177.3 | 71.2 | 0 | 0 | 0 | 0 | 110.6 | T179 | T179-S181 PolarHBondContact O-N 2.83Š|
| 182 | S | 66.3 | Low | 61.9 | Low | 52 Ų | 52 | 90.1 Ų | 90.1 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 138.6 | 169.7 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | A180 W184 | A180-S182 PolarHBondContact O-N 2.88Å; S182-W184 WeakPolarHBondContact CB-O 3.35Å; S182-W184 PolarHBondContact O-N 3.22Å; S182-W184 VanDerWaalsContact O-N 3.16Å; S182-W184 PolarHBondContact OG-N 3.16Å; S182-W184 PolarHBondContact OG-O 3.29Å |
| 183 | A | 81.6 | Confident | 64.4 | Low | 34 Ų | 34 | 90.4 Ų | 90.4 | 28% | 0.281 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -69.6 | -3.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H142 | H142-A183 PolarHBondContact CD2-O 3.42Å; H142-A183 PolarHBondContact N-O 2.85Å |
| 184 | W | 89.2 | Confident | 66.8 | Low | 9 Ų | 9 | 86 Ų | 86 | 3% | 0.034 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126 | -178 | -66 | 85.1 | 0 | 0 | 0 | 111.4 | I82 S108 F110 W121 F126 L128 F139 Q140 H141 S182 | I82-W184 HydrophobicContact CG1-CZ2 4.14Å; I82-W184 HydrophobicContact CG2-CZ2 4.41Å; S108-W184 PolarHBondContact OG-NE1 3.45Å; F110-W184 HydrophobicContact CD1-CB 4Å; F110-W184 AromaticContact CD1-CD1 3.74Å; F110-W184 AromaticContact CD1-CG 3.88Å; F110-W184 HydrophobicContact CD1-CG 3.88Å; F110-W184 HydrophobicContact CE1-CB 4.13Å; F110-W184 AromaticContact CE1-CD1 3.88Å; F110-W184 HydrophobicContact CE1-CD2 4.15Å; F110-W184 AromaticContact CE1-CG 3.79Å; F110-W184 HydrophobicContact CE1-CG 3.79Å; W121-W184 HydrophobicContact CH2-CH2 4.21Å; W121-W184 HydrophobicContact CH2-CZ2 4.47Å; W121-W184 AromaticContact CZ3-CH2 3.8Å; W121-W184 HydrophobicContact CZ3-CH2 3.8Å; W121-W184 HydrophobicContact CZ3-CZ2 4.5Å; F126-W184 WeakPolarHBondContact O-CZ3 3.25Å; L128-W184 HydrophobicContact CB-CZ3 4.31Å; F139-W184 HydrophobicContact CB-CE3 4.09Å; F139-W184 HydrophobicContact CD1-CB 4.38Å; Q140-W184 VanDerWaalsContact C-CE3 3.5Å; Q140-W184 CarbonylContact O-C 3.44Å; Q140-W184 WeakPolarHBondContact O-CA 3.33Å; H141-W184 HydrophobicContact CB-CD2 4.29Å; H141-W184 HydrophobicContact CB-CE3 4.07Å; H141-W184 HydrophobicContact CB-CH2 3.92Å; H141-W184 HydrophobicContact CB-CZ2 4.16Å; H141-W184 HydrophobicContact CB-CZ3 3.89Å; H141-W184 AromaticContact CD2-CE2 3.78Å; H141-W184 AromaticContact CD2-CZ2 3.76Å; H141-W184 AromaticContact CD2-NE1 3.99Å; S182-W184 WeakPolarHBondContact CB-O 3.35Å; S182-W184 PolarHBondContact O-N 3.22Å; S182-W184 VanDerWaalsContact O-N 3.16Å; S182-W184 PolarHBondContact OG-N 3.16Å; S182-W184 PolarHBondContact OG-O 3.29Å |
| 185 | D | 88.9 | Confident | 69.5 | Low | 66 Ų | 66 | 82.6 Ų | 82.6 | 35% | 0.353 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.1 | 177 | -56 | -51.6 | 0 | 0 | 0 | 110.7 | F139 Q140 T145 V187 | F139-D185 CarbonylContact C-O 3.58Å; F139-D185 VanDerWaalsContact CA-O 3.29Å; F139-D185 WeakPolarHBondContact CA-O 3.41Å; Q140-D185 PolarHBondContact N-O 3.41Å; Q140-D185 PolarHBondContact O-N 3.38Å; T145-D185 PolarHBondContact OG1-OD2 2.86Å; D185-V187 HydrophobicContact CB-CG1 4.4Å; D185-V187 PolarHBondContact O-N 2.91Å |
| 186 | C | 89.1 | Confident | 72.4 | Confident | 60 Ų | 60 | 74 Ų | 74 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 100.1 | 171.6 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | Q137 M138 F139 W188 | Q137-C186 PolarHBondContact NE2-SG 2.52Å; Q137-C186 VanDerWaalsContact NE2-SG 3.39Å; M138-C186 CarbonylContact O-C 3.59Å; M138-C186 WeakPolarHBondContact O-CA 3.04Å; F139-C186 HydrophobicContact CD1-CB 4.21Å; F139-C186 HydrophobicContact CE1-CB 3.93Å; F139-C186 HydrophobicContact CZ-CB 4.33Å; C186-W188 PolarHBondContact SG-O 2.85Å |
| 187 | V | 89.4 | Confident | 75.2 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 20% | 0.2 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -11.7 | -173.5 | -67.5 | 0 | 0 | 0 | 0 | 114.3 | M138 Q140 D185 L235 | M138-V187 HydrophobicContact CB-CG2 4.1Å; M138-V187 HydrophobicContact CG-CG2 3.96Å; M138-V187 PolarHBondContact O-N 2.78Å; Q140-V187 HydrophobicContact CB-CB 4.46Å; Q140-V187 HydrophobicContact CB-CG1 3.73Å; Q140-V187 HydrophobicContact CB-CG2 3.83Å; D185-V187 HydrophobicContact CB-CG1 4.4Å; D185-V187 PolarHBondContact O-N 2.91Å; V187-L235 HydrophobicContact CB-CD1 4.1Å; V187-L235 HydrophobicContact CG2-CD1 3.68Å |
| 188 | W | 91.4 | Very high | 78.1 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 11% | 0.114 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 146.1 | 174.1 | 175.7 | 77.9 | 0 | 0 | 0 | 110.8 | L129 L136 Q137 M138 C186 S190 F208 W221 L235 Y237 | L129-W188 HydrophobicContact CD1-CZ3 4.3Å; L136-W188 HydrophobicContact CB-CZ3 4.4Å; L136-W188 HydrophobicContact CD2-CH2 4.04Å; L136-W188 HydrophobicContact CD2-CZ3 3.9Å; L136-W188 HydrophobicContact CG-CH2 4.46Å; L136-W188 HydrophobicContact CG-CZ3 3.94Å; Q137-W188 WeakPolarHBondContact CA-O 3.37Å; M138-W188 HydrophobicContact CB-CB 3.92Å; M138-W188 HydrophobicContact CB-CE3 4.14Å; M138-W188 PolarHBondContact N-O 2.78Å; C186-W188 PolarHBondContact SG-O 2.85Å; W188-S190 VanDerWaalsContact CZ2-CB 3.47Å; W188-F208 AromaticContact CH2-CZ 3.83Å; W188-F208 HydrophobicContact CH2-CZ 3.83Å; W188-F208 AromaticContact CZ3-CZ 3.84Å; W188-F208 HydrophobicContact CZ3-CZ 3.84Å; W188-W221 HydrophobicContact CH2-CD2 4.41Å; W188-W221 AromaticContact CH2-CE3 3.96Å; W188-W221 HydrophobicContact CH2-CE3 3.96Å; W188-W221 HydrophobicContact CH2-CH2 4.35Å; W188-W221 AromaticContact CH2-CZ3 3.94Å; W188-W221 HydrophobicContact CH2-CZ3 3.94Å; W188-W221 AromaticContact CZ2-CE3 3.89Å; W188-W221 HydrophobicContact CZ2-CE3 3.89Å; W188-W221 HydrophobicContact CZ2-CH2 4.41Å; W188-W221 AromaticContact CZ2-CZ3 3.7Å; W188-W221 HydrophobicContact CZ2-CZ3 3.7Å; W188-L235 HydrophobicContact CB-CB 4.42Å; W188-Y237 AromaticContact CD2-CD2 3.96Å; W188-Y237 HydrophobicContact CD2-CD2 3.96Å; W188-Y237 AromaticContact CG-CD2 3.97Å; W188-Y237 HydrophobicContact CG-CD2 3.97Å; W188-Y237 HydrophobicContact CZ2-CG 4.48Å |
| 189 | S | 91.4 | Very high | 81.1 | Confident | 57 Ų | 57 | 56 Ų | 56 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 144.1 | 169.9 | -175.1 | 0 | 0 | 0 | 0 | 111 | L136 Q137 | L136-S189 CarbonylContact O-C 3.11Å; L136-S189 VanDerWaalsContact O-CA 3.3Å; L136-S189 WeakPolarHBondContact O-CA 3.39Å; L136-S189 PolarHBondContact O-OG 2.99Å; Q137-S189 WeakPolarHBondContact CG-OG 3.35Å |
| 190 | S | 91.7 | Very high | 84 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.9 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | K135 L136 W188 | K135-S190 WeakPolarHBondContact CA-O 3.24Å; L136-S190 PolarHBondContact N-O 2.68Å; L136-S190 PolarHBondContact O-N 3.03Å; W188-S190 VanDerWaalsContact CZ2-CB 3.47Å |
| 191 | K | 91.2 | Very high | 86.5 | Confident | 173 Ų | 173 | 49.2 Ų | 49.2 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 139.9 | 175 | -170.7 | -178.4 | 176.5 | -172.2 | 0 | 109.3 | ||
| 192 | L | 88.3 | Confident | 88.3 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | trans | -97.6 | 144.6 | 176.3 | -68 | 170.5 | 0 | 0 | 0 | 111.1 | T132 A134 K135 L136 L196 | T132-L192 VanDerWaalsContact O-CD1 3.27Å; T132-L192 WeakPolarHBondContact O-CD1 3.24Å; A134-L192 PolarHBondContact O-N 3.42Å; K135-L192 VanDerWaalsContact C-CD1 3.5Å; L136-L192 HydrophobicContact CB-CD1 4.33Å; L136-L192 HydrophobicContact CB-CD2 4.16Å; L136-L192 HydrophobicContact CB-CG 4.25Å; L192-L196 HydrophobicContact CD1-CD1 4.24Å; L192-L196 HydrophobicContact CD1-CG 3.91Å; L192-L196 HydrophobicContact CD2-CD1 4.12Å; L192-L196 HydrophobicContact CD2-CD2 3.94Å; L192-L196 HydrophobicContact CD2-CG 3.94Å | ||
| 193 | D | 83 | Confident | 89.2 | Confident | 139 Ų | 139 | 43.8 Ų | 43.8 | 74% | 0.743 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -85.9 | -31.9 | 174.6 | -47.7 | -60.2 | 0 | 0 | 0 | 111.2 | K219 | D193-K219 IonicContact OD2-NZ 3.6Å; D193-K219 PolarHBondContact OD2-NZ 2.93Å |
| 194 | S | 85.5 | Confident | 89.1 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 16% | 0.161 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -141.9 | 150.3 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | L196 D215 | S194-L196 PolarHBondContact O-N 3.08Å; S194-D215 PolarHBondContact OG-OD1 2.7Å; S194-D215 PolarHBondContact OG-OD2 3.33Å |
| 195 | P | 86.5 | Confident | 88.9 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | trans | -62.6 | 133.9 | 175.4 | 26.1 | -34.8 | 0 | 0 | 0 | 110.3 | K213 | P195-K213 HydrophobicContact CG-CD 4.12Å; P195-K213 PolarHBondContact O-N 3.05Å | ||
| 196 | L | 90.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.6 | -179.2 | -64.2 | -177.1 | 0 | 0 | 0 | 111.7 | L136 L192 S194 V199 C211 | L136-L196 HydrophobicContact CD1-CD1 3.93Å; L136-L196 HydrophobicContact CD2-CD1 4.38Å; L192-L196 HydrophobicContact CD1-CD1 4.24Å; L192-L196 HydrophobicContact CD1-CG 3.91Å; L192-L196 HydrophobicContact CD2-CD1 4.12Å; L192-L196 HydrophobicContact CD2-CD2 3.94Å; L192-L196 HydrophobicContact CD2-CG 3.94Å; S194-L196 PolarHBondContact O-N 3.08Å; L196-V199 HydrophobicContact CD1-CB 4.25Å; L196-V199 HydrophobicContact CD1-CG2 4.42Å; L196-C211 WeakPolarHBondContact CA-O 3.33Å |
| 197 | R | 88.7 | Confident | 88.7 | Confident | 44 Ų | 44 | 40 Ų | 40 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -48.2 | 165.5 | 179.7 | 175.9 | -73.8 | 133.4 | -3.7 | 109.9 | E15 N16 C118 C211 K213 E247 V248 I249 | E15-R197 WeakPolarHBondContact OE2-CG 3.39Å; N16-R197 PolarHBondContact ND2-O 3.42Å; C118-R197 PolarHBondContact SG-O 3.08Å; R197-C211 PolarHBondContact N-O 3.25Å; R197-K213 HydrophobicContact CB-CG 4.09Å; R197-E247 IonicContact CZ-OE1 2.92Å; R197-E247 IonicContact NH1-OE1 3.43Å; R197-E247 PolarHBondContact NH1-OE1 3.48Å; R197-E247 IonicContact NH2-OE1 3.18Å; R197-E247 PolarHBondContact NH2-OE1 3.38Å; R197-V248 PolarHBondContact NH1-O 3.42Å; R197-V248 VanDerWaalsContact NH1-O 3.09Å; R197-I249 WeakPolarHBondContact CD-O 2.94Å |
| 198 | Q | 91.1 | Very high | 88.9 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 141.4 | -173.2 | -166.3 | -175.5 | 2 | 0 | 0 | 112.1 | S210 C211 G250 F251 | Q198-S210 WeakPolarHBondContact O-CA 3.41Å; Q198-C211 PolarHBondContact N-O 3.19Å; Q198-C211 PolarHBondContact O-N 3.02Å; Q198-G250 VanDerWaalsContact OE1-CA 3.31Å; Q198-F251 HydrophobicContact CB-CD1 4.49Å; Q198-F251 HydrophobicContact CB-CE1 3.84Å; Q198-F251 HydrophobicContact CB-CZ 4.26Å; Q198-F251 HydrophobicContact CG-CE1 3.95Å; Q198-F251 HydrophobicContact CG-CZ 3.96Å; Q198-F251 PolarHBondContact NE2-O 3.11Å; Q198-F251 PolarHBondContact OE1-O 3.07Å |
| 199 | V | 93.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 130.7 | 171.1 | 74.7 | 0 | 0 | 0 | 0 | 110.5 | C118 L129 L196 F208 A209 | C118-V199 HydrophobicContact CB-CG1 3.84Å; L129-V199 HydrophobicContact CD2-CB 4.31Å; L129-V199 HydrophobicContact CD2-CG1 4.01Å; L129-V199 HydrophobicContact CD2-CG2 3.32Å; L196-V199 HydrophobicContact CD1-CB 4.25Å; L196-V199 HydrophobicContact CD1-CG2 4.42Å; V199-F208 HydrophobicContact CG2-CD2 4.17Å; V199-A209 WeakPolarHBondContact CA-O 3.48Å; V199-A209 WeakPolarHBondContact CG2-O 3.45Å |
| 200 | R | 93.7 | Very high | 89.3 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 25% | 0.249 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 136.1 | 177.4 | -62.1 | -172.3 | 177.1 | 171.9 | 2.3 | 112.2 | F208 A209 F251 W253 N542 | R200-F208 WeakPolarHBondContact O-CA 3.46Å; R200-A209 PolarHBondContact N-O 3.16Å; R200-A209 PolarHBondContact O-N 2.87Å; R200-F251 HydrophobicContact CB-CE2 4.04Å; R200-F251 HydrophobicContact CG-CE2 4.41Å; R200-W253 PolarHBondContact O-NE1 2.96Å; R200-N542 PolarHBondContact NH2-OD1 3.27Å |
| 201 | F | 92.3 | Very high | 89.4 | Confident | 21 Ų | 21 | 33 Ų | 33 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 150.5 | 165.7 | -74 | -82.1 | 0 | 0 | 0 | 112 | W121 N122 L129 M138 M207 F208 W253 | W121-F201 VanDerWaalsContact O-CD2 3.27Å; W121-F201 WeakPolarHBondContact O-CD2 3.47Å; N122-F201 HydrophobicContact CB-CD1 3.97Å; N122-F201 HydrophobicContact CB-CD2 3.79Å; N122-F201 HydrophobicContact CB-CE1 3.93Å; N122-F201 HydrophobicContact CB-CE2 3.71Å; N122-F201 HydrophobicContact CB-CG 3.92Å; N122-F201 HydrophobicContact CB-CZ 3.79Å; N122-F201 WeakPolarHBondContact ND2-CD1 3.46Å; N122-F201 WeakPolarHBondContact ND2-CE1 3.44Å; L129-F201 HydrophobicContact CB-CE2 3.71Å; L129-F201 HydrophobicContact CB-CZ 4.01Å; L129-F201 HydrophobicContact CD2-CE2 4.42Å; M138-F201 HydrophobicContact CE-CE1 4.25Å; M138-F201 HydrophobicContact CE-CZ 3.87Å; M138-F201 HydrophobicContact SD-CZ 3.85Å; F201-M207 WeakPolarHBondContact CA-O 3.49Å; F201-M207 WeakPolarHBondContact CD1-O 3.32Å; F201-F208 HydrophobicContact CD1-CB 3.71Å; F201-F208 HydrophobicContact CD1-CD1 4.25Å; F201-F208 HydrophobicContact CD1-CG 4.4Å; F201-F208 HydrophobicContact CE1-CB 3.96Å; F201-F208 AromaticContact CE1-CD1 3.71Å; F201-F208 HydrophobicContact CE1-CD1 3.71Å; F201-F208 HydrophobicContact CE1-CG 4.17Å; F201-F208 HydrophobicContact CG-CB 4.09Å; F201-F208 HydrophobicContact CZ-CD1 4.31Å; F201-W253 PolarHBondContact O-NE1 3.49Å |
| 202 | S | 91 | Very high | 89.3 | Confident | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | trans | -62.7 | 159.2 | 164.9 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | D204 G205 S206 M207 N267 | S202-D204 WeakPolarHBondContact CB-OD1 3.5Å; S202-D204 PolarHBondContact O-N 2.82Å; S202-D204 PolarHBondContact OG-OD1 2.9Å; S202-G205 WeakPolarHBondContact O-CA 3.44Å; S202-G205 PolarHBondContact O-N 3.17Å; S202-S206 PolarHBondContact OG-N 3.14Å; S202-M207 PolarHBondContact N-O 2.74Å; S202-M207 PolarHBondContact OG-N 2.93Å; S202-M207 PolarHBondContact OG-O 3.25Å; S202-M207 VanDerWaalsContact OG-O 3.07Å; S202-N267 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 203 | P | 84.8 | Confident | 89.2 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 33% | 0.331 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -30.7 | -177.1 | -17.3 | 28.3 | 0 | 0 | 0 | 113.3 | G205 W253 R254 S256 | P203-G205 VanDerWaalsContact C-N 3.32Å; P203-W253 HydrophobicContact CG-CB 4.23Å; P203-R254 WeakPolarHBondContact CG-O 3.22Å; P203-S256 WeakPolarHBondContact CB-OG 3.46Å |
| 204 | D | 80.9 | Confident | 89.3 | Confident | 21 Ų | 21 | 24.4 Ų | 24.4 | 11% | 0.112 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.1 | 174.7 | 72.6 | -10.6 | 0 | 0 | 0 | 112.7 | S202 S206 R262 N267 | S202-D204 WeakPolarHBondContact CB-OD1 3.5Å; S202-D204 PolarHBondContact O-N 2.82Å; S202-D204 PolarHBondContact OG-OD1 2.9Å; D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 PolarHBondContact OD1-N 2.87Å; D204-S206 PolarHBondContact OD1-OG 2.88Å; D204-S206 WeakPolarHBondContact OD2-CB 3.26Å; D204-S206 PolarHBondContact OD2-OG 2.84Å; D204-R262 HydrophobicContact CB-CB 4.36Å; D204-R262 HydrophobicContact CB-CG 4.12Å; D204-R262 VanDerWaalsContact O-CZ 3.28Å; D204-R262 PolarHBondContact O-NE 3.24Å; D204-R262 PolarHBondContact O-NH2 2.93Å; D204-N267 PolarHBondContact OD1-OD1 2.91Å; D204-N267 PolarHBondContact OD2-ND2 2.91Å |
| 205 | G | 83.5 | Confident | 89.6 | Confident | 11 Ų | 11 | 25 Ų | 25 | 11% | 0.113 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 67.9 | 12.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N122 S202 P203 | N122-G205 PolarHBondContact ND2-O 3.41Å; N122-G205 WeakPolarHBondContact OD1-CA 3.12Å; S202-G205 WeakPolarHBondContact O-CA 3.44Å; S202-G205 PolarHBondContact O-N 3.17Å; P203-G205 VanDerWaalsContact C-N 3.32Å |
| 206 | S | 83.7 | Confident | 89.9 | Confident | 53 Ų | 53 | 28.6 Ų | 28.6 | 37% | 0.371 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -78.9 | -29.6 | 178.2 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | S202 D204 | S202-S206 PolarHBondContact OG-N 3.14Å; D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 PolarHBondContact OD1-N 2.87Å; D204-S206 PolarHBondContact OD1-OG 2.88Å; D204-S206 WeakPolarHBondContact OD2-CB 3.26Å; D204-S206 PolarHBondContact OD2-OG 2.84Å |
| 207 | M | 90.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 168 | -178.8 | -55.2 | -170.2 | 87.1 | 0 | 0 | 111.5 | F201 S202 V220 W221 F222 V371 F373 | F201-M207 WeakPolarHBondContact CA-O 3.49Å; F201-M207 WeakPolarHBondContact CD1-O 3.32Å; S202-M207 PolarHBondContact N-O 2.74Å; S202-M207 PolarHBondContact OG-N 2.93Å; S202-M207 PolarHBondContact OG-O 3.25Å; S202-M207 VanDerWaalsContact OG-O 3.07Å; M207-V220 HydrophobicContact CE-CG1 3.54Å; M207-V220 HydrophobicContact SD-CG1 4.18Å; M207-W221 CarbonylContact C-O 3.57Å; M207-W221 VanDerWaalsContact CA-O 3.22Å; M207-W221 WeakPolarHBondContact CA-O 3.4Å; M207-W221 WeakPolarHBondContact CB-O 3.45Å; M207-F222 HydrophobicContact CE-CB 3.77Å; M207-F222 HydrophobicContact CE-CD1 3.92Å; M207-F222 HydrophobicContact CE-CG 4.25Å; M207-F222 HydrophobicContact CG-CB 4.39Å; M207-V371 HydrophobicContact CE-CB 4Å; M207-V371 HydrophobicContact CE-CG1 3.55Å; M207-V371 HydrophobicContact CE-CG2 4.29Å; M207-V371 HydrophobicContact SD-CG1 3.89Å; M207-F373 HydrophobicContact CE-CE2 3.88Å; M207-F373 HydrophobicContact SD-CE2 3.69Å; M207-F373 HydrophobicContact SD-CZ 3.96Å |
| 208 | F | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146 | 162 | 62.1 | -89.7 | 0 | 0 | 0 | 111.8 | L129 L136 M138 W188 V199 R200 F201 W221 Y237 | L129-F208 HydrophobicContact CD1-CE2 4.44Å; L129-F208 HydrophobicContact CD1-CZ 4.3Å; L129-F208 HydrophobicContact CD2-CD2 3.96Å; L129-F208 HydrophobicContact CD2-CE2 4.17Å; L129-F208 HydrophobicContact CD2-CG 4.38Å; L136-F208 HydrophobicContact CD2-CE2 3.75Å; L136-F208 HydrophobicContact CD2-CZ 4.35Å; M138-F208 HydrophobicContact CE-CD1 4.43Å; M138-F208 HydrophobicContact CE-CE1 3.91Å; W188-F208 AromaticContact CH2-CZ 3.83Å; W188-F208 HydrophobicContact CH2-CZ 3.83Å; W188-F208 AromaticContact CZ3-CZ 3.84Å; W188-F208 HydrophobicContact CZ3-CZ 3.84Å; V199-F208 HydrophobicContact CG2-CD2 4.17Å; R200-F208 WeakPolarHBondContact O-CA 3.46Å; F201-F208 HydrophobicContact CD1-CB 3.71Å; F201-F208 HydrophobicContact CD1-CD1 4.25Å; F201-F208 HydrophobicContact CD1-CG 4.4Å; F201-F208 HydrophobicContact CE1-CB 3.96Å; F201-F208 AromaticContact CE1-CD1 3.71Å; F201-F208 HydrophobicContact CE1-CD1 3.71Å; F201-F208 HydrophobicContact CE1-CG 4.17Å; F201-F208 HydrophobicContact CG-CB 4.09Å; F201-F208 HydrophobicContact CZ-CD1 4.31Å; F208-W221 HydrophobicContact CD1-CB 3.96Å; F208-W221 HydrophobicContact CD2-CB 3.92Å; F208-W221 AromaticContact CD2-CD1 3.54Å; F208-W221 AromaticContact CD2-CG 3.87Å; F208-W221 HydrophobicContact CD2-CG 3.87Å; F208-W221 HydrophobicContact CE1-CB 3.63Å; F208-W221 HydrophobicContact CE1-CG 4.22Å; F208-W221 HydrophobicContact CE2-CB 3.57Å; F208-W221 AromaticContact CE2-CD1 3.21Å; F208-W221 AromaticContact CE2-CD2 3.89Å; F208-W221 HydrophobicContact CE2-CD2 3.89Å; F208-W221 AromaticContact CE2-CG 3.27Å; F208-W221 HydrophobicContact CE2-CG 3.27Å; F208-W221 AromaticContact CE2-NE1 3.75Å; F208-W221 HydrophobicContact CG-CB 4.1Å; F208-W221 HydrophobicContact CZ-CB 3.41Å; F208-W221 VanDerWaalsContact CZ-CB 3.41Å; F208-W221 AromaticContact CZ-CD1 3.93Å; F208-W221 AromaticContact CZ-CD2 3.95Å; F208-W221 HydrophobicContact CZ-CD2 3.95Å; F208-W221 HydrophobicContact CZ-CE3 4.48Å; F208-W221 AromaticContact CZ-CG 3.49Å; F208-W221 HydrophobicContact CZ-CG 3.49Å; F208-W221 VanDerWaalsContact CZ-CG 3.49Å; F208-W221 PolarHBondContact N-O 2.79Å; F208-W221 PolarHBondContact O-N 3.19Å; F208-Y237 HydrophobicContact CD1-CE1 4.21Å; F208-Y237 AromaticContact CE1-CD1 3.7Å; F208-Y237 HydrophobicContact CE1-CD1 3.7Å; F208-Y237 AromaticContact CE1-CE1 3.65Å; F208-Y237 HydrophobicContact CE1-CE1 3.65Å; F208-Y237 HydrophobicContact CE1-CG 4.29Å; F208-Y237 HydrophobicContact CZ-CD1 4.42Å |
| 209 | A | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 146.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V199 R200 V218 K219 V220 F251 W253 L269 | V199-A209 WeakPolarHBondContact CA-O 3.48Å; V199-A209 WeakPolarHBondContact CG2-O 3.45Å; R200-A209 PolarHBondContact N-O 3.16Å; R200-A209 PolarHBondContact O-N 2.87Å; A209-V218 HydrophobicContact CB-CG1 3.96Å; A209-K219 CarbonylContact C-O 3.59Å; A209-K219 WeakPolarHBondContact CA-O 3.45Å; A209-V220 HydrophobicContact CB-CG2 4.41Å; A209-F251 HydrophobicContact CB-CD2 4.06Å; A209-F251 HydrophobicContact CB-CE1 4.48Å; A209-F251 HydrophobicContact CB-CE2 3.54Å; A209-F251 HydrophobicContact CB-CZ 3.8Å; A209-F251 VanDerWaalsContact O-CZ 3.24Å; A209-F251 WeakPolarHBondContact O-CZ 3.18Å; A209-W253 HydrophobicContact CB-CZ2 3.7Å; A209-L269 HydrophobicContact CB-CD1 4.41Å; A209-L269 HydrophobicContact CB-CD2 4.39Å |
| 210 | S | 95.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.5 | 175 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | Q198 K219 W221 | Q198-S210 WeakPolarHBondContact O-CA 3.41Å; S210-K219 PolarHBondContact N-O 2.85Å; S210-K219 PolarHBondContact O-N 3.18Å; S210-K219 PolarHBondContact OG-O 2.68Å; S210-W221 PolarHBondContact OG-NE1 3.12Å |
| 211 | C | 93.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.2 | 175.3 | -173 | 0 | 0 | 0 | 0 | 110.7 | L196 R197 Q198 V248 F251 | L196-C211 WeakPolarHBondContact CA-O 3.33Å; R197-C211 PolarHBondContact N-O 3.25Å; Q198-C211 PolarHBondContact N-O 3.19Å; Q198-C211 PolarHBondContact O-N 3.02Å; C211-V248 PolarHBondContact SG-O 2.93Å; C211-F251 HydrophobicContact CB-CD1 3.99Å; C211-F251 HydrophobicContact CB-CE1 3.75Å |
| 212 | G | 90.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 158.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | N214 D215 | G212-N214 PolarHBondContact O-N 3Å; G212-D215 WeakPolarHBondContact CA-OD2 3.29Å; G212-D215 PolarHBondContact N-OD2 2.81Å; G212-D215 PolarHBondContact O-N 3.01Å |
| 213 | K | 84.9 | Confident | 90.2 | Very high | 57 Ų | 57 | 28 Ų | 28 | 25% | 0.248 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 131.3 | 165 | -64.8 | -180 | -170.8 | 174.1 | 0 | 108.7 | P195 R197 D215 D670 | P195-K213 HydrophobicContact CG-CD 4.12Å; P195-K213 PolarHBondContact O-N 3.05Å; R197-K213 HydrophobicContact CB-CG 4.09Å; K213-D215 PolarHBondContact O-N 3.42Å; K213-D670 IonicContact NZ-OD2 3.25Å; K213-D670 PolarHBondContact NZ-OD2 3.29Å |
| 214 | N | 85.6 | Confident | 89.9 | Confident | 90 Ų | 90 | 26.5 Ų | 26.5 | 48% | 0.481 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 6.7 | -179.6 | -48.4 | -0.2 | 0 | 0 | 0 | 115 | G212 E247 | G212-N214 PolarHBondContact O-N 3Å; N214-E247 WeakPolarHBondContact CA-OE1 3.47Å; N214-E247 PolarHBondContact N-OE1 3.12Å; N214-E247 VanDerWaalsContact N-OE1 3.08Å; N214-E247 PolarHBondContact OD1-OE1 3.5Å |
| 215 | D | 91.1 | Very high | 89.2 | Confident | 34 Ų | 34 | 27.5 Ų | 27.5 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | trans | -77.1 | 139.8 | 176.8 | -78.1 | 15.9 | 0 | 0 | 0 | 111.7 | S194 G212 K213 V217 E247 V248 | S194-D215 PolarHBondContact OG-OD1 2.7Å; S194-D215 PolarHBondContact OG-OD2 3.33Å; G212-D215 WeakPolarHBondContact CA-OD2 3.29Å; G212-D215 PolarHBondContact N-OD2 2.81Å; G212-D215 PolarHBondContact O-N 3.01Å; K213-D215 PolarHBondContact O-N 3.42Å; D215-V217 VanDerWaalsContact C-N 3.32Å; D215-V217 HydrophobicContact CB-CG2 4.48Å; D215-E247 WeakPolarHBondContact O-CA 3.38Å; D215-V248 PolarHBondContact O-N 2.93Å | ||
| 216 | K | 93.8 | Very high | 88.3 | Confident | 118 Ų | 118 | 30.3 Ų | 30.3 | 51% | 0.513 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -94.2 | 16.9 | 172.5 | -53.8 | -169.1 | 179 | -172.5 | 0 | 113.3 | H244 | K216-H244 WeakPolarHBondContact O-CB 3.39Å; K216-H244 PolarHBondContact O-N 3.41Å |
| 217 | V | 94 | Very high | 86.9 | Confident | 34 Ų | 34 | 31.3 Ų | 31.3 | 21% | 0.206 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145.9 | -172.8 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | D215 L241 L242 R243 | D215-V217 VanDerWaalsContact C-N 3.32Å; D215-V217 HydrophobicContact CB-CG2 4.48Å; V217-L241 HydrophobicContact CB-CD2 4.2Å; V217-L241 HydrophobicContact CG2-CD2 4.12Å; V217-L242 CarbonylContact C-O 3.52Å; V217-L242 WeakPolarHBondContact CA-O 3.43Å; V217-R243 HydrophobicContact CG1-CG 4.08Å |
| 218 | V | 95.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.7 | 164.7 | -174.8 | 0 | 0 | 0 | 0 | 108 | A209 V220 L242 V248 F251 L269 T271 | A209-V218 HydrophobicContact CB-CG1 3.96Å; V218-V220 HydrophobicContact CG1-CG2 4.35Å; V218-L242 HydrophobicContact CB-CB 4.27Å; V218-L242 HydrophobicContact CB-CD1 4.5Å; V218-L242 PolarHBondContact N-O 2.91Å; V218-L242 PolarHBondContact O-N 2.96Å; V218-V248 HydrophobicContact CG2-CB 4.41Å; V218-V248 HydrophobicContact CG2-CG1 3.84Å; V218-V248 HydrophobicContact CG2-CG2 4.23Å; V218-F251 HydrophobicContact CG1-CD1 4.35Å; V218-L269 HydrophobicContact CG1-CD2 4.3Å; V218-T271 HydrophobicContact CG2-CG2 4.12Å |
| 219 | K | 94.6 | Very high | 83.1 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 14% | 0.135 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 119.6 | 172.5 | -65.2 | 174.2 | -176.9 | 178 | 0 | 107.9 | D193 A209 S210 W221 F239 L240 L241 | D193-K219 IonicContact OD2-NZ 3.6Å; D193-K219 PolarHBondContact OD2-NZ 2.93Å; A209-K219 CarbonylContact C-O 3.59Å; A209-K219 WeakPolarHBondContact CA-O 3.45Å; S210-K219 PolarHBondContact N-O 2.85Å; S210-K219 PolarHBondContact O-N 3.18Å; S210-K219 PolarHBondContact OG-O 2.68Å; K219-W221 HydrophobicContact CB-CZ2 4.45Å; K219-W221 HydrophobicContact CD-CZ2 4.09Å; K219-F239 HydrophobicContact CG-CD2 4.35Å; K219-L240 CarbonylContact C-O 3.53Å; K219-L240 WeakPolarHBondContact CA-O 3.32Å; K219-L241 HydrophobicContact CG-CD2 3.63Å |
| 220 | V | 94.9 | Very high | 81 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 111.8 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | M207 A209 V218 F239 L240 L242 W253 L269 F373 | M207-V220 HydrophobicContact CE-CG1 3.54Å; M207-V220 HydrophobicContact SD-CG1 4.18Å; A209-V220 HydrophobicContact CB-CG2 4.41Å; V218-V220 HydrophobicContact CG1-CG2 4.35Å; V220-F239 CarbonylContact O-C 3.14Å; V220-F239 VanDerWaalsContact O-CA 3.27Å; V220-F239 WeakPolarHBondContact O-CA 3.41Å; V220-L240 HydrophobicContact CB-CB 4.5Å; V220-L240 PolarHBondContact N-O 3.34Å; V220-L240 PolarHBondContact O-N 3.44Å; V220-L242 HydrophobicContact CG2-CD1 3.74Å; V220-L242 HydrophobicContact CG2-CG 4Å; V220-W253 HydrophobicContact CG1-CH2 3.93Å; V220-W253 HydrophobicContact CG1-CZ2 4.25Å; V220-L269 HydrophobicContact CG2-CD2 4.3Å; V220-F373 HydrophobicContact CG1-CE2 4.2Å |
| 221 | W | 93.8 | Very high | 78.5 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 4% | 0.038 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.3 | -171.5 | -56.2 | 78.7 | 0 | 0 | 0 | 111.6 | W188 M207 F208 S210 K219 Y237 N238 F239 | W188-W221 HydrophobicContact CH2-CD2 4.41Å; W188-W221 AromaticContact CH2-CE3 3.96Å; W188-W221 HydrophobicContact CH2-CE3 3.96Å; W188-W221 HydrophobicContact CH2-CH2 4.35Å; W188-W221 AromaticContact CH2-CZ3 3.94Å; W188-W221 HydrophobicContact CH2-CZ3 3.94Å; W188-W221 AromaticContact CZ2-CE3 3.89Å; W188-W221 HydrophobicContact CZ2-CE3 3.89Å; W188-W221 HydrophobicContact CZ2-CH2 4.41Å; W188-W221 AromaticContact CZ2-CZ3 3.7Å; W188-W221 HydrophobicContact CZ2-CZ3 3.7Å; M207-W221 CarbonylContact C-O 3.57Å; M207-W221 VanDerWaalsContact CA-O 3.22Å; M207-W221 WeakPolarHBondContact CA-O 3.4Å; M207-W221 WeakPolarHBondContact CB-O 3.45Å; F208-W221 HydrophobicContact CD1-CB 3.96Å; F208-W221 HydrophobicContact CD2-CB 3.92Å; F208-W221 AromaticContact CD2-CD1 3.54Å; F208-W221 AromaticContact CD2-CG 3.87Å; F208-W221 HydrophobicContact CD2-CG 3.87Å; F208-W221 HydrophobicContact CE1-CB 3.63Å; F208-W221 HydrophobicContact CE1-CG 4.22Å; F208-W221 HydrophobicContact CE2-CB 3.57Å; F208-W221 AromaticContact CE2-CD1 3.21Å; F208-W221 AromaticContact CE2-CD2 3.89Å; F208-W221 HydrophobicContact CE2-CD2 3.89Å; F208-W221 AromaticContact CE2-CG 3.27Å; F208-W221 HydrophobicContact CE2-CG 3.27Å; F208-W221 AromaticContact CE2-NE1 3.75Å; F208-W221 HydrophobicContact CG-CB 4.1Å; F208-W221 HydrophobicContact CZ-CB 3.41Å; F208-W221 VanDerWaalsContact CZ-CB 3.41Å; F208-W221 AromaticContact CZ-CD1 3.93Å; F208-W221 AromaticContact CZ-CD2 3.95Å; F208-W221 HydrophobicContact CZ-CD2 3.95Å; F208-W221 HydrophobicContact CZ-CE3 4.48Å; F208-W221 AromaticContact CZ-CG 3.49Å; F208-W221 HydrophobicContact CZ-CG 3.49Å; F208-W221 VanDerWaalsContact CZ-CG 3.49Å; F208-W221 PolarHBondContact N-O 2.79Å; F208-W221 PolarHBondContact O-N 3.19Å; S210-W221 PolarHBondContact OG-NE1 3.12Å; K219-W221 HydrophobicContact CB-CZ2 4.45Å; K219-W221 HydrophobicContact CD-CZ2 4.09Å; W221-Y237 HydrophobicContact CB-CD1 4.46Å; W221-N238 CarbonylContact C-O 3.55Å; W221-N238 VanDerWaalsContact CA-O 3.27Å; W221-N238 WeakPolarHBondContact CA-O 3.22Å; W221-F239 HydrophobicContact CD2-CB 3.79Å; W221-F239 HydrophobicContact CD2-CD1 4.42Å; W221-F239 HydrophobicContact CD2-CG 4.42Å; W221-F239 HydrophobicContact CE3-CB 3.84Å; W221-F239 AromaticContact CE3-CD1 3.83Å; W221-F239 HydrophobicContact CE3-CD1 3.83Å; W221-F239 HydrophobicContact CE3-CG 4.23Å; W221-F239 HydrophobicContact CG-CB 4.11Å; W221-F239 AromaticContact CH2-CD1 3.7Å; W221-F239 HydrophobicContact CH2-CD1 3.7Å; W221-F239 HydrophobicContact CH2-CE1 4.1Å; W221-F239 HydrophobicContact CH2-CG 4.35Å; W221-F239 HydrophobicContact CZ2-CD1 4.31Å; W221-F239 HydrophobicContact CZ3-CB 4.31Å; W221-F239 AromaticContact CZ3-CD1 3.43Å; W221-F239 HydrophobicContact CZ3-CD1 3.43Å; W221-F239 VanDerWaalsContact CZ3-CD1 3.43Å; W221-F239 HydrophobicContact CZ3-CE1 4.12Å; W221-F239 HydrophobicContact CZ3-CG 4.2Å |
| 222 | F | 89.9 | Confident | 76.2 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153 | 176.3 | 54.8 | -85.8 | 0 | 0 | 0 | 110.9 | M207 D224 Y237 N238 V371 | M207-F222 HydrophobicContact CE-CB 3.77Å; M207-F222 HydrophobicContact CE-CD1 3.92Å; M207-F222 HydrophobicContact CE-CG 4.25Å; M207-F222 HydrophobicContact CG-CB 4.39Å; F222-D224 PolarHBondContact O-N 2.96Å; F222-Y237 VanDerWaalsContact C-CD1 3.49Å; F222-Y237 WeakPolarHBondContact O-CA 3.46Å; F222-Y237 WeakPolarHBondContact O-CD1 3.32Å; F222-N238 HydrophobicContact CD2-CB 4.47Å; F222-N238 HydrophobicContact CE2-CB 3.92Å; F222-N238 HydrophobicContact CZ-CB 3.95Å; F222-N238 PolarHBondContact N-O 2.77Å; F222-N238 PolarHBondContact O-N 3.16Å; F222-V371 HydrophobicContact CB-CG2 4.18Å; F222-V371 HydrophobicContact CD1-CB 4.26Å; F222-V371 HydrophobicContact CD1-CG2 4.33Å; F222-V371 HydrophobicContact CD2-CG2 4.12Å; F222-V371 HydrophobicContact CE1-CB 4.5Å; F222-V371 HydrophobicContact CG-CB 4.39Å; F222-V371 HydrophobicContact CG-CG2 3.96Å |
| 223 | C | 84.1 | Confident | 74.5 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 121.4 | 178.9 | -165 | 0 | 0 | 0 | 0 | 109.9 | S225 Y237 | C223-S225 PolarHBondContact O-N 3.14Å; C223-Y237 HydrophobicContact CB-CE1 4.14Å |
| 224 | D | 77.9 | Confident | 73.5 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | trans | -89.2 | 105.7 | 178.4 | -165.9 | -34.4 | 0 | 0 | 0 | 109.8 | F222 T226 S236 N238 | F222-D224 PolarHBondContact O-N 2.96Å; D224-T226 VanDerWaalsContact C-N 3.25Å; D224-T226 PolarHBondContact O-N 3.2Å; D224-T226 WeakPolarHBondContact OD1-CB 2.99Å; D224-T226 PolarHBondContact OD1-N 3.34Å; D224-T226 PolarHBondContact OD1-OG1 2.85Å; D224-S236 PolarHBondContact N-O 3.29Å; D224-S236 PolarHBondContact O-OG 3.32Å; D224-N238 HydrophobicContact CB-CB 4.08Å; D224-N238 PolarHBondContact OD2-ND2 3.47Å | ||
| 225 | S | 67.8 | Low | 73.1 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.8 | -179.9 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | C223 N369 | C223-S225 PolarHBondContact O-N 3.14Å; S225-N369 PolarHBondContact OG-ND2 3.01Å |
| 226 | T | 62.9 | Low | 72.8 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -35 | -179.8 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | D224 | D224-T226 VanDerWaalsContact C-N 3.25Å; D224-T226 PolarHBondContact O-N 3.2Å; D224-T226 WeakPolarHBondContact OD1-CB 2.99Å; D224-T226 PolarHBondContact OD1-N 3.34Å; D224-T226 PolarHBondContact OD1-OG1 2.85Å |
| 227 | E | 56.1 | Low | 72.5 | Confident | 73 Ų | 73 | 59 Ų | 59 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -32.6 | 179.6 | -77 | -76.2 | 106.5 | 0 | 0 | 113.1 | K229 K230 | E227-K229 PolarHBondContact O-N 3.38Å; E227-K230 PolarHBondContact O-N 3.36Å; E227-K230 IonicContact OE1-NZ 2.75Å; E227-K230 PolarHBondContact OE1-NZ 2.87Å |
| 228 | Q | 53 | Low | 72.2 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.8 | 178.4 | -74 | -172.7 | -34.7 | 0 | 0 | 114.2 | S236 | Q228-S236 VanDerWaalsContact CG-OG 3.29Å; Q228-S236 WeakPolarHBondContact CG-OG 3.41Å; Q228-S236 PolarHBondContact N-OG 3.33Å |
| 229 | K | 50.9 | Low | 72 | Confident | 188 Ų | 188 | 64.1 Ų | 64.1 | 82% | 0.817 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.6 | 178.9 | -69.9 | -177 | -179.8 | 174.5 | 0 | 114.5 | E227 | E227-K229 PolarHBondContact O-N 3.38Š|
| 230 | K | 52.4 | Low | 71.9 | Confident | 149 Ų | 149 | 64.8 Ų | 64.8 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -38.2 | -175.4 | -64.2 | -178.6 | -164.8 | 153.3 | 0 | 113.2 | E227 | E227-K230 PolarHBondContact O-N 3.36Å; E227-K230 IonicContact OE1-NZ 2.75Å; E227-K230 PolarHBondContact OE1-NZ 2.87Å |
| 231 | N | 42 | Very low | 71.9 | Confident | 115 Ų | 115 | 68.2 Ų | 68.2 | 62% | 0.615 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -114.7 | 112.6 | 179.1 | -67.1 | -27.1 | 0 | 0 | 0 | 109 | ||
| 232 | G | 45.8 | Very low | 71.9 | Confident | 76 Ų | 76 | 68 Ų | 68 | 78% | 0.784 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 147.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G234 | G232-G234 VanDerWaalsContact C-N 3.28Å; G232-G234 PolarHBondContact O-N 3.14Å; G232-G234 VanDerWaalsContact O-N 3.17Å |
| 233 | D | 54.5 | Low | 72.1 | Confident | 155 Ų | 155 | 76.3 Ų | 76.3 | 83% | 0.829 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 4.1 | 172.6 | -97.8 | -24.9 | 0 | 0 | 0 | 118.8 | ||
| 234 | G | 64.1 | Low | 72.6 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | trans | -105.9 | 136 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | G232 S236 | G232-G234 VanDerWaalsContact C-N 3.28Å; G232-G234 PolarHBondContact O-N 3.14Å; G232-G234 VanDerWaalsContact O-N 3.17Å; G234-S236 PolarHBondContact O-N 2.64Å | ||
| 235 | L | 77.1 | Confident | 73.3 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 18% | 0.183 | 41% | 0.409 | C | S | . | . | trans | -75.6 | 117.7 | 165.4 | -68.1 | 175.4 | 0 | 0 | 0 | 110.3 | V187 W188 Y237 | V187-L235 HydrophobicContact CB-CD1 4.1Å; V187-L235 HydrophobicContact CG2-CD1 3.68Å; W188-L235 HydrophobicContact CB-CB 4.42Å; L235-Y237 HydrophobicContact CB-CE2 4.2Å; L235-Y237 HydrophobicContact CD1-CE2 4.45Å | ||
| 236 | S | 84 | Confident | 74.5 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | trans | -91 | 126.7 | 171.9 | 40.4 | 0 | 0 | 0 | 0 | 112 | D224 Q228 G234 | D224-S236 PolarHBondContact N-O 3.29Å; D224-S236 PolarHBondContact O-OG 3.32Å; Q228-S236 VanDerWaalsContact CG-OG 3.29Å; Q228-S236 WeakPolarHBondContact CG-OG 3.41Å; Q228-S236 PolarHBondContact N-OG 3.33Å; G234-S236 PolarHBondContact O-N 2.64Å | ||
| 237 | Y | 87.3 | Confident | 75.9 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 12% | 0.122 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.2 | 172.6 | -80.3 | -88.3 | 0 | 0 | 0 | 110.7 | R127 M138 W188 F208 W221 F222 C223 L235 | R127-Y237 PolarHBondContact NH1-OH 3Å; M138-Y237 HydrophobicContact CE-CE2 3.93Å; W188-Y237 AromaticContact CD2-CD2 3.96Å; W188-Y237 HydrophobicContact CD2-CD2 3.96Å; W188-Y237 AromaticContact CG-CD2 3.97Å; W188-Y237 HydrophobicContact CG-CD2 3.97Å; W188-Y237 HydrophobicContact CZ2-CG 4.48Å; F208-Y237 HydrophobicContact CD1-CE1 4.21Å; F208-Y237 AromaticContact CE1-CD1 3.7Å; F208-Y237 HydrophobicContact CE1-CD1 3.7Å; F208-Y237 AromaticContact CE1-CE1 3.65Å; F208-Y237 HydrophobicContact CE1-CE1 3.65Å; F208-Y237 HydrophobicContact CE1-CG 4.29Å; F208-Y237 HydrophobicContact CZ-CD1 4.42Å; W221-Y237 HydrophobicContact CB-CD1 4.46Å; F222-Y237 VanDerWaalsContact C-CD1 3.49Å; F222-Y237 WeakPolarHBondContact O-CA 3.46Å; F222-Y237 WeakPolarHBondContact O-CD1 3.32Å; C223-Y237 HydrophobicContact CB-CE1 4.14Å; L235-Y237 HydrophobicContact CB-CE2 4.2Å; L235-Y237 HydrophobicContact CD1-CE2 4.45Å |
| 238 | N | 88.3 | Confident | 77.6 | Confident | 56 Ų | 56 | 74.1 Ų | 74.1 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 167.4 | 173.5 | -159.1 | -16 | 0 | 0 | 0 | 109 | W221 F222 D224 | W221-N238 CarbonylContact C-O 3.55Å; W221-N238 VanDerWaalsContact CA-O 3.27Å; W221-N238 WeakPolarHBondContact CA-O 3.22Å; F222-N238 HydrophobicContact CD2-CB 4.47Å; F222-N238 HydrophobicContact CE2-CB 3.92Å; F222-N238 HydrophobicContact CZ-CB 3.95Å; F222-N238 PolarHBondContact N-O 2.77Å; F222-N238 PolarHBondContact O-N 3.16Å; D224-N238 HydrophobicContact CB-CB 4.08Å; D224-N238 PolarHBondContact OD2-ND2 3.47Å |
| 239 | F | 90.6 | Very high | 79.5 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 37% | 0.368 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 145.4 | -174.6 | 63.5 | -91.5 | 0 | 0 | 0 | 115.5 | K219 V220 W221 L241 | K219-F239 HydrophobicContact CG-CD2 4.35Å; V220-F239 CarbonylContact O-C 3.14Å; V220-F239 VanDerWaalsContact O-CA 3.27Å; V220-F239 WeakPolarHBondContact O-CA 3.41Å; W221-F239 HydrophobicContact CD2-CB 3.79Å; W221-F239 HydrophobicContact CD2-CD1 4.42Å; W221-F239 HydrophobicContact CD2-CG 4.42Å; W221-F239 HydrophobicContact CE3-CB 3.84Å; W221-F239 AromaticContact CE3-CD1 3.83Å; W221-F239 HydrophobicContact CE3-CD1 3.83Å; W221-F239 HydrophobicContact CE3-CG 4.23Å; W221-F239 HydrophobicContact CG-CB 4.11Å; W221-F239 AromaticContact CH2-CD1 3.7Å; W221-F239 HydrophobicContact CH2-CD1 3.7Å; W221-F239 HydrophobicContact CH2-CE1 4.1Å; W221-F239 HydrophobicContact CH2-CG 4.35Å; W221-F239 HydrophobicContact CZ2-CD1 4.31Å; W221-F239 HydrophobicContact CZ3-CB 4.31Å; W221-F239 AromaticContact CZ3-CD1 3.43Å; W221-F239 HydrophobicContact CZ3-CD1 3.43Å; W221-F239 VanDerWaalsContact CZ3-CD1 3.43Å; W221-F239 HydrophobicContact CZ3-CE1 4.12Å; W221-F239 HydrophobicContact CZ3-CG 4.2Å; F239-L241 HydrophobicContact CD2-CD2 4.43Å; F239-L241 HydrophobicContact CD2-CG 4.27Å; F239-L241 HydrophobicContact CE2-CD1 4.43Å; F239-L241 HydrophobicContact CE2-CD2 4.35Å; F239-L241 HydrophobicContact CE2-CG 4.21Å |
| 240 | L | 92.7 | Very high | 81.5 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 149.4 | 169 | -172.1 | 72.8 | 0 | 0 | 0 | 110.2 | K219 V220 L242 F373 | K219-L240 CarbonylContact C-O 3.53Å; K219-L240 WeakPolarHBondContact CA-O 3.32Å; V220-L240 HydrophobicContact CB-CB 4.5Å; V220-L240 PolarHBondContact N-O 3.34Å; V220-L240 PolarHBondContact O-N 3.44Å; L240-L242 HydrophobicContact CD2-CD2 4.1Å; L240-F373 HydrophobicContact CD2-CB 3.82Å; L240-F373 HydrophobicContact CD2-CD2 3.82Å; L240-F373 HydrophobicContact CD2-CG 4.25Å |
| 241 | L | 93.9 | Very high | 83.5 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.3 | 176.4 | -73.2 | 167.4 | 0 | 0 | 0 | 111.6 | V217 K219 F239 | V217-L241 HydrophobicContact CB-CD2 4.2Å; V217-L241 HydrophobicContact CG2-CD2 4.12Å; K219-L241 HydrophobicContact CG-CD2 3.63Å; F239-L241 HydrophobicContact CD2-CD2 4.43Å; F239-L241 HydrophobicContact CD2-CG 4.27Å; F239-L241 HydrophobicContact CE2-CD1 4.43Å; F239-L241 HydrophobicContact CE2-CD2 4.35Å; F239-L241 HydrophobicContact CE2-CG 4.21Å |
| 242 | L | 94.9 | Very high | 86 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120 | 168.2 | -51.5 | 179.7 | 0 | 0 | 0 | 108.7 | V217 V218 V220 L240 L269 W281 F373 | V217-L242 CarbonylContact C-O 3.52Å; V217-L242 WeakPolarHBondContact CA-O 3.43Å; V218-L242 HydrophobicContact CB-CB 4.27Å; V218-L242 HydrophobicContact CB-CD1 4.5Å; V218-L242 PolarHBondContact N-O 2.91Å; V218-L242 PolarHBondContact O-N 2.96Å; V220-L242 HydrophobicContact CG2-CD1 3.74Å; V220-L242 HydrophobicContact CG2-CG 4Å; L240-L242 HydrophobicContact CD2-CD2 4.1Å; L242-L269 HydrophobicContact CD1-CD2 3.63Å; L242-W281 HydrophobicContact CB-CD2 4.47Å; L242-W281 HydrophobicContact CB-CH2 4.43Å; L242-W281 HydrophobicContact CB-CZ2 4.19Å; L242-W281 HydrophobicContact CD1-CB 4.23Å; L242-W281 HydrophobicContact CD1-CD2 4.04Å; L242-W281 HydrophobicContact CD1-CG 3.87Å; L242-W281 HydrophobicContact CD2-CD2 4.15Å; L242-W281 HydrophobicContact CD2-CE3 3.88Å; L242-W281 HydrophobicContact CD2-CZ3 4.22Å; L242-W281 HydrophobicContact CG-CD2 4.45Å; L242-F373 HydrophobicContact CD2-CB 3.86Å |
| 243 | R | 94.4 | Very high | 88.4 | Confident | 192 Ų | 192 | 47.6 Ų | 47.6 | 73% | 0.725 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.3 | -172.1 | -64.3 | -176.5 | 177.8 | 167.3 | 0.3 | 112.5 | V217 | V217-R243 HydrophobicContact CG1-CG 4.08Å |
| 244 | H | 94.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | trans | -122.3 | 155.4 | 179.4 | -69.8 | -100.8 | 0 | 0 | 0 | 111.5 | K216 K246 V248 T271 W281 | K216-H244 WeakPolarHBondContact O-CB 3.39Å; K216-H244 PolarHBondContact O-N 3.41Å; H244-K246 WeakPolarHBondContact CB-O 3.34Å; H244-V248 HydrophobicContact CB-CG2 3.71Å; H244-V248 WeakPolarHBondContact CD2-CG2 3.28Å; H244-V248 VanDerWaalsContact CG-CG2 3.42Å; H244-T271 PolarHBondContact CE1-OG1 2.73Å; H244-T271 VanDerWaalsContact CE1-OG1 3.24Å; H244-W281 AromaticContact CE1-CZ2 3.98Å; H244-W281 AromaticContact CE1-NE1 3.85Å; H244-W281 AromaticContact NE2-CZ2 3.72Å; H244-W281 AromaticContact NE2-NE1 3.72Å | ||
| 245 | P | 93.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -74.7 | -31.8 | -178.8 | 29.4 | -35 | 0 | 0 | 0 | 113.1 | D275 | P245-D275 WeakPolarHBondContact CG-OD2 3.25Š|
| 246 | K | 92.4 | Very high | 91.7 | Very high | 94 Ų | 94 | 42 Ų | 42 | 41% | 0.409 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -122.8 | -177.5 | 174.8 | -70.7 | -171.5 | -177 | -178 | 0 | 110 | H244 Q274 D275 | H244-K246 WeakPolarHBondContact CB-O 3.34Å; K246-Q274 HydrophobicContact CB-CB 4.22Å; K246-Q274 HydrophobicContact CD-CB 4.22Å; K246-Q274 WeakPolarHBondContact CD-O 3.43Å; K246-Q274 PolarHBondContact NZ-O 3.19Å; K246-D275 HydrophobicContact CD-CB 4.12Å |
| 247 | E | 91.7 | Very high | 91.2 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 13% | 0.131 | 20% | 0.199 | C | C | . | . | trans | -56.3 | 138.2 | 174.6 | 178.9 | 177.2 | 173.2 | 0 | 0 | 112.1 | R197 N214 D215 I249 C273 Q274 | R197-E247 IonicContact CZ-OE1 2.92Å; R197-E247 IonicContact NH1-OE1 3.43Å; R197-E247 PolarHBondContact NH1-OE1 3.48Å; R197-E247 IonicContact NH2-OE1 3.18Å; R197-E247 PolarHBondContact NH2-OE1 3.38Å; N214-E247 WeakPolarHBondContact CA-OE1 3.47Å; N214-E247 PolarHBondContact N-OE1 3.12Å; N214-E247 VanDerWaalsContact N-OE1 3.08Å; N214-E247 PolarHBondContact OD1-OE1 3.5Å; D215-E247 WeakPolarHBondContact O-CA 3.38Å; E247-I249 HydrophobicContact CG-CD1 4.09Å; E247-C273 WeakPolarHBondContact O-CA 3.39Å; E247-C273 PolarHBondContact O-SG 3.4Å; E247-C273 VanDerWaalsContact O-SG 3.32Å; E247-Q274 PolarHBondContact O-N 3.16Å | ||
| 248 | V | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.4 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 109 | R197 C211 D215 V218 H244 | R197-V248 PolarHBondContact NH1-O 3.42Å; R197-V248 VanDerWaalsContact NH1-O 3.09Å; C211-V248 PolarHBondContact SG-O 2.93Å; D215-V248 PolarHBondContact O-N 2.93Å; V218-V248 HydrophobicContact CG2-CB 4.41Å; V218-V248 HydrophobicContact CG2-CG1 3.84Å; V218-V248 HydrophobicContact CG2-CG2 4.23Å; H244-V248 HydrophobicContact CB-CG2 3.71Å; H244-V248 WeakPolarHBondContact CD2-CG2 3.28Å; H244-V248 VanDerWaalsContact CG-CG2 3.42Å |
| 249 | I | 91.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.077 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -32.7 | -179.1 | -58.9 | -55.3 | 0 | 0 | 0 | 111 | R197 E247 W272 Q274 T399 H541 | R197-I249 WeakPolarHBondContact CD-O 2.94Å; E247-I249 HydrophobicContact CG-CD1 4.09Å; I249-W272 PolarHBondContact N-O 3.3Å; I249-Q274 HydrophobicContact CD1-CB 4.5Å; I249-Q274 HydrophobicContact CG1-CB 4.5Å; I249-T399 HydrophobicContact CD1-CG2 4.37Å; I249-T399 HydrophobicContact CG1-CG2 3.69Å; I249-T399 WeakPolarHBondContact CG1-OG1 3.16Å; I249-H541 WeakPolarHBondContact CG2-ND1 3.39Å |
| 250 | G | 92.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q198 W272 | Q198-G250 VanDerWaalsContact OE1-CA 3.31Å; G250-W272 VanDerWaalsContact C-CE2 3.42Å; G250-W272 VanDerWaalsContact CA-CE2 3.48Å; G250-W272 PolarHBondContact N-O 3.12Å; G250-W272 PolarHBondContact O-N 2.84Å |
| 251 | F | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 159.5 | -179 | 63.7 | -95.7 | 0 | 0 | 0 | 113.2 | Q198 R200 A209 C211 V218 L269 L270 T271 W272 | Q198-F251 HydrophobicContact CB-CD1 4.49Å; Q198-F251 HydrophobicContact CB-CE1 3.84Å; Q198-F251 HydrophobicContact CB-CZ 4.26Å; Q198-F251 HydrophobicContact CG-CE1 3.95Å; Q198-F251 HydrophobicContact CG-CZ 3.96Å; Q198-F251 PolarHBondContact NE2-O 3.11Å; Q198-F251 PolarHBondContact OE1-O 3.07Å; R200-F251 HydrophobicContact CB-CE2 4.04Å; R200-F251 HydrophobicContact CG-CE2 4.41Å; A209-F251 HydrophobicContact CB-CD2 4.06Å; A209-F251 HydrophobicContact CB-CE1 4.48Å; A209-F251 HydrophobicContact CB-CE2 3.54Å; A209-F251 HydrophobicContact CB-CZ 3.8Å; A209-F251 VanDerWaalsContact O-CZ 3.24Å; A209-F251 WeakPolarHBondContact O-CZ 3.18Å; C211-F251 HydrophobicContact CB-CD1 3.99Å; C211-F251 HydrophobicContact CB-CE1 3.75Å; V218-F251 HydrophobicContact CG1-CD1 4.35Å; F251-L269 HydrophobicContact CB-CD1 4.12Å; F251-L269 HydrophobicContact CD2-CD1 3.7Å; F251-L269 HydrophobicContact CG-CD1 4.25Å; F251-L270 CarbonylContact C-O 3.46Å; F251-L270 WeakPolarHBondContact CA-O 2.97Å; F251-L270 VanDerWaalsContact CB-O 3.25Å; F251-L270 WeakPolarHBondContact CB-O 3.32Å; F251-T271 HydrophobicContact CB-CG2 3.9Å; F251-W272 VanDerWaalsContact C-CH2 3.47Å |
| 252 | E | 95.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 127.3 | 177.1 | -166 | -177.5 | 160.2 | 0 | 0 | 111.5 | L270 W272 H403 W404 | E252-L270 PolarHBondContact N-O 3.41Å; E252-L270 WeakPolarHBondContact O-CB 3.47Å; E252-L270 PolarHBondContact O-N 3.17Å; E252-W272 HydrophobicContact CB-CH2 4.1Å; E252-W272 HydrophobicContact CB-CZ3 3.86Å; E252-H403 IonicContact OE2-CE1 3.47Å; E252-H403 IonicContact OE2-CG 2.73Å; E252-H403 IonicContact OE2-ND1 2.65Å; E252-H403 PolarHBondContact OE2-ND1 3.29Å; E252-W404 PolarHBondContact O-NE1 3.35Å |
| 253 | W | 94.3 | Very high | 85.5 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.5 | 169.4 | -65.3 | 107.4 | 0 | 0 | 0 | 110.7 | R200 F201 P203 A209 V220 K255 N267 I268 L269 F373 | R200-W253 PolarHBondContact O-NE1 2.96Å; F201-W253 PolarHBondContact O-NE1 3.49Å; P203-W253 HydrophobicContact CG-CB 4.23Å; A209-W253 HydrophobicContact CB-CZ2 3.7Å; V220-W253 HydrophobicContact CG1-CH2 3.93Å; V220-W253 HydrophobicContact CG1-CZ2 4.25Å; W253-K255 PolarHBondContact O-N 3.07Å; W253-N267 HydrophobicContact CE3-CB 4.34Å; W253-N267 HydrophobicContact CZ3-CB 3.89Å; W253-I268 WeakPolarHBondContact CA-O 3.12Å; W253-L269 HydrophobicContact CD2-CD1 3.61Å; W253-L269 HydrophobicContact CE3-CB 3.91Å; W253-L269 HydrophobicContact CE3-CD1 3.86Å; W253-L269 HydrophobicContact CE3-CG 4.48Å; W253-L269 HydrophobicContact CG-CD1 4.03Å; W253-L269 HydrophobicContact CH2-CB 4.45Å; W253-L269 HydrophobicContact CH2-CD1 4.4Å; W253-L269 HydrophobicContact CZ2-CD1 4.19Å; W253-L269 HydrophobicContact CZ3-CB 3.85Å; W253-L269 HydrophobicContact CZ3-CD1 4.24Å; W253-F373 HydrophobicContact CH2-CE1 4.38Å; W253-F373 AromaticContact CH2-CZ 3.99Å; W253-F373 HydrophobicContact CH2-CZ 3.99Å; W253-F373 HydrophobicContact CZ3-CE1 4.02Å; W253-F373 AromaticContact CZ3-CZ 3.93Å; W253-F373 HydrophobicContact CZ3-CZ 3.93Å |
| 254 | R | 94 | Very high | 84.4 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 4% | 0.038 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 124.3 | 168.1 | 179.5 | -175.4 | 178.5 | -142.3 | 17.5 | 109.3 | P203 I268 W404 D492 D513 | P203-R254 WeakPolarHBondContact CG-O 3.22Å; R254-I268 HydrophobicContact CB-CB 4.05Å; R254-I268 PolarHBondContact N-O 2.94Å; R254-W404 HydrophobicContact CB-CD2 4.02Å; R254-W404 HydrophobicContact CB-CE3 4.48Å; R254-W404 HydrophobicContact CB-CG 4.43Å; R254-W404 HydrophobicContact CB-CH2 4.48Å; R254-W404 HydrophobicContact CB-CZ2 4.01Å; R254-W404 HydrophobicContact CG-CD2 4.24Å; R254-W404 HydrophobicContact CG-CE3 4.25Å; R254-W404 HydrophobicContact CG-CZ3 4.44Å; R254-D492 IonicContact CZ-OD1 3.73Å; R254-D492 VanDerWaalsContact CZ-OD1 3.3Å; R254-D492 IonicContact CZ-OD2 3.6Å; R254-D492 IonicContact NE-OD1 2.7Å; R254-D492 PolarHBondContact NE-OD1 3.07Å; R254-D492 IonicContact NE-OD2 3.26Å; R254-D492 IonicContact NH2-OD1 3.87Å; R254-D492 PolarHBondContact NH2-OD1 3.04Å; R254-D492 IonicContact NH2-OD2 2.94Å; R254-D492 PolarHBondContact NH2-OD2 2.79Å; R254-D513 IonicContact CZ-OD1 2.97Å; R254-D513 IonicContact CZ-OD2 2.73Å; R254-D513 IonicContact NH1-OD1 2.78Å; R254-D513 PolarHBondContact NH1-OD1 3.39Å; R254-D513 IonicContact NH1-OD2 3.3Å; R254-D513 IonicContact NH2-OD1 2.98Å; R254-D513 PolarHBondContact NH2-OD1 3.36Å; R254-D513 IonicContact NH2-OD2 3.49Å; R254-D513 PolarHBondContact NH2-OD2 3.44Å |
| 255 | K | 90 | Very high | 83.9 | Confident | 85 Ų | 85 | 37.5 Ų | 37.5 | 37% | 0.37 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -76.3 | 137.9 | -178.6 | -60.2 | -178.6 | -178.5 | -179.4 | 0 | 111.3 | W253 N406 E409 W487 | W253-K255 PolarHBondContact O-N 3.07Å; K255-N406 HydrophobicContact CB-CB 4.4Å; K255-N406 WeakPolarHBondContact CB-OD1 3.33Å; K255-N406 PolarHBondContact N-OD1 3.44Å; K255-E409 HydrophobicContact CB-CB 4.4Å; K255-E409 HydrophobicContact CB-CG 4.1Å; K255-W487 WeakPolarHBondContact O-CH2 3.48Å |
| 256 | S | 81.4 | Confident | 83.5 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | trans | -99.4 | -15.6 | 171.2 | 59.3 | 0 | 0 | 0 | 0 | 114 | P203 I260 | P203-S256 WeakPolarHBondContact CB-OG 3.46Å; S256-I260 VanDerWaalsContact O-CD1 3.23Å; S256-I260 WeakPolarHBondContact O-CD1 3.34Å; S256-I260 VanDerWaalsContact O-CG1 3.29Å; S256-I260 WeakPolarHBondContact O-CG1 3.41Å | ||
| 257 | G | 74.3 | Confident | 83.4 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | trans | 78.4 | 163.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y259 I260 E409 | G257-Y259 PolarHBondContact O-N 2.88Å; G257-I260 PolarHBondContact O-N 3.36Å; G257-E409 VanDerWaalsContact CA-CG 3.47Å; G257-E409 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 258 | R | 73.6 | Confident | 83.5 | Confident | 73 Ų | 73 | 30.6 Ų | 30.6 | 28% | 0.275 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -8.5 | -172.4 | 66.2 | 179.1 | 172.8 | 177.6 | -2.4 | 115.7 | E417 | R258-E417 IonicContact CZ-OE1 3.55Å; R258-E417 IonicContact NE-OE1 3.21Å; R258-E417 IonicContact NH2-OE1 3.2Å; R258-E417 PolarHBondContact NH2-OE1 3.16Å |
| 259 | Y | 75.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -8.4 | -175.7 | -59.2 | -70 | 0 | 0 | 0 | 113.6 | G257 H322 A416 E417 I420 | G257-Y259 PolarHBondContact O-N 2.88Å; Y259-H322 AromaticContact CD1-CE1 3.73Å; Y259-H322 AromaticContact CE1-CE1 3.53Å; Y259-H322 AromaticContact CE1-ND1 3.74Å; Y259-A416 HydrophobicContact CD1-CB 4.17Å; Y259-A416 HydrophobicContact CD2-CB 3.76Å; Y259-A416 HydrophobicContact CE2-CB 4.36Å; Y259-A416 HydrophobicContact CG-CB 3.62Å; Y259-E417 HydrophobicContact CE2-CG 3.76Å; Y259-E417 WeakPolarHBondContact CE2-OE1 3.49Å; Y259-E417 WeakPolarHBondContact OH-CG 3.44Å; Y259-E417 PolarHBondContact OH-OE1 2.91Å; Y259-I420 HydrophobicContact CD1-CD1 4.12Å; Y259-I420 HydrophobicContact CE1-CD1 3.49Å; Y259-I420 VanDerWaalsContact CE1-CD1 3.49Å |
| 260 | I | 77.5 | Confident | 83.9 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -91.6 | 124.5 | 173.5 | -63.3 | -169.8 | 0 | 0 | 0 | 108.6 | S256 G257 F264 V265 F412 W487 | S256-I260 VanDerWaalsContact O-CD1 3.23Å; S256-I260 WeakPolarHBondContact O-CD1 3.34Å; S256-I260 VanDerWaalsContact O-CG1 3.29Å; S256-I260 WeakPolarHBondContact O-CG1 3.41Å; G257-I260 PolarHBondContact O-N 3.36Å; I260-F264 HydrophobicContact CG2-CB 3.95Å; I260-V265 HydrophobicContact CD1-CG2 4.09Å; I260-V265 HydrophobicContact CG2-CB 4.46Å; I260-V265 HydrophobicContact CG2-CG2 3.89Å; I260-F412 HydrophobicContact CD1-CD1 3.97Å; I260-F412 HydrophobicContact CD1-CD2 4.11Å; I260-F412 HydrophobicContact CD1-CE1 4.11Å; I260-F412 HydrophobicContact CD1-CE2 4.22Å; I260-F412 HydrophobicContact CD1-CG 3.99Å; I260-F412 HydrophobicContact CD1-CZ 4.23Å; I260-F412 HydrophobicContact CG1-CD1 3.6Å; I260-F412 HydrophobicContact CG1-CD2 4.39Å; I260-F412 HydrophobicContact CG1-CE1 3.36Å; I260-F412 HydrophobicContact CG1-CE2 4.19Å; I260-F412 HydrophobicContact CG1-CG 4.13Å; I260-F412 HydrophobicContact CG1-CZ 3.68Å; I260-W487 HydrophobicContact CD1-CD2 4.04Å; I260-W487 HydrophobicContact CD1-CE3 3.58Å; I260-W487 HydrophobicContact CD1-CH2 4.21Å; I260-W487 HydrophobicContact CD1-CZ3 3.66Å |
| 261 | F | 65.3 | Low | 84 | Confident | 58 Ų | 58 | 29.8 Ų | 29.8 | 25% | 0.254 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -71.8 | 151.5 | 178.2 | -74.7 | -82.7 | 0 | 0 | 0 | 112.2 | G263 F264 L326 F329 | F261-G263 PolarHBondContact O-N 2.88Å; F261-F264 HydrophobicContact CB-CD2 3.55Å; F261-F264 HydrophobicContact CB-CE2 3.71Å; F261-F264 HydrophobicContact CB-CG 4.38Å; F261-F264 HydrophobicContact CG-CE2 4.43Å; F261-F264 WeakPolarHBondContact O-CB 3.47Å; F261-F264 PolarHBondContact O-N 2.95Å; F261-F264 VanDerWaalsContact O-N 3.13Å; F261-L326 HydrophobicContact CE1-CB 4.35Å; F261-L326 HydrophobicContact CE1-CD2 3.86Å; F261-L326 HydrophobicContact CE2-CD2 4.05Å; F261-L326 HydrophobicContact CZ-CB 4.13Å; F261-L326 HydrophobicContact CZ-CD2 3.47Å; F261-L326 VanDerWaalsContact CZ-CD2 3.47Å; F261-L326 HydrophobicContact CZ-CG 4.41Å; F261-F329 HydrophobicContact CE2-CB 3.9Å; F261-F329 HydrophobicContact CZ-CB 3.99Å |
| 262 | R | 68.2 | Low | 83.9 | Confident | 107 Ų | 107 | 30.2 Ų | 30.2 | 40% | 0.404 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 128.7 | 172.7 | -59.6 | -177 | 152.5 | 156.1 | -8.4 | 111.5 | D204 F264 E300 | D204-R262 HydrophobicContact CB-CB 4.36Å; D204-R262 HydrophobicContact CB-CG 4.12Å; D204-R262 VanDerWaalsContact O-CZ 3.28Å; D204-R262 PolarHBondContact O-NE 3.24Å; D204-R262 PolarHBondContact O-NH2 2.93Å; R262-F264 PolarHBondContact O-N 3.27Å; R262-E300 IonicContact NH1-OE1 3.52Å; R262-E300 PolarHBondContact NH1-OE1 3.29Å |
| 263 | G | 67.5 | Low | 83.8 | Confident | 53 Ų | 53 | 29.3 Ų | 29.3 | 55% | 0.546 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 16.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | F261 | F261-G263 PolarHBondContact O-N 2.88Š|
| 264 | F | 72.9 | Confident | 83.6 | Confident | 67 Ų | 67 | 31.3 Ų | 31.3 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -86.9 | -26 | 169.1 | -88.9 | -111.2 | 0 | 0 | 0 | 113.5 | I260 F261 R262 L484 | I260-F264 HydrophobicContact CG2-CB 3.95Å; F261-F264 HydrophobicContact CB-CD2 3.55Å; F261-F264 HydrophobicContact CB-CE2 3.71Å; F261-F264 HydrophobicContact CB-CG 4.38Å; F261-F264 HydrophobicContact CG-CE2 4.43Å; F261-F264 WeakPolarHBondContact O-CB 3.47Å; F261-F264 PolarHBondContact O-N 2.95Å; F261-F264 VanDerWaalsContact O-N 3.13Å; R262-F264 PolarHBondContact O-N 3.27Å; F264-L484 HydrophobicContact CD1-CD2 3.92Å; F264-L484 HydrophobicContact CE1-CD2 4.38Å |
| 265 | V | 83 | Confident | 83.4 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -129.5 | 139.5 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | I260 W487 | I260-V265 HydrophobicContact CD1-CG2 4.09Å; I260-V265 HydrophobicContact CG2-CB 4.46Å; I260-V265 HydrophobicContact CG2-CG2 3.89Å; V265-W487 HydrophobicContact CG1-CZ2 3.94Å; V265-W487 HydrophobicContact CG2-CD2 4.38Å; V265-W487 HydrophobicContact CG2-CG 4.47Å; V265-W487 HydrophobicContact CG2-CZ2 4.44Å |
| 266 | A | 85 | Confident | 83.3 | Confident | 39 Ų | 39 | 29.5 Ų | 29.5 | 32% | 0.322 | 16% | 0.159 | S | C | . | . | trans | -65.4 | 144 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I268 E283 | A266-I268 PolarHBondContact O-N 2.95Å; A266-E283 HydrophobicContact CB-CB 4.36Å | ||
| 267 | N | 89.9 | Confident | 83.8 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | trans | -72.5 | 126.4 | 173.5 | -66.5 | -73.6 | 0 | 0 | 0 | 109.8 | S202 D204 W253 E283 F373 | S202-N267 WeakPolarHBondContact CB-OD1 3.47Å; D204-N267 PolarHBondContact OD1-OD1 2.91Å; D204-N267 PolarHBondContact OD2-ND2 2.91Å; W253-N267 HydrophobicContact CE3-CB 4.34Å; W253-N267 HydrophobicContact CZ3-CB 3.89Å; N267-E283 HydrophobicContact CB-CB 4.34Å; N267-E283 VanDerWaalsContact CB-OE2 3.27Å; N267-E283 WeakPolarHBondContact CB-OE2 3.05Å; N267-E283 PolarHBondContact N-OE2 3.4Å; N267-E283 PolarHBondContact ND2-OE2 2.8Å; N267-E283 VanDerWaalsContact O-CB 3.26Å; N267-E283 WeakPolarHBondContact O-CB 3.41Å; N267-E283 PolarHBondContact O-N 3.48Å; N267-F373 HydrophobicContact CB-CZ 4.4Å; N267-F373 WeakPolarHBondContact O-CE1 3.14Å | ||
| 268 | I | 94.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.6 | -178.4 | -55.1 | -175.6 | 0 | 0 | 0 | 109.4 | W253 R254 A266 I280 W281 C282 W404 L512 | W253-I268 WeakPolarHBondContact CA-O 3.12Å; R254-I268 HydrophobicContact CB-CB 4.05Å; R254-I268 PolarHBondContact N-O 2.94Å; A266-I268 PolarHBondContact O-N 2.95Å; I268-I280 HydrophobicContact CG2-CG2 3.54Å; I268-W281 WeakPolarHBondContact CA-O 3.45Å; I268-C282 HydrophobicContact CG1-CB 4.34Å; I268-W404 HydrophobicContact CG2-CH2 3.97Å; I268-W404 HydrophobicContact CG2-CZ2 3.77Å; I268-L512 HydrophobicContact CD1-CB 4.13Å; I268-L512 HydrophobicContact CD1-CD2 4.28Å |
| 269 | L | 95.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.2 | -176.2 | -174.4 | 71.3 | 0 | 0 | 0 | 110.6 | A209 V218 V220 L242 F251 W253 T271 W281 | A209-L269 HydrophobicContact CB-CD1 4.41Å; A209-L269 HydrophobicContact CB-CD2 4.39Å; V218-L269 HydrophobicContact CG1-CD2 4.3Å; V220-L269 HydrophobicContact CG2-CD2 4.3Å; L242-L269 HydrophobicContact CD1-CD2 3.63Å; F251-L269 HydrophobicContact CB-CD1 4.12Å; F251-L269 HydrophobicContact CD2-CD1 3.7Å; F251-L269 HydrophobicContact CG-CD1 4.25Å; W253-L269 HydrophobicContact CD2-CD1 3.61Å; W253-L269 HydrophobicContact CE3-CB 3.91Å; W253-L269 HydrophobicContact CE3-CD1 3.86Å; W253-L269 HydrophobicContact CE3-CG 4.48Å; W253-L269 HydrophobicContact CG-CD1 4.03Å; W253-L269 HydrophobicContact CH2-CB 4.45Å; W253-L269 HydrophobicContact CH2-CD1 4.4Å; W253-L269 HydrophobicContact CZ2-CD1 4.19Å; W253-L269 HydrophobicContact CZ3-CB 3.85Å; W253-L269 HydrophobicContact CZ3-CD1 4.24Å; L269-T271 HydrophobicContact CD2-CG2 3.99Å; L269-T271 HydrophobicContact CG-CG2 4.07Å; L269-W281 HydrophobicContact CB-CB 4.45Å; L269-W281 PolarHBondContact N-O 3.24Å; L269-W281 PolarHBondContact O-N 2.86Å |
| 270 | L | 96.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 140.2 | 167.9 | -179.4 | 65.4 | 0 | 0 | 0 | 109.2 | F251 E252 R279 I280 V402 W404 L494 | F251-L270 CarbonylContact C-O 3.46Å; F251-L270 WeakPolarHBondContact CA-O 2.97Å; F251-L270 VanDerWaalsContact CB-O 3.25Å; F251-L270 WeakPolarHBondContact CB-O 3.32Å; E252-L270 PolarHBondContact N-O 3.41Å; E252-L270 WeakPolarHBondContact O-CB 3.47Å; E252-L270 PolarHBondContact O-N 3.17Å; L270-R279 CarbonylContact C-O 3.57Å; L270-R279 WeakPolarHBondContact CA-O 2.95Å; L270-I280 HydrophobicContact CD1-CG1 3.72Å; L270-V402 HydrophobicContact CD2-CB 4.34Å; L270-V402 HydrophobicContact CD2-CG1 4.26Å; L270-V402 WeakPolarHBondContact CD2-O 3.38Å; L270-W404 HydrophobicContact CB-CZ2 3.99Å; L270-W404 VanDerWaalsContact CB-NE1 3.32Å; L270-L494 HydrophobicContact CD1-CD2 4.08Å; L270-L494 HydrophobicContact CD2-CD2 3.6Å; L270-L494 HydrophobicContact CG-CD2 4.46Å |
| 271 | T | 96.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.8 | -178 | 50.4 | 0 | 0 | 0 | 0 | 109.5 | V218 H244 F251 L269 S278 R279 W281 | V218-T271 HydrophobicContact CG2-CG2 4.12Å; H244-T271 PolarHBondContact CE1-OG1 2.73Å; H244-T271 VanDerWaalsContact CE1-OG1 3.24Å; F251-T271 HydrophobicContact CB-CG2 3.9Å; L269-T271 HydrophobicContact CD2-CG2 3.99Å; L269-T271 HydrophobicContact CG-CG2 4.07Å; T271-S278 CarbonylContact O-C 3.59Å; T271-S278 WeakPolarHBondContact O-CA 2.94Å; T271-R279 PolarHBondContact N-O 3.38Å; T271-R279 PolarHBondContact O-N 3.11Å; T271-R279 WeakPolarHBondContact OG1-CB 3.41Å; T271-R279 PolarHBondContact OG1-O 2.95Å; T271-W281 PolarHBondContact OG1-NE1 2.86Å |
| 272 | W | 93.3 | Very high | 89 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.9 | 175.7 | 55.5 | 91.6 | 0 | 0 | 0 | 111.5 | I249 G250 F251 E252 S278 A401 H403 | I249-W272 PolarHBondContact N-O 3.3Å; G250-W272 VanDerWaalsContact C-CE2 3.42Å; G250-W272 VanDerWaalsContact CA-CE2 3.48Å; G250-W272 PolarHBondContact N-O 3.12Å; G250-W272 PolarHBondContact O-N 2.84Å; F251-W272 VanDerWaalsContact C-CH2 3.47Å; E252-W272 HydrophobicContact CB-CH2 4.1Å; E252-W272 HydrophobicContact CB-CZ3 3.86Å; W272-S278 WeakPolarHBondContact CB-OG 3.45Å; W272-A401 HydrophobicContact CD2-CB 4Å; W272-A401 HydrophobicContact CG-CB 4.04Å; W272-H403 AromaticContact CH2-CE1 3.74Å |
| 273 | C | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157 | -161.2 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | E247 D275 H276 | E247-C273 WeakPolarHBondContact O-CA 3.39Å; E247-C273 PolarHBondContact O-SG 3.4Å; E247-C273 VanDerWaalsContact O-SG 3.32Å; C273-D275 VanDerWaalsContact CB-OD1 3.22Å; C273-D275 WeakPolarHBondContact CB-OD1 3.49Å; C273-D275 PolarHBondContact O-N 3.07Å; C273-D275 VanDerWaalsContact SG-CG 3.56Å; C273-D275 PolarHBondContact SG-OD1 3.02Å; C273-H276 PolarHBondContact O-N 3.02Å |
| 274 | Q | 90 | Very high | 90.8 | Very high | 55 Ų | 55 | 22.5 Ų | 22.5 | 26% | 0.257 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 10.6 | -179.3 | -151.3 | -165.1 | 26.9 | 0 | 0 | 114.2 | K246 E247 I249 D397 T399 | K246-Q274 HydrophobicContact CB-CB 4.22Å; K246-Q274 HydrophobicContact CD-CB 4.22Å; K246-Q274 WeakPolarHBondContact CD-O 3.43Å; K246-Q274 PolarHBondContact NZ-O 3.19Å; E247-Q274 PolarHBondContact O-N 3.16Å; I249-Q274 HydrophobicContact CD1-CB 4.5Å; I249-Q274 HydrophobicContact CG1-CB 4.5Å; Q274-D397 PolarHBondContact NE2-OD1 3.11Å; Q274-T399 HydrophobicContact CB-CG2 4.13Å; Q274-T399 HydrophobicContact CG-CG2 3.77Å |
| 275 | D | 88.9 | Confident | 90.5 | Very high | 29 Ų | 29 | 22.1 Ų | 22.1 | 16% | 0.155 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5.4 | 165.4 | 64.9 | -7.4 | 0 | 0 | 0 | 112.6 | P245 K246 C273 I277 R279 | P245-D275 WeakPolarHBondContact CG-OD2 3.25Å; K246-D275 HydrophobicContact CD-CB 4.12Å; C273-D275 VanDerWaalsContact CB-OD1 3.22Å; C273-D275 WeakPolarHBondContact CB-OD1 3.49Å; C273-D275 PolarHBondContact O-N 3.07Å; C273-D275 VanDerWaalsContact SG-CG 3.56Å; C273-D275 PolarHBondContact SG-OD1 3.02Å; D275-I277 PolarHBondContact O-N 3.47Å; D275-I277 PolarHBondContact OD1-N 3.26Å; D275-I277 VanDerWaalsContact OD1-N 3.09Å; D275-R279 IonicContact OD1-NH1 3.74Å; D275-R279 PolarHBondContact OD1-NH1 2.91Å; D275-R279 IonicContact OD2-CZ 3.38Å; D275-R279 VanDerWaalsContact OD2-CZ 3.25Å; D275-R279 IonicContact OD2-NH1 2.71Å; D275-R279 PolarHBondContact OD2-NH1 3.28Å; D275-R279 IonicContact OD2-NH2 3.6Å; D275-R279 PolarHBondContact OD2-NH2 3.01Å |
| 276 | H | 88.6 | Confident | 89.1 | Confident | 29 Ų | 29 | 24.4 Ų | 24.4 | 13% | 0.134 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 63 | 12.8 | -175.8 | -46.7 | -81.5 | 0 | 0 | 0 | 114.3 | C273 V391 D392 | C273-H276 PolarHBondContact O-N 3.02Å; H276-V391 VanDerWaalsContact CE1-CG1 3.5Å; H276-V391 WeakPolarHBondContact CE1-CG1 3.35Å; H276-D392 IonicContact CD2-OD1 2.78Å |
| 277 | I | 92.4 | Very high | 87.2 | Confident | 42 Ų | 42 | 26.4 Ų | 26.4 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | trans | -105.2 | 120.9 | 179.2 | -57.9 | 173.9 | 0 | 0 | 0 | 109.8 | D275 R279 N380 | D275-I277 PolarHBondContact O-N 3.47Å; D275-I277 PolarHBondContact OD1-N 3.26Å; D275-I277 VanDerWaalsContact OD1-N 3.09Å; I277-R279 HydrophobicContact CG2-CG 4.3Å; I277-R279 PolarHBondContact O-NH1 3.1Å; I277-N380 HydrophobicContact CG1-CB 4.21Å | ||
| 278 | S | 94.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 144.4 | 171.2 | -66 | 0 | 0 | 0 | 0 | 110.9 | T271 W272 S378 I379 V402 | T271-S278 CarbonylContact O-C 3.59Å; T271-S278 WeakPolarHBondContact O-CA 2.94Å; W272-S278 WeakPolarHBondContact CB-OG 3.45Å; S278-S378 CarbonylContact O-C 3.59Å; S278-S378 VanDerWaalsContact O-CA 3.29Å; S278-S378 WeakPolarHBondContact O-CA 3.17Å; S278-I379 PolarHBondContact N-O 3.36Å; S278-I379 PolarHBondContact O-N 3.38Å; S278-V402 VanDerWaalsContact OG-CG2 3.31Å; S278-V402 WeakPolarHBondContact OG-CG2 3.34Å |
| 279 | R | 95.4 | Very high | 82 | Confident | 32 Ų | 32 | 34 Ų | 34 | 12% | 0.121 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.8 | -171.4 | -71.3 | 171.3 | -179 | 87.6 | -6.3 | 111.1 | L270 T271 D275 I277 L375 | L270-R279 CarbonylContact C-O 3.57Å; L270-R279 WeakPolarHBondContact CA-O 2.95Å; T271-R279 PolarHBondContact N-O 3.38Å; T271-R279 PolarHBondContact O-N 3.11Å; T271-R279 WeakPolarHBondContact OG1-CB 3.41Å; T271-R279 PolarHBondContact OG1-O 2.95Å; D275-R279 IonicContact OD1-NH1 3.74Å; D275-R279 PolarHBondContact OD1-NH1 2.91Å; D275-R279 IonicContact OD2-CZ 3.38Å; D275-R279 VanDerWaalsContact OD2-CZ 3.25Å; D275-R279 IonicContact OD2-NH1 2.71Å; D275-R279 PolarHBondContact OD2-NH1 3.28Å; D275-R279 IonicContact OD2-NH2 3.6Å; D275-R279 PolarHBondContact OD2-NH2 3.01Å; I277-R279 HydrophobicContact CG2-CG 4.3Å; I277-R279 PolarHBondContact O-NH1 3.1Å; R279-L375 HydrophobicContact CB-CD1 3.72Å; R279-L375 HydrophobicContact CG-CD1 4.06Å |
| 280 | I | 96.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.1 | -179.4 | -58.7 | 172.1 | 0 | 0 | 0 | 108.6 | I268 L270 S376 A377 I379 W404 L494 V509 L512 | I268-I280 HydrophobicContact CG2-CG2 3.54Å; L270-I280 HydrophobicContact CD1-CG1 3.72Å; I280-S376 PolarHBondContact O-N 3.06Å; I280-A377 HydrophobicContact CB-CB 4.31Å; I280-A377 HydrophobicContact CD1-CB 4.24Å; I280-A377 PolarHBondContact N-O 3.06Å; I280-A377 PolarHBondContact O-N 2.97Å; I280-I379 HydrophobicContact CD1-CD1 4.22Å; I280-W404 HydrophobicContact CD1-CH2 4.21Å; I280-W404 HydrophobicContact CG1-CH2 4.49Å; I280-W404 HydrophobicContact CG2-CH2 4.18Å; I280-W404 HydrophobicContact CG2-CZ2 4.31Å; I280-L494 HydrophobicContact CD1-CD1 4.46Å; I280-L494 HydrophobicContact CD1-CD2 4.39Å; I280-V509 HydrophobicContact CD1-CG2 4.17Å; I280-L512 HydrophobicContact CG2-CD2 3.8Å |
| 281 | W | 95.4 | Very high | 76.2 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.1 | 177.5 | -52 | 88.4 | 0 | 0 | 0 | 109.5 | L242 H244 I268 L269 T271 F373 H374 L375 | L242-W281 HydrophobicContact CB-CD2 4.47Å; L242-W281 HydrophobicContact CB-CH2 4.43Å; L242-W281 HydrophobicContact CB-CZ2 4.19Å; L242-W281 HydrophobicContact CD1-CB 4.23Å; L242-W281 HydrophobicContact CD1-CD2 4.04Å; L242-W281 HydrophobicContact CD1-CG 3.87Å; L242-W281 HydrophobicContact CD2-CD2 4.15Å; L242-W281 HydrophobicContact CD2-CE3 3.88Å; L242-W281 HydrophobicContact CD2-CZ3 4.22Å; L242-W281 HydrophobicContact CG-CD2 4.45Å; H244-W281 AromaticContact CE1-CZ2 3.98Å; H244-W281 AromaticContact CE1-NE1 3.85Å; H244-W281 AromaticContact NE2-CZ2 3.72Å; H244-W281 AromaticContact NE2-NE1 3.72Å; I268-W281 WeakPolarHBondContact CA-O 3.45Å; L269-W281 HydrophobicContact CB-CB 4.45Å; L269-W281 PolarHBondContact N-O 3.24Å; L269-W281 PolarHBondContact O-N 2.86Å; T271-W281 PolarHBondContact OG1-NE1 2.86Å; W281-F373 HydrophobicContact CB-CD1 4.06Å; W281-H374 CarbonylContact C-O 3.5Å; W281-H374 VanDerWaalsContact CA-O 3.29Å; W281-H374 WeakPolarHBondContact CA-O 3.37Å; W281-L375 HydrophobicContact CD2-CB 4.5Å; W281-L375 HydrophobicContact CD2-CD1 4.1Å; W281-L375 HydrophobicContact CE3-CB 3.84Å; W281-L375 HydrophobicContact CE3-CD1 4.27Å; W281-L375 HydrophobicContact CH2-CB 4.36Å; W281-L375 HydrophobicContact CH2-CD1 4.45Å; W281-L375 HydrophobicContact CZ2-CD1 4.28Å; W281-L375 HydrophobicContact CZ3-CB 3.76Å; W281-L375 HydrophobicContact CZ3-CD1 4.44Å |
| 282 | C | 92.5 | Very high | 73.3 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.9 | 178.6 | -65.4 | 0 | 0 | 0 | 0 | 111 | I268 T284 F373 H374 S376 | I268-C282 HydrophobicContact CG1-CB 4.34Å; C282-T284 PolarHBondContact O-N 2.74Å; C282-F373 WeakPolarHBondContact O-CA 3.48Å; C282-H374 VanDerWaalsContact CB-CE1 3.49Å; C282-H374 WeakPolarHBondContact CB-CE1 3.43Å; C282-H374 PolarHBondContact N-O 3.37Å; C282-H374 PolarHBondContact O-N 2.75Å; C282-H374 PolarHBondContact O-ND1 3.21Å; C282-S376 VanDerWaalsContact CB-OG 3.29Å; C282-S376 WeakPolarHBondContact CB-OG 3.32Å; C282-S376 PolarHBondContact SG-OG 3.31Å |
| 283 | E | 90 | Very high | 70.4 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 124.5 | 168.3 | -178.2 | -179 | -170 | 0 | 0 | 110.2 | A266 N267 S285 V371 F373 | A266-E283 HydrophobicContact CB-CB 4.36Å; N267-E283 HydrophobicContact CB-CB 4.34Å; N267-E283 VanDerWaalsContact CB-OE2 3.27Å; N267-E283 WeakPolarHBondContact CB-OE2 3.05Å; N267-E283 PolarHBondContact N-OE2 3.4Å; N267-E283 PolarHBondContact ND2-OE2 2.8Å; N267-E283 VanDerWaalsContact O-CB 3.26Å; N267-E283 WeakPolarHBondContact O-CB 3.41Å; N267-E283 PolarHBondContact O-N 3.48Å; E283-S285 PolarHBondContact O-N 3.36Å; E283-V371 HydrophobicContact CG-CG1 4.38Å; E283-F373 HydrophobicContact CB-CE1 4.02Å; E283-F373 HydrophobicContact CB-CE2 4.25Å; E283-F373 HydrophobicContact CB-CZ 3.86Å; E283-F373 HydrophobicContact CG-CE2 4.48Å; E283-F373 HydrophobicContact CG-CZ 4.46Å |
| 284 | T | 83 | Confident | 67.3 | Low | 58 Ų | 58 | 61.8 Ų | 61.8 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | trans | -86.8 | 93.8 | 175.1 | -52.1 | 0 | 0 | 0 | 0 | 108.9 | C282 H372 H374 | C282-T284 PolarHBondContact O-N 2.74Å; T284-H372 PolarHBondContact N-O 2.92Å; T284-H372 PolarHBondContact OG1-ND1 2.82Å; T284-H374 PolarHBondContact OG1-ND1 2.82Å | ||
| 285 | S | 67.9 | Low | 64.4 | Low | 58 Ų | 58 | 64 Ų | 64 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | trans | -68.4 | 125.7 | 169.7 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | E283 A287 | E283-S285 PolarHBondContact O-N 3.36Å; S285-A287 PolarHBondContact O-N 2.66Å | ||
| 286 | P | 53.4 | Low | 61.8 | Low | 72 Ų | 72 | 68.7 Ų | 68.7 | 47% | 0.468 | 39% | 0.392 | S | S | . | . | trans | -67.3 | 117 | -179.8 | 26.4 | -33.1 | 0 | 0 | 0 | 110.5 | S288 E289 | P286-S288 PolarHBondContact O-N 3.07Å; P286-E289 PolarHBondContact O-N 2.83Å | ||
| 287 | A | 45.3 | Very low | 58.9 | Low | 81 Ų | 81 | 78 Ų | 78 | 67% | 0.669 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -62.1 | -10.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S285 | S285-A287 PolarHBondContact O-N 2.66Š|
| 288 | S | 38.3 | Very low | 56 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 74% | 0.741 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -77.8 | -13.7 | 177.7 | 45.8 | 0 | 0 | 0 | 0 | 114.9 | P286 C290 | P286-S288 PolarHBondContact O-N 3.07Å; S288-C290 VanDerWaalsContact C-N 3.31Å; S288-C290 PolarHBondContact O-N 3.03Å |
| 289 | E | 36.1 | Very low | 53 | Low | 65 Ų | 65 | 83.9 Ų | 83.9 | 30% | 0.304 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -89.1 | 24.1 | 178.8 | -71.8 | -154.7 | 128.6 | 0 | 0 | 114.8 | P286 D291 W292 | P286-E289 PolarHBondContact O-N 2.83Å; E289-D291 CarbonylContact O-C 3.52Å; E289-D291 PolarHBondContact O-N 2.92Å; E289-D291 VanDerWaalsContact O-N 3.1Å; E289-W292 HydrophobicContact CB-CH2 4.12Å; E289-W292 HydrophobicContact CB-CZ2 4.12Å; E289-W292 HydrophobicContact CB-CZ3 4.36Å; E289-W292 VanDerWaalsContact O-CE2 3.26Å; E289-W292 VanDerWaalsContact O-CG 3.3Å; E289-W292 PolarHBondContact O-N 2.6Å; E289-W292 PolarHBondContact O-NE1 3.49Å; E289-W292 VanDerWaalsContact O-NE1 3.09Å; E289-W292 WeakPolarHBondContact OE2-CZ3 3.3Å |
| 290 | C | 38.3 | Very low | 49.9 | Very low | 119 Ų | 119 | 86.9 Ų | 86.9 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -63.8 | -10.7 | 168 | -116 | 0 | 0 | 0 | 0 | 113.5 | S288 W292 | S288-C290 VanDerWaalsContact C-N 3.31Å; S288-C290 PolarHBondContact O-N 3.03Å; C290-W292 VanDerWaalsContact C-N 3.34Å; C290-W292 PolarHBondContact O-N 2.81Å |
| 291 | D | 31.4 | Very low | 46.9 | Very low | 120 Ų | 120 | 89.3 Ų | 89.3 | 64% | 0.642 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -89 | 68.5 | 158.7 | -165.9 | 1.9 | 0 | 0 | 0 | 111.1 | E289 G293 K337 | E289-D291 CarbonylContact O-C 3.52Å; E289-D291 PolarHBondContact O-N 2.92Å; E289-D291 VanDerWaalsContact O-N 3.1Å; D291-G293 VanDerWaalsContact C-N 3.27Å; D291-G293 PolarHBondContact O-N 2.83Å; D291-K337 IonicContact OD1-NZ 3.76Å; D291-K337 PolarHBondContact OD1-NZ 2.99Å |
| 292 | W | 36.2 | Very low | 43.7 | Very low | 133 Ų | 133 | 92.2 Ų | 92.2 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | trans | -62.5 | 87.5 | 175.3 | -72.5 | 103.4 | 0 | 0 | 0 | 110.5 | E289 C290 K337 | E289-W292 HydrophobicContact CB-CH2 4.12Å; E289-W292 HydrophobicContact CB-CZ2 4.12Å; E289-W292 HydrophobicContact CB-CZ3 4.36Å; E289-W292 VanDerWaalsContact O-CE2 3.26Å; E289-W292 VanDerWaalsContact O-CG 3.3Å; E289-W292 PolarHBondContact O-N 2.6Å; E289-W292 PolarHBondContact O-NE1 3.49Å; E289-W292 VanDerWaalsContact O-NE1 3.09Å; E289-W292 WeakPolarHBondContact OE2-CZ3 3.3Å; C290-W292 VanDerWaalsContact C-N 3.34Å; C290-W292 PolarHBondContact O-N 2.81Å; W292-K337 PolarHBondContact O-NZ 2.85Å | ||
| 293 | G | 31 | Very low | 41 | Very low | 48 Ų | 48 | 95.3 Ų | 95.3 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | trans | -134.4 | -9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D291 | D291-G293 VanDerWaalsContact C-N 3.27Å; D291-G293 PolarHBondContact O-N 2.83Å | ||
| 294 | Q | 28.7 | Very low | 38.1 | Very low | 171 Ų | 171 | 101.5 Ų | 101.5 | 80% | 0.799 | 57% | 0.573 | S | S | * | * | trans | -104 | 118.8 | 174.2 | -64.3 | -160.4 | 16.6 | 0 | 0 | 111.1 | Y296 | Q294-Y296 PolarHBondContact O-N 2.88Š| ||
| 295 | S | 28.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 102.5 Ų | 102.5 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | trans | -73.5 | 113.9 | 170.7 | -168.4 | 0 | 0 | 0 | 0 | 108.1 | R297 | S295-R297 PolarHBondContact O-N 2.77Š| ||
| 296 | Y | 34.3 | Very low | 33.8 | Very low | 127 Ų | 127 | 106.2 Ų | 106.2 | 50% | 0.498 | 61% | 0.608 | S | S | . | * | trans | -52.9 | 126.2 | 151.6 | -76.1 | -82.3 | 0 | 0 | 0 | 107.4 | Q294 T298 N369 | Q294-Y296 PolarHBondContact O-N 2.88Å; Y296-T298 PolarHBondContact O-N 3.35Å; Y296-N369 PolarHBondContact OH-OD1 2.88Å | ||
| 297 | R | 27.5 | Very low | 32.7 | Very low | 226 Ų | 226 | 109.2 Ų | 109.2 | 85% | 0.853 | 62% | 0.619 | S | S | * | * | trans | -74.1 | 69.1 | 169.5 | -77 | -170.8 | 175.4 | -162.1 | -1.5 | 108.5 | S295 S299 | S295-R297 PolarHBondContact O-N 2.77Å; R297-S299 PolarHBondContact O-N 3Å | ||
| 298 | T | 31.9 | Very low | 32 | Very low | 101 Ų | 101 | 110.4 Ų | 110.4 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | trans | -78.9 | 104.5 | 150.5 | -25.4 | 0 | 0 | 0 | 0 | 105.4 | Y296 E300 | Y296-T298 PolarHBondContact O-N 3.35Å; T298-E300 PolarHBondContact O-N 3.35Å | ||
| 299 | S | 30.9 | Very low | 31.5 | Very low | 65 Ų | 65 | 113.5 Ų | 113.5 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | trans | -69.4 | 58 | 168.6 | 36.8 | 0 | 0 | 0 | 0 | 110.5 | R297 | R297-S299 PolarHBondContact O-N 3Š| ||
| 300 | E | 31.1 | Very low | 31.2 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 44% | 0.444 | 65% | 0.649 | S | S | . | * | trans | -74.3 | 124.7 | 157.7 | -92.9 | -173.7 | -169.2 | 0 | 0 | 108.3 | R262 T298 K330 | R262-E300 IonicContact NH1-OE1 3.52Å; R262-E300 PolarHBondContact NH1-OE1 3.29Å; T298-E300 PolarHBondContact O-N 3.35Å; E300-K330 IonicContact OE2-NZ 2.77Å; E300-K330 PolarHBondContact OE2-NZ 3.36Å | ||
| 301 | P | 32.4 | Very low | 30.8 | Very low | 51 Ų | 51 | 117.6 Ų | 117.6 | 33% | 0.331 | 65% | 0.649 | S | S | . | * | trans | -71.4 | 137.1 | -179 | 26.4 | -34.7 | 0 | 0 | 0 | 114.1 | Y147 A303 | Y147-P301 HydrophobicContact CD1-CB 4.05Å; Y147-P301 HydrophobicContact CD1-CG 3.55Å; Y147-P301 HydrophobicContact CD2-CG 4.07Å; Y147-P301 HydrophobicContact CE1-CB 3.25Å; Y147-P301 HydrophobicContact CE1-CG 3.3Å; Y147-P301 HydrophobicContact CE2-CB 3.87Å; Y147-P301 HydrophobicContact CE2-CG 3.81Å; Y147-P301 HydrophobicContact CG-CG 4Å; Y147-P301 VanDerWaalsContact CZ-CG 3.49Å; Y147-P301 VanDerWaalsContact OH-CB 3.25Å; Y147-P301 WeakPolarHBondContact OH-CB 3.48Å; P301-A303 VanDerWaalsContact C-N 3.3Å; P301-A303 PolarHBondContact O-N 2.84Å; P301-A303 VanDerWaalsContact O-N 3.14Å | ||
| 302 | T | 29.2 | Very low | 30.7 | Very low | 89 Ų | 89 | 116.7 Ų | 116.7 | 55% | 0.546 | 66% | 0.658 | S | S | . | * | trans | -78.7 | 87.7 | 153.1 | -53.9 | 0 | 0 | 0 | 0 | 107.6 | Q304 | T302-Q304 VanDerWaalsContact C-N 3.34Å; T302-Q304 PolarHBondContact O-N 3.08Å | ||
| 303 | A | 34.5 | Very low | 30.5 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | trans | -66.9 | 92.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P301 A305 | P301-A303 VanDerWaalsContact C-N 3.3Å; P301-A303 PolarHBondContact O-N 2.84Å; P301-A303 VanDerWaalsContact O-N 3.14Å; A303-A305 PolarHBondContact O-N 2.81Å | ||
| 304 | Q | 30.2 | Very low | 30.4 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -72.3 | 82.8 | 159 | -76.8 | -174.2 | -31 | 0 | 0 | 108.3 | T302 T306 | T302-Q304 VanDerWaalsContact C-N 3.34Å; T302-Q304 PolarHBondContact O-N 3.08Å; Q304-T306 VanDerWaalsContact C-N 3.29Å; Q304-T306 PolarHBondContact O-N 2.8Å; Q304-T306 VanDerWaalsContact O-N 3.08Å | ||
| 305 | A | 33.6 | Very low | 30.5 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | trans | -78.8 | 79.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A303 L307 | A303-A305 PolarHBondContact O-N 2.81Å; A305-L307 PolarHBondContact O-N 2.97Å; A305-L307 VanDerWaalsContact O-N 3.08Å | ||
| 306 | T | 27.6 | Very low | 30.7 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -72.9 | 83.2 | 149.5 | 47.3 | 0 | 0 | 0 | 0 | 107.3 | Q304 | Q304-T306 VanDerWaalsContact C-N 3.29Å; Q304-T306 PolarHBondContact O-N 2.8Å; Q304-T306 VanDerWaalsContact O-N 3.08Å | ||
| 307 | L | 29.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 71% | 0.707 | 69% | 0.693 | S | S | * | * | trans | -63 | 141.9 | 161.8 | -72.1 | 165.5 | 0 | 0 | 0 | 108.2 | A305 | A305-L307 PolarHBondContact O-N 2.97Å; A305-L307 VanDerWaalsContact O-N 3.08Å | ||
| 308 | P | 29.8 | Very low | 31.7 | Very low | 106 Ų | 106 | 118 Ų | 118 | 69% | 0.688 | 66% | 0.66 | S | S | * | * | trans | -65.7 | 139.6 | 166.7 | 29.6 | -32.8 | 0 | 0 | 0 | 109.1 | T310 | P308-T310 PolarHBondContact O-N 3.29Š| ||
| 309 | D | 28 | Very low | 32.3 | Very low | 172 Ų | 172 | 117.6 Ų | 117.6 | 92% | 0.92 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -60.9 | 108.2 | 173 | -86.4 | -47 | 0 | 0 | 0 | 110 | ||
| 310 | T | 30.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 73% | 0.73 | 66% | 0.66 | S | S | * | * | trans | -157.7 | 141.4 | 161.4 | -7.5 | 0 | 0 | 0 | 0 | 109 | P308 | P308-T310 PolarHBondContact O-N 3.29Š| ||
| 311 | D | 29.6 | Very low | 33.4 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 81% | 0.807 | 66% | 0.655 | S | S | * | * | trans | 66.3 | 66.7 | -178.5 | -62.6 | -6.3 | 0 | 0 | 0 | 117.8 | Q313 | D311-Q313 PolarHBondContact O-N 3.24Š| ||
| 312 | A | 29.4 | Very low | 34.3 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | trans | -69 | 88.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 313 | Q | 30.8 | Very low | 35.2 | Very low | 190 Ų | 190 | 125.4 Ų | 125.4 | 89% | 0.888 | 66% | 0.657 | S | S | * | * | trans | -178.3 | 69.9 | 154.9 | -104.4 | 168.5 | 48.4 | 0 | 0 | 112.7 | D311 | D311-Q313 PolarHBondContact O-N 3.24Š| ||
| 314 | R | 28.9 | Very low | 35.7 | Very low | 231 Ų | 231 | 125 Ų | 125 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | trans | -135.8 | 141.4 | 163.2 | -70.2 | -170.4 | -178.1 | 178.5 | 3.6 | 110.8 | ||||
| 315 | P | 32.2 | Very low | 36.7 | Very low | 121 Ų | 121 | 118.2 Ų | 118.2 | 79% | 0.786 | 62% | 0.615 | S | S | * | * | trans | -67.7 | 145.3 | -175.5 | 27.2 | -34.4 | 0 | 0 | 0 | 112.2 | H317 | P315-H317 PolarHBondContact O-N 2.91Š| ||
| 316 | F | 32.7 | Very low | 37.6 | Very low | 179 Ų | 179 | 116.4 Ų | 116.4 | 79% | 0.785 | 59% | 0.594 | S | S | * | * | trans | -63.1 | 112.9 | -177.9 | -86.5 | -98.6 | 0 | 0 | 0 | 111.7 | ||||
| 317 | H | 42.4 | Very low | 38.6 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 40% | 0.403 | 57% | 0.57 | S | S | . | * | trans | -88 | 125 | 179.8 | -161 | -12.4 | 0 | 0 | 0 | 110.9 | D24 P315 K319 Y320 | D24-H317 IonicContact OD2-CE1 3.14Å; D24-H317 PolarHBondContact OD2-CE1 2.79Å; D24-H317 VanDerWaalsContact OD2-CE1 3.26Å; P315-H317 PolarHBondContact O-N 2.91Å; H317-K319 PolarHBondContact O-N 2.86Å; H317-Y320 PolarHBondContact O-N 3.13Å | ||
| 318 | P | 40.7 | Very low | 39.6 | Very low | 26 Ų | 26 | 113.7 Ų | 113.7 | 17% | 0.169 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -57.2 | -19.2 | -174.8 | 15.5 | -32.3 | 0 | 0 | 0 | 116.4 | Y320 L321 H322 W554 | P318-Y320 PolarHBondContact O-N 2.8Å; P318-L321 PolarHBondContact O-N 3.48Å; P318-H322 PolarHBondContact O-N 3.07Å; P318-W554 HydrophobicContact CB-CE3 4.4Å; P318-W554 HydrophobicContact CB-CH2 4.01Å; P318-W554 HydrophobicContact CB-CZ3 3.49Å; P318-W554 VanDerWaalsContact CB-CZ3 3.49Å; P318-W554 HydrophobicContact CG-CE3 4.36Å; P318-W554 HydrophobicContact CG-CH2 4.33Å; P318-W554 HydrophobicContact CG-CZ3 3.81Å |
| 319 | K | 43.9 | Very low | 40.6 | Very low | 92 Ų | 92 | 110.2 Ų | 110.2 | 40% | 0.4 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58 | -33.1 | 172.9 | -70.9 | 171.4 | 178.4 | 136.7 | 0 | 113 | D24 H317 R323 | D24-K319 VanDerWaalsContact CG-NZ 3.26Å; D24-K319 WeakPolarHBondContact OD1-CE 3.45Å; D24-K319 IonicContact OD1-NZ 3.93Å; D24-K319 PolarHBondContact OD1-NZ 2.97Å; D24-K319 WeakPolarHBondContact OD2-CE 3.23Å; D24-K319 IonicContact OD2-NZ 3.13Å; D24-K319 PolarHBondContact OD2-NZ 2.78Å; H317-K319 PolarHBondContact O-N 2.86Å; K319-R323 PolarHBondContact O-N 3.22Å; K319-R323 VanDerWaalsContact O-N 3.17Å |
| 320 | Y | 42.7 | Very low | 41.5 | Very low | 172 Ų | 172 | 106.7 Ų | 106.7 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.2 | -39.2 | 173.3 | -91.9 | -90.5 | 0 | 0 | 0 | 112.2 | H317 P318 R323 T324 | H317-Y320 PolarHBondContact O-N 3.13Å; P318-Y320 PolarHBondContact O-N 2.8Å; Y320-R323 PolarHBondContact O-N 2.94Å; Y320-T324 VanDerWaalsContact O-CB 3.26Å; Y320-T324 WeakPolarHBondContact O-CB 3.42Å; Y320-T324 PolarHBondContact O-N 2.81Å; Y320-T324 PolarHBondContact O-OG1 3.08Å |
| 321 | L | 41.6 | Very low | 42.2 | Very low | 64 Ų | 64 | 105.7 Ų | 105.7 | 34% | 0.335 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 178.9 | -68.5 | 171.2 | 0 | 0 | 0 | 111.5 | P318 T324 F325 L424 | P318-L321 PolarHBondContact O-N 3.48Å; L321-T324 PolarHBondContact O-N 3.42Å; L321-F325 WeakPolarHBondContact O-CB 3.41Å; L321-F325 PolarHBondContact O-N 2.99Å; L321-L424 HydrophobicContact CD1-CD1 4.49Å; L321-L424 HydrophobicContact CD1-CD2 3.91Å; L321-L424 HydrophobicContact CD2-CD2 4.08Å |
| 322 | H | 51.4 | Low | 42.9 | Very low | 57 Ų | 57 | 101 Ų | 101 | 26% | 0.264 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 173.6 | -174.3 | 55.8 | 0 | 0 | 0 | 111.6 | Y259 P318 T324 F325 L326 | Y259-H322 AromaticContact CD1-CE1 3.73Å; Y259-H322 AromaticContact CE1-CE1 3.53Å; Y259-H322 AromaticContact CE1-ND1 3.74Å; P318-H322 PolarHBondContact O-N 3.07Å; H322-T324 VanDerWaalsContact C-N 3.32Å; H322-T324 PolarHBondContact O-N 2.82Å; H322-F325 PolarHBondContact O-N 3.29Å; H322-L326 WeakPolarHBondContact O-CB 3.44Å; H322-L326 VanDerWaalsContact O-CG 3.25Å; H322-L326 WeakPolarHBondContact O-CG 3.43Å; H322-L326 PolarHBondContact O-N 3.26Å |
| 323 | R | 48.9 | Very low | 43.6 | Very low | 170 Ų | 170 | 103.2 Ų | 103.2 | 64% | 0.642 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.5 | -36.9 | 174.7 | -75.8 | -179 | 75.5 | 171.7 | 4.3 | 112.9 | K319 Y320 H327 | K319-R323 PolarHBondContact O-N 3.22Å; K319-R323 VanDerWaalsContact O-N 3.17Å; Y320-R323 PolarHBondContact O-N 2.94Å; R323-H327 WeakPolarHBondContact O-CB 3.23Å; R323-H327 PolarHBondContact O-N 2.85Å |
| 324 | T | 45.1 | Very low | 44.1 | Very low | 63 Ų | 63 | 101.9 Ų | 101.9 | 39% | 0.387 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.8 | -42 | -179.8 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | Y320 L321 H322 H327 R328 | Y320-T324 VanDerWaalsContact O-CB 3.26Å; Y320-T324 WeakPolarHBondContact O-CB 3.42Å; Y320-T324 PolarHBondContact O-N 2.81Å; Y320-T324 PolarHBondContact O-OG1 3.08Å; L321-T324 PolarHBondContact O-N 3.42Å; H322-T324 VanDerWaalsContact C-N 3.32Å; H322-T324 PolarHBondContact O-N 2.82Å; T324-H327 PolarHBondContact O-N 2.95Å; T324-R328 WeakPolarHBondContact O-CG 3.43Å; T324-R328 PolarHBondContact O-N 3.25Å |
| 325 | F | 50.9 | Low | 44.7 | Very low | 32 Ų | 32 | 98.9 Ų | 98.9 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.9 | -53.5 | 172.4 | -168.4 | -99.5 | 0 | 0 | 0 | 109.6 | L321 H322 H327 R328 F329 I420 A423 | L321-F325 WeakPolarHBondContact O-CB 3.41Å; L321-F325 PolarHBondContact O-N 2.99Å; H322-F325 PolarHBondContact O-N 3.29Å; F325-H327 VanDerWaalsContact C-N 3.32Å; F325-H327 PolarHBondContact O-N 3.33Å; F325-R328 WeakPolarHBondContact O-CB 3.36Å; F325-R328 PolarHBondContact O-N 3.3Å; F325-R328 VanDerWaalsContact O-N 3.12Å; F325-F329 HydrophobicContact CD1-CD2 4.07Å; F325-F329 AromaticContact CD1-CE2 3.72Å; F325-F329 HydrophobicContact CD1-CE2 3.72Å; F325-F329 HydrophobicContact CD2-CE2 4.16Å; F325-F329 HydrophobicContact CE1-CD2 4.13Å; F325-F329 AromaticContact CE1-CE2 3.45Å; F325-F329 HydrophobicContact CE1-CE2 3.45Å; F325-F329 VanDerWaalsContact CE1-CE2 3.45Å; F325-F329 HydrophobicContact CE1-CZ 4.31Å; F325-F329 AromaticContact CE2-CE2 3.92Å; F325-F329 HydrophobicContact CE2-CE2 3.92Å; F325-F329 HydrophobicContact CE2-CZ 4.49Å; F325-F329 HydrophobicContact CG-CE2 4.08Å; F325-F329 AromaticContact CZ-CE2 3.56Å; F325-F329 HydrophobicContact CZ-CE2 3.56Å; F325-F329 HydrophobicContact CZ-CZ 4.09Å; F325-F329 WeakPolarHBondContact O-CD2 3.43Å; F325-F329 PolarHBondContact O-N 3.47Å; F325-I420 HydrophobicContact CD1-CD1 4.28Å; F325-I420 HydrophobicContact CD1-CG1 3.96Å; F325-I420 HydrophobicContact CD2-CG1 4.22Å; F325-I420 HydrophobicContact CE1-CD1 4.24Å; F325-I420 HydrophobicContact CE1-CG1 3.7Å; F325-I420 HydrophobicContact CE2-CG1 3.99Å; F325-I420 HydrophobicContact CG-CG1 4.21Å; F325-I420 HydrophobicContact CZ-CG1 3.71Å; F325-A423 HydrophobicContact CE2-CB 4.23Å |
| 326 | L | 52.7 | Low | 45.1 | Very low | 40 Ų | 40 | 102.6 Ų | 102.6 | 21% | 0.209 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 176 | -67.7 | 171.8 | 0 | 0 | 0 | 113 | F261 H322 F329 K330 | F261-L326 HydrophobicContact CE1-CB 4.35Å; F261-L326 HydrophobicContact CE1-CD2 3.86Å; F261-L326 HydrophobicContact CE2-CD2 4.05Å; F261-L326 HydrophobicContact CZ-CB 4.13Å; F261-L326 HydrophobicContact CZ-CD2 3.47Å; F261-L326 VanDerWaalsContact CZ-CD2 3.47Å; F261-L326 HydrophobicContact CZ-CG 4.41Å; H322-L326 WeakPolarHBondContact O-CB 3.44Å; H322-L326 VanDerWaalsContact O-CG 3.25Å; H322-L326 WeakPolarHBondContact O-CG 3.43Å; H322-L326 PolarHBondContact O-N 3.26Å; L326-F329 PolarHBondContact O-N 2.95Å; L326-K330 PolarHBondContact O-N 3.43Å |
| 327 | H | 49.7 | Very low | 45.4 | Very low | 71 Ų | 71 | 100.2 Ų | 100.2 | 33% | 0.329 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.5 | -116.6 | -94 | 0 | 0 | 0 | 112.5 | R323 T324 F325 F329 K330 H331 | R323-H327 WeakPolarHBondContact O-CB 3.23Å; R323-H327 PolarHBondContact O-N 2.85Å; T324-H327 PolarHBondContact O-N 2.95Å; F325-H327 VanDerWaalsContact C-N 3.32Å; F325-H327 PolarHBondContact O-N 3.33Å; H327-F329 PolarHBondContact O-N 3.08Å; H327-K330 PolarHBondContact O-N 3.48Å; H327-H331 PolarHBondContact O-CD2 2.77Å; H327-H331 PolarHBondContact O-N 3.24Å |
| 328 | R | 48.9 | Very low | 45.2 | Very low | 144 Ų | 144 | 101.9 Ų | 101.9 | 54% | 0.543 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.6 | -39.1 | 177.2 | -74.6 | 177 | 179.4 | -176.1 | 3.5 | 111.2 | T324 F325 E427 | T324-R328 WeakPolarHBondContact O-CG 3.43Å; T324-R328 PolarHBondContact O-N 3.25Å; F325-R328 WeakPolarHBondContact O-CB 3.36Å; F325-R328 PolarHBondContact O-N 3.3Å; F325-R328 VanDerWaalsContact O-N 3.12Å; R328-E427 IonicContact CZ-OE1 3.66Å; R328-E427 IonicContact NH1-OE1 2.86Å; R328-E427 PolarHBondContact NH1-OE1 2.79Å; R328-E427 IonicContact NH2-OE1 3.66Å; R328-E427 PolarHBondContact NH2-OE1 3.42Å |
| 329 | F | 51.3 | Low | 44.9 | Very low | 32 Ų | 32 | 109.9 Ų | 109.9 | 14% | 0.14 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -74.1 | -36.2 | 174.8 | -69.1 | -75.2 | 0 | 0 | 0 | 114 | F261 F325 L326 H327 H331 L332 I476 D477 | F261-F329 HydrophobicContact CE2-CB 3.9Å; F261-F329 HydrophobicContact CZ-CB 3.99Å; F325-F329 HydrophobicContact CD1-CD2 4.07Å; F325-F329 AromaticContact CD1-CE2 3.72Å; F325-F329 HydrophobicContact CD1-CE2 3.72Å; F325-F329 HydrophobicContact CD2-CE2 4.16Å; F325-F329 HydrophobicContact CE1-CD2 4.13Å; F325-F329 AromaticContact CE1-CE2 3.45Å; F325-F329 HydrophobicContact CE1-CE2 3.45Å; F325-F329 VanDerWaalsContact CE1-CE2 3.45Å; F325-F329 HydrophobicContact CE1-CZ 4.31Å; F325-F329 AromaticContact CE2-CE2 3.92Å; F325-F329 HydrophobicContact CE2-CE2 3.92Å; F325-F329 HydrophobicContact CE2-CZ 4.49Å; F325-F329 HydrophobicContact CG-CE2 4.08Å; F325-F329 AromaticContact CZ-CE2 3.56Å; F325-F329 HydrophobicContact CZ-CE2 3.56Å; F325-F329 HydrophobicContact CZ-CZ 4.09Å; F325-F329 WeakPolarHBondContact O-CD2 3.43Å; F325-F329 PolarHBondContact O-N 3.47Å; L326-F329 PolarHBondContact O-N 2.95Å; H327-F329 PolarHBondContact O-N 3.08Å; F329-H331 PolarHBondContact O-N 2.71Å; F329-L332 HydrophobicContact CD1-CD2 4.23Å; F329-L332 VanDerWaalsContact O-CB 3.25Å; F329-L332 WeakPolarHBondContact O-CB 3.33Å; F329-L332 PolarHBondContact O-N 3.5Å; F329-I476 HydrophobicContact CZ-CG2 4.06Å; F329-D477 VanDerWaalsContact CE1-OD1 3.32Å; F329-D477 WeakPolarHBondContact CE1-OD1 3.29Å |
| 330 | K | 46.7 | Very low | 44.5 | Very low | 98 Ų | 98 | 114.3 Ų | 114.3 | 43% | 0.426 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.5 | -30.4 | 175.2 | -160.7 | 169.7 | -173.7 | 172.3 | 0 | 112.1 | E300 L326 H327 | E300-K330 IonicContact OE2-NZ 2.77Å; E300-K330 PolarHBondContact OE2-NZ 3.36Å; L326-K330 PolarHBondContact O-N 3.43Å; H327-K330 PolarHBondContact O-N 3.48Å |
| 331 | H | 45.2 | Very low | 44 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -18.8 | 172.4 | -77.5 | -81.1 | 0 | 0 | 0 | 114.8 | H327 F329 R334 | H327-H331 PolarHBondContact O-CD2 2.77Å; H327-H331 PolarHBondContact O-N 3.24Å; F329-H331 PolarHBondContact O-N 2.71Å; H331-R334 PolarHBondContact O-N 3.11Å |
| 332 | L | 44.9 | Very low | 43.7 | Very low | 54 Ų | 54 | 116.2 Ų | 116.2 | 28% | 0.283 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.8 | -41.6 | -177.7 | -158.4 | 70.7 | 0 | 0 | 0 | 111.8 | F329 R334 K335 | F329-L332 HydrophobicContact CD1-CD2 4.23Å; F329-L332 VanDerWaalsContact O-CB 3.25Å; F329-L332 WeakPolarHBondContact O-CB 3.33Å; F329-L332 PolarHBondContact O-N 3.5Å; L332-R334 PolarHBondContact O-N 2.66Å; L332-K335 PolarHBondContact O-N 3.39Å |
| 333 | R | 43.7 | Very low | 42.8 | Very low | 147 Ų | 147 | 118.1 Ų | 118.1 | 56% | 0.555 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -56.6 | -31.9 | 176.1 | -131.9 | 180 | -171.2 | -178.5 | 3.3 | 112.4 | ||
| 334 | R | 41.2 | Very low | 42 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 61% | 0.611 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.7 | -28.1 | 176.8 | -74.1 | -180 | 170 | 146.8 | -4 | 114.1 | H331 L332 | H331-R334 PolarHBondContact O-N 3.11Å; L332-R334 PolarHBondContact O-N 2.66Å |
| 335 | K | 42.5 | Very low | 41.6 | Very low | 167 Ų | 167 | 119.9 Ų | 119.9 | 73% | 0.726 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -80 | -14.5 | -176.1 | -79.1 | -170.8 | 172.9 | -176.3 | 0 | 114.6 | L332 K337 | L332-K335 PolarHBondContact O-N 3.39Å; K335-K337 VanDerWaalsContact C-N 3.25Å; K335-K337 PolarHBondContact O-N 3.11Å |
| 336 | K | 40.8 | Very low | 40.5 | Very low | 200 Ų | 200 | 125.6 Ų | 125.6 | 87% | 0.87 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -5.9 | 176.8 | -141.2 | 171.8 | -174 | 174.4 | 0 | 113.9 | ||
| 337 | K | 38.4 | Very low | 39.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 56% | 0.557 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 22.2 | -174.6 | -143.8 | 165.4 | -167.4 | 166 | 0 | 115 | D291 W292 K335 | D291-K337 IonicContact OD1-NZ 3.76Å; D291-K337 PolarHBondContact OD1-NZ 2.99Å; W292-K337 PolarHBondContact O-NZ 2.85Å; K335-K337 VanDerWaalsContact C-N 3.25Å; K335-K337 PolarHBondContact O-N 3.11Å |
| 338 | V | 39.2 | Very low | 38.5 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 75% | 0.745 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -128.7 | 24.3 | -177.8 | -161.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 339 | K | 34 | Very low | 37.4 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | trans | -145.7 | 81.6 | 168.9 | -84.5 | -166.5 | 173.9 | -176.4 | 0 | 111.2 | ||||
| 340 | H | 35.8 | Very low | 36.5 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 85% | 0.852 | 71% | 0.705 | S | S | * | * | trans | -162 | 85.5 | 147.2 | -116.8 | -72.5 | 0 | 0 | 0 | 110.4 | ||||
| 341 | D | 30.7 | Very low | 35.4 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | trans | -145.3 | 93.4 | 163.1 | -122.8 | -14.4 | 0 | 0 | 0 | 107 | ||||
| 342 | S | 36.6 | Very low | 34.7 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 162 | 140.9 | 167.7 | -78.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 343 | A | 32.2 | Very low | 34 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -95 | 157.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 344 | N | 30.9 | Very low | 33 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | 92.6 | 137.8 | 139 | -119.2 | -1.9 | 0 | 0 | 0 | 121.7 | ||||
| 345 | V | 36.4 | Very low | 32.5 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 70% | 0.697 | 80% | 0.798 | S | S | * | * | trans | 80.6 | 107.6 | 162.4 | -166.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 346 | N | 29.1 | Very low | 31.7 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 19.9 | 128.4 | 142.6 | -53.4 | -15.1 | 0 | 0 | 0 | 119 | ||||
| 347 | S | 32.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | -171.6 | 149.9 | 59.2 | 68.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 348 | S | 27.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | 54.7 | 140.9 | 139.5 | -52.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 349 | Y | 26.8 | Very low | 29.9 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | 85 | 66.8 | 162.2 | -48.7 | -68.6 | 0 | 0 | 0 | 119.4 | ||||
| 350 | S | 31.2 | Very low | 29.7 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -137.6 | 132.8 | 131.4 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 351 | R | 23.8 | Very low | 29.2 | Very low | 260 Ų | 260 | 139 Ų | 139 | 98% | 0.981 | 80% | 0.804 | S | S | * | * | trans | -91.2 | 106 | 174.5 | -67.7 | -178.9 | -176.2 | 176.4 | 1.5 | 108 | ||||
| 352 | S | 31.6 | Very low | 29.1 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -117.4 | 143.7 | 158.5 | 61.4 | 0 | 0 | 0 | 0 | 108.9 | G354 | S352-G354 PolarHBondContact O-N 3.18Š| ||
| 353 | L | 28.3 | Very low | 28.7 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | trans | -64.7 | 129.4 | -170.1 | -70 | 146.9 | 0 | 0 | 0 | 110.6 | ||||
| 354 | G | 24.6 | Very low | 28.6 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 133.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S352 | S352-G354 PolarHBondContact O-N 3.18Š| ||
| 355 | L | 30.2 | Very low | 28.4 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -126.8 | 117.8 | 149.5 | -110.5 | 94.7 | 0 | 0 | 0 | 108.3 | ||||
| 356 | S | 25.2 | Very low | 28.2 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -83.9 | 124.8 | 167.3 | 49 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 357 | T | 29.5 | Very low | 28.5 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 61% | 0.607 | 81% | 0.807 | S | S | * | * | trans | -153 | 84.4 | 165.7 | -36.2 | 0 | 0 | 0 | 0 | 111.9 | T359 | T357-T359 WeakPolarHBondContact CG2-OG1 3.35Å; T357-T359 PolarHBondContact O-N 3.03Å | ||
| 358 | D | 24.8 | Very low | 28.8 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -73.2 | 72.3 | 161.6 | -76.1 | -46.2 | 0 | 0 | 0 | 110.2 | ||||
| 359 | T | 27.3 | Very low | 30 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | -161.5 | 89 | 167.7 | 14.6 | 0 | 0 | 0 | 0 | 110.4 | T357 | T357-T359 WeakPolarHBondContact CG2-OG1 3.35Å; T357-T359 PolarHBondContact O-N 3.03Å | ||
| 360 | F | 28.8 | Very low | 31.8 | Very low | 213 Ų | 213 | 135.3 Ų | 135.3 | 93% | 0.934 | 78% | 0.776 | S | S | * | * | trans | 170.5 | 63 | 145.2 | -92.3 | -61.7 | 0 | 0 | 0 | 110 | ||||
| 361 | A | 26.4 | Very low | 34.1 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -115.4 | 68.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 362 | T | 26.8 | Very low | 37.2 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -160 | 66 | 174 | 14.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 363 | C | 28.7 | Very low | 40 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 89% | 0.885 | 69% | 0.689 | S | S | * | * | trans | -145 | 138.2 | 149.4 | -146.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 364 | G | 29.5 | Very low | 43 | Very low | 63 Ų | 63 | 114.7 Ų | 114.7 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | trans | -84.9 | -176.1 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 365 | D | 28.4 | Very low | 46.3 | Very low | 162 Ų | 162 | 115.1 Ų | 115.1 | 87% | 0.866 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -48.9 | 167.5 | 171.1 | -73 | -65.6 | 0 | 0 | 0 | 114.8 | ||
| 366 | E | 30.9 | Very low | 49.3 | Very low | 186 Ų | 186 | 108.3 Ų | 108.3 | 87% | 0.869 | 61% | 0.613 | S | S | * | * | trans | 91.6 | 1.3 | 170.9 | -52.1 | -162.2 | 159.1 | 0 | 0 | 119.3 | S368 | E366-S368 PolarHBondContact O-N 2.91Š| ||
| 367 | L | 35.7 | Very low | 52.5 | Low | 142 Ų | 142 | 103.5 Ų | 103.5 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | trans | -86 | 61.9 | 175.9 | -82.5 | 156.5 | 0 | 0 | 0 | 114.5 | ||||
| 368 | S | 38.3 | Very low | 55.6 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 59% | 0.587 | 57% | 0.574 | S | S | * | * | trans | -89 | 128.3 | 166.6 | 62.2 | 0 | 0 | 0 | 0 | 112 | E366 Y370 | E366-S368 PolarHBondContact O-N 2.91Å; S368-Y370 PolarHBondContact O-N 2.95Å | ||
| 369 | N | 52.4 | Low | 58.9 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 66 | 15.8 | 167.9 | -63.2 | 4.1 | 0 | 0 | 0 | 119.2 | S225 Y296 | S225-N369 PolarHBondContact OG-ND2 3.01Å; Y296-N369 PolarHBondContact OH-OD1 2.88Å |
| 370 | Y | 64.9 | Low | 61.9 | Low | 162 Ų | 162 | 90.8 Ų | 90.8 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | trans | -89.8 | 121.8 | 173.5 | -80.1 | -81.6 | 0 | 0 | 0 | 112.9 | S368 | S368-Y370 PolarHBondContact O-N 2.95Š| ||
| 371 | V | 80.3 | Confident | 64.5 | Low | 36 Ų | 36 | 80.7 Ų | 80.7 | 22% | 0.218 | 47% | 0.466 | C | S | . | . | trans | -79.4 | 129.4 | 172.3 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | M207 F222 E283 F373 | M207-V371 HydrophobicContact CE-CB 4Å; M207-V371 HydrophobicContact CE-CG1 3.55Å; M207-V371 HydrophobicContact CE-CG2 4.29Å; M207-V371 HydrophobicContact SD-CG1 3.89Å; F222-V371 HydrophobicContact CB-CG2 4.18Å; F222-V371 HydrophobicContact CD1-CB 4.26Å; F222-V371 HydrophobicContact CD1-CG2 4.33Å; F222-V371 HydrophobicContact CD2-CG2 4.12Å; F222-V371 HydrophobicContact CE1-CB 4.5Å; F222-V371 HydrophobicContact CG-CB 4.39Å; F222-V371 HydrophobicContact CG-CG2 3.96Å; E283-V371 HydrophobicContact CG-CG1 4.38Å; V371-F373 HydrophobicContact CG1-CD2 4.35Å; V371-F373 HydrophobicContact CG1-CE2 3.96Å | ||
| 372 | H | 88.1 | Confident | 67.2 | Low | 103 Ų | 103 | 78.1 Ų | 78.1 | 48% | 0.477 | 44% | 0.438 | S | S | . | . | trans | -122.4 | 143.2 | -179.1 | -177.8 | -89.3 | 0 | 0 | 0 | 111.2 | T284 | T284-H372 PolarHBondContact N-O 2.92Å; T284-H372 PolarHBondContact OG1-ND1 2.82Å | ||
| 373 | F | 91.4 | Very high | 70 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 4% | 0.044 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.8 | 171.8 | -83.3 | -103.9 | 0 | 0 | 0 | 109.8 | M207 V220 L240 L242 W253 N267 W281 C282 E283 V371 | M207-F373 HydrophobicContact CE-CE2 3.88Å; M207-F373 HydrophobicContact SD-CE2 3.69Å; M207-F373 HydrophobicContact SD-CZ 3.96Å; V220-F373 HydrophobicContact CG1-CE2 4.2Å; L240-F373 HydrophobicContact CD2-CB 3.82Å; L240-F373 HydrophobicContact CD2-CD2 3.82Å; L240-F373 HydrophobicContact CD2-CG 4.25Å; L242-F373 HydrophobicContact CD2-CB 3.86Å; W253-F373 HydrophobicContact CH2-CE1 4.38Å; W253-F373 AromaticContact CH2-CZ 3.99Å; W253-F373 HydrophobicContact CH2-CZ 3.99Å; W253-F373 HydrophobicContact CZ3-CE1 4.02Å; W253-F373 AromaticContact CZ3-CZ 3.93Å; W253-F373 HydrophobicContact CZ3-CZ 3.93Å; N267-F373 HydrophobicContact CB-CZ 4.4Å; N267-F373 WeakPolarHBondContact O-CE1 3.14Å; W281-F373 HydrophobicContact CB-CD1 4.06Å; C282-F373 WeakPolarHBondContact O-CA 3.48Å; E283-F373 HydrophobicContact CB-CE1 4.02Å; E283-F373 HydrophobicContact CB-CE2 4.25Å; E283-F373 HydrophobicContact CB-CZ 3.86Å; E283-F373 HydrophobicContact CG-CE2 4.48Å; E283-F373 HydrophobicContact CG-CZ 4.46Å; V371-F373 HydrophobicContact CG1-CD2 4.35Å; V371-F373 HydrophobicContact CG1-CE2 3.96Å |
| 374 | H | 90.9 | Very high | 72.7 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 37% | 0.37 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 148.3 | 174.1 | 70.5 | -71.6 | 0 | 0 | 0 | 110.7 | W281 C282 T284 S376 | W281-H374 CarbonylContact C-O 3.5Å; W281-H374 VanDerWaalsContact CA-O 3.29Å; W281-H374 WeakPolarHBondContact CA-O 3.37Å; C282-H374 VanDerWaalsContact CB-CE1 3.49Å; C282-H374 WeakPolarHBondContact CB-CE1 3.43Å; C282-H374 PolarHBondContact N-O 3.37Å; C282-H374 PolarHBondContact O-N 2.75Å; C282-H374 PolarHBondContact O-ND1 3.21Å; T284-H374 PolarHBondContact OG1-ND1 2.82Å; H374-S376 PolarHBondContact CD2-OG 2.74Å; H374-S376 VanDerWaalsContact CD2-OG 3.32Å; H374-S376 PolarHBondContact NE2-OG 3.22Å; H374-S376 PolarHBondContact O-N 2.89Å |
| 375 | L | 93.5 | Very high | 75.3 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 44% | 0.44 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109 | 172 | -179.7 | 67.6 | 0 | 0 | 0 | 108.4 | R279 W281 | R279-L375 HydrophobicContact CB-CD1 3.72Å; R279-L375 HydrophobicContact CG-CD1 4.06Å; W281-L375 HydrophobicContact CD2-CB 4.5Å; W281-L375 HydrophobicContact CD2-CD1 4.1Å; W281-L375 HydrophobicContact CE3-CB 3.84Å; W281-L375 HydrophobicContact CE3-CD1 4.27Å; W281-L375 HydrophobicContact CH2-CB 4.36Å; W281-L375 HydrophobicContact CH2-CD1 4.45Å; W281-L375 HydrophobicContact CZ2-CD1 4.28Å; W281-L375 HydrophobicContact CZ3-CB 3.76Å; W281-L375 HydrophobicContact CZ3-CD1 4.44Å |
| 376 | S | 92.6 | Very high | 77.7 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -32.6 | -177.1 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | I280 C282 H374 | I280-S376 PolarHBondContact O-N 3.06Å; C282-S376 VanDerWaalsContact CB-OG 3.29Å; C282-S376 WeakPolarHBondContact CB-OG 3.32Å; C282-S376 PolarHBondContact SG-OG 3.31Å; H374-S376 PolarHBondContact CD2-OG 2.74Å; H374-S376 VanDerWaalsContact CD2-OG 3.32Å; H374-S376 PolarHBondContact NE2-OG 3.22Å; H374-S376 PolarHBondContact O-N 2.89Å |
| 377 | A | 93.5 | Very high | 80 | Confident | 14 Ų | 14 | 67 Ų | 67 | 12% | 0.116 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 162.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I280 V521 | I280-A377 HydrophobicContact CB-CB 4.31Å; I280-A377 HydrophobicContact CD1-CB 4.24Å; I280-A377 PolarHBondContact N-O 3.06Å; I280-A377 PolarHBondContact O-N 2.97Å; A377-V521 HydrophobicContact CB-CG2 3.58Å |
| 378 | S | 94 | Very high | 82 | Confident | 70 Ų | 70 | 61 Ų | 61 | 49% | 0.49 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.8 | 171.3 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | S278 | S278-S378 CarbonylContact O-C 3.59Å; S278-S378 VanDerWaalsContact O-CA 3.29Å; S278-S378 WeakPolarHBondContact O-CA 3.17Å |
| 379 | I | 94.2 | Very high | 83.7 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.5 | -177.8 | -55.8 | 179.7 | 0 | 0 | 0 | 108.5 | S278 I280 V402 L494 W507 V521 | S278-I379 PolarHBondContact N-O 3.36Å; S278-I379 PolarHBondContact O-N 3.38Å; I280-I379 HydrophobicContact CD1-CD1 4.22Å; I379-V402 HydrophobicContact CD1-CG1 4.08Å; I379-V402 HydrophobicContact CG2-CG2 4.24Å; I379-L494 HydrophobicContact CD1-CD1 4.49Å; I379-L494 HydrophobicContact CD1-CD2 4.12Å; I379-W507 HydrophobicContact CG2-CD2 3.88Å; I379-W507 VanDerWaalsContact CG2-CE2 3.47Å; I379-W507 HydrophobicContact CG2-CG 4.2Å; I379-W507 HydrophobicContact CG2-CH2 4.49Å; I379-W507 HydrophobicContact CG2-CZ2 3.83Å; I379-V521 HydrophobicContact CG1-CG1 4.05Å; I379-V521 HydrophobicContact CG1-CG2 4.35Å |
| 380 | N | 90.1 | Very high | 84.7 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 19% | 0.193 | 31% | 0.314 | C | S | . | . | trans | -144.5 | 102 | 179.7 | 176.4 | 2.1 | 0 | 0 | 0 | 110.4 | I277 N382 T383 D384 | I277-N380 HydrophobicContact CG1-CB 4.21Å; N380-N382 PolarHBondContact O-N 3.06Å; N380-N382 VanDerWaalsContact O-N 3.12Å; N380-N382 WeakPolarHBondContact OD1-CB 3.49Å; N380-N382 PolarHBondContact OD1-N 3.02Å; N380-T383 WeakPolarHBondContact CB-OG1 3.47Å; N380-T383 PolarHBondContact O-N 3.18Å; N380-T383 PolarHBondContact O-OG1 3.42Å; N380-D384 PolarHBondContact N-OD2 2.69Å; N380-D384 WeakPolarHBondContact O-CB 3.31Å; N380-D384 PolarHBondContact O-N 2.81Å; N380-D384 VanDerWaalsContact O-OD1 3.1Å | ||
| 381 | A | 84.3 | Confident | 85 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -26.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T383 C385 M400 L505 W507 | A381-T383 VanDerWaalsContact C-N 3.27Å; A381-T383 PolarHBondContact O-N 2.85Å; A381-C385 PolarHBondContact O-N 3.12Å; A381-M400 HydrophobicContact CB-CE 3.51Å; A381-M400 HydrophobicContact CB-SD 3.37Å; A381-M400 WeakPolarHBondContact CB-SD 3.18Å; A381-L505 HydrophobicContact CB-CD1 4.07Å; A381-W507 HydrophobicContact CB-CH2 4.21Å; A381-W507 HydrophobicContact CB-CZ2 3.92Å |
| 382 | N | 82.4 | Confident | 84.2 | Confident | 46 Ų | 46 | 54 Ų | 54 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -31.1 | 176.5 | -72.1 | -15.7 | 0 | 0 | 0 | 111.9 | N380 D392 | N380-N382 PolarHBondContact O-N 3.06Å; N380-N382 VanDerWaalsContact O-N 3.12Å; N380-N382 WeakPolarHBondContact OD1-CB 3.49Å; N380-N382 PolarHBondContact OD1-N 3.02Å; N382-D392 PolarHBondContact ND2-OD2 3.08Å |
| 383 | T | 86.2 | Confident | 82.6 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -93.8 | -37.7 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | N380 A381 | N380-T383 WeakPolarHBondContact CB-OG1 3.47Å; N380-T383 PolarHBondContact O-N 3.18Å; N380-T383 PolarHBondContact O-OG1 3.42Å; A381-T383 VanDerWaalsContact C-N 3.27Å; A381-T383 PolarHBondContact O-N 2.85Å |
| 384 | D | 86.3 | Confident | 80.7 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.9 | -28.7 | -171.8 | -54.4 | -9.8 | 0 | 0 | 0 | 112 | N380 W507 F523 | N380-D384 PolarHBondContact N-OD2 2.69Å; N380-D384 WeakPolarHBondContact O-CB 3.31Å; N380-D384 PolarHBondContact O-N 2.81Å; N380-D384 VanDerWaalsContact O-OD1 3.1Å; D384-W507 PolarHBondContact OD2-NE1 2.84Å; D384-F523 HydrophobicContact CB-CB 4.38Å |
| 385 | C | 83.1 | Confident | 78.6 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | trans | -133.1 | 87.7 | 179.9 | -163.9 | 0 | 0 | 0 | 0 | 111.7 | A381 L387 V388 F523 | A381-C385 PolarHBondContact O-N 3.12Å; C385-L387 PolarHBondContact O-N 3.25Å; C385-V388 HydrophobicContact CB-CG2 3.7Å; C385-V388 WeakPolarHBondContact O-CB 3.31Å; C385-V388 PolarHBondContact O-N 3.18Å; C385-F523 HydrophobicContact CB-CD2 4.16Å; C385-F523 HydrophobicContact CB-CE1 4.26Å; C385-F523 HydrophobicContact CB-CE2 3.83Å; C385-F523 HydrophobicContact CB-CZ 3.88Å; C385-F523 WeakPolarHBondContact SG-CZ 3.5Å | ||
| 386 | L | 78.2 | Confident | 76.6 | Confident | 157 Ų | 157 | 58.3 Ų | 58.3 | 82% | 0.822 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -6.8 | -178.7 | -58.6 | 178.3 | 0 | 0 | 0 | 115.9 | ||
| 387 | L | 80.7 | Confident | 74.9 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 73% | 0.728 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.5 | 177.4 | -61.5 | 174.8 | 0 | 0 | 0 | 113 | C385 R526 | C385-L387 PolarHBondContact O-N 3.25Å; L387-R526 VanDerWaalsContact CB-NH1 3.31Å; L387-R526 PolarHBondContact O-NH1 3.36Å |
| 388 | V | 77.2 | Confident | 73.7 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -83.9 | 136.4 | -175.7 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | C385 S390 H498 L505 | C385-V388 HydrophobicContact CB-CG2 3.7Å; C385-V388 WeakPolarHBondContact O-CB 3.31Å; C385-V388 PolarHBondContact O-N 3.18Å; V388-S390 PolarHBondContact O-N 3.1Å; V388-H498 VanDerWaalsContact CG1-CD2 3.43Å; V388-H498 WeakPolarHBondContact CG1-CD2 3.44Å; V388-H498 VanDerWaalsContact CG1-NE2 3.26Å; V388-H498 WeakPolarHBondContact CG1-NE2 3.36Å; V388-L505 HydrophobicContact CG1-CD1 4.46Å; V388-L505 HydrophobicContact CG2-CD1 4Å; V388-L505 HydrophobicContact CG2-CD2 3.75Å |
| 389 | P | 74.6 | Confident | 73.1 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 130.3 | 171.9 | -19 | 30.8 | 0 | 0 | 0 | 111.3 | V391 H498 | P389-V391 PolarHBondContact O-N 2.9Å; P389-H498 PolarHBondContact O-CE1 3.27Å; P389-H498 VanDerWaalsContact O-CE1 3.28Å; P389-H498 PolarHBondContact O-NE2 2.95Å |
| 390 | S | 73.3 | Confident | 72.6 | Confident | 49 Ų | 49 | 61 Ų | 61 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 127.3 | 177.9 | 156 | 0 | 0 | 0 | 0 | 111.8 | V388 D392 | V388-S390 PolarHBondContact O-N 3.1Å; S390-D392 VanDerWaalsContact C-N 3.32Å; S390-D392 PolarHBondContact OG-N 2.89Å; S390-D392 PolarHBondContact OG-OD2 3.47Å |
| 391 | V | 69.8 | Low | 72.6 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -70.7 | -28.4 | 178.9 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | H276 P389 R393 C394 H498 P499 | H276-V391 VanDerWaalsContact CE1-CG1 3.5Å; H276-V391 WeakPolarHBondContact CE1-CG1 3.35Å; P389-V391 PolarHBondContact O-N 2.9Å; V391-R393 PolarHBondContact O-N 3.13Å; V391-C394 WeakPolarHBondContact O-CB 3.47Å; V391-C394 PolarHBondContact O-N 2.94Å; V391-H498 WeakPolarHBondContact CG2-NE2 3.38Å; V391-P499 HydrophobicContact CG1-CG 4.32Å |
| 392 | D | 64.2 | Low | 73 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -60.7 | -14.4 | -175.7 | -44.8 | -85.1 | 0 | 0 | 0 | 114.2 | H276 N382 S390 | H276-D392 IonicContact CD2-OD1 2.78Å; N382-D392 PolarHBondContact ND2-OD2 3.08Å; S390-D392 VanDerWaalsContact C-N 3.32Å; S390-D392 PolarHBondContact OG-N 2.89Å; S390-D392 PolarHBondContact OG-OD2 3.47Å |
| 393 | R | 54.7 | Low | 73.6 | Confident | 183 Ų | 183 | 57.9 Ų | 57.9 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -94.2 | 2.6 | 177.4 | -62.3 | -175.7 | 177.2 | -170.4 | -2.8 | 113.7 | V391 | V391-R393 PolarHBondContact O-N 3.13Š|
| 394 | C | 52 | Low | 74 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | trans | -93.4 | 129.8 | -178.3 | -139 | 0 | 0 | 0 | 0 | 111.2 | V391 F396 V500 Q764 | V391-C394 WeakPolarHBondContact O-CB 3.47Å; V391-C394 PolarHBondContact O-N 2.94Å; C394-F396 PolarHBondContact O-N 3.29Å; C394-V500 HydrophobicContact CB-CG2 4.33Å; C394-Q764 PolarHBondContact SG-NE2 3.12Å | ||
| 395 | M | 46 | Very low | 74.4 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 42% | 0.424 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -79.2 | -1.6 | 177 | -70 | -140.9 | 142.1 | 0 | 0 | 114.6 | K763 L766 I768 | M395-K763 VanDerWaalsContact CG-O 3.28Å; M395-K763 WeakPolarHBondContact CG-O 3.32Å; M395-L766 WeakPolarHBondContact CE-O 3.12Å; M395-L766 VanDerWaalsContact SD-O 3.36Å; M395-I768 HydrophobicContact CE-CB 3.96Å; M395-I768 HydrophobicContact CE-CD1 3.78Å; M395-I768 HydrophobicContact CE-CG1 3.71Å; M395-I768 HydrophobicContact SD-CD1 3.51Å; M395-I768 VanDerWaalsContact SD-CD1 3.51Å; M395-I768 HydrophobicContact SD-CG1 3.88Å |
| 396 | F | 50.5 | Low | 74.8 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -88.1 | 138.6 | 171.9 | -57 | -73.5 | 0 | 0 | 0 | 108.4 | C394 T398 K763 | C394-F396 PolarHBondContact O-N 3.29Å; F396-T398 HydrophobicContact CB-CG2 4Å; F396-T398 PolarHBondContact O-N 3.1Å; F396-T398 PolarHBondContact O-OG1 3.45Å; F396-K763 HydrophobicContact CZ-CD 4.26Å |
| 397 | D | 57.8 | Low | 75.5 | Confident | 122 Ų | 122 | 44.2 Ų | 44.2 | 65% | 0.652 | 23% | 0.228 | S | C | * | . | trans | -74.6 | 42.1 | 178.5 | -144.3 | -5 | 0 | 0 | 0 | 111.1 | Q274 T399 | Q274-D397 PolarHBondContact NE2-OD1 3.11Å; D397-T399 PolarHBondContact O-N 2.77Å | ||
| 398 | T | 68.9 | Low | 76.1 | Confident | 24 Ų | 24 | 38 Ų | 38 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | trans | -94.7 | 86.8 | -173.9 | 46 | 0 | 0 | 0 | 0 | 109.7 | F396 | F396-T398 HydrophobicContact CB-CG2 4Å; F396-T398 PolarHBondContact O-N 3.1Å; F396-T398 PolarHBondContact O-OG1 3.45Å | ||
| 399 | T | 80.1 | Confident | 76.7 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -68.8 | 150.5 | 173.4 | 68.4 | 0 | 0 | 0 | 0 | 111.1 | I249 Q274 D397 A401 H541 | I249-T399 HydrophobicContact CD1-CG2 4.37Å; I249-T399 HydrophobicContact CG1-CG2 3.69Å; I249-T399 WeakPolarHBondContact CG1-OG1 3.16Å; Q274-T399 HydrophobicContact CB-CG2 4.13Å; Q274-T399 HydrophobicContact CG-CG2 3.77Å; D397-T399 PolarHBondContact O-N 2.77Å; T399-A401 PolarHBondContact O-N 2.93Å; T399-H541 PolarHBondContact N-NE2 3.21Å; T399-H541 PolarHBondContact O-CD2 3.4Å; T399-H541 VanDerWaalsContact O-CD2 3.28Å; T399-H541 PolarHBondContact O-NE2 3.17Å; T399-H541 VanDerWaalsContact O-NE2 3.17Å; T399-H541 PolarHBondContact OG1-CD2 3.29Å; T399-H541 PolarHBondContact OG1-NE2 2.94Å | ||
| 400 | M | 85 | Confident | 77.3 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | trans | -79.9 | 115.5 | 178 | -175 | 170.9 | -175 | 0 | 0 | 110.1 | A381 A496 L505 W507 | A381-M400 HydrophobicContact CB-CE 3.51Å; A381-M400 HydrophobicContact CB-SD 3.37Å; A381-M400 WeakPolarHBondContact CB-SD 3.18Å; M400-A496 HydrophobicContact CE-CB 3.31Å; M400-A496 HydrophobicContact CG-CB 4.5Å; M400-L505 HydrophobicContact CE-CD1 3.62Å; M400-W507 HydrophobicContact CE-CH2 3.6Å; M400-W507 HydrophobicContact CE-CZ2 4.44Å; M400-W507 HydrophobicContact CE-CZ3 4.41Å | ||
| 401 | A | 89.6 | Confident | 78.1 | Confident | 10.5 Ų | 10.5 | 36.6 Ų | 36.6 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | trans | -94.7 | 128.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | W272 T399 H403 A496 H541 | W272-A401 HydrophobicContact CD2-CB 4Å; W272-A401 HydrophobicContact CG-CB 4.04Å; T399-A401 PolarHBondContact O-N 2.93Å; A401-H403 WeakPolarHBondContact CB-NE2 3.27Å; A401-A496 VanDerWaalsContact O-CB 3.28Å; A401-A496 WeakPolarHBondContact O-CB 3.29Å; A401-H541 HydrophobicContact CB-CB 4.06Å | ||
| 402 | V | 93.2 | Very high | 79.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -100.7 | 140.2 | 171.7 | -177.7 | 0 | 0 | 0 | 0 | 108 | L270 S278 I379 L494 F495 A496 | L270-V402 HydrophobicContact CD2-CB 4.34Å; L270-V402 HydrophobicContact CD2-CG1 4.26Å; L270-V402 WeakPolarHBondContact CD2-O 3.38Å; S278-V402 VanDerWaalsContact OG-CG2 3.31Å; S278-V402 WeakPolarHBondContact OG-CG2 3.34Å; I379-V402 HydrophobicContact CD1-CG1 4.08Å; I379-V402 HydrophobicContact CG2-CG2 4.24Å; V402-L494 HydrophobicContact CG1-CB 3.88Å; V402-L494 HydrophobicContact CG1-CD1 4.33Å; V402-L494 HydrophobicContact CG1-CD2 3.84Å; V402-L494 HydrophobicContact CG1-CG 4.48Å; V402-F495 WeakPolarHBondContact CA-O 3.45Å; V402-A496 HydrophobicContact CG2-CB 4.14Å | ||
| 403 | H | 94.7 | Very high | 80.1 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.4 | -175 | -68.2 | -71.7 | 0 | 0 | 0 | 112 | E252 W272 A401 L494 F495 H541 L543 | E252-H403 IonicContact OE2-CE1 3.47Å; E252-H403 IonicContact OE2-CG 2.73Å; E252-H403 IonicContact OE2-ND1 2.65Å; E252-H403 PolarHBondContact OE2-ND1 3.29Å; W272-H403 AromaticContact CH2-CE1 3.74Å; A401-H403 WeakPolarHBondContact CB-NE2 3.27Å; H403-L494 CarbonylContact O-C 3.52Å; H403-L494 VanDerWaalsContact O-CA 3.23Å; H403-L494 WeakPolarHBondContact O-CA 3.34Å; H403-L494 WeakPolarHBondContact O-CB 3.47Å; H403-F495 HydrophobicContact CB-CD1 4.2Å; H403-F495 HydrophobicContact CB-CE1 3.63Å; H403-F495 HydrophobicContact CB-CE2 4.2Å; H403-F495 HydrophobicContact CB-CZ 3.63Å; H403-F495 PolarHBondContact N-O 3.32Å; H403-F495 PolarHBondContact O-N 2.84Å; H403-H541 PolarHBondContact CE1-O 2.75Å; H403-H541 PolarHBondContact NE2-O 2.92Å; H403-L543 VanDerWaalsContact CD2-CD1 3.47Å; H403-L543 WeakPolarHBondContact CD2-CD1 3.4Å |
| 404 | W | 95 | Very high | 81.5 | Confident | 1.5 Ų | 1.5 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.5 | 171.8 | -62.9 | 101.4 | 0 | 0 | 0 | 110.4 | E252 R254 I268 L270 I280 N406 D492 L494 L512 L545 | E252-W404 PolarHBondContact O-NE1 3.35Å; R254-W404 HydrophobicContact CB-CD2 4.02Å; R254-W404 HydrophobicContact CB-CE3 4.48Å; R254-W404 HydrophobicContact CB-CG 4.43Å; R254-W404 HydrophobicContact CB-CH2 4.48Å; R254-W404 HydrophobicContact CB-CZ2 4.01Å; R254-W404 HydrophobicContact CG-CD2 4.24Å; R254-W404 HydrophobicContact CG-CE3 4.25Å; R254-W404 HydrophobicContact CG-CZ3 4.44Å; I268-W404 HydrophobicContact CG2-CH2 3.97Å; I268-W404 HydrophobicContact CG2-CZ2 3.77Å; L270-W404 HydrophobicContact CB-CZ2 3.99Å; L270-W404 VanDerWaalsContact CB-NE1 3.32Å; I280-W404 HydrophobicContact CD1-CH2 4.21Å; I280-W404 HydrophobicContact CG1-CH2 4.49Å; I280-W404 HydrophobicContact CG2-CH2 4.18Å; I280-W404 HydrophobicContact CG2-CZ2 4.31Å; W404-N406 WeakPolarHBondContact CB-ND2 3.29Å; W404-N406 WeakPolarHBondContact CB-OD1 3.24Å; W404-N406 PolarHBondContact O-N 3.09Å; W404-N406 PolarHBondContact O-ND2 2.93Å; W404-D492 HydrophobicContact CE3-CB 4.3Å; W404-D492 HydrophobicContact CZ3-CB 3.8Å; W404-L494 HydrophobicContact CD2-CD2 3.78Å; W404-L494 HydrophobicContact CD2-CG 4.35Å; W404-L494 HydrophobicContact CE3-CD1 4.08Å; W404-L494 HydrophobicContact CE3-CD2 3.56Å; W404-L494 HydrophobicContact CE3-CG 4.04Å; W404-L494 HydrophobicContact CG-CD2 4.09Å; W404-L494 HydrophobicContact CH2-CD1 4.47Å; W404-L494 HydrophobicContact CH2-CD2 4.17Å; W404-L494 HydrophobicContact CZ2-CD2 4.38Å; W404-L494 HydrophobicContact CZ3-CD1 3.78Å; W404-L494 HydrophobicContact CZ3-CD2 3.78Å; W404-L494 HydrophobicContact CZ3-CG 4.12Å; W404-L512 HydrophobicContact CH2-CD1 3.91Å; W404-L512 HydrophobicContact CH2-CD2 3.74Å; W404-L512 HydrophobicContact CZ3-CD1 4.05Å; W404-L512 HydrophobicContact CZ3-CD2 4.09Å; W404-L545 VanDerWaalsContact O-CD1 3.24Å; W404-L545 WeakPolarHBondContact O-CD1 3.42Å |
| 405 | L | 93.4 | Very high | 83.1 | Confident | 2.5 Ų | 2.5 | 24.3 Ų | 24.3 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | trans | -70.9 | -20.6 | 164.8 | -169.7 | 61.7 | 0 | 0 | 0 | 111.2 | N407 V493 F495 L545 L594 Y602 I605 | L405-N407 PolarHBondContact O-N 3.03Å; L405-V493 HydrophobicContact CB-CB 4.01Å; L405-V493 HydrophobicContact CB-CG1 4.03Å; L405-V493 VanDerWaalsContact CB-O 3.31Å; L405-V493 WeakPolarHBondContact CB-O 3.22Å; L405-V493 HydrophobicContact CD2-CB 3.95Å; L405-V493 HydrophobicContact CD2-CG1 3.63Å; L405-V493 PolarHBondContact N-O 3.18Å; L405-F495 HydrophobicContact CB-CD1 4.24Å; L405-F495 HydrophobicContact CD1-CD1 4.36Å; L405-F495 HydrophobicContact CD1-CE1 4.31Å; L405-L545 HydrophobicContact CD1-CD1 4.12Å; L405-L545 HydrophobicContact CD1-CD2 4.14Å; L405-L545 WeakPolarHBondContact O-CD2 3.23Å; L405-L594 HydrophobicContact CD1-CD1 4.31Å; L405-Y602 VanDerWaalsContact CD2-O 3.24Å; L405-Y602 WeakPolarHBondContact CD2-O 3.27Å; L405-I605 HydrophobicContact CD1-CD1 4.23Å; L405-I605 HydrophobicContact CD2-CD1 4.15Å; L405-I605 HydrophobicContact CD2-CG1 4.35Å | ||
| 406 | N | 92.6 | Very high | 84.9 | Confident | 10.5 Ų | 10.5 | 20.3 Ų | 20.3 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | trans | 55.3 | 34.5 | -176.5 | -60 | -71.1 | 0 | 0 | 0 | 112.6 | K255 W404 K408 E409 L410 | K255-N406 HydrophobicContact CB-CB 4.4Å; K255-N406 WeakPolarHBondContact CB-OD1 3.33Å; K255-N406 PolarHBondContact N-OD1 3.44Å; W404-N406 WeakPolarHBondContact CB-ND2 3.29Å; W404-N406 WeakPolarHBondContact CB-OD1 3.24Å; W404-N406 PolarHBondContact O-N 3.09Å; W404-N406 PolarHBondContact O-ND2 2.93Å; N406-K408 VanDerWaalsContact C-N 3.3Å; N406-K408 PolarHBondContact O-N 3.14Å; N406-E409 HydrophobicContact CB-CB 4.19Å; N406-E409 WeakPolarHBondContact O-CB 3.34Å; N406-E409 PolarHBondContact O-N 2.84Å; N406-L410 WeakPolarHBondContact O-CG 3.31Å; N406-L410 PolarHBondContact O-N 3.15Å; N406-L410 VanDerWaalsContact O-N 3.13Å | ||
| 407 | N | 92.5 | Very high | 86.4 | Confident | 7 Ų | 7 | 17.7 Ų | 17.7 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -53.8 | -43 | -178.4 | 62.2 | -57.4 | 0 | 0 | 0 | 112.7 | L405 E409 L410 V411 Y491 V493 Y602 | L405-N407 PolarHBondContact O-N 3.03Å; N407-E409 VanDerWaalsContact C-N 3.32Å; N407-E409 PolarHBondContact O-N 2.97Å; N407-L410 PolarHBondContact O-N 2.95Å; N407-V411 VanDerWaalsContact O-CG2 3.32Å; N407-V411 WeakPolarHBondContact O-CG2 3.17Å; N407-V411 PolarHBondContact O-N 2.94Å; N407-Y491 PolarHBondContact ND2-O 3.4Å; N407-V493 PolarHBondContact OD1-N 3.16Å; N407-Y602 WeakPolarHBondContact CB-O 3.15Å |
| 408 | K | 91.9 | Very high | 87.6 | Confident | 7 Ų | 7 | 16.7 Ų | 16.7 | 3% | 0.03 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 177.1 | -62.9 | -169.9 | -177.9 | 174.4 | 0 | 113 | N406 V411 F412 W487 T490 Y491 D492 D513 | N406-K408 VanDerWaalsContact C-N 3.3Å; N406-K408 PolarHBondContact O-N 3.14Å; K408-V411 PolarHBondContact O-N 3.46Å; K408-F412 VanDerWaalsContact O-CB 3.23Å; K408-F412 WeakPolarHBondContact O-CB 3.24Å; K408-F412 PolarHBondContact O-N 3.17Å; K408-W487 VanDerWaalsContact C-CZ3 3.44Å; K408-W487 HydrophobicContact CB-CD2 3.98Å; K408-W487 HydrophobicContact CB-CE3 3.6Å; K408-W487 HydrophobicContact CB-CH2 3.86Å; K408-W487 HydrophobicContact CB-CZ2 4.23Å; K408-W487 HydrophobicContact CB-CZ3 3.56Å; K408-W487 HydrophobicContact CD-CD2 4.08Å; K408-W487 HydrophobicContact CD-CE3 4.5Å; K408-W487 HydrophobicContact CD-CG 4.28Å; K408-W487 HydrophobicContact CD-CZ2 4.45Å; K408-W487 WeakPolarHBondContact CD-O 3.25Å; K408-W487 WeakPolarHBondContact CE-O 3.48Å; K408-W487 PolarHBondContact NZ-O 3.23Å; K408-W487 WeakPolarHBondContact O-CZ3 3.18Å; K408-T490 VanDerWaalsContact CE-C 3.43Å; K408-T490 WeakPolarHBondContact CE-O 3.33Å; K408-T490 VanDerWaalsContact CE-OG1 3.31Å; K408-T490 WeakPolarHBondContact CE-OG1 3.17Å; K408-T490 PolarHBondContact NZ-O 3.13Å; K408-Y491 VanDerWaalsContact CE-C 3.41Å; K408-Y491 WeakPolarHBondContact CE-O 3.1Å; K408-D492 VanDerWaalsContact CE-CG 3.45Å; K408-D492 WeakPolarHBondContact CE-OD2 3.45Å; K408-D492 IonicContact NZ-OD2 3.19Å; K408-D492 PolarHBondContact NZ-OD2 2.77Å; K408-D513 IonicContact NZ-OD2 2.72Å; K408-D513 PolarHBondContact NZ-OD2 2.94Å |
| 409 | E | 90 | Very high | 88.3 | Confident | 38 Ų | 38 | 16.1 Ų | 16.1 | 18% | 0.178 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 176.1 | -169.8 | -80.6 | 142.7 | 0 | 0 | 111.4 | K255 G257 N406 N407 V411 F412 S413 W487 | K255-E409 HydrophobicContact CB-CB 4.4Å; K255-E409 HydrophobicContact CB-CG 4.1Å; G257-E409 VanDerWaalsContact CA-CG 3.47Å; G257-E409 WeakPolarHBondContact CA-OE1 3.4Å; N406-E409 HydrophobicContact CB-CB 4.19Å; N406-E409 WeakPolarHBondContact O-CB 3.34Å; N406-E409 PolarHBondContact O-N 2.84Å; N407-E409 VanDerWaalsContact C-N 3.32Å; N407-E409 PolarHBondContact O-N 2.97Å; E409-V411 PolarHBondContact O-N 3.14Å; E409-F412 PolarHBondContact O-N 3.2Å; E409-S413 WeakPolarHBondContact O-CB 3.38Å; E409-S413 PolarHBondContact O-N 3.13Å; E409-S413 PolarHBondContact O-OG 3.12Å; E409-S413 WeakPolarHBondContact OE1-CB 3.49Å; E409-S413 PolarHBondContact OE1-OG 3.24Å; E409-W487 HydrophobicContact CB-CH2 4.29Å; E409-W487 HydrophobicContact CB-CZ3 4.34Å |
| 410 | L | 88.6 | Confident | 88.1 | Confident | 15 Ų | 15 | 16.9 Ų | 16.9 | 8% | 0.079 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 177.7 | -61.3 | 174.1 | 0 | 0 | 0 | 111.4 | N406 N407 E414 N547 V578 Y602 | N406-L410 WeakPolarHBondContact O-CG 3.31Å; N406-L410 PolarHBondContact O-N 3.15Å; N406-L410 VanDerWaalsContact O-N 3.13Å; N407-L410 PolarHBondContact O-N 2.95Å; L410-E414 VanDerWaalsContact O-CB 3.31Å; L410-E414 WeakPolarHBondContact O-CB 3.35Å; L410-E414 PolarHBondContact O-N 3.07Å; L410-E414 VanDerWaalsContact O-N 3.07Å; L410-N547 HydrophobicContact CD2-CB 3.85Å; L410-V578 HydrophobicContact CD1-CG2 4.27Å; L410-Y602 HydrophobicContact CB-CD2 3.84Å; L410-Y602 HydrophobicContact CB-CE2 3.96Å; L410-Y602 HydrophobicContact CB-CG 4.19Å; L410-Y602 HydrophobicContact CD1-CD1 3.95Å; L410-Y602 HydrophobicContact CD1-CD2 4.39Å; L410-Y602 HydrophobicContact CD1-CE1 4.25Å; L410-Y602 HydrophobicContact CD1-CG 3.96Å |
| 411 | V | 89.6 | Confident | 87.6 | Confident | 39 Ų | 39 | 19.2 Ų | 19.2 | 24% | 0.236 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | N407 K408 E409 E414 G415 N601 Y602 | N407-V411 VanDerWaalsContact O-CG2 3.32Å; N407-V411 WeakPolarHBondContact O-CG2 3.17Å; N407-V411 PolarHBondContact O-N 2.94Å; K408-V411 PolarHBondContact O-N 3.46Å; E409-V411 PolarHBondContact O-N 3.14Å; V411-E414 PolarHBondContact O-N 3.06Å; V411-G415 PolarHBondContact O-N 3.17Å; V411-N601 HydrophobicContact CG2-CB 3.78Å; V411-N601 WeakPolarHBondContact CG2-O 3.25Å; V411-Y602 HydrophobicContact CG2-CD2 3.82Å; V411-Y602 HydrophobicContact CG2-CE2 4.35Å |
| 412 | F | 89.8 | Confident | 87 | Confident | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -45.3 | -177.8 | -170.4 | -81.3 | 0 | 0 | 0 | 111.6 | I260 K408 E409 E414 G415 A416 F480 L483 W487 | I260-F412 HydrophobicContact CD1-CD1 3.97Å; I260-F412 HydrophobicContact CD1-CD2 4.11Å; I260-F412 HydrophobicContact CD1-CE1 4.11Å; I260-F412 HydrophobicContact CD1-CE2 4.22Å; I260-F412 HydrophobicContact CD1-CG 3.99Å; I260-F412 HydrophobicContact CD1-CZ 4.23Å; I260-F412 HydrophobicContact CG1-CD1 3.6Å; I260-F412 HydrophobicContact CG1-CD2 4.39Å; I260-F412 HydrophobicContact CG1-CE1 3.36Å; I260-F412 HydrophobicContact CG1-CE2 4.19Å; I260-F412 HydrophobicContact CG1-CG 4.13Å; I260-F412 HydrophobicContact CG1-CZ 3.68Å; K408-F412 VanDerWaalsContact O-CB 3.23Å; K408-F412 WeakPolarHBondContact O-CB 3.24Å; K408-F412 PolarHBondContact O-N 3.17Å; E409-F412 PolarHBondContact O-N 3.2Å; F412-E414 VanDerWaalsContact C-N 3.34Å; F412-E414 PolarHBondContact O-N 3.44Å; F412-G415 PolarHBondContact O-N 3.09Å; F412-A416 HydrophobicContact CD1-CB 4.5Å; F412-A416 HydrophobicContact CE1-CB 4.37Å; F412-A416 WeakPolarHBondContact O-CB 3.2Å; F412-A416 PolarHBondContact O-N 3.04Å; F412-F480 HydrophobicContact CE1-CE2 4.18Å; F412-F480 HydrophobicContact CE1-CZ 4.45Å; F412-F480 HydrophobicContact CZ-CD2 4.36Å; F412-F480 AromaticContact CZ-CE2 3.63Å; F412-F480 HydrophobicContact CZ-CE2 3.63Å; F412-F480 AromaticContact CZ-CZ 3.78Å; F412-F480 HydrophobicContact CZ-CZ 3.78Å; F412-L483 HydrophobicContact CD2-CB 3.84Å; F412-L483 HydrophobicContact CE2-CB 3.66Å; F412-L483 HydrophobicContact CZ-CB 4.44Å; F412-W487 HydrophobicContact CB-CE3 4Å; F412-W487 HydrophobicContact CB-CZ3 4.24Å; F412-W487 HydrophobicContact CD2-CE3 4.33Å; F412-W487 HydrophobicContact CG-CE3 4.32Å |
| 413 | S | 85.7 | Confident | 86 | Confident | 9 Ų | 9 | 23.6 Ų | 23.6 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 178 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | E409 A416 E417 | E409-S413 WeakPolarHBondContact O-CB 3.38Å; E409-S413 PolarHBondContact O-N 3.13Å; E409-S413 PolarHBondContact O-OG 3.12Å; E409-S413 WeakPolarHBondContact OE1-CB 3.49Å; E409-S413 PolarHBondContact OE1-OG 3.24Å; S413-A416 PolarHBondContact O-N 2.93Å; S413-E417 WeakPolarHBondContact O-CB 3.39Å; S413-E417 VanDerWaalsContact O-CG 3.32Å; S413-E417 WeakPolarHBondContact O-CG 3.49Å; S413-E417 PolarHBondContact O-N 2.87Å |
| 414 | E | 83.8 | Confident | 84.7 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 173.4 | -173.6 | -177.9 | 152.1 | 0 | 0 | 112 | L410 V411 F412 E417 K418 K549 N576 Y602 | L410-E414 VanDerWaalsContact O-CB 3.31Å; L410-E414 WeakPolarHBondContact O-CB 3.35Å; L410-E414 PolarHBondContact O-N 3.07Å; L410-E414 VanDerWaalsContact O-N 3.07Å; V411-E414 PolarHBondContact O-N 3.06Å; F412-E414 VanDerWaalsContact C-N 3.34Å; F412-E414 PolarHBondContact O-N 3.44Å; E414-E417 PolarHBondContact O-N 3.36Å; E414-K418 HydrophobicContact CG-CD 4.41Å; E414-K418 WeakPolarHBondContact O-CG 3.44Å; E414-K418 PolarHBondContact O-N 3.01Å; E414-K418 VanDerWaalsContact O-N 3.13Å; E414-K418 VanDerWaalsContact OE1-CE 3.31Å; E414-K418 WeakPolarHBondContact OE1-CE 3.45Å; E414-K418 IonicContact OE1-NZ 3.08Å; E414-K418 PolarHBondContact OE1-NZ 3Å; E414-K549 IonicContact OE1-NZ 3.92Å; E414-K549 PolarHBondContact OE1-NZ 2.89Å; E414-K549 IonicContact OE2-NZ 3.32Å; E414-K549 PolarHBondContact OE2-NZ 2.86Å; E414-N576 PolarHBondContact OE2-ND2 3.23Å; E414-Y602 PolarHBondContact OE2-OH 3.22Å |
| 415 | G | 86.8 | Confident | 83.2 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V411 F412 E417 K418 L419 | V411-G415 PolarHBondContact O-N 3.17Å; F412-G415 PolarHBondContact O-N 3.09Å; G415-E417 VanDerWaalsContact C-N 3.34Å; G415-E417 PolarHBondContact O-N 3.2Å; G415-K418 WeakPolarHBondContact O-CB 3.48Å; G415-K418 PolarHBondContact O-N 2.99Å; G415-L419 WeakPolarHBondContact O-CG 3.47Å; G415-L419 PolarHBondContact O-N 3.14Å |
| 416 | A | 84.1 | Confident | 81.6 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y259 F412 S413 L419 I420 | Y259-A416 HydrophobicContact CD1-CB 4.17Å; Y259-A416 HydrophobicContact CD2-CB 3.76Å; Y259-A416 HydrophobicContact CE2-CB 4.36Å; Y259-A416 HydrophobicContact CG-CB 3.62Å; F412-A416 HydrophobicContact CD1-CB 4.5Å; F412-A416 HydrophobicContact CE1-CB 4.37Å; F412-A416 WeakPolarHBondContact O-CB 3.2Å; F412-A416 PolarHBondContact O-N 3.04Å; S413-A416 PolarHBondContact O-N 2.93Å; A416-L419 PolarHBondContact O-N 3.1Å; A416-I420 WeakPolarHBondContact O-CG1 3.31Å; A416-I420 PolarHBondContact O-N 3.21Å |
| 417 | E | 81 | Confident | 79.8 | Confident | 19.5 Ų | 19.5 | 31.4 Ų | 31.4 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 174.9 | -77.5 | 171.1 | -174.8 | 0 | 0 | 112.3 | R258 Y259 S413 E414 G415 L419 I420 V421 K549 Y553 | R258-E417 IonicContact CZ-OE1 3.55Å; R258-E417 IonicContact NE-OE1 3.21Å; R258-E417 IonicContact NH2-OE1 3.2Å; R258-E417 PolarHBondContact NH2-OE1 3.16Å; Y259-E417 HydrophobicContact CE2-CG 3.76Å; Y259-E417 WeakPolarHBondContact CE2-OE1 3.49Å; Y259-E417 WeakPolarHBondContact OH-CG 3.44Å; Y259-E417 PolarHBondContact OH-OE1 2.91Å; S413-E417 WeakPolarHBondContact O-CB 3.39Å; S413-E417 VanDerWaalsContact O-CG 3.32Å; S413-E417 WeakPolarHBondContact O-CG 3.49Å; S413-E417 PolarHBondContact O-N 2.87Å; E414-E417 PolarHBondContact O-N 3.36Å; G415-E417 VanDerWaalsContact C-N 3.34Å; G415-E417 PolarHBondContact O-N 3.2Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.16Å; E417-I420 WeakPolarHBondContact O-CB 3.47Å; E417-I420 PolarHBondContact O-N 2.9Å; E417-V421 WeakPolarHBondContact O-CG2 3.33Å; E417-V421 PolarHBondContact O-N 3.13Å; E417-K549 IonicContact OE1-NZ 3.61Å; E417-K549 PolarHBondContact OE1-NZ 3.16Å; E417-K549 IonicContact OE2-NZ 3.48Å; E417-K549 PolarHBondContact OE2-NZ 2.7Å; E417-Y553 HydrophobicContact CB-CD2 3.91Å; E417-Y553 HydrophobicContact CB-CE2 3.98Å; E417-Y553 HydrophobicContact CB-CG 4.29Å; E417-Y553 HydrophobicContact CG-CD2 4.36Å; E417-Y553 WeakPolarHBondContact OE2-CD2 3.46Å; E417-Y553 WeakPolarHBondContact OE2-CE2 3.37Å |
| 418 | K | 83.1 | Confident | 77.8 | Confident | 100.5 Ų | 100.5 | 33.3 Ų | 33.3 | 44% | 0.437 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 172.2 | -72.8 | 168.7 | 179 | 169.9 | 0 | 111.5 | E414 G415 I420 V421 E422 | E414-K418 HydrophobicContact CG-CD 4.41Å; E414-K418 WeakPolarHBondContact O-CG 3.44Å; E414-K418 PolarHBondContact O-N 3.01Å; E414-K418 VanDerWaalsContact O-N 3.13Å; E414-K418 VanDerWaalsContact OE1-CE 3.31Å; E414-K418 WeakPolarHBondContact OE1-CE 3.45Å; E414-K418 IonicContact OE1-NZ 3.08Å; E414-K418 PolarHBondContact OE1-NZ 3Å; G415-K418 WeakPolarHBondContact O-CB 3.48Å; G415-K418 PolarHBondContact O-N 2.99Å; K418-I420 VanDerWaalsContact C-N 3.34Å; K418-I420 PolarHBondContact O-N 2.88Å; K418-V421 PolarHBondContact O-N 2.86Å; K418-E422 WeakPolarHBondContact O-CB 3.25Å; K418-E422 WeakPolarHBondContact O-CG 3.43Å; K418-E422 PolarHBondContact O-N 3.06Å |
| 419 | L | 83.3 | Confident | 75.7 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 176 | -64.4 | 179.4 | 0 | 0 | 0 | 113 | G415 A416 E417 E422 A423 K479 F480 L483 | G415-L419 WeakPolarHBondContact O-CG 3.47Å; G415-L419 PolarHBondContact O-N 3.14Å; A416-L419 PolarHBondContact O-N 3.1Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.16Å; L419-E422 PolarHBondContact O-N 3.1Å; L419-A423 VanDerWaalsContact O-CB 3.31Å; L419-A423 WeakPolarHBondContact O-CB 3.38Å; L419-A423 PolarHBondContact O-N 2.89Å; L419-K479 HydrophobicContact CD1-CB 4.09Å; L419-K479 HydrophobicContact CD2-CB 3.58Å; L419-K479 HydrophobicContact CD2-CD 3.41Å; L419-K479 VanDerWaalsContact CD2-CD 3.47Å; L419-K479 HydrophobicContact CD2-CG 4.13Å; L419-K479 HydrophobicContact CG-CB 4.5Å; L419-F480 HydrophobicContact CD1-CB 4.43Å; L419-L483 HydrophobicContact CD1-CD1 3.65Å; L419-L483 HydrophobicContact CG-CD1 4.45Å |
| 420 | I | 76.3 | Confident | 73.6 | Confident | 22.5 Ų | 22.5 | 38.7 Ų | 38.7 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 174.9 | -72.8 | 165.4 | 0 | 0 | 0 | 110.5 | Y259 F325 A416 E417 K418 A423 L424 | Y259-I420 HydrophobicContact CD1-CD1 4.12Å; Y259-I420 HydrophobicContact CE1-CD1 3.49Å; Y259-I420 VanDerWaalsContact CE1-CD1 3.49Å; F325-I420 HydrophobicContact CD1-CD1 4.28Å; F325-I420 HydrophobicContact CD1-CG1 3.96Å; F325-I420 HydrophobicContact CD2-CG1 4.22Å; F325-I420 HydrophobicContact CE1-CD1 4.24Å; F325-I420 HydrophobicContact CE1-CG1 3.7Å; F325-I420 HydrophobicContact CE2-CG1 3.99Å; F325-I420 HydrophobicContact CG-CG1 4.21Å; F325-I420 HydrophobicContact CZ-CG1 3.71Å; A416-I420 WeakPolarHBondContact O-CG1 3.31Å; A416-I420 PolarHBondContact O-N 3.21Å; E417-I420 WeakPolarHBondContact O-CB 3.47Å; E417-I420 PolarHBondContact O-N 2.9Å; K418-I420 VanDerWaalsContact C-N 3.34Å; K418-I420 PolarHBondContact O-N 2.88Å; I420-A423 PolarHBondContact O-N 3.36Å; I420-L424 HydrophobicContact CG2-CD1 4.02Å; I420-L424 HydrophobicContact CG2-CG 4.49Å; I420-L424 VanDerWaalsContact O-CG 3.3Å; I420-L424 WeakPolarHBondContact O-CG 3.39Å; I420-L424 PolarHBondContact O-N 3.1Å |
| 421 | V | 74.3 | Confident | 71.4 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 178.7 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | E417 K418 A423 L424 G425 Y553 | E417-V421 WeakPolarHBondContact O-CG2 3.33Å; E417-V421 PolarHBondContact O-N 3.13Å; K418-V421 PolarHBondContact O-N 2.86Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.64Å; V421-L424 PolarHBondContact O-N 2.78Å; V421-G425 PolarHBondContact O-N 2.79Å; V421-Y553 HydrophobicContact CG2-CD1 4.04Å; V421-Y553 HydrophobicContact CG2-CE1 4.17Å |
| 422 | E | 76.9 | Confident | 69.2 | Low | 90 Ų | 90 | 51.6 Ų | 51.6 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.2 | -123.3 | -178.9 | 168.7 | 0 | 0 | 111.8 | K418 L419 L424 G425 A426 K479 | K418-E422 WeakPolarHBondContact O-CB 3.25Å; K418-E422 WeakPolarHBondContact O-CG 3.43Å; K418-E422 PolarHBondContact O-N 3.06Å; L419-E422 PolarHBondContact O-N 3.1Å; E422-L424 VanDerWaalsContact C-N 3.32Å; E422-L424 PolarHBondContact O-N 2.87Å; E422-G425 PolarHBondContact O-N 2.95Å; E422-A426 WeakPolarHBondContact O-CB 3.36Å; E422-A426 PolarHBondContact O-N 3.13Å; E422-K479 IonicContact OE1-NZ 3.28Å; E422-K479 PolarHBondContact OE1-NZ 3.04Å; E422-K479 IonicContact OE2-NZ 3.44Å; E422-K479 PolarHBondContact OE2-NZ 3.14Å |
| 423 | A | 72 | Confident | 67 | Low | 14.5 Ų | 14.5 | 55.7 Ų | 55.7 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F325 L419 I420 V421 E427 I476 | F325-A423 HydrophobicContact CE2-CB 4.23Å; L419-A423 VanDerWaalsContact O-CB 3.31Å; L419-A423 WeakPolarHBondContact O-CB 3.38Å; L419-A423 PolarHBondContact O-N 2.89Å; I420-A423 PolarHBondContact O-N 3.36Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.64Å; A423-E427 PolarHBondContact O-N 2.86Å; A423-E427 VanDerWaalsContact O-N 3.16Å; A423-I476 HydrophobicContact CB-CD1 3.9Å |
| 424 | L | 66.8 | Low | 64.7 | Low | 39.5 Ų | 39.5 | 58.9 Ų | 58.9 | 21% | 0.207 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 175.9 | -72 | 169.7 | 0 | 0 | 0 | 112.2 | L321 I420 V421 E422 A426 E427 S428 T557 | L321-L424 HydrophobicContact CD1-CD1 4.49Å; L321-L424 HydrophobicContact CD1-CD2 3.91Å; L321-L424 HydrophobicContact CD2-CD2 4.08Å; I420-L424 HydrophobicContact CG2-CD1 4.02Å; I420-L424 HydrophobicContact CG2-CG 4.49Å; I420-L424 VanDerWaalsContact O-CG 3.3Å; I420-L424 WeakPolarHBondContact O-CG 3.39Å; I420-L424 PolarHBondContact O-N 3.1Å; V421-L424 PolarHBondContact O-N 2.78Å; E422-L424 VanDerWaalsContact C-N 3.32Å; E422-L424 PolarHBondContact O-N 2.87Å; L424-A426 VanDerWaalsContact C-N 3.3Å; L424-A426 PolarHBondContact O-N 2.9Å; L424-E427 PolarHBondContact O-N 3.14Å; L424-E427 VanDerWaalsContact O-N 3.11Å; L424-S428 PolarHBondContact O-N 2.89Å; L424-S428 PolarHBondContact O-OG 3.35Å; L424-T557 HydrophobicContact CD1-CG2 4.49Å |
| 425 | G | 65.6 | Low | 62.3 | Low | 41 Ų | 41 | 61.4 Ų | 61.4 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V421 E422 S428 C429 | V421-G425 PolarHBondContact O-N 2.79Å; E422-G425 PolarHBondContact O-N 2.95Å; G425-S428 PolarHBondContact O-N 2.92Å; G425-C429 PolarHBondContact O-N 3.16Å; G425-C429 VanDerWaalsContact O-N 3.12Å |
| 426 | A | 59.3 | Low | 60 | Low | 38 Ų | 38 | 66.4 Ų | 66.4 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E422 L424 S428 C429 S430 M472 | E422-A426 WeakPolarHBondContact O-CB 3.36Å; E422-A426 PolarHBondContact O-N 3.13Å; L424-A426 VanDerWaalsContact C-N 3.3Å; L424-A426 PolarHBondContact O-N 2.9Å; A426-S428 VanDerWaalsContact C-N 3.3Å; A426-S428 PolarHBondContact O-N 2.92Å; A426-C429 PolarHBondContact O-N 2.89Å; A426-S430 PolarHBondContact O-N 2.88Å; A426-M472 HydrophobicContact CB-CE 3.38Å; A426-M472 HydrophobicContact CB-SD 4.04Å |
| 427 | E | 54.3 | Low | 57.6 | Low | 65 Ų | 65 | 74.5 Ų | 74.5 | 30% | 0.304 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 172 | -81.5 | -164.7 | 177.7 | 0 | 0 | 112 | R328 A423 L424 S430 R431 | R328-E427 IonicContact CZ-OE1 3.66Å; R328-E427 IonicContact NH1-OE1 2.86Å; R328-E427 PolarHBondContact NH1-OE1 2.79Å; R328-E427 IonicContact NH2-OE1 3.66Å; R328-E427 PolarHBondContact NH2-OE1 3.42Å; A423-E427 PolarHBondContact O-N 2.86Å; A423-E427 VanDerWaalsContact O-N 3.16Å; L424-E427 PolarHBondContact O-N 3.14Å; L424-E427 VanDerWaalsContact O-N 3.11Å; E427-S430 WeakPolarHBondContact O-CB 3.47Å; E427-S430 PolarHBondContact O-N 2.93Å; E427-S430 PolarHBondContact O-OG 3.36Å; E427-R431 PolarHBondContact O-N 3.19Å |
| 428 | S | 51.1 | Low | 55.3 | Low | 46.5 Ų | 46.5 | 77.2 Ų | 77.2 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.2 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | L424 G425 A426 S430 R431 L432 | L424-S428 PolarHBondContact O-N 2.89Å; L424-S428 PolarHBondContact O-OG 3.35Å; G425-S428 PolarHBondContact O-N 2.92Å; A426-S428 VanDerWaalsContact C-N 3.3Å; A426-S428 PolarHBondContact O-N 2.92Å; S428-S430 VanDerWaalsContact C-N 3.29Å; S428-S430 PolarHBondContact O-N 3.34Å; S428-R431 PolarHBondContact O-N 3.03Å; S428-R431 VanDerWaalsContact O-N 3.13Å; S428-L432 PolarHBondContact O-N 3.45Å |
| 429 | C | 46.4 | Very low | 52.8 | Low | 89.5 Ų | 89.5 | 83.8 Ų | 83.8 | 61% | 0.605 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 173 | -85.6 | 0 | 0 | 0 | 0 | 112.9 | G425 A426 R431 L432 A433 | G425-C429 PolarHBondContact O-N 3.16Å; G425-C429 VanDerWaalsContact O-N 3.12Å; A426-C429 PolarHBondContact O-N 2.89Å; C429-R431 VanDerWaalsContact C-N 3.28Å; C429-R431 PolarHBondContact O-N 3.4Å; C429-L432 PolarHBondContact O-N 3.29Å; C429-A433 PolarHBondContact O-N 2.82Å |
| 430 | S | 47.2 | Very low | 50.4 | Low | 70 Ų | 70 | 91.3 Ų | 91.3 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -25.8 | 178.4 | 129.1 | 0 | 0 | 0 | 0 | 113.6 | A426 E427 S428 | A426-S430 PolarHBondContact O-N 2.88Å; E427-S430 WeakPolarHBondContact O-CB 3.47Å; E427-S430 PolarHBondContact O-N 2.93Å; E427-S430 PolarHBondContact O-OG 3.36Å; S428-S430 VanDerWaalsContact C-N 3.29Å; S428-S430 PolarHBondContact O-N 3.34Å |
| 431 | R | 42.8 | Very low | 48.2 | Very low | 175.5 Ų | 175.5 | 94.5 Ų | 94.5 | 66% | 0.662 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -80 | -34.2 | 177.6 | -67.8 | -174.1 | -165.5 | -177.4 | 8.1 | 113 | E427 S428 C429 A433 A434 | E427-R431 PolarHBondContact O-N 3.19Å; S428-R431 PolarHBondContact O-N 3.03Å; S428-R431 VanDerWaalsContact O-N 3.13Å; C429-R431 VanDerWaalsContact C-N 3.28Å; C429-R431 PolarHBondContact O-N 3.4Å; R431-A433 VanDerWaalsContact C-N 3.32Å; R431-A433 PolarHBondContact O-N 2.69Å; R431-A434 PolarHBondContact O-N 3.08Å; R431-A434 VanDerWaalsContact O-N 3.15Å |
| 432 | L | 43.4 | Very low | 46.1 | Very low | 149 Ų | 149 | 96.7 Ų | 96.7 | 78% | 0.78 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.1 | -28.3 | 176.6 | -69.6 | 172.1 | 0 | 0 | 0 | 112.3 | S428 C429 A434 | S428-L432 PolarHBondContact O-N 3.45Å; C429-L432 PolarHBondContact O-N 3.29Å; L432-A434 VanDerWaalsContact C-N 3.29Å; L432-A434 PolarHBondContact O-N 3.39Å |
| 433 | A | 42.1 | Very low | 43.9 | Very low | 89 Ų | 89 | 98.5 Ų | 98.5 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -5.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C429 R431 | C429-A433 PolarHBondContact O-N 2.82Å; R431-A433 VanDerWaalsContact C-N 3.32Å; R431-A433 PolarHBondContact O-N 2.69Å |
| 434 | A | 38 | Very low | 42.1 | Very low | 77.5 Ų | 77.5 | 103.9 Ų | 103.9 | 64% | 0.64 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 16.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R431 L432 P436 | R431-A434 PolarHBondContact O-N 3.08Å; R431-A434 VanDerWaalsContact O-N 3.15Å; L432-A434 VanDerWaalsContact C-N 3.29Å; L432-A434 PolarHBondContact O-N 3.39Å; A434-P436 WeakPolarHBondContact O-CD 3.07Å |
| 435 | A | 34.4 | Very low | 40.3 | Very low | 82 Ų | 82 | 108.5 Ų | 108.5 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 120.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 436 | P | 38.1 | Very low | 38.9 | Very low | 117.5 Ų | 117.5 | 114.8 Ų | 114.8 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 147.5 | 178.3 | 32.6 | -32.6 | 0 | 0 | 0 | 111.8 | A434 | A434-P436 WeakPolarHBondContact O-CD 3.07Š|
| 437 | D | 33.2 | Very low | 37.4 | Very low | 172 Ų | 172 | 121.4 Ų | 121.4 | 92% | 0.92 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | 10.9 | 120.3 | 175.8 | -72.4 | -39.5 | 0 | 0 | 0 | 117.6 | ||
| 438 | G | 33.3 | Very low | 36.3 | Very low | 76.5 Ų | 76.5 | 126.7 Ų | 126.7 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | trans | -155.7 | 68.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | L440 | G438-L440 PolarHBondContact O-N 3.16Š| ||
| 439 | R | 30.9 | Very low | 35.4 | Very low | 239 Ų | 239 | 131.2 Ų | 131.2 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | 5.9 | 121.4 | 165.6 | -69.1 | 177.6 | 172.2 | -175.8 | -2.6 | 116.6 | ||||
| 440 | L | 31 | Very low | 34.5 | Very low | 168.5 Ų | 168.5 | 134.2 Ų | 134.2 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | 144 | 127.1 | 136.1 | -100.1 | 144.2 | 0 | 0 | 0 | 117.1 | G438 | G438-L440 PolarHBondContact O-N 3.16Š| ||
| 441 | A | 30.7 | Very low | 33.8 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -8.1 | 145.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 442 | S | 30.7 | Very low | 33.3 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | 178.2 | 133.2 | 63.2 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 443 | T | 30.1 | Very low | 32.6 | Very low | 127.5 Ų | 127.5 | 140.4 Ų | 140.4 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | 59.5 | 122.8 | 121 | 66.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 444 | T | 34.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | -159.3 | 124.2 | 67.1 | 30.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 445 | D | 28.8 | Very low | 32.1 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 42.7 | 108.1 | 110.9 | -99.1 | -14.8 | 0 | 0 | 0 | 118.2 | |||||
| 446 | L | 35.9 | Very low | 32.1 | Very low | 174.5 Ų | 174.5 | 145.7 Ų | 145.7 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -151.2 | 137 | 130.1 | -90.9 | 175 | 0 | 0 | 0 | 112.2 | ||||
| 447 | K | 28 | Very low | 31.9 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -86.5 | 151 | -173.8 | -59.3 | 165.5 | 177.4 | 173.2 | 0 | 112.4 | ||||
| 448 | K | 32.2 | Very low | 31.8 | Very low | 177.5 Ų | 177.5 | 144.5 Ų | 144.5 | 77% | 0.772 | 79% | 0.786 | S | S | * | * | 167.8 | 125.4 | 121.1 | -92.2 | 175.2 | 177.4 | -174.3 | 0 | 112.4 | |||||
| 449 | Q | 31.1 | Very low | 31.8 | Very low | 140.5 Ų | 140.5 | 146.3 Ų | 146.3 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | 65.3 | 140.3 | 113.3 | -67.6 | -176.5 | -66.4 | 0 | 0 | 116.2 | |||||
| 450 | E | 29.2 | Very low | 31.9 | Very low | 152.5 Ų | 152.5 | 141.7 Ų | 141.7 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | cis | -170.3 | 155.4 | -8 | -120.4 | 161.8 | 178.5 | 0 | 0 | 107.9 | ||||
| 451 | S | 30.8 | Very low | 31.9 | Very low | 102.5 Ų | 102.5 | 142 Ų | 142 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | 51.2 | 131.6 | 151.1 | -74.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 452 | E | 32.3 | Very low | 31.9 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 158.3 | 129.8 | 81.1 | -69.6 | -180 | 177 | 0 | 0 | 119.4 | |||||
| 453 | R | 29.9 | Very low | 31.9 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | 149.9 | 147 | 147.9 | -132.2 | -178.8 | -160.7 | -166.5 | 5.3 | 112.8 | ||||
| 454 | P | 35.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | -116.3 | 178.5 | 122.7 | 34.9 | -18.8 | 0 | 0 | 0 | 112 | |||||
| 455 | T | 33.8 | Very low | 32.2 | Very low | 131.5 Ų | 131.5 | 142.8 Ų | 142.8 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | -142.7 | 144.6 | 78 | 18 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 456 | P | 34.3 | Very low | 32.5 | Very low | 116.5 Ų | 116.5 | 145.2 Ų | 145.2 | 76% | 0.756 | 80% | 0.796 | S | S | * | * | trans | -111.4 | 148.6 | -165.3 | 39.5 | -31 | 0 | 0 | 0 | 114.1 | ||||
| 457 | V | 34.4 | Very low | 32.5 | Very low | 137.5 Ų | 137.5 | 140.9 Ų | 140.9 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | trans | -147.8 | 116.3 | 152.1 | -130.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 458 | T | 31.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 69.3 | 129.6 | 147.1 | -35.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 459 | P | 33.7 | Very low | 33.5 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -94.8 | 148.6 | -162.8 | 34.9 | -27 | 0 | 0 | 0 | 113.3 | L461 | P459-L461 PolarHBondContact O-N 3.48Š| ||
| 460 | T | 31.6 | Very low | 34.2 | Very low | 143.5 Ų | 143.5 | 133.4 Ų | 133.4 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -104.9 | 127.7 | 164.5 | -1.7 | 0 | 0 | 0 | 0 | 110 | G462 | T460-G462 PolarHBondContact O-N 3.46Š| ||
| 461 | L | 32 | Very low | 35.3 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | -60.4 | 138.7 | 174.3 | -109.2 | 73.8 | 0 | 0 | 0 | 110.8 | P459 | P459-L461 PolarHBondContact O-N 3.48Š| ||
| 462 | G | 30.1 | Very low | 36.4 | Very low | 69.5 Ų | 69.5 | 132.8 Ų | 132.8 | 72% | 0.716 | 75% | 0.753 | S | S | * | * | trans | -116.8 | 114.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | T460 | T460-G462 PolarHBondContact O-N 3.46Š| ||
| 463 | S | 31.5 | Very low | 37.5 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | 33.9 | 136.8 | 159 | 139.2 | 0 | 0 | 0 | 0 | 117.9 | L465 | S463-L465 PolarHBondContact O-N 3.35Å; S463-L465 VanDerWaalsContact O-N 3.12Å | ||
| 464 | P | 36.3 | Very low | 39 | Very low | 112.5 Ų | 112.5 | 120.8 Ų | 120.8 | 73% | 0.731 | 71% | 0.709 | S | S | * | * | trans | -92.1 | 137.5 | -173.5 | 35 | -31.2 | 0 | 0 | 0 | 112.6 | ||||
| 465 | L | 33.7 | Very low | 41 | Very low | 167.5 Ų | 167.5 | 119 Ų | 119 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -18.9 | 116.1 | 157.6 | -74.9 | 146.2 | 0 | 0 | 0 | 113.5 | S463 P467 | S463-L465 PolarHBondContact O-N 3.35Å; S463-L465 VanDerWaalsContact O-N 3.12Å; L465-P467 WeakPolarHBondContact O-CD 3.31Å | ||
| 466 | Q | 34.7 | Very low | 42.9 | Very low | 186.5 Ų | 186.5 | 113.8 Ų | 113.8 | 87% | 0.871 | 66% | 0.66 | S | S | * | * | trans | -86.3 | 134.2 | 170.1 | -75 | -179.1 | -16.9 | 0 | 0 | 113.2 | ||||
| 467 | P | 35.1 | Very low | 44.9 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | trans | -99.9 | 107.4 | 173.9 | 30.1 | -22.5 | 0 | 0 | 0 | 111 | L465 Q469 P470 | L465-P467 WeakPolarHBondContact O-CD 3.31Å; P467-Q469 PolarHBondContact O-N 3.45Å; P467-P470 HydrophobicContact CB-CG 4.4Å; P467-P470 WeakPolarHBondContact O-CD 3.09Å | ||
| 468 | S | 38.2 | Very low | 47.1 | Very low | 102.5 Ų | 102.5 | 108.8 Ų | 108.8 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 9.1 | -173.4 | 51.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 469 | Q | 43.8 | Very low | 49.7 | Very low | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -89.2 | -36.2 | 176.3 | -79.1 | -168.5 | -15.8 | 0 | 0 | 116.5 | P467 Q471 M472 | P467-Q469 PolarHBondContact O-N 3.45Å; Q469-Q471 VanDerWaalsContact C-N 3.33Å; Q469-Q471 PolarHBondContact O-N 3.35Å; Q469-M472 PolarHBondContact O-N 3.43Å |
| 470 | P | 46.8 | Very low | 52 | Low | 73.5 Ų | 73.5 | 101.4 Ų | 101.4 | 48% | 0.477 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67 | -40.6 | -176.7 | 3 | -0.2 | 0 | 0 | 0 | 112.5 | P467 M472 K473 D474 | P467-P470 HydrophobicContact CB-CG 4.4Å; P467-P470 WeakPolarHBondContact O-CD 3.09Å; P470-M472 VanDerWaalsContact C-N 3.29Å; P470-M472 PolarHBondContact O-N 3.2Å; P470-K473 WeakPolarHBondContact O-CB 3.47Å; P470-K473 PolarHBondContact O-N 3.22Å; P470-K473 VanDerWaalsContact O-N 3.16Å; P470-D474 WeakPolarHBondContact O-CB 3.34Å; P470-D474 PolarHBondContact O-N 3.03Å; P470-D474 VanDerWaalsContact O-N 3.11Å |
| 471 | Q | 52 | Low | 54.5 | Low | 147.5 Ų | 147.5 | 97.7 Ų | 97.7 | 69% | 0.689 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -35.9 | -175.4 | -71.1 | -168.8 | -29 | 0 | 0 | 113.9 | Q469 K473 N475 | Q469-Q471 VanDerWaalsContact C-N 3.33Å; Q469-Q471 PolarHBondContact O-N 3.35Å; Q471-K473 VanDerWaalsContact C-N 3.31Å; Q471-N475 VanDerWaalsContact O-CB 3.29Å; Q471-N475 WeakPolarHBondContact O-CB 3.33Å; Q471-N475 PolarHBondContact O-N 3.31Å |
| 472 | M | 53 | Low | 57.1 | Low | 95 Ų | 95 | 91.1 Ų | 91.1 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 178.1 | -128.3 | -168.5 | 167.4 | 0 | 0 | 112.2 | A426 Q469 P470 D474 N475 I476 | A426-M472 HydrophobicContact CB-CE 3.38Å; A426-M472 HydrophobicContact CB-SD 4.04Å; Q469-M472 PolarHBondContact O-N 3.43Å; P470-M472 VanDerWaalsContact C-N 3.29Å; P470-M472 PolarHBondContact O-N 3.2Å; M472-D474 VanDerWaalsContact C-N 3.31Å; M472-N475 WeakPolarHBondContact O-CB 3.21Å; M472-N475 PolarHBondContact O-N 3.35Å; M472-I476 HydrophobicContact CE-CD1 3.92Å; M472-I476 HydrophobicContact CG-CD1 4.46Å; M472-I476 PolarHBondContact O-N 2.88Å |
| 473 | K | 55.5 | Low | 60 | Low | 83.5 Ų | 83.5 | 89.1 Ų | 89.1 | 36% | 0.363 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 177.8 | -175.3 | -174.3 | 170 | -156.5 | 0 | 110.6 | P470 Q471 N475 I476 D477 | P470-K473 WeakPolarHBondContact O-CB 3.47Å; P470-K473 PolarHBondContact O-N 3.22Å; P470-K473 VanDerWaalsContact O-N 3.16Å; Q471-K473 VanDerWaalsContact C-N 3.31Å; K473-N475 PolarHBondContact O-N 3.43Å; K473-I476 PolarHBondContact O-N 3.17Å; K473-D477 IonicContact NZ-OD2 2.87Å; K473-D477 PolarHBondContact O-N 3.35Å |
| 474 | D | 61.9 | Low | 62.5 | Low | 85 Ų | 85 | 84.9 Ų | 84.9 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.3 | -33.1 | 177.6 | -62.1 | -19.9 | 0 | 0 | 0 | 111.1 | P470 M472 M478 | P470-D474 WeakPolarHBondContact O-CB 3.34Å; P470-D474 PolarHBondContact O-N 3.03Å; P470-D474 VanDerWaalsContact O-N 3.11Å; M472-D474 VanDerWaalsContact C-N 3.31Å; D474-M478 VanDerWaalsContact O-CB 3.3Å; D474-M478 WeakPolarHBondContact O-CB 3.35Å; D474-M478 VanDerWaalsContact O-CG 3.26Å; D474-M478 WeakPolarHBondContact O-CG 3.38Å; D474-M478 PolarHBondContact O-N 3.26Å |
| 475 | N | 77.4 | Confident | 65 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.1 | -169.5 | 9.8 | 0 | 0 | 0 | 113 | Q471 M472 K473 D477 M478 K479 | Q471-N475 VanDerWaalsContact O-CB 3.29Å; Q471-N475 WeakPolarHBondContact O-CB 3.33Å; Q471-N475 PolarHBondContact O-N 3.31Å; M472-N475 WeakPolarHBondContact O-CB 3.21Å; M472-N475 PolarHBondContact O-N 3.35Å; K473-N475 PolarHBondContact O-N 3.43Å; N475-D477 VanDerWaalsContact C-N 3.34Å; N475-M478 HydrophobicContact CB-CE 4.47Å; N475-M478 PolarHBondContact O-N 3.19Å; N475-K479 WeakPolarHBondContact O-CB 3.46Å; N475-K479 VanDerWaalsContact O-CG 3.28Å; N475-K479 WeakPolarHBondContact O-CG 3.4Å; N475-K479 PolarHBondContact O-N 3.11Å; N475-K479 WeakPolarHBondContact OD1-CE 3.34Å |
| 476 | I | 74.4 | Confident | 67.7 | Low | 22.5 Ų | 22.5 | 81.6 Ų | 81.6 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 177.2 | -64.3 | 166.5 | 0 | 0 | 0 | 110.4 | F329 A423 M472 K473 M478 K479 F480 | F329-I476 HydrophobicContact CZ-CG2 4.06Å; A423-I476 HydrophobicContact CB-CD1 3.9Å; M472-I476 HydrophobicContact CE-CD1 3.92Å; M472-I476 HydrophobicContact CG-CD1 4.46Å; M472-I476 PolarHBondContact O-N 2.88Å; K473-I476 PolarHBondContact O-N 3.17Å; I476-M478 PolarHBondContact O-N 2.97Å; I476-K479 PolarHBondContact O-N 3.24Å; I476-F480 WeakPolarHBondContact O-CB 3.38Å; I476-F480 PolarHBondContact O-N 3.07Å |
| 477 | D | 75 | Confident | 70.3 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.134 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.4 | -68.7 | -14.5 | 0 | 0 | 0 | 110.4 | F329 K473 N475 K479 F480 D481 | F329-D477 VanDerWaalsContact CE1-OD1 3.32Å; F329-D477 WeakPolarHBondContact CE1-OD1 3.29Å; K473-D477 IonicContact NZ-OD2 2.87Å; K473-D477 PolarHBondContact O-N 3.35Å; N475-D477 VanDerWaalsContact C-N 3.34Å; D477-K479 PolarHBondContact O-N 2.95Å; D477-F480 PolarHBondContact O-N 2.92Å; D477-D481 PolarHBondContact O-N 3.23Å |
| 478 | M | 81.9 | Confident | 72.7 | Confident | 125.5 Ų | 125.5 | 73.5 Ų | 73.5 | 62% | 0.618 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 174.1 | -77.3 | -172.9 | -114.5 | 0 | 0 | 113.5 | D474 N475 I476 A482 | D474-M478 VanDerWaalsContact O-CB 3.3Å; D474-M478 WeakPolarHBondContact O-CB 3.35Å; D474-M478 VanDerWaalsContact O-CG 3.26Å; D474-M478 WeakPolarHBondContact O-CG 3.38Å; D474-M478 PolarHBondContact O-N 3.26Å; N475-M478 HydrophobicContact CB-CE 4.47Å; N475-M478 PolarHBondContact O-N 3.19Å; I476-M478 PolarHBondContact O-N 2.97Å; M478-A482 WeakPolarHBondContact O-CB 3.38Å; M478-A482 PolarHBondContact O-N 3.23Å |
| 479 | K | 86 | Confident | 75.1 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 176.5 | -72.6 | -179.7 | -179.6 | -174.1 | 0 | 111.9 | L419 E422 N475 I476 D477 A482 L483 | L419-K479 HydrophobicContact CD1-CB 4.09Å; L419-K479 HydrophobicContact CD2-CB 3.58Å; L419-K479 HydrophobicContact CD2-CD 3.41Å; L419-K479 VanDerWaalsContact CD2-CD 3.47Å; L419-K479 HydrophobicContact CD2-CG 4.13Å; L419-K479 HydrophobicContact CG-CB 4.5Å; E422-K479 IonicContact OE1-NZ 3.28Å; E422-K479 PolarHBondContact OE1-NZ 3.04Å; E422-K479 IonicContact OE2-NZ 3.44Å; E422-K479 PolarHBondContact OE2-NZ 3.14Å; N475-K479 WeakPolarHBondContact O-CB 3.46Å; N475-K479 VanDerWaalsContact O-CG 3.28Å; N475-K479 WeakPolarHBondContact O-CG 3.4Å; N475-K479 PolarHBondContact O-N 3.11Å; N475-K479 WeakPolarHBondContact OD1-CE 3.34Å; I476-K479 PolarHBondContact O-N 3.24Å; D477-K479 PolarHBondContact O-N 2.95Å; K479-A482 WeakPolarHBondContact O-CB 3.4Å; K479-A482 PolarHBondContact O-N 2.88Å; K479-L483 WeakPolarHBondContact O-CG 3.27Å; K479-L483 PolarHBondContact O-N 2.76Å |
| 480 | F | 82 | Confident | 77.3 | Confident | 18.5 Ų | 18.5 | 71.3 Ų | 71.3 | 8% | 0.081 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 174.4 | -173.2 | -90.4 | 0 | 0 | 0 | 111.7 | F412 L419 I476 D477 A482 L483 L484 | F412-F480 HydrophobicContact CE1-CE2 4.18Å; F412-F480 HydrophobicContact CE1-CZ 4.45Å; F412-F480 HydrophobicContact CZ-CD2 4.36Å; F412-F480 AromaticContact CZ-CE2 3.63Å; F412-F480 HydrophobicContact CZ-CE2 3.63Å; F412-F480 AromaticContact CZ-CZ 3.78Å; F412-F480 HydrophobicContact CZ-CZ 3.78Å; L419-F480 HydrophobicContact CD1-CB 4.43Å; I476-F480 WeakPolarHBondContact O-CB 3.38Å; I476-F480 PolarHBondContact O-N 3.07Å; D477-F480 PolarHBondContact O-N 2.92Å; F480-A482 PolarHBondContact O-N 2.94Å; F480-L483 WeakPolarHBondContact O-CB 3.38Å; F480-L483 PolarHBondContact O-N 2.94Å; F480-L483 VanDerWaalsContact O-N 3.14Å; F480-L484 PolarHBondContact O-N 2.86Å |
| 481 | D | 82.4 | Confident | 79.5 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -29 | 173 | -80.3 | -8.8 | 0 | 0 | 0 | 112 | D477 L484 R485 | D477-D481 PolarHBondContact O-N 3.23Å; D481-L484 PolarHBondContact O-N 3.25Å; D481-R485 WeakPolarHBondContact O-CB 3.48Å; D481-R485 VanDerWaalsContact O-CG 3.3Å; D481-R485 WeakPolarHBondContact O-CG 3.21Å; D481-R485 PolarHBondContact O-N 3.15Å; D481-R485 PolarHBondContact O-NE 2.85Å |
| 482 | A | 88.5 | Confident | 81.6 | Confident | 36.5 Ų | 36.5 | 64.6 Ų | 64.6 | 30% | 0.302 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.9 | -48.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M478 K479 F480 L484 R485 D486 | M478-A482 WeakPolarHBondContact O-CB 3.38Å; M478-A482 PolarHBondContact O-N 3.23Å; K479-A482 WeakPolarHBondContact O-CB 3.4Å; K479-A482 PolarHBondContact O-N 2.88Å; F480-A482 PolarHBondContact O-N 2.94Å; A482-L484 VanDerWaalsContact C-N 3.27Å; A482-L484 PolarHBondContact O-N 2.85Å; A482-R485 PolarHBondContact O-N 3Å; A482-D486 WeakPolarHBondContact O-CB 3.31Å; A482-D486 VanDerWaalsContact O-CG 3.29Å; A482-D486 PolarHBondContact O-N 2.94Å |
| 483 | L | 89 | Confident | 83.6 | Confident | 27.5 Ų | 27.5 | 60.1 Ų | 60.1 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.9 | -37.6 | 175.7 | -68.1 | 175.1 | 0 | 0 | 0 | 112.6 | F412 L419 K479 F480 D486 W487 | F412-L483 HydrophobicContact CD2-CB 3.84Å; F412-L483 HydrophobicContact CE2-CB 3.66Å; F412-L483 HydrophobicContact CZ-CB 4.44Å; L419-L483 HydrophobicContact CD1-CD1 3.65Å; L419-L483 HydrophobicContact CG-CD1 4.45Å; K479-L483 WeakPolarHBondContact O-CG 3.27Å; K479-L483 PolarHBondContact O-N 2.76Å; F480-L483 WeakPolarHBondContact O-CB 3.38Å; F480-L483 PolarHBondContact O-N 2.94Å; F480-L483 VanDerWaalsContact O-N 3.14Å; L483-D486 PolarHBondContact O-N 2.98Å; L483-W487 PolarHBondContact O-N 2.98Å |
| 484 | L | 85.9 | Confident | 85.5 | Confident | 22.5 Ų | 22.5 | 56.1 Ų | 56.1 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -36.1 | 176.7 | -172.9 | 67.3 | 0 | 0 | 0 | 112.4 | F264 F480 D481 A482 D486 W487 Q488 | F264-L484 HydrophobicContact CD1-CD2 3.92Å; F264-L484 HydrophobicContact CE1-CD2 4.38Å; F480-L484 PolarHBondContact O-N 2.86Å; D481-L484 PolarHBondContact O-N 3.25Å; A482-L484 VanDerWaalsContact C-N 3.27Å; A482-L484 PolarHBondContact O-N 2.85Å; L484-D486 VanDerWaalsContact C-N 3.35Å; L484-W487 WeakPolarHBondContact O-CB 3.25Å; L484-W487 PolarHBondContact O-N 3.12Å; L484-Q488 WeakPolarHBondContact O-CG 3.4Å; L484-Q488 PolarHBondContact O-N 3.24Å; L484-Q488 VanDerWaalsContact O-N 3.1Å |
| 485 | R | 87.7 | Confident | 87.1 | Confident | 129.5 Ų | 129.5 | 52.2 Ų | 52.2 | 49% | 0.489 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 172.4 | -76.9 | 176.1 | -119.9 | 165 | 3.6 | 111.4 | D481 A482 W487 Q488 Q489 | D481-R485 WeakPolarHBondContact O-CB 3.48Å; D481-R485 VanDerWaalsContact O-CG 3.3Å; D481-R485 WeakPolarHBondContact O-CG 3.21Å; D481-R485 PolarHBondContact O-N 3.15Å; D481-R485 PolarHBondContact O-NE 2.85Å; A482-R485 PolarHBondContact O-N 3Å; R485-W487 VanDerWaalsContact C-N 3.31Å; R485-W487 PolarHBondContact O-N 2.98Å; R485-Q488 PolarHBondContact O-N 3.04Å; R485-Q488 VanDerWaalsContact O-N 3.14Å; R485-Q489 WeakPolarHBondContact O-CB 3.12Å; R485-Q489 WeakPolarHBondContact O-CG 3.42Å; R485-Q489 PolarHBondContact O-N 2.65Å |
| 486 | D | 89.6 | Confident | 87.8 | Confident | 81.5 Ų | 81.5 | 48.7 Ų | 48.7 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 175.5 | -69.8 | -11.5 | 0 | 0 | 0 | 110.9 | A482 L483 L484 Q488 Q489 T490 | A482-D486 WeakPolarHBondContact O-CB 3.31Å; A482-D486 VanDerWaalsContact O-CG 3.29Å; A482-D486 PolarHBondContact O-N 2.94Å; L483-D486 PolarHBondContact O-N 2.98Å; L484-D486 VanDerWaalsContact C-N 3.35Å; D486-Q488 VanDerWaalsContact C-N 3.33Å; D486-Q488 PolarHBondContact O-N 3.17Å; D486-Q489 PolarHBondContact O-N 3.08Å; D486-T490 VanDerWaalsContact O-CB 3.3Å; D486-T490 WeakPolarHBondContact O-CB 3.29Å; D486-T490 VanDerWaalsContact O-CG2 3.26Å; D486-T490 WeakPolarHBondContact O-CG2 3.24Å; D486-T490 PolarHBondContact O-N 3.1Å; D486-T490 PolarHBondContact O-OG1 2.96Å |
| 487 | W | 90.2 | Very high | 88.7 | Confident | 6.5 Ų | 6.5 | 48.1 Ų | 48.1 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.3 | -48 | 171.4 | 179.7 | -73.6 | 0 | 0 | 0 | 112.1 | K255 I260 V265 K408 E409 F412 L483 L484 R485 D513 | K255-W487 WeakPolarHBondContact O-CH2 3.48Å; I260-W487 HydrophobicContact CD1-CD2 4.04Å; I260-W487 HydrophobicContact CD1-CE3 3.58Å; I260-W487 HydrophobicContact CD1-CH2 4.21Å; I260-W487 HydrophobicContact CD1-CZ3 3.66Å; V265-W487 HydrophobicContact CG1-CZ2 3.94Å; V265-W487 HydrophobicContact CG2-CD2 4.38Å; V265-W487 HydrophobicContact CG2-CG 4.47Å; V265-W487 HydrophobicContact CG2-CZ2 4.44Å; K408-W487 VanDerWaalsContact C-CZ3 3.44Å; K408-W487 HydrophobicContact CB-CD2 3.98Å; K408-W487 HydrophobicContact CB-CE3 3.6Å; K408-W487 HydrophobicContact CB-CH2 3.86Å; K408-W487 HydrophobicContact CB-CZ2 4.23Å; K408-W487 HydrophobicContact CB-CZ3 3.56Å; K408-W487 HydrophobicContact CD-CD2 4.08Å; K408-W487 HydrophobicContact CD-CE3 4.5Å; K408-W487 HydrophobicContact CD-CG 4.28Å; K408-W487 HydrophobicContact CD-CZ2 4.45Å; K408-W487 WeakPolarHBondContact CD-O 3.25Å; K408-W487 WeakPolarHBondContact CE-O 3.48Å; K408-W487 PolarHBondContact NZ-O 3.23Å; K408-W487 WeakPolarHBondContact O-CZ3 3.18Å; E409-W487 HydrophobicContact CB-CH2 4.29Å; E409-W487 HydrophobicContact CB-CZ3 4.34Å; F412-W487 HydrophobicContact CB-CE3 4Å; F412-W487 HydrophobicContact CB-CZ3 4.24Å; F412-W487 HydrophobicContact CD2-CE3 4.33Å; F412-W487 HydrophobicContact CG-CE3 4.32Å; L483-W487 PolarHBondContact O-N 2.98Å; L484-W487 WeakPolarHBondContact O-CB 3.25Å; L484-W487 PolarHBondContact O-N 3.12Å; R485-W487 VanDerWaalsContact C-N 3.31Å; R485-W487 PolarHBondContact O-N 2.98Å; W487-D513 PolarHBondContact NE1-OD1 3.45Å; W487-D513 PolarHBondContact NE1-OD2 3.49Å |
| 488 | Q | 86.5 | Confident | 89.4 | Confident | 95 Ų | 95 | 46.9 Ų | 46.9 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.1 | -29.8 | -176.9 | -70.1 | 173.9 | -11.3 | 0 | 0 | 113.3 | L484 R485 D486 D513 | L484-Q488 WeakPolarHBondContact O-CG 3.4Å; L484-Q488 PolarHBondContact O-N 3.24Å; L484-Q488 VanDerWaalsContact O-N 3.1Å; R485-Q488 PolarHBondContact O-N 3.04Å; R485-Q488 VanDerWaalsContact O-N 3.14Å; D486-Q488 VanDerWaalsContact C-N 3.33Å; D486-Q488 PolarHBondContact O-N 3.17Å; Q488-D513 HydrophobicContact CG-CB 4.44Å |
| 489 | Q | 87.2 | Confident | 89.5 | Confident | 156.5 Ų | 156.5 | 41.4 Ų | 41.4 | 73% | 0.731 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -92.2 | -28.2 | -175.6 | -69.7 | -178.3 | 8.8 | 0 | 0 | 114.1 | R485 D486 | R485-Q489 WeakPolarHBondContact O-CB 3.12Å; R485-Q489 WeakPolarHBondContact O-CG 3.42Å; R485-Q489 PolarHBondContact O-N 2.65Å; D486-Q489 PolarHBondContact O-N 3.08Å |
| 490 | T | 91.2 | Very high | 89.2 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 36% | 0.356 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -74.6 | 161.6 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | K408 D486 | K408-T490 VanDerWaalsContact CE-C 3.43Å; K408-T490 WeakPolarHBondContact CE-O 3.33Å; K408-T490 VanDerWaalsContact CE-OG1 3.31Å; K408-T490 WeakPolarHBondContact CE-OG1 3.17Å; K408-T490 PolarHBondContact NZ-O 3.13Å; D486-T490 VanDerWaalsContact O-CB 3.3Å; D486-T490 WeakPolarHBondContact O-CB 3.29Å; D486-T490 VanDerWaalsContact O-CG2 3.26Å; D486-T490 WeakPolarHBondContact O-CG2 3.24Å; D486-T490 PolarHBondContact O-N 3.1Å; D486-T490 PolarHBondContact O-OG1 2.96Å |
| 491 | Y | 93.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 39.6 Ų | 39.6 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -90.4 | 152.9 | 173.8 | 55.5 | -95.4 | 0 | 0 | 0 | 111.7 | N407 K408 V493 T508 V509 S603 | N407-Y491 PolarHBondContact ND2-O 3.4Å; K408-Y491 VanDerWaalsContact CE-C 3.41Å; K408-Y491 WeakPolarHBondContact CE-O 3.1Å; Y491-V493 HydrophobicContact CD2-CG2 3.89Å; Y491-V493 HydrophobicContact CE2-CG2 3.72Å; Y491-T508 HydrophobicContact CD2-CG2 3.49Å; Y491-T508 VanDerWaalsContact CD2-CG2 3.49Å; Y491-T508 HydrophobicContact CE2-CG2 3.42Å; Y491-T508 VanDerWaalsContact CE2-CG2 3.45Å; Y491-T508 HydrophobicContact CG-CG2 4.36Å; Y491-V509 WeakPolarHBondContact CA-O 3.32Å; Y491-V509 WeakPolarHBondContact CB-O 3.44Å; Y491-S603 WeakPolarHBondContact OH-CB 3.35Å; Y491-S603 PolarHBondContact OH-OG 3.14Å |
| 492 | D | 95.2 | Very high | 89.6 | Confident | 1.5 Ų | 1.5 | 36.5 Ų | 36.5 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 145.1 | 169.7 | -70.7 | -87.7 | 0 | 0 | 0 | 110 | R254 W404 K408 T508 V509 L512 | R254-D492 IonicContact CZ-OD1 3.73Å; R254-D492 VanDerWaalsContact CZ-OD1 3.3Å; R254-D492 IonicContact CZ-OD2 3.6Å; R254-D492 IonicContact NE-OD1 2.7Å; R254-D492 PolarHBondContact NE-OD1 3.07Å; R254-D492 IonicContact NE-OD2 3.26Å; R254-D492 IonicContact NH2-OD1 3.87Å; R254-D492 PolarHBondContact NH2-OD1 3.04Å; R254-D492 IonicContact NH2-OD2 2.94Å; R254-D492 PolarHBondContact NH2-OD2 2.79Å; W404-D492 HydrophobicContact CE3-CB 4.3Å; W404-D492 HydrophobicContact CZ3-CB 3.8Å; K408-D492 VanDerWaalsContact CE-CG 3.45Å; K408-D492 WeakPolarHBondContact CE-OD2 3.45Å; K408-D492 IonicContact NZ-OD2 3.19Å; K408-D492 PolarHBondContact NZ-OD2 2.77Å; D492-T508 CarbonylContact O-C 3.58Å; D492-T508 WeakPolarHBondContact O-CA 3.15Å; D492-V509 HydrophobicContact CB-CB 4.33Å; D492-V509 PolarHBondContact N-O 3.45Å; D492-V509 PolarHBondContact O-N 3.06Å; D492-L512 HydrophobicContact CB-CD1 4.15Å |
| 493 | V | 95.7 | Very high | 89.8 | Confident | 0.5 Ų | 0.5 | 34.7 Ų | 34.7 | 0% | 0.003 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.5 | 175 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | L405 N407 Y491 I506 T508 | L405-V493 HydrophobicContact CB-CB 4.01Å; L405-V493 HydrophobicContact CB-CG1 4.03Å; L405-V493 VanDerWaalsContact CB-O 3.31Å; L405-V493 WeakPolarHBondContact CB-O 3.22Å; L405-V493 HydrophobicContact CD2-CB 3.95Å; L405-V493 HydrophobicContact CD2-CG1 3.63Å; L405-V493 PolarHBondContact N-O 3.18Å; N407-V493 PolarHBondContact OD1-N 3.16Å; Y491-V493 HydrophobicContact CD2-CG2 3.89Å; Y491-V493 HydrophobicContact CE2-CG2 3.72Å; V493-I506 HydrophobicContact CG1-CG2 3.79Å; V493-T508 HydrophobicContact CG2-CG2 4.44Å |
| 494 | L | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.3 | 173.5 | -63.5 | 138.8 | 0 | 0 | 0 | 109.9 | L270 I280 I379 V402 H403 W404 I506 W507 V509 | L270-L494 HydrophobicContact CD1-CD2 4.08Å; L270-L494 HydrophobicContact CD2-CD2 3.6Å; L270-L494 HydrophobicContact CG-CD2 4.46Å; I280-L494 HydrophobicContact CD1-CD1 4.46Å; I280-L494 HydrophobicContact CD1-CD2 4.39Å; I379-L494 HydrophobicContact CD1-CD1 4.49Å; I379-L494 HydrophobicContact CD1-CD2 4.12Å; V402-L494 HydrophobicContact CG1-CB 3.88Å; V402-L494 HydrophobicContact CG1-CD1 4.33Å; V402-L494 HydrophobicContact CG1-CD2 3.84Å; V402-L494 HydrophobicContact CG1-CG 4.48Å; H403-L494 CarbonylContact O-C 3.52Å; H403-L494 VanDerWaalsContact O-CA 3.23Å; H403-L494 WeakPolarHBondContact O-CA 3.34Å; H403-L494 WeakPolarHBondContact O-CB 3.47Å; W404-L494 HydrophobicContact CD2-CD2 3.78Å; W404-L494 HydrophobicContact CD2-CG 4.35Å; W404-L494 HydrophobicContact CE3-CD1 4.08Å; W404-L494 HydrophobicContact CE3-CD2 3.56Å; W404-L494 HydrophobicContact CE3-CG 4.04Å; W404-L494 HydrophobicContact CG-CD2 4.09Å; W404-L494 HydrophobicContact CH2-CD1 4.47Å; W404-L494 HydrophobicContact CH2-CD2 4.17Å; W404-L494 HydrophobicContact CZ2-CD2 4.38Å; W404-L494 HydrophobicContact CZ3-CD1 3.78Å; W404-L494 HydrophobicContact CZ3-CD2 3.78Å; W404-L494 HydrophobicContact CZ3-CG 4.12Å; L494-I506 WeakPolarHBondContact O-CA 3.4Å; L494-W507 HydrophobicContact CB-CB 4.32Å; L494-W507 PolarHBondContact N-O 3.01Å; L494-W507 PolarHBondContact O-N 2.87Å; L494-V509 HydrophobicContact CD1-CB 4.24Å; L494-V509 HydrophobicContact CD1-CG2 3.4Å; L494-V509 VanDerWaalsContact CD1-CG2 3.47Å; L494-V509 HydrophobicContact CG-CG2 3.98Å |
| 495 | F | 94.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 159.2 | 176.7 | 73.8 | -81.9 | 0 | 0 | 0 | 111.8 | V402 H403 L405 L504 L505 I506 L543 L545 L580 | V402-F495 WeakPolarHBondContact CA-O 3.45Å; H403-F495 HydrophobicContact CB-CD1 4.2Å; H403-F495 HydrophobicContact CB-CE1 3.63Å; H403-F495 HydrophobicContact CB-CE2 4.2Å; H403-F495 HydrophobicContact CB-CZ 3.63Å; H403-F495 PolarHBondContact N-O 3.32Å; H403-F495 PolarHBondContact O-N 2.84Å; L405-F495 HydrophobicContact CB-CD1 4.24Å; L405-F495 HydrophobicContact CD1-CD1 4.36Å; L405-F495 HydrophobicContact CD1-CE1 4.31Å; F495-L504 HydrophobicContact CB-CD1 4.1Å; F495-L504 HydrophobicContact CD2-CD1 3.75Å; F495-L504 HydrophobicContact CG-CD1 4.34Å; F495-L505 CarbonylContact C-O 3.58Å; F495-L505 WeakPolarHBondContact CA-O 3.28Å; F495-L505 WeakPolarHBondContact CB-O 3.33Å; F495-I506 HydrophobicContact CB-CG1 4.5Å; F495-L543 HydrophobicContact CE2-CD1 4.08Å; F495-L545 HydrophobicContact CE1-CD1 3.87Å; F495-L545 HydrophobicContact CZ-CD1 4.34Å; F495-L580 HydrophobicContact CE2-CD1 4.18Å; F495-L580 HydrophobicContact CE2-CD2 4.27Å; F495-L580 HydrophobicContact CZ-CD1 3.93Å |
| 496 | A | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 147.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | M400 A401 V402 L505 W507 | M400-A496 HydrophobicContact CE-CB 3.31Å; M400-A496 HydrophobicContact CG-CB 4.5Å; A401-A496 VanDerWaalsContact O-CB 3.28Å; A401-A496 WeakPolarHBondContact O-CB 3.29Å; V402-A496 HydrophobicContact CG2-CB 4.14Å; A496-L505 PolarHBondContact N-O 3Å; A496-L505 PolarHBondContact O-N 3.09Å; A496-W507 HydrophobicContact CB-CH2 4.1Å; A496-W507 HydrophobicContact CB-CZ3 3.74Å |
| 497 | I | 92.7 | Very high | 90.9 | Very high | 9 Ų | 9 | 22.6 Ų | 22.6 | 5% | 0.046 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.9 | 170 | -57.5 | 173 | 0 | 0 | 0 | 107 | L504 F531 A536 L539 L543 L580 T582 | I497-L504 HydrophobicContact CG1-CD1 4.28Å; I497-F531 HydrophobicContact CB-CD2 4.47Å; I497-F531 HydrophobicContact CD1-CD1 4.24Å; I497-F531 HydrophobicContact CD1-CD2 4.03Å; I497-F531 HydrophobicContact CD1-CE1 3.8Å; I497-F531 HydrophobicContact CD1-CE2 3.59Å; I497-F531 HydrophobicContact CD1-CG 4.34Å; I497-F531 HydrophobicContact CD1-CZ 3.46Å; I497-F531 VanDerWaalsContact CD1-CZ 3.46Å; I497-F531 HydrophobicContact CG1-CD2 4.01Å; I497-F531 HydrophobicContact CG1-CE2 3.62Å; I497-F531 HydrophobicContact CG1-CZ 4.01Å; I497-F531 HydrophobicContact CG2-CB 4.4Å; I497-F531 HydrophobicContact CG2-CD2 3.74Å; I497-F531 HydrophobicContact CG2-CE2 4.27Å; I497-F531 HydrophobicContact CG2-CG 4.09Å; I497-A536 HydrophobicContact CG2-CB 4.48Å; I497-L539 HydrophobicContact CB-CD2 3.8Å; I497-L539 HydrophobicContact CD1-CD2 3.86Å; I497-L539 HydrophobicContact CG1-CD2 4.38Å; I497-L539 HydrophobicContact CG2-CD2 3.96Å; I497-L543 HydrophobicContact CD1-CD1 4.12Å; I497-L580 HydrophobicContact CD1-CD2 4.1Å; I497-T582 HydrophobicContact CD1-CG2 3.94Å |
| 498 | H | 89.4 | Confident | 91.2 | Very high | 0.5 Ų | 0.5 | 23.3 Ų | 23.3 | 0% | 0.002 | 12% | 0.115 | C | C | . | . | trans | -74.9 | 121.9 | -178.9 | -173.3 | -106.5 | 0 | 0 | 0 | 110.5 | V388 P389 V391 V500 D501 G502 S503 L505 | V388-H498 VanDerWaalsContact CG1-CD2 3.43Å; V388-H498 WeakPolarHBondContact CG1-CD2 3.44Å; V388-H498 VanDerWaalsContact CG1-NE2 3.26Å; V388-H498 WeakPolarHBondContact CG1-NE2 3.36Å; P389-H498 PolarHBondContact O-CE1 3.27Å; P389-H498 VanDerWaalsContact O-CE1 3.28Å; P389-H498 PolarHBondContact O-NE2 2.95Å; V391-H498 WeakPolarHBondContact CG2-NE2 3.38Å; H498-V500 VanDerWaalsContact C-N 3.29Å; H498-V500 PolarHBondContact O-N 3.03Å; H498-D501 VanDerWaalsContact CB-OD1 3.27Å; H498-D501 WeakPolarHBondContact CB-OD1 3.46Å; H498-D501 IonicContact CE1-OD1 2.96Å; H498-D501 IonicContact CG-OD1 3.4Å; H498-D501 VanDerWaalsContact CG-OD1 3.31Å; H498-D501 IonicContact ND1-OD1 3.24Å; H498-D501 PolarHBondContact ND1-OD1 3.13Å; H498-G502 VanDerWaalsContact O-CA 3.23Å; H498-G502 WeakPolarHBondContact O-CA 3.23Å; H498-G502 PolarHBondContact O-N 3.35Å; H498-S503 WeakPolarHBondContact CB-OG 3.38Å; H498-S503 PolarHBondContact N-O 3.17Å; H498-L505 HydrophobicContact CB-CD1 4.13Å | ||
| 499 | P | 83.6 | Confident | 91.6 | Very high | 10.5 Ų | 10.5 | 18.8 Ų | 18.8 | 7% | 0.068 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -22.4 | -167.2 | 25.8 | -34.4 | 0 | 0 | 0 | 114 | V391 A536 A537 | V391-P499 HydrophobicContact CG1-CG 4.32Å; P499-A536 CarbonylContact O-C 3.57Å; P499-A537 PolarHBondContact O-N 2.98Å |
| 500 | V | 80.2 | Confident | 91.9 | Very high | 28 Ų | 28 | 14.3 Ų | 14.3 | 17% | 0.17 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -27.2 | -173.6 | -173.5 | 0 | 0 | 0 | 0 | 113.4 | C394 H498 L533 | C394-V500 HydrophobicContact CB-CG2 4.33Å; H498-V500 VanDerWaalsContact C-N 3.29Å; H498-V500 PolarHBondContact O-N 3.03Å; V500-L533 WeakPolarHBondContact O-CD1 3.39Å |
| 501 | D | 84.8 | Confident | 91.8 | Very high | 19.5 Ų | 19.5 | 15.4 Ų | 15.4 | 10% | 0.104 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132 | -2.6 | -176.8 | 76.8 | -18.9 | 0 | 0 | 0 | 113.9 | H498 S503 R526 L529 | H498-D501 VanDerWaalsContact CB-OD1 3.27Å; H498-D501 WeakPolarHBondContact CB-OD1 3.46Å; H498-D501 IonicContact CE1-OD1 2.96Å; H498-D501 IonicContact CG-OD1 3.4Å; H498-D501 VanDerWaalsContact CG-OD1 3.31Å; H498-D501 IonicContact ND1-OD1 3.24Å; H498-D501 PolarHBondContact ND1-OD1 3.13Å; D501-S503 VanDerWaalsContact C-N 3.26Å; D501-S503 PolarHBondContact O-N 3.32Å; D501-S503 VanDerWaalsContact OD1-CB 3.3Å; D501-S503 WeakPolarHBondContact OD1-CB 3.16Å; D501-S503 PolarHBondContact OD1-N 2.97Å; D501-S503 PolarHBondContact OD1-OG 3.05Å; D501-S503 VanDerWaalsContact OD1-OG 3.11Å; D501-S503 PolarHBondContact OD2-OG 3.14Å; D501-R526 IonicContact OD2-CZ 3.67Å; D501-R526 IonicContact OD2-NE 3.16Å; D501-R526 IonicContact OD2-NH2 3.35Å; D501-R526 PolarHBondContact OD2-NH2 3.13Å; D501-L529 HydrophobicContact CB-CD2 4.46Å; D501-L529 VanDerWaalsContact O-CD2 3.29Å; D501-L529 WeakPolarHBondContact O-CD2 3.39Å |
| 502 | G | 88.6 | Confident | 91.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | 66.9 | 17.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H498 A530 F531 A536 | H498-G502 VanDerWaalsContact O-CA 3.23Å; H498-G502 WeakPolarHBondContact O-CA 3.23Å; H498-G502 PolarHBondContact O-N 3.35Å; G502-A530 PolarHBondContact O-N 3.2Å; G502-A530 VanDerWaalsContact O-N 3.09Å; G502-F531 PolarHBondContact O-N 3.22Å; G502-A536 VanDerWaalsContact CA-CB 3.5Å | ||
| 503 | S | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -66.9 | 137.9 | 172.7 | -4.4 | 0 | 0 | 0 | 0 | 111.4 | H498 D501 R526 L527 P528 | H498-S503 WeakPolarHBondContact CB-OG 3.38Å; H498-S503 PolarHBondContact N-O 3.17Å; D501-S503 VanDerWaalsContact C-N 3.26Å; D501-S503 PolarHBondContact O-N 3.32Å; D501-S503 VanDerWaalsContact OD1-CB 3.3Å; D501-S503 WeakPolarHBondContact OD1-CB 3.16Å; D501-S503 PolarHBondContact OD1-N 2.97Å; D501-S503 PolarHBondContact OD1-OG 3.05Å; D501-S503 VanDerWaalsContact OD1-OG 3.11Å; D501-S503 PolarHBondContact OD2-OG 3.14Å; S503-R526 PolarHBondContact OG-NE 2.87Å; S503-R526 PolarHBondContact OG-NH2 2.81Å; S503-L527 CarbonylContact C-O 3.52Å; S503-L527 VanDerWaalsContact CA-O 3.26Å; S503-L527 WeakPolarHBondContact CA-O 3.14Å; S503-L527 WeakPolarHBondContact CB-O 3.18Å; S503-P528 WeakPolarHBondContact OG-CA 3.35Å | ||
| 504 | L | 93.7 | Very high | 90.5 | Very high | 1.5 Ų | 1.5 | 15.7 Ų | 15.7 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.2 | 167.5 | -178.6 | 66.4 | 0 | 0 | 0 | 108.3 | F495 I497 I506 R526 L527 A530 F531 I605 V608 | F495-L504 HydrophobicContact CB-CD1 4.1Å; F495-L504 HydrophobicContact CD2-CD1 3.75Å; F495-L504 HydrophobicContact CG-CD1 4.34Å; I497-L504 HydrophobicContact CG1-CD1 4.28Å; L504-I506 HydrophobicContact CD2-CD1 4.3Å; L504-I506 HydrophobicContact CD2-CG1 4.42Å; L504-I506 HydrophobicContact CG-CD1 4.49Å; L504-I506 HydrophobicContact CG-CG1 4.27Å; L504-R526 CarbonylContact O-C 3.6Å; L504-R526 WeakPolarHBondContact O-CA 3.36Å; L504-L527 HydrophobicContact CB-CB 4.25Å; L504-L527 HydrophobicContact CD2-CD1 4.2Å; L504-L527 PolarHBondContact N-O 3Å; L504-L527 PolarHBondContact O-N 2.92Å; L504-A530 HydrophobicContact CB-CB 3.89Å; L504-F531 HydrophobicContact CB-CE2 4.28Å; L504-F531 HydrophobicContact CD1-CE2 4.33Å; L504-I605 HydrophobicContact CD2-CD1 4.25Å; L504-I605 HydrophobicContact CD2-CG2 4.22Å; L504-V608 HydrophobicContact CD2-CG2 3.78Å |
| 505 | L | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 137.7 | 179.1 | -58.4 | 173.5 | 0 | 0 | 0 | 108.9 | A381 V388 M400 F495 A496 H498 W507 F523 R526 | A381-L505 HydrophobicContact CB-CD1 4.07Å; V388-L505 HydrophobicContact CG1-CD1 4.46Å; V388-L505 HydrophobicContact CG2-CD1 4Å; V388-L505 HydrophobicContact CG2-CD2 3.75Å; M400-L505 HydrophobicContact CE-CD1 3.62Å; F495-L505 CarbonylContact C-O 3.58Å; F495-L505 WeakPolarHBondContact CA-O 3.28Å; F495-L505 WeakPolarHBondContact CB-O 3.33Å; A496-L505 PolarHBondContact N-O 3Å; A496-L505 PolarHBondContact O-N 3.09Å; H498-L505 HydrophobicContact CB-CD1 4.13Å; L505-W507 HydrophobicContact CB-CE3 4.39Å; L505-W507 HydrophobicContact CB-CH2 3.36Å; L505-W507 HydrophobicContact CB-CZ2 4.24Å; L505-W507 HydrophobicContact CB-CZ3 3.5Å; L505-W507 VanDerWaalsContact CB-CZ3 3.46Å; L505-W507 HydrophobicContact CD1-CH2 3.89Å; L505-W507 HydrophobicContact CD1-CZ2 4.38Å; L505-W507 HydrophobicContact CG-CH2 4.25Å; L505-W507 WeakPolarHBondContact O-CZ3 3.42Å; L505-F523 HydrophobicContact CB-CE2 4.38Å; L505-F523 HydrophobicContact CD2-CE2 4.19Å; L505-F523 HydrophobicContact CD2-CZ 4.32Å; L505-R526 HydrophobicContact CD2-CB 3.94Å; L505-R526 HydrophobicContact CD2-CG 3.71Å |
| 506 | I | 94.3 | Very high | 88.6 | Confident | 4.5 Ų | 4.5 | 26.6 Ų | 26.6 | 2% | 0.023 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.4 | -174.2 | -55 | 179.7 | 0 | 0 | 0 | 109.8 | V493 L494 F495 L504 A524 S525 I605 | V493-I506 HydrophobicContact CG1-CG2 3.79Å; L494-I506 WeakPolarHBondContact O-CA 3.4Å; F495-I506 HydrophobicContact CB-CG1 4.5Å; L504-I506 HydrophobicContact CD2-CD1 4.3Å; L504-I506 HydrophobicContact CD2-CG1 4.42Å; L504-I506 HydrophobicContact CG-CD1 4.49Å; L504-I506 HydrophobicContact CG-CG1 4.27Å; I506-A524 HydrophobicContact CG2-CB 4.29Å; I506-A524 WeakPolarHBondContact O-CB 3.46Å; I506-A524 PolarHBondContact O-N 2.99Å; I506-S525 PolarHBondContact N-O 3.1Å; I506-S525 PolarHBondContact O-N 3.14Å; I506-I605 HydrophobicContact CD1-CB 3.88Å; I506-I605 HydrophobicContact CD1-CD1 3.94Å; I506-I605 HydrophobicContact CD1-CG1 4.17Å |
| 507 | W | 94.6 | Very high | 88.1 | Confident | 0.5 Ų | 0.5 | 33.6 Ų | 33.6 | 0% | 0.002 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.2 | 173.3 | -62.4 | -103.8 | 0 | 0 | 0 | 110.4 | I379 A381 D384 M400 L494 A496 L505 V521 S522 F523 | I379-W507 HydrophobicContact CG2-CD2 3.88Å; I379-W507 VanDerWaalsContact CG2-CE2 3.47Å; I379-W507 HydrophobicContact CG2-CG 4.2Å; I379-W507 HydrophobicContact CG2-CH2 4.49Å; I379-W507 HydrophobicContact CG2-CZ2 3.83Å; A381-W507 HydrophobicContact CB-CH2 4.21Å; A381-W507 HydrophobicContact CB-CZ2 3.92Å; D384-W507 PolarHBondContact OD2-NE1 2.84Å; M400-W507 HydrophobicContact CE-CH2 3.6Å; M400-W507 HydrophobicContact CE-CZ2 4.44Å; M400-W507 HydrophobicContact CE-CZ3 4.41Å; L494-W507 HydrophobicContact CB-CB 4.32Å; L494-W507 PolarHBondContact N-O 3.01Å; L494-W507 PolarHBondContact O-N 2.87Å; A496-W507 HydrophobicContact CB-CH2 4.1Å; A496-W507 HydrophobicContact CB-CZ3 3.74Å; L505-W507 HydrophobicContact CB-CE3 4.39Å; L505-W507 HydrophobicContact CB-CH2 3.36Å; L505-W507 HydrophobicContact CB-CZ2 4.24Å; L505-W507 HydrophobicContact CB-CZ3 3.5Å; L505-W507 VanDerWaalsContact CB-CZ3 3.46Å; L505-W507 HydrophobicContact CD1-CH2 3.89Å; L505-W507 HydrophobicContact CD1-CZ2 4.38Å; L505-W507 HydrophobicContact CG-CH2 4.25Å; L505-W507 WeakPolarHBondContact O-CZ3 3.42Å; W507-V521 HydrophobicContact CB-CG1 4.24Å; W507-V521 HydrophobicContact CG-CG1 4.34Å; W507-S522 CarbonylContact C-O 3.51Å; W507-S522 VanDerWaalsContact CA-O 3.25Å; W507-S522 WeakPolarHBondContact CA-O 3.32Å; W507-S522 WeakPolarHBondContact CB-O 3.48Å; W507-F523 AromaticContact CD1-CD2 3.95Å; W507-F523 HydrophobicContact CD2-CD2 4.31Å; W507-F523 AromaticContact CE2-CD2 3.81Å; W507-F523 HydrophobicContact CG-CD2 4.44Å; W507-F523 HydrophobicContact CZ2-CD2 4.22Å; W507-F523 HydrophobicContact CZ2-CE2 4.33Å; W507-F523 AromaticContact NE1-CD2 3.69Å |
| 508 | T | 95.4 | Very high | 87.8 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 13% | 0.129 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.6 | 167 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | Y491 D492 V493 V521 S522 A524 | Y491-T508 HydrophobicContact CD2-CG2 3.49Å; Y491-T508 VanDerWaalsContact CD2-CG2 3.49Å; Y491-T508 HydrophobicContact CE2-CG2 3.42Å; Y491-T508 VanDerWaalsContact CE2-CG2 3.45Å; Y491-T508 HydrophobicContact CG-CG2 4.36Å; D492-T508 CarbonylContact O-C 3.58Å; D492-T508 WeakPolarHBondContact O-CA 3.15Å; V493-T508 HydrophobicContact CG2-CG2 4.44Å; T508-V521 WeakPolarHBondContact O-CA 3.38Å; T508-S522 PolarHBondContact N-O 2.95Å; T508-S522 PolarHBondContact O-N 2.84Å; T508-A524 HydrophobicContact CG2-CB 4.07Å |
| 509 | V | 95 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 113.3 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 109.6 | I280 Y491 D492 L494 L512 A519 Q520 V521 | I280-V509 HydrophobicContact CD1-CG2 4.17Å; Y491-V509 WeakPolarHBondContact CA-O 3.32Å; Y491-V509 WeakPolarHBondContact CB-O 3.44Å; D492-V509 HydrophobicContact CB-CB 4.33Å; D492-V509 PolarHBondContact N-O 3.45Å; D492-V509 PolarHBondContact O-N 3.06Å; L494-V509 HydrophobicContact CD1-CB 4.24Å; L494-V509 HydrophobicContact CD1-CG2 3.4Å; L494-V509 VanDerWaalsContact CD1-CG2 3.47Å; L494-V509 HydrophobicContact CG-CG2 3.98Å; V509-L512 HydrophobicContact CB-CD1 3.8Å; V509-L512 HydrophobicContact CB-CG 4.36Å; V509-L512 HydrophobicContact CG1-CB 4.16Å; V509-L512 HydrophobicContact CG1-CD1 3.87Å; V509-L512 HydrophobicContact CG1-CD2 4.3Å; V509-L512 HydrophobicContact CG1-CG 4.04Å; V509-A519 HydrophobicContact CG1-CB 4.34Å; V509-Q520 CarbonylContact C-O 3.57Å; V509-Q520 VanDerWaalsContact CA-O 3.31Å; V509-Q520 WeakPolarHBondContact CA-O 3.35Å; V509-V521 HydrophobicContact CG1-CG2 4.25Å; V509-V521 HydrophobicContact CG2-CB 4.49Å; V509-V521 HydrophobicContact CG2-CG1 4.43Å; V509-V521 HydrophobicContact CG2-CG2 4.08Å |
| 510 | E | 93.2 | Very high | 88.2 | Confident | 61.5 Ų | 61.5 | 46.1 Ų | 46.1 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 154.3 | 178.4 | -60.2 | -170.5 | 174.7 | 0 | 0 | 111.2 | L512 A519 Q520 | E510-L512 VanDerWaalsContact C-N 3.26Å; E510-L512 PolarHBondContact O-N 2.93Å; E510-L512 VanDerWaalsContact O-N 3.12Å; E510-A519 VanDerWaalsContact O-CA 3.28Å; E510-A519 WeakPolarHBondContact O-CA 3.43Å; E510-Q520 PolarHBondContact N-O 3.2Å; E510-Q520 PolarHBondContact O-N 2.84Å |
| 511 | Y | 89.5 | Confident | 88.8 | Confident | 82.5 Ų | 82.5 | 46.8 Ų | 46.8 | 32% | 0.324 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 61.6 | 14.2 | 172.6 | -45.5 | -65.6 | 0 | 0 | 0 | 116.8 | D513 C514 R517 Q520 | Y511-D513 VanDerWaalsContact C-N 3.25Å; Y511-D513 PolarHBondContact O-N 2.88Å; Y511-C514 WeakPolarHBondContact O-CB 3.37Å; Y511-C514 PolarHBondContact O-N 3.24Å; Y511-R517 HydrophobicContact CD1-CB 4.4Å; Y511-R517 HydrophobicContact CG-CB 4.05Å; Y511-R517 PolarHBondContact OH-NH1 3.15Å; Y511-Q520 HydrophobicContact CD2-CG 4.45Å |
| 512 | L | 89.1 | Confident | 89.2 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34.6 | 178.5 | -127.3 | 116 | 0 | 0 | 0 | 113.9 | I268 I280 W404 D492 V509 E510 C514 A519 | I268-L512 HydrophobicContact CD1-CB 4.13Å; I268-L512 HydrophobicContact CD1-CD2 4.28Å; I280-L512 HydrophobicContact CG2-CD2 3.8Å; W404-L512 HydrophobicContact CH2-CD1 3.91Å; W404-L512 HydrophobicContact CH2-CD2 3.74Å; W404-L512 HydrophobicContact CZ3-CD1 4.05Å; W404-L512 HydrophobicContact CZ3-CD2 4.09Å; D492-L512 HydrophobicContact CB-CD1 4.15Å; V509-L512 HydrophobicContact CB-CD1 3.8Å; V509-L512 HydrophobicContact CB-CG 4.36Å; V509-L512 HydrophobicContact CG1-CB 4.16Å; V509-L512 HydrophobicContact CG1-CD1 3.87Å; V509-L512 HydrophobicContact CG1-CD2 4.3Å; V509-L512 HydrophobicContact CG1-CG 4.04Å; E510-L512 VanDerWaalsContact C-N 3.26Å; E510-L512 PolarHBondContact O-N 2.93Å; E510-L512 VanDerWaalsContact O-N 3.12Å; L512-C514 VanDerWaalsContact C-N 3.33Å; L512-A519 HydrophobicContact CD1-CB 3.82Å; L512-A519 HydrophobicContact CD2-CB 3.87Å; L512-A519 HydrophobicContact CG-CB 4.12Å |
| 513 | D | 86.2 | Confident | 89.4 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 2 | 177.7 | -59.8 | -76 | 0 | 0 | 0 | 113.1 | R254 K408 W487 Q488 Y511 | R254-D513 IonicContact CZ-OD1 2.97Å; R254-D513 IonicContact CZ-OD2 2.73Å; R254-D513 IonicContact NH1-OD1 2.78Å; R254-D513 PolarHBondContact NH1-OD1 3.39Å; R254-D513 IonicContact NH1-OD2 3.3Å; R254-D513 IonicContact NH2-OD1 2.98Å; R254-D513 PolarHBondContact NH2-OD1 3.36Å; R254-D513 IonicContact NH2-OD2 3.49Å; R254-D513 PolarHBondContact NH2-OD2 3.44Å; K408-D513 IonicContact NZ-OD2 2.72Å; K408-D513 PolarHBondContact NZ-OD2 2.94Å; W487-D513 PolarHBondContact NE1-OD1 3.45Å; W487-D513 PolarHBondContact NE1-OD2 3.49Å; Q488-D513 HydrophobicContact CG-CB 4.44Å; Y511-D513 VanDerWaalsContact C-N 3.25Å; Y511-D513 PolarHBondContact O-N 2.88Å |
| 514 | C | 81.3 | Confident | 89.4 | Confident | 37.5 Ų | 37.5 | 54.1 Ų | 54.1 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | trans | -102.3 | 103.8 | -172.5 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | Y511 L512 T516 R517 | Y511-C514 WeakPolarHBondContact O-CB 3.37Å; Y511-C514 PolarHBondContact O-N 3.24Å; L512-C514 VanDerWaalsContact C-N 3.33Å; C514-T516 PolarHBondContact O-N 3.03Å; C514-T516 VanDerWaalsContact O-N 3.13Å; C514-T516 PolarHBondContact SG-OG1 3.09Å; C514-R517 HydrophobicContact CB-CB 4.3Å; C514-R517 PolarHBondContact O-N 3.39Å; C514-R517 VanDerWaalsContact O-N 3.08Å | ||
| 515 | I | 72.5 | Confident | 89.3 | Confident | 126 Ų | 126 | 55.7 Ų | 55.7 | 65% | 0.646 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.7 | -178 | 0.5 | 167 | 0 | 0 | 0 | 113.9 | ||
| 516 | T | 78 | Confident | 89.2 | Confident | 107.5 Ų | 107.5 | 58.8 Ų | 58.8 | 66% | 0.66 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -5.4 | -177.4 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | C514 | C514-T516 PolarHBondContact O-N 3.03Å; C514-T516 VanDerWaalsContact O-N 3.13Å; C514-T516 PolarHBondContact SG-OG1 3.09Å |
| 517 | R | 82.7 | Confident | 89.1 | Confident | 147.5 Ų | 147.5 | 60.8 Ų | 60.8 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -128 | 141.7 | -177.6 | -72.8 | -177.1 | 174.9 | -126.7 | -2.2 | 110.1 | Y511 C514 | Y511-R517 HydrophobicContact CD1-CB 4.4Å; Y511-R517 HydrophobicContact CG-CB 4.05Å; Y511-R517 PolarHBondContact OH-NH1 3.15Å; C514-R517 HydrophobicContact CB-CB 4.3Å; C514-R517 PolarHBondContact O-N 3.39Å; C514-R517 VanDerWaalsContact O-N 3.08Å |
| 518 | Q | 85.3 | Confident | 88.9 | Confident | 166 Ų | 166 | 64.8 Ų | 64.8 | 78% | 0.776 | 34% | 0.339 | S | S | * | . | trans | -69.6 | 136.5 | 169.9 | -173.6 | 174.5 | 1.8 | 0 | 0 | 109.5 | Q520 | Q518-Q520 PolarHBondContact O-N 2.8Š| ||
| 519 | A | 90.6 | Very high | 88.5 | Confident | 11.5 Ų | 11.5 | 70.1 Ų | 70.1 | 10% | 0.095 | 37% | 0.366 | C | S | . | . | trans | -61.9 | 134.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V509 E510 L512 | V509-A519 HydrophobicContact CG1-CB 4.34Å; E510-A519 VanDerWaalsContact O-CA 3.28Å; E510-A519 WeakPolarHBondContact O-CA 3.43Å; L512-A519 HydrophobicContact CD1-CB 3.82Å; L512-A519 HydrophobicContact CD2-CB 3.87Å; L512-A519 HydrophobicContact CG-CB 4.12Å | ||
| 520 | Q | 92.2 | Very high | 88.3 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.4 | -179.2 | -123.4 | -178.6 | -21.5 | 0 | 0 | 110.1 | V509 E510 Y511 Q518 | V509-Q520 CarbonylContact C-O 3.57Å; V509-Q520 VanDerWaalsContact CA-O 3.31Å; V509-Q520 WeakPolarHBondContact CA-O 3.35Å; E510-Q520 PolarHBondContact N-O 3.2Å; E510-Q520 PolarHBondContact O-N 2.84Å; Y511-Q520 HydrophobicContact CD2-CG 4.45Å; Q518-Q520 PolarHBondContact O-N 2.8Å |
| 521 | V | 93.2 | Very high | 88.2 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.2 | 172.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | A377 I379 W507 T508 V509 | A377-V521 HydrophobicContact CB-CG2 3.58Å; I379-V521 HydrophobicContact CG1-CG1 4.05Å; I379-V521 HydrophobicContact CG1-CG2 4.35Å; W507-V521 HydrophobicContact CB-CG1 4.24Å; W507-V521 HydrophobicContact CG-CG1 4.34Å; T508-V521 WeakPolarHBondContact O-CA 3.38Å; V509-V521 HydrophobicContact CG1-CG2 4.25Å; V509-V521 HydrophobicContact CG2-CB 4.49Å; V509-V521 HydrophobicContact CG2-CG1 4.43Å; V509-V521 HydrophobicContact CG2-CG2 4.08Å |
| 522 | S | 93.2 | Very high | 88.1 | Confident | 46.5 Ų | 46.5 | 66.5 Ų | 66.5 | 33% | 0.325 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.8 | 172.5 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | W507 T508 A524 | W507-S522 CarbonylContact C-O 3.51Å; W507-S522 VanDerWaalsContact CA-O 3.25Å; W507-S522 WeakPolarHBondContact CA-O 3.32Å; W507-S522 WeakPolarHBondContact CB-O 3.48Å; T508-S522 PolarHBondContact N-O 2.95Å; T508-S522 PolarHBondContact O-N 2.84Å; S522-A524 PolarHBondContact O-N 2.98Å |
| 523 | F | 92.9 | Very high | 87.8 | Confident | 72.5 Ų | 72.5 | 69.4 Ų | 69.4 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 123.2 | 169.1 | 179.6 | -103.2 | 0 | 0 | 0 | 109.4 | D384 C385 L505 W507 S525 R526 | D384-F523 HydrophobicContact CB-CB 4.38Å; C385-F523 HydrophobicContact CB-CD2 4.16Å; C385-F523 HydrophobicContact CB-CE1 4.26Å; C385-F523 HydrophobicContact CB-CE2 3.83Å; C385-F523 HydrophobicContact CB-CZ 3.88Å; C385-F523 WeakPolarHBondContact SG-CZ 3.5Å; L505-F523 HydrophobicContact CB-CE2 4.38Å; L505-F523 HydrophobicContact CD2-CE2 4.19Å; L505-F523 HydrophobicContact CD2-CZ 4.32Å; W507-F523 AromaticContact CD1-CD2 3.95Å; W507-F523 HydrophobicContact CD2-CD2 4.31Å; W507-F523 AromaticContact CE2-CD2 3.81Å; W507-F523 HydrophobicContact CG-CD2 4.44Å; W507-F523 HydrophobicContact CZ2-CD2 4.22Å; W507-F523 HydrophobicContact CZ2-CE2 4.33Å; W507-F523 AromaticContact NE1-CD2 3.69Å; F523-S525 WeakPolarHBondContact CE2-O 3.21Å; F523-S525 WeakPolarHBondContact CZ-O 3.43Å; F523-R526 HydrophobicContact CZ-CB 4.03Å |
| 524 | A | 91.4 | Very high | 87.6 | Confident | 55.5 Ų | 55.5 | 69.1 Ų | 69.1 | 46% | 0.459 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -49.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I506 T508 S522 | I506-A524 HydrophobicContact CG2-CB 4.29Å; I506-A524 WeakPolarHBondContact O-CB 3.46Å; I506-A524 PolarHBondContact O-N 2.99Å; T508-A524 HydrophobicContact CG2-CB 4.07Å; S522-A524 PolarHBondContact O-N 2.98Å |
| 525 | S | 91.9 | Very high | 87.9 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 163.1 | -179.6 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | I506 F523 | I506-S525 PolarHBondContact N-O 3.1Å; I506-S525 PolarHBondContact O-N 3.14Å; F523-S525 WeakPolarHBondContact CE2-O 3.21Å; F523-S525 WeakPolarHBondContact CZ-O 3.43Å |
| 526 | R | 90.9 | Very high | 88.5 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.7 | 168.5 | 176.2 | 173.9 | 177.2 | -157.4 | 5.2 | 109.6 | L387 D501 S503 L504 L505 F523 P528 | L387-R526 VanDerWaalsContact CB-NH1 3.31Å; L387-R526 PolarHBondContact O-NH1 3.36Å; D501-R526 IonicContact OD2-CZ 3.67Å; D501-R526 IonicContact OD2-NE 3.16Å; D501-R526 IonicContact OD2-NH2 3.35Å; D501-R526 PolarHBondContact OD2-NH2 3.13Å; S503-R526 PolarHBondContact OG-NE 2.87Å; S503-R526 PolarHBondContact OG-NH2 2.81Å; L504-R526 CarbonylContact O-C 3.6Å; L504-R526 WeakPolarHBondContact O-CA 3.36Å; L505-R526 HydrophobicContact CD2-CB 3.94Å; L505-R526 HydrophobicContact CD2-CG 3.71Å; F523-R526 HydrophobicContact CZ-CB 4.03Å; R526-P528 WeakPolarHBondContact O-CD 3.48Å |
| 527 | L | 92.1 | Very high | 88.7 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 100.3 | 164.3 | -60.6 | 175.8 | 0 | 0 | 0 | 108 | S503 L504 A530 I605 | S503-L527 CarbonylContact C-O 3.52Å; S503-L527 VanDerWaalsContact CA-O 3.26Å; S503-L527 WeakPolarHBondContact CA-O 3.14Å; S503-L527 WeakPolarHBondContact CB-O 3.18Å; L504-L527 HydrophobicContact CB-CB 4.25Å; L504-L527 HydrophobicContact CD2-CD1 4.2Å; L504-L527 PolarHBondContact N-O 3Å; L504-L527 PolarHBondContact O-N 2.92Å; L527-A530 HydrophobicContact CB-CB 4.09Å; L527-A530 WeakPolarHBondContact O-CB 3.44Å; L527-I605 HydrophobicContact CD1-CG2 4.38Å |
| 528 | P | 90 | Very high | 88.9 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 141.9 | -176.9 | 28.9 | -34.6 | 0 | 0 | 0 | 111.2 | S503 R526 A530 | S503-P528 WeakPolarHBondContact OG-CA 3.35Å; R526-P528 WeakPolarHBondContact O-CD 3.48Å; P528-A530 PolarHBondContact O-N 2.95Å; P528-A530 VanDerWaalsContact O-N 3.09Å |
| 529 | L | 86.2 | Confident | 89 | Confident | 132.5 Ų | 132.5 | 45 Ų | 45 | 69% | 0.694 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 29.8 | 178.7 | -52.4 | 174 | 0 | 0 | 0 | 113.8 | D501 F531 | D501-L529 HydrophobicContact CB-CD2 4.46Å; D501-L529 VanDerWaalsContact O-CD2 3.29Å; D501-L529 WeakPolarHBondContact O-CD2 3.39Å; L529-F531 PolarHBondContact O-N 3.02Å |
| 530 | A | 91.6 | Very high | 89 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 21% | 0.207 | 27% | 0.27 | C | S | . | . | trans | -61.8 | -32.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | G502 L504 L527 P528 V608 | G502-A530 PolarHBondContact O-N 3.2Å; G502-A530 VanDerWaalsContact O-N 3.09Å; L504-A530 HydrophobicContact CB-CB 3.89Å; L527-A530 HydrophobicContact CB-CB 4.09Å; L527-A530 WeakPolarHBondContact O-CB 3.44Å; P528-A530 PolarHBondContact O-N 2.95Å; P528-A530 VanDerWaalsContact O-N 3.09Å; A530-V608 HydrophobicContact CB-CG2 4.39Å | ||
| 531 | F | 91.7 | Very high | 88.7 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.022 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -112.6 | 143.9 | 173 | -63.4 | -94.1 | 0 | 0 | 0 | 110.1 | I497 G502 L504 L529 L580 T582 W592 V608 | I497-F531 HydrophobicContact CB-CD2 4.47Å; I497-F531 HydrophobicContact CD1-CD1 4.24Å; I497-F531 HydrophobicContact CD1-CD2 4.03Å; I497-F531 HydrophobicContact CD1-CE1 3.8Å; I497-F531 HydrophobicContact CD1-CE2 3.59Å; I497-F531 HydrophobicContact CD1-CG 4.34Å; I497-F531 HydrophobicContact CD1-CZ 3.46Å; I497-F531 VanDerWaalsContact CD1-CZ 3.46Å; I497-F531 HydrophobicContact CG1-CD2 4.01Å; I497-F531 HydrophobicContact CG1-CE2 3.62Å; I497-F531 HydrophobicContact CG1-CZ 4.01Å; I497-F531 HydrophobicContact CG2-CB 4.4Å; I497-F531 HydrophobicContact CG2-CD2 3.74Å; I497-F531 HydrophobicContact CG2-CE2 4.27Å; I497-F531 HydrophobicContact CG2-CG 4.09Å; G502-F531 PolarHBondContact O-N 3.22Å; L504-F531 HydrophobicContact CB-CE2 4.28Å; L504-F531 HydrophobicContact CD1-CE2 4.33Å; L529-F531 PolarHBondContact O-N 3.02Å; F531-L580 HydrophobicContact CE1-CD2 4.34Å; F531-L580 HydrophobicContact CZ-CD2 3.9Å; F531-T582 HydrophobicContact CE1-CG2 4.4Å; F531-W592 AromaticContact CD1-CD2 3.92Å; F531-W592 HydrophobicContact CD1-CD2 3.92Å; F531-W592 AromaticContact CD1-CE2 3.75Å; F531-W592 AromaticContact CD1-CE3 3.97Å; F531-W592 HydrophobicContact CD1-CE3 4.04Å; F531-W592 AromaticContact CD1-CH2 3.89Å; F531-W592 HydrophobicContact CD1-CH2 3.95Å; F531-W592 AromaticContact CD1-CZ2 3.8Å; F531-W592 HydrophobicContact CD1-CZ2 3.8Å; F531-W592 AromaticContact CD1-CZ3 3.95Å; F531-W592 HydrophobicContact CD1-CZ3 4.04Å; F531-W592 AromaticContact CE1-CD2 3.57Å; F531-W592 HydrophobicContact CE1-CD2 3.57Å; F531-W592 AromaticContact CE1-CE2 3.7Å; F531-W592 AromaticContact CE1-CE3 3.87Å; F531-W592 HydrophobicContact CE1-CE3 3.96Å; F531-W592 AromaticContact CE1-CG 3.83Å; F531-W592 HydrophobicContact CE1-CG 3.83Å; F531-W592 HydrophobicContact CE1-CZ2 4.24Å; F531-W592 HydrophobicContact CE1-CZ3 4.34Å; F531-W592 AromaticContact CE1-NE1 3.92Å; F531-V608 HydrophobicContact CE1-CG1 4.05Å; F531-V608 HydrophobicContact CE2-CG1 4.26Å; F531-V608 HydrophobicContact CE2-CG2 4.33Å; F531-V608 HydrophobicContact CZ-CG1 3.8Å; F531-V608 HydrophobicContact CZ-CG2 4.35Å |
| 532 | P | 88 | Confident | 88.3 | Confident | 37.5 Ų | 37.5 | 46.3 Ų | 46.3 | 24% | 0.244 | 26% | 0.263 | C | S | . | . | trans | -58.9 | 142.1 | 172.7 | -22.7 | 33.9 | 0 | 0 | 0 | 111.9 | N534 D535 A536 W592 A802 | P532-N534 PolarHBondContact O-N 2.88Å; P532-N534 VanDerWaalsContact O-N 3.11Å; P532-D535 HydrophobicContact CB-CB 4.42Å; P532-D535 WeakPolarHBondContact CB-OD2 3.29Å; P532-D535 VanDerWaalsContact CG-OD2 3.27Å; P532-D535 WeakPolarHBondContact CG-OD2 3.31Å; P532-D535 WeakPolarHBondContact O-CA 3.45Å; P532-D535 WeakPolarHBondContact O-CB 3.45Å; P532-D535 PolarHBondContact O-N 3.13Å; P532-A536 PolarHBondContact O-N 3.02Å; P532-W592 HydrophobicContact CG-CH2 4.32Å; P532-A802 HydrophobicContact CB-CB 4.08Å; P532-A802 HydrophobicContact CG-CB 3.96Å | ||
| 533 | L | 82.1 | Confident | 88.2 | Confident | 77.5 Ų | 77.5 | 44.8 Ų | 44.8 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -50.4 | -41.5 | -176.6 | -177.3 | 63.3 | 0 | 0 | 0 | 113.6 | V500 A536 A537 | V500-L533 WeakPolarHBondContact O-CD1 3.39Å; L533-A536 PolarHBondContact O-N 3.32Å; L533-A537 VanDerWaalsContact O-CB 3.3Å; L533-A537 WeakPolarHBondContact O-CB 3.44Å; L533-A537 PolarHBondContact O-N 2.93Å |
| 534 | N | 81.8 | Confident | 88 | Confident | 25.5 Ų | 25.5 | 42.9 Ų | 42.9 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.7 | -31.3 | -178.9 | -61 | -45.8 | 0 | 0 | 0 | 112.9 | P532 S538 Q799 T801 P804 | P532-N534 PolarHBondContact O-N 2.88Å; P532-N534 VanDerWaalsContact O-N 3.11Å; N534-S538 WeakPolarHBondContact O-CB 3.29Å; N534-S538 PolarHBondContact O-N 3.36Å; N534-S538 PolarHBondContact O-OG 3.22Å; N534-Q799 PolarHBondContact ND2-OE1 3.36Å; N534-Q799 PolarHBondContact OD1-OE1 2.76Å; N534-T801 PolarHBondContact ND2-O 3.09Å; N534-P804 WeakPolarHBondContact ND2-CG 3.4Å |
| 535 | D | 87 | Confident | 88 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.4 | -40.4 | 173.1 | -72.7 | -53.1 | 0 | 0 | 0 | 109.8 | P532 S538 L539 H584 N590 W592 R613 | P532-D535 HydrophobicContact CB-CB 4.42Å; P532-D535 WeakPolarHBondContact CB-OD2 3.29Å; P532-D535 VanDerWaalsContact CG-OD2 3.27Å; P532-D535 WeakPolarHBondContact CG-OD2 3.31Å; P532-D535 WeakPolarHBondContact O-CA 3.45Å; P532-D535 WeakPolarHBondContact O-CB 3.45Å; P532-D535 PolarHBondContact O-N 3.13Å; D535-S538 PolarHBondContact O-OG 2.9Å; D535-L539 WeakPolarHBondContact O-CB 3.46Å; D535-L539 PolarHBondContact O-N 2.87Å; D535-H584 PolarHBondContact O-CE1 3.13Å; D535-H584 PolarHBondContact O-ND1 3Å; D535-H584 VanDerWaalsContact O-ND1 3.11Å; D535-H584 IonicContact OD1-CE1 2.84Å; D535-N590 PolarHBondContact OD1-ND2 3.13Å; D535-W592 HydrophobicContact CB-CH2 4.39Å; D535-W592 HydrophobicContact CB-CZ2 4.21Å; D535-R613 IonicContact OD1-NH1 2.82Å; D535-R613 PolarHBondContact OD1-NH1 3.18Å |
| 536 | A | 86.7 | Confident | 87.7 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I497 P499 G502 P532 L533 S538 L539 | I497-A536 HydrophobicContact CG2-CB 4.48Å; P499-A536 CarbonylContact O-C 3.57Å; G502-A536 VanDerWaalsContact CA-CB 3.5Å; P532-A536 PolarHBondContact O-N 3.02Å; L533-A536 PolarHBondContact O-N 3.32Å; A536-S538 VanDerWaalsContact C-N 3.31Å; A536-S538 PolarHBondContact O-N 3.2Å; A536-L539 VanDerWaalsContact O-CB 3.24Å; A536-L539 WeakPolarHBondContact O-CB 3.38Å; A536-L539 PolarHBondContact O-N 3.02Å |
| 537 | A | 82.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -23.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P499 L533 | P499-A537 PolarHBondContact O-N 2.98Å; L533-A537 VanDerWaalsContact O-CB 3.3Å; L533-A537 WeakPolarHBondContact O-CB 3.44Å; L533-A537 PolarHBondContact O-N 2.93Å |
| 538 | S | 85.7 | Confident | 86.1 | Confident | 15.5 Ų | 15.5 | 40.4 Ų | 40.4 | 11% | 0.108 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.8 | 178.9 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | N534 D535 A536 H584 Q585 S800 | N534-S538 WeakPolarHBondContact O-CB 3.29Å; N534-S538 PolarHBondContact O-N 3.36Å; N534-S538 PolarHBondContact O-OG 3.22Å; D535-S538 PolarHBondContact O-OG 2.9Å; A536-S538 VanDerWaalsContact C-N 3.31Å; A536-S538 PolarHBondContact O-N 3.2Å; S538-H584 CarbonylContact O-C 3.51Å; S538-H584 WeakPolarHBondContact O-CA 3.3Å; S538-H584 PolarHBondContact OG-ND1 3.1Å; S538-H584 VanDerWaalsContact OG-ND1 3.07Å; S538-Q585 WeakPolarHBondContact O-CG 3.47Å; S538-Q585 PolarHBondContact O-N 2.79Å; S538-S800 VanDerWaalsContact OG-CB 3.23Å; S538-S800 WeakPolarHBondContact OG-CB 3.34Å |
| 539 | L | 88.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 133.7 | -173 | -171.4 | 66.8 | 0 | 0 | 0 | 112.1 | I497 D535 A536 L543 T582 | I497-L539 HydrophobicContact CB-CD2 3.8Å; I497-L539 HydrophobicContact CD1-CD2 3.86Å; I497-L539 HydrophobicContact CG1-CD2 4.38Å; I497-L539 HydrophobicContact CG2-CD2 3.96Å; D535-L539 WeakPolarHBondContact O-CB 3.46Å; D535-L539 PolarHBondContact O-N 2.87Å; A536-L539 VanDerWaalsContact O-CB 3.24Å; A536-L539 WeakPolarHBondContact O-CB 3.38Å; A536-L539 PolarHBondContact O-N 3.02Å; L539-L543 HydrophobicContact CD1-CD2 3.9Å; L539-L543 HydrophobicContact CD2-CD2 4.25Å; L539-L543 HydrophobicContact CG-CD2 4.3Å; L539-T582 HydrophobicContact CD1-CG2 3.92Å |
| 540 | H | 88.7 | Confident | 83.1 | Confident | 64.5 Ų | 64.5 | 33.3 Ų | 33.3 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | trans | -85.4 | 151.3 | 166.7 | -72.1 | -66.2 | 0 | 0 | 0 | 111.6 | N542 L543 T583 H584 Q585 | H540-N542 VanDerWaalsContact C-N 3.25Å; H540-N542 PolarHBondContact O-N 3.07Å; H540-N542 VanDerWaalsContact O-N 3.13Å; H540-L543 WeakPolarHBondContact O-CD2 3.33Å; H540-T583 WeakPolarHBondContact CB-O 3.32Å; H540-T583 WeakPolarHBondContact CB-OG1 3.19Å; H540-T583 PolarHBondContact CD2-O 3.45Å; H540-T583 PolarHBondContact N-O 2.82Å; H540-H584 VanDerWaalsContact CD2-C 3.47Å; H540-H584 VanDerWaalsContact NE2-C 3.26Å; H540-H584 PolarHBondContact NE2-O 2.87Å; H540-Q585 WeakPolarHBondContact NE2-CA 3.41Å; H540-Q585 PolarHBondContact NE2-N 2.98Å | ||
| 541 | H | 86.1 | Confident | 81 | Confident | 44.5 Ų | 44.5 | 37.2 Ų | 37.2 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -68.6 | -11.1 | -178.8 | -50.5 | 19.3 | 0 | 0 | 0 | 115 | I249 T399 A401 H403 L543 | I249-H541 WeakPolarHBondContact CG2-ND1 3.39Å; T399-H541 PolarHBondContact N-NE2 3.21Å; T399-H541 PolarHBondContact O-CD2 3.4Å; T399-H541 VanDerWaalsContact O-CD2 3.28Å; T399-H541 PolarHBondContact O-NE2 3.17Å; T399-H541 VanDerWaalsContact O-NE2 3.17Å; T399-H541 PolarHBondContact OG1-CD2 3.29Å; T399-H541 PolarHBondContact OG1-NE2 2.94Å; A401-H541 HydrophobicContact CB-CB 4.06Å; H403-H541 PolarHBondContact CE1-O 2.75Å; H403-H541 PolarHBondContact NE2-O 2.92Å; H541-L543 PolarHBondContact O-N 3.04Å |
| 542 | N | 85.1 | Confident | 78.8 | Confident | 75 Ų | 75 | 39.8 Ų | 39.8 | 40% | 0.401 | 23% | 0.229 | S | C | . | . | trans | -94.8 | 101.8 | 179.5 | -170.2 | 17.8 | 0 | 0 | 0 | 110 | E15 F18 R200 H540 T583 | E15-N542 PolarHBondContact O-ND2 3.02Å; F18-N542 HydrophobicContact CE1-CB 4.47Å; F18-N542 WeakPolarHBondContact CZ-O 3.44Å; R200-N542 PolarHBondContact NH2-OD1 3.27Å; H540-N542 VanDerWaalsContact C-N 3.25Å; H540-N542 PolarHBondContact O-N 3.07Å; H540-N542 VanDerWaalsContact O-N 3.13Å; N542-T583 PolarHBondContact O-OG1 2.82Å | ||
| 543 | L | 91.2 | Very high | 77 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | trans | -104.6 | 149.9 | 176.7 | -52.3 | -171.1 | 0 | 0 | 0 | 110.5 | H403 F495 I497 L539 H540 H541 L580 T582 | H403-L543 VanDerWaalsContact CD2-CD1 3.47Å; H403-L543 WeakPolarHBondContact CD2-CD1 3.4Å; F495-L543 HydrophobicContact CE2-CD1 4.08Å; I497-L543 HydrophobicContact CD1-CD1 4.12Å; L539-L543 HydrophobicContact CD1-CD2 3.9Å; L539-L543 HydrophobicContact CD2-CD2 4.25Å; L539-L543 HydrophobicContact CG-CD2 4.3Å; H540-L543 WeakPolarHBondContact O-CD2 3.33Å; H541-L543 PolarHBondContact O-N 3.04Å; L543-L580 HydrophobicContact CB-CD1 4.13Å; L543-L580 HydrophobicContact CD1-CD1 4.39Å; L543-T582 HydrophobicContact CD2-CG2 4.08Å | ||
| 544 | A | 89.9 | Confident | 75.2 | Confident | 32.5 Ų | 32.5 | 41 Ų | 41 | 27% | 0.269 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F18 V20 L581 | F18-A544 HydrophobicContact CE2-CB 3.95Å; F18-A544 HydrophobicContact CZ-CB 4.38Å; V20-A544 HydrophobicContact CG2-CB 3.92Å; A544-L581 HydrophobicContact CB-CB 4.23Å; A544-L581 HydrophobicContact CB-CD1 4.3Å; A544-L581 PolarHBondContact N-O 3.05Å; A544-L581 VanDerWaalsContact N-O 3.09Å; A544-L581 WeakPolarHBondContact O-CB 3.32Å; A544-L581 PolarHBondContact O-N 3.27Å |
| 545 | L | 90.1 | Very high | 73.4 | Confident | 36.5 Ų | 36.5 | 44.9 Ų | 44.9 | 19% | 0.191 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.2 | 173 | -116.8 | 120.7 | 0 | 0 | 0 | 110.5 | W404 L405 F495 V578 Y579 L580 L594 | W404-L545 VanDerWaalsContact O-CD1 3.24Å; W404-L545 WeakPolarHBondContact O-CD1 3.42Å; L405-L545 HydrophobicContact CD1-CD1 4.12Å; L405-L545 HydrophobicContact CD1-CD2 4.14Å; L405-L545 WeakPolarHBondContact O-CD2 3.23Å; F495-L545 HydrophobicContact CE1-CD1 3.87Å; F495-L545 HydrophobicContact CZ-CD1 4.34Å; L545-V578 HydrophobicContact CD1-CG1 3.56Å; L545-V578 HydrophobicContact CD2-CG1 3.96Å; L545-V578 HydrophobicContact CG-CG1 3.73Å; L545-Y579 CarbonylContact C-O 3.54Å; L545-Y579 WeakPolarHBondContact CA-O 3.37Å; L545-L580 HydrophobicContact CD1-CB 4.5Å; L545-L580 HydrophobicContact CD1-CD1 4.2Å; L545-L580 HydrophobicContact CD2-CB 4.2Å; L545-L580 HydrophobicContact CD2-CD1 3.99Å; L545-L580 HydrophobicContact CG-CD1 4.29Å; L545-L594 HydrophobicContact CD1-CD1 3.74Å; L545-L594 HydrophobicContact CD2-CD1 3.81Å |
| 546 | L | 85.7 | Confident | 71.4 | Confident | 43.5 Ų | 43.5 | 48.9 Ų | 48.9 | 23% | 0.228 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.5 | 178.5 | -65 | 144.5 | 0 | 0 | 0 | 109.2 | V20 N27 Y579 L581 L591 | V20-L546 HydrophobicContact CB-CD2 4.35Å; V20-L546 HydrophobicContact CG1-CD2 3.53Å; V20-L546 HydrophobicContact CG2-CD2 3.82Å; V20-L546 HydrophobicContact CG2-CG 4.34Å; N27-L546 HydrophobicContact CB-CD2 3.76Å; L546-Y579 HydrophobicContact CB-CD2 4.43Å; L546-Y579 PolarHBondContact N-O 3.25Å; L546-Y579 PolarHBondContact O-N 3.15Å; L546-L581 HydrophobicContact CD1-CB 3.76Å; L546-L581 HydrophobicContact CD1-CD1 3.92Å; L546-L581 HydrophobicContact CD1-CD2 3.8Å; L546-L581 HydrophobicContact CD1-CG 3.74Å; L546-L581 HydrophobicContact CG-CD1 4.38Å; L546-L581 HydrophobicContact CG-CG 4.36Å; L546-L591 HydrophobicContact CD1-CD1 4.05Å |
| 547 | N | 81.9 | Confident | 69.3 | Low | 31.5 Ų | 31.5 | 52 Ų | 52 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.4 | 169.1 | -176.4 | 3 | 0 | 0 | 0 | 109.6 | N27 L410 K549 K577 | N27-N547 PolarHBondContact ND2-N 2.97Å; N27-N547 PolarHBondContact ND2-O 2.7Å; L410-N547 HydrophobicContact CD2-CB 3.85Å; N547-K549 VanDerWaalsContact C-N 3.34Å; N547-K549 PolarHBondContact O-N 2.89Å; N547-K549 PolarHBondContact OD1-N 2.86Å; N547-K577 PolarHBondContact OD1-O 2.89Å |
| 548 | S | 67.8 | Low | 67.3 | Low | 36 Ų | 36 | 57.6 Ų | 57.6 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 32.7 | 176.2 | 113 | 0 | 0 | 0 | 0 | 111.7 | G550 K577 Y579 | S548-G550 PolarHBondContact O-N 3.13Å; S548-G550 VanDerWaalsContact O-N 3.11Å; S548-K577 PolarHBondContact N-O 3.08Å; S548-K577 PolarHBondContact O-N 3.29Å; S548-K577 WeakPolarHBondContact OG-CB 3.45Å; S548-Y579 VanDerWaalsContact CB-CE2 3.44Å |
| 549 | K | 61.5 | Low | 65 | Low | 40.5 Ų | 40.5 | 62.5 Ų | 62.5 | 18% | 0.176 | 33% | 0.334 | C | S | . | . | trans | -65.6 | 56.1 | 175.8 | -66.1 | -170.8 | -179.4 | -177.1 | 0 | 111.3 | E414 E417 N547 Q551 S552 N576 Y602 | E414-K549 IonicContact OE1-NZ 3.92Å; E414-K549 PolarHBondContact OE1-NZ 2.89Å; E414-K549 IonicContact OE2-NZ 3.32Å; E414-K549 PolarHBondContact OE2-NZ 2.86Å; E417-K549 IonicContact OE1-NZ 3.61Å; E417-K549 PolarHBondContact OE1-NZ 3.16Å; E417-K549 IonicContact OE2-NZ 3.48Å; E417-K549 PolarHBondContact OE2-NZ 2.7Å; N547-K549 VanDerWaalsContact C-N 3.34Å; N547-K549 PolarHBondContact O-N 2.89Å; N547-K549 PolarHBondContact OD1-N 2.86Å; K549-Q551 PolarHBondContact O-N 3.09Å; K549-S552 PolarHBondContact O-N 3.5Å; K549-S552 PolarHBondContact O-OG 3.45Å; K549-N576 VanDerWaalsContact CE-OD1 3.27Å; K549-N576 WeakPolarHBondContact CE-OD1 3.35Å; K549-N576 PolarHBondContact NZ-OD1 3.26Å; K549-Y602 PolarHBondContact NZ-OH 3.29Å | ||
| 550 | G | 51.5 | Low | 62.4 | Low | 30 Ų | 30 | 67.6 Ų | 67.6 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -56.8 | 58.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S548 S552 W554 | S548-G550 PolarHBondContact O-N 3.13Å; S548-G550 VanDerWaalsContact O-N 3.11Å; G550-S552 PolarHBondContact O-N 3.34Å; G550-S552 PolarHBondContact O-OG 2.95Å; G550-W554 WeakPolarHBondContact O-CZ2 3.45Å; G550-W554 PolarHBondContact O-NE1 3.24Å |
| 551 | Q | 47.5 | Very low | 60 | Low | 107.5 Ų | 107.5 | 74 Ų | 74 | 50% | 0.502 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -77.1 | -8.4 | -178 | -82.9 | 167.2 | -27.2 | 0 | 0 | 115.7 | S97 K549 Y553 W554 N555 | S97-Q551 PolarHBondContact O-NE2 3.47Å; S97-Q551 PolarHBondContact O-OE1 2.89Å; S97-Q551 VanDerWaalsContact O-OE1 3.06Å; K549-Q551 PolarHBondContact O-N 3.09Å; Q551-Y553 PolarHBondContact O-N 3.25Å; Q551-Y553 VanDerWaalsContact O-N 3.07Å; Q551-W554 PolarHBondContact O-N 2.63Å; Q551-N555 PolarHBondContact O-N 3.25Å |
| 552 | S | 46.7 | Very low | 57.4 | Low | 59 Ų | 59 | 78 Ų | 78 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -31.5 | -175.5 | 46 | 0 | 0 | 0 | 0 | 113.4 | K549 G550 N555 | K549-S552 PolarHBondContact O-N 3.5Å; K549-S552 PolarHBondContact O-OG 3.45Å; G550-S552 PolarHBondContact O-N 3.34Å; G550-S552 PolarHBondContact O-OG 2.95Å; S552-N555 PolarHBondContact O-N 3.46Å |
| 553 | Y | 48.9 | Very low | 54.8 | Low | 50 Ų | 50 | 81.1 Ų | 81.1 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -76.1 | -26.9 | -178.3 | -62.3 | -74.6 | 0 | 0 | 0 | 114.4 | E417 V421 Q551 N555 V556 T557 | E417-Y553 HydrophobicContact CB-CD2 3.91Å; E417-Y553 HydrophobicContact CB-CE2 3.98Å; E417-Y553 HydrophobicContact CB-CG 4.29Å; E417-Y553 HydrophobicContact CG-CD2 4.36Å; E417-Y553 WeakPolarHBondContact OE2-CD2 3.46Å; E417-Y553 WeakPolarHBondContact OE2-CE2 3.37Å; V421-Y553 HydrophobicContact CG2-CD1 4.04Å; V421-Y553 HydrophobicContact CG2-CE1 4.17Å; Q551-Y553 PolarHBondContact O-N 3.25Å; Q551-Y553 VanDerWaalsContact O-N 3.07Å; Y553-N555 PolarHBondContact O-N 3.3Å; Y553-V556 PolarHBondContact O-N 2.91Å; Y553-T557 PolarHBondContact O-N 2.87Å |
| 554 | W | 45 | Very low | 52 | Low | 90 Ų | 90 | 89.3 Ų | 89.3 | 34% | 0.341 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -77.4 | -35.1 | 178 | -54.5 | 123.3 | 0 | 0 | 0 | 112.2 | D24 P318 G550 Q551 V556 T557 H558 | D24-W554 VanDerWaalsContact O-CE2 3.23Å; D24-W554 WeakPolarHBondContact O-CZ2 3.27Å; D24-W554 PolarHBondContact O-NE1 3.45Å; P318-W554 HydrophobicContact CB-CE3 4.4Å; P318-W554 HydrophobicContact CB-CH2 4.01Å; P318-W554 HydrophobicContact CB-CZ3 3.49Å; P318-W554 VanDerWaalsContact CB-CZ3 3.49Å; P318-W554 HydrophobicContact CG-CE3 4.36Å; P318-W554 HydrophobicContact CG-CH2 4.33Å; P318-W554 HydrophobicContact CG-CZ3 3.81Å; G550-W554 WeakPolarHBondContact O-CZ2 3.45Å; G550-W554 PolarHBondContact O-NE1 3.24Å; Q551-W554 PolarHBondContact O-N 2.63Å; W554-V556 PolarHBondContact O-N 2.9Å; W554-V556 VanDerWaalsContact O-N 3.11Å; W554-T557 PolarHBondContact O-N 3.41Å; W554-T557 VanDerWaalsContact O-N 3.16Å; W554-T557 PolarHBondContact O-OG1 3.33Å; W554-H558 PolarHBondContact O-CD2 3.28Å; W554-H558 PolarHBondContact O-N 2.96Å; W554-H558 VanDerWaalsContact O-N 3.13Å |
| 555 | N | 43.2 | Very low | 49.2 | Very low | 108 Ų | 108 | 91.4 Ų | 91.4 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.7 | -31.2 | -177.9 | -69.4 | -5.7 | 0 | 0 | 0 | 112.7 | Q551 S552 Y553 T557 H558 N559 | Q551-N555 PolarHBondContact O-N 3.25Å; S552-N555 PolarHBondContact O-N 3.46Å; Y553-N555 PolarHBondContact O-N 3.3Å; N555-T557 VanDerWaalsContact C-N 3.25Å; N555-T557 PolarHBondContact O-N 3.05Å; N555-H558 PolarHBondContact O-N 2.93Å; N555-H558 VanDerWaalsContact O-N 3.16Å; N555-N559 WeakPolarHBondContact O-CB 3.23Å; N555-N559 PolarHBondContact O-N 2.96Å; N555-N559 VanDerWaalsContact O-N 3.09Å |
| 556 | V | 45.2 | Very low | 46.2 | Very low | 92 Ų | 92 | 94.7 Ų | 94.7 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.5 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | Y553 W554 | Y553-V556 PolarHBondContact O-N 2.91Å; W554-V556 PolarHBondContact O-N 2.9Å; W554-V556 VanDerWaalsContact O-N 3.11Å |
| 557 | T | 42.9 | Very low | 43.6 | Very low | 66 Ų | 66 | 97.6 Ų | 97.6 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -17.8 | 179.8 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | L424 Y553 W554 N555 | L424-T557 HydrophobicContact CD1-CG2 4.49Å; Y553-T557 PolarHBondContact O-N 2.87Å; W554-T557 PolarHBondContact O-N 3.41Å; W554-T557 VanDerWaalsContact O-N 3.16Å; W554-T557 PolarHBondContact O-OG1 3.33Å; N555-T557 VanDerWaalsContact C-N 3.25Å; N555-T557 PolarHBondContact O-N 3.05Å |
| 558 | H | 40.7 | Very low | 41.1 | Very low | 143.5 Ų | 143.5 | 105.2 Ų | 105.2 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -19.2 | -177.5 | -85.5 | -77.3 | 0 | 0 | 0 | 114.3 | W554 N555 | W554-H558 PolarHBondContact O-CD2 3.28Å; W554-H558 PolarHBondContact O-N 2.96Å; W554-H558 VanDerWaalsContact O-N 3.13Å; N555-H558 PolarHBondContact O-N 2.93Å; N555-H558 VanDerWaalsContact O-N 3.16Å |
| 559 | N | 35.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | trans | -97 | 16.3 | -171.7 | -122.7 | 36 | 0 | 0 | 0 | 115.6 | N555 Y561 D562 | N555-N559 WeakPolarHBondContact O-CB 3.23Å; N555-N559 PolarHBondContact O-N 2.96Å; N555-N559 VanDerWaalsContact O-N 3.09Å; N559-Y561 PolarHBondContact O-N 3.29Å; N559-Y561 VanDerWaalsContact O-N 3.17Å; N559-D562 PolarHBondContact O-N 2.9Å | ||
| 560 | E | 36 | Very low | 38 | Very low | 134.5 Ų | 134.5 | 112.7 Ų | 112.7 | 63% | 0.629 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 12.7 | -179.4 | -104.7 | -171.4 | 174.6 | 0 | 0 | 115 | ||
| 561 | Y | 37 | Very low | 37.2 | Very low | 199.5 Ų | 199.5 | 116 Ų | 116 | 78% | 0.782 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -124 | 60.8 | 169.1 | -77 | -85.7 | 0 | 0 | 0 | 112.8 | N559 | N559-Y561 PolarHBondContact O-N 3.29Å; N559-Y561 VanDerWaalsContact O-N 3.17Å |
| 562 | D | 31.7 | Very low | 36.8 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 68% | 0.684 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 145 | 99 | 178.7 | -66 | -32.1 | 0 | 0 | 0 | 114.8 | N559 | N559-D562 PolarHBondContact O-N 2.9Š|
| 563 | N | 31.5 | Very low | 36.5 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | trans | 130.1 | 102 | 136.2 | -72 | -56.8 | 0 | 0 | 0 | 115.5 | A565 | N563-A565 PolarHBondContact O-N 3.11Š| ||
| 564 | I | 30.9 | Very low | 36.6 | Very low | 187.5 Ų | 187.5 | 121.4 Ų | 121.4 | 96% | 0.962 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -80.4 | 52.8 | 159 | -63.1 | 170.9 | 0 | 0 | 0 | 109.5 | ||
| 565 | A | 31.3 | Very low | 37.2 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 63% | 0.628 | 67% | 0.673 | S | S | * | * | trans | -130.9 | 100.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N563 S567 | N563-A565 PolarHBondContact O-N 3.11Å; A565-S567 PolarHBondContact O-N 3.49Å; A565-S567 VanDerWaalsContact O-N 3.08Å | ||
| 566 | S | 28.2 | Very low | 38.4 | Very low | 106.5 Ų | 106.5 | 115.5 Ų | 115.5 | 75% | 0.745 | 65% | 0.65 | S | S | * | * | trans | -126.6 | 98.6 | 163.3 | 46.1 | 0 | 0 | 0 | 0 | 110.7 | E568 | S566-E568 PolarHBondContact O-N 2.87Š| ||
| 567 | S | 31.5 | Very low | 40.1 | Very low | 103.5 Ų | 103.5 | 115.5 Ų | 115.5 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | trans | -95.3 | 79.1 | 165.4 | 124.1 | 0 | 0 | 0 | 0 | 111.3 | A565 F569 | A565-S567 PolarHBondContact O-N 3.49Å; A565-S567 VanDerWaalsContact O-N 3.08Å; S567-F569 VanDerWaalsContact C-N 3.3Å; S567-F569 PolarHBondContact O-N 3.1Å; S567-F569 WeakPolarHBondContact OG-CD2 3.16Å; S567-F569 VanDerWaalsContact OG-CE2 3.28Å; S567-F569 WeakPolarHBondContact OG-CE2 3.2Å | ||
| 568 | E | 29.4 | Very low | 42.4 | Very low | 191.5 Ų | 191.5 | 112.5 Ų | 112.5 | 90% | 0.895 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 55.6 | 175.1 | -68.7 | -173.7 | 157.9 | 0 | 0 | 111 | S566 G570 | S566-E568 PolarHBondContact O-N 2.87Å; E568-G570 VanDerWaalsContact C-N 3.32Å; E568-G570 PolarHBondContact O-N 2.89Å |
| 569 | F | 33.6 | Very low | 44.9 | Very low | 176 Ų | 176 | 106.5 Ų | 106.5 | 77% | 0.772 | 60% | 0.595 | S | S | * | * | trans | -69.4 | 79.4 | 162.6 | -83.7 | -84.8 | 0 | 0 | 0 | 108.8 | S567 A571 | S567-F569 VanDerWaalsContact C-N 3.3Å; S567-F569 PolarHBondContact O-N 3.1Å; S567-F569 WeakPolarHBondContact OG-CD2 3.16Å; S567-F569 VanDerWaalsContact OG-CE2 3.28Å; S567-F569 WeakPolarHBondContact OG-CE2 3.2Å; F569-A571 PolarHBondContact O-N 3.05Å | ||
| 570 | G | 28.8 | Very low | 47.7 | Very low | 57.5 Ų | 57.5 | 100.8 Ų | 100.8 | 59% | 0.593 | 57% | 0.565 | S | S | * | * | trans | -51.2 | 133.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | E568 Q572 | E568-G570 VanDerWaalsContact C-N 3.32Å; E568-G570 PolarHBondContact O-N 2.89Å; G570-Q572 VanDerWaalsContact C-N 3.28Å; G570-Q572 PolarHBondContact O-N 3.31Å | ||
| 571 | A | 34.4 | Very low | 50.5 | Low | 100.5 Ų | 100.5 | 95.7 Ų | 95.7 | 83% | 0.831 | 54% | 0.542 | S | S | * | . | trans | -47 | 93.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F569 S573 | F569-A571 PolarHBondContact O-N 3.05Å; A571-S573 VanDerWaalsContact C-N 3.3Å; A571-S573 PolarHBondContact O-N 2.85Å | ||
| 572 | Q | 39.2 | Very low | 53.2 | Low | 174 Ų | 174 | 86.2 Ų | 86.2 | 81% | 0.813 | 50% | 0.504 | S | S | * | . | trans | -60.4 | 103.8 | 166.6 | -78.4 | -172 | -11.6 | 0 | 0 | 105.3 | G570 S574 | G570-Q572 VanDerWaalsContact C-N 3.28Å; G570-Q572 PolarHBondContact O-N 3.31Å; Q572-S574 PolarHBondContact O-N 2.91Å | ||
| 573 | S | 42 | Very low | 56.1 | Low | 91.5 Ų | 91.5 | 81.4 Ų | 81.4 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | trans | -46.8 | 111.4 | 177 | -172.1 | 0 | 0 | 0 | 0 | 107.6 | A571 C575 | A571-S573 VanDerWaalsContact C-N 3.3Å; A571-S573 PolarHBondContact O-N 2.85Å; S573-C575 PolarHBondContact O-N 3.25Å | ||
| 574 | S | 50.5 | Low | 58.9 | Low | 62.5 Ų | 62.5 | 74.8 Ų | 74.8 | 44% | 0.437 | 44% | 0.444 | S | S | . | . | trans | -71.6 | 75.1 | -177 | 56.2 | 0 | 0 | 0 | 0 | 108.8 | Q572 N576 | Q572-S574 PolarHBondContact O-N 2.91Å; S574-N576 PolarHBondContact O-N 3.17Å; S574-N576 VanDerWaalsContact O-N 3.16Å | ||
| 575 | C | 56.3 | Low | 61.4 | Low | 58.5 Ų | 58.5 | 71.6 Ų | 71.6 | 40% | 0.395 | 43% | 0.425 | S | S | . | . | trans | -63.5 | 111 | -179.2 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | S573 K577 E598 | S573-C575 PolarHBondContact O-N 3.25Å; C575-K577 VanDerWaalsContact C-N 3.26Å; C575-K577 HydrophobicContact CB-CG 4.33Å; C575-K577 PolarHBondContact O-N 2.97Å; C575-E598 WeakPolarHBondContact CA-OE1 3.16Å; C575-E598 PolarHBondContact SG-OE1 3.22Å | ||
| 576 | N | 68.9 | Low | 63.8 | Low | 17.5 Ų | 17.5 | 69 Ų | 69 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | trans | -69.6 | 96.5 | 177.8 | -78 | -18.7 | 0 | 0 | 0 | 109.1 | E414 K549 S574 V578 E598 Y602 | E414-N576 PolarHBondContact OE2-ND2 3.23Å; K549-N576 VanDerWaalsContact CE-OD1 3.27Å; K549-N576 WeakPolarHBondContact CE-OD1 3.35Å; K549-N576 PolarHBondContact NZ-OD1 3.26Å; S574-N576 PolarHBondContact O-N 3.17Å; S574-N576 VanDerWaalsContact O-N 3.16Å; N576-V578 PolarHBondContact O-N 3.43Å; N576-E598 PolarHBondContact ND2-O 3.33Å; N576-Y602 HydrophobicContact CB-CD1 4.22Å; N576-Y602 HydrophobicContact CB-CE1 3.89Å; N576-Y602 VanDerWaalsContact CB-OH 3.25Å; N576-Y602 WeakPolarHBondContact CB-OH 3.33Å; N576-Y602 PolarHBondContact ND2-OH 3.3Å; N576-Y602 PolarHBondContact OD1-OH 2.94Å; N576-Y602 VanDerWaalsContact OD1-OH 3.12Å | ||
| 577 | K | 82 | Confident | 66.5 | Low | 91 Ų | 91 | 65.6 Ų | 65.6 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 110.8 | -177.7 | -66.2 | 174.7 | -174.1 | 169.6 | 0 | 110.2 | N547 S548 C575 Y579 | N547-K577 PolarHBondContact OD1-O 2.89Å; S548-K577 PolarHBondContact N-O 3.08Å; S548-K577 PolarHBondContact O-N 3.29Å; S548-K577 WeakPolarHBondContact OG-CB 3.45Å; C575-K577 VanDerWaalsContact C-N 3.26Å; C575-K577 HydrophobicContact CB-CG 4.33Å; C575-K577 PolarHBondContact O-N 2.97Å; K577-Y579 HydrophobicContact CB-CE1 3.87Å; K577-Y579 HydrophobicContact CB-CE2 4.35Å; K577-Y579 HydrophobicContact CD-CE1 4.45Å; K577-Y579 WeakPolarHBondContact CD-OH 3.46Å |
| 578 | V | 89.8 | Confident | 69.3 | Low | 2.5 Ų | 2.5 | 60.7 Ų | 60.7 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.4 | 172.8 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | L410 L545 N576 L594 V596 Y602 | L410-V578 HydrophobicContact CD1-CG2 4.27Å; L545-V578 HydrophobicContact CD1-CG1 3.56Å; L545-V578 HydrophobicContact CD2-CG1 3.96Å; L545-V578 HydrophobicContact CG-CG1 3.73Å; N576-V578 PolarHBondContact O-N 3.43Å; V578-L594 HydrophobicContact CB-CB 4.34Å; V578-L594 HydrophobicContact CG1-CB 4.42Å; V578-L594 HydrophobicContact CG1-CD1 4.03Å; V578-L594 PolarHBondContact O-N 2.89Å; V578-V596 HydrophobicContact CB-CG2 4.4Å; V578-V596 HydrophobicContact CG2-CG2 4.16Å; V578-Y602 HydrophobicContact CG2-CD1 3.72Å; V578-Y602 HydrophobicContact CG2-CE1 3.87Å |
| 579 | Y | 93.5 | Very high | 72.3 | Confident | 17 Ų | 17 | 53 Ų | 53 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.4 | 174.8 | -55.2 | -61.5 | 0 | 0 | 0 | 111.2 | C42 L545 L546 S548 K577 L591 W592 N593 K611 | C42-Y579 WeakPolarHBondContact O-CD2 3.26Å; C42-Y579 WeakPolarHBondContact O-CE2 3.45Å; L545-Y579 CarbonylContact C-O 3.54Å; L545-Y579 WeakPolarHBondContact CA-O 3.37Å; L546-Y579 HydrophobicContact CB-CD2 4.43Å; L546-Y579 PolarHBondContact N-O 3.25Å; L546-Y579 PolarHBondContact O-N 3.15Å; S548-Y579 VanDerWaalsContact CB-CE2 3.44Å; K577-Y579 HydrophobicContact CB-CE1 3.87Å; K577-Y579 HydrophobicContact CB-CE2 4.35Å; K577-Y579 HydrophobicContact CD-CE1 4.45Å; K577-Y579 WeakPolarHBondContact CD-OH 3.46Å; Y579-L591 VanDerWaalsContact CB-CD1 3.46Å; Y579-L591 HydrophobicContact CD1-CG 4.48Å; Y579-L591 HydrophobicContact CD2-CD1 4.23Å; Y579-L591 HydrophobicContact CG-CD1 4.17Å; Y579-L591 HydrophobicContact CG-CG 4.37Å; Y579-W592 CarbonylContact C-O 3.56Å; Y579-W592 WeakPolarHBondContact CA-O 3.42Å; Y579-W592 WeakPolarHBondContact CB-O 3.48Å; Y579-N593 HydrophobicContact CD1-CB 3.9Å; Y579-N593 HydrophobicContact CE1-CB 3.85Å; Y579-N593 VanDerWaalsContact CE1-OD1 3.23Å; Y579-N593 WeakPolarHBondContact CE1-OD1 3.44Å; Y579-K611 HydrophobicContact CD1-CD 4.17Å; Y579-K611 HydrophobicContact CE1-CD 3.6Å; Y579-K611 VanDerWaalsContact CE1-CD 3.42Å; Y579-K611 VanDerWaalsContact CZ-NZ 3.34Å; Y579-K611 PolarHBondContact OH-NZ 3.18Å |
| 580 | L | 94.6 | Very high | 75.1 | Confident | 0.5 Ų | 0.5 | 44.6 Ų | 44.6 | 0% | 0.003 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.8 | 172.1 | 177.9 | 67.7 | 0 | 0 | 0 | 108.8 | F495 I497 F531 L543 L545 T582 W592 L594 | F495-L580 HydrophobicContact CE2-CD1 4.18Å; F495-L580 HydrophobicContact CE2-CD2 4.27Å; F495-L580 HydrophobicContact CZ-CD1 3.93Å; I497-L580 HydrophobicContact CD1-CD2 4.1Å; F531-L580 HydrophobicContact CE1-CD2 4.34Å; F531-L580 HydrophobicContact CZ-CD2 3.9Å; L543-L580 HydrophobicContact CB-CD1 4.13Å; L543-L580 HydrophobicContact CD1-CD1 4.39Å; L545-L580 HydrophobicContact CD1-CB 4.5Å; L545-L580 HydrophobicContact CD1-CD1 4.2Å; L545-L580 HydrophobicContact CD2-CB 4.2Å; L545-L580 HydrophobicContact CD2-CD1 3.99Å; L545-L580 HydrophobicContact CG-CD1 4.29Å; L580-T582 HydrophobicContact CD2-CG2 4.08Å; L580-T582 HydrophobicContact CG-CG2 4.06Å; L580-W592 HydrophobicContact CB-CB 4.32Å; L580-W592 PolarHBondContact N-O 3.01Å; L580-W592 PolarHBondContact O-N 2.98Å; L580-L594 HydrophobicContact CB-CD1 4.15Å; L580-L594 HydrophobicContact CB-CD2 4.28Å; L580-L594 HydrophobicContact CB-CG 4.16Å; L580-L594 HydrophobicContact CD2-CD2 4.39Å |
| 581 | L | 95.1 | Very high | 78.3 | Confident | 27.5 Ų | 27.5 | 42.7 Ų | 42.7 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.8 | 171 | -122.8 | 129.2 | 0 | 0 | 0 | 109.6 | F18 V20 T29 F44 A544 L546 L589 N590 L591 | F18-L581 HydrophobicContact CD2-CD1 4.29Å; F18-L581 HydrophobicContact CE2-CB 4.37Å; F18-L581 HydrophobicContact CE2-CD1 4.01Å; V20-L581 HydrophobicContact CG2-CD1 3.88Å; T29-L581 HydrophobicContact CG2-CD1 3.95Å; F44-L581 HydrophobicContact CE1-CD2 4.25Å; F44-L581 HydrophobicContact CE2-CD1 4.46Å; F44-L581 HydrophobicContact CE2-CD2 3.58Å; F44-L581 HydrophobicContact CZ-CD1 4.39Å; F44-L581 HydrophobicContact CZ-CD2 3.29Å; F44-L581 HydrophobicContact CZ-CG 4.48Å; A544-L581 HydrophobicContact CB-CB 4.23Å; A544-L581 HydrophobicContact CB-CD1 4.3Å; A544-L581 PolarHBondContact N-O 3.05Å; A544-L581 VanDerWaalsContact N-O 3.09Å; A544-L581 WeakPolarHBondContact O-CB 3.32Å; A544-L581 PolarHBondContact O-N 3.27Å; L546-L581 HydrophobicContact CD1-CB 3.76Å; L546-L581 HydrophobicContact CD1-CD1 3.92Å; L546-L581 HydrophobicContact CD1-CD2 3.8Å; L546-L581 HydrophobicContact CD1-CG 3.74Å; L546-L581 HydrophobicContact CG-CD1 4.38Å; L546-L581 HydrophobicContact CG-CG 4.36Å; L581-L589 HydrophobicContact CB-CD1 4.22Å; L581-L589 HydrophobicContact CD1-CB 4.35Å; L581-N590 WeakPolarHBondContact CA-O 3.35Å; L581-L591 HydrophobicContact CB-CD1 4.33Å; L581-L591 HydrophobicContact CD1-CD1 4.38Å; L581-L591 HydrophobicContact CD2-CB 4.28Å; L581-L591 HydrophobicContact CD2-CD1 3.45Å; L581-L591 VanDerWaalsContact CD2-CD1 3.45Å; L581-L591 HydrophobicContact CD2-CG 4.49Å |
| 582 | T | 93.6 | Very high | 81.1 | Confident | 0.5 Ų | 0.5 | 38.3 Ų | 38.3 | 0% | 0.003 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.2 | 175.1 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | I497 F531 L539 L543 L580 H584 L589 N590 W592 | I497-T582 HydrophobicContact CD1-CG2 3.94Å; F531-T582 HydrophobicContact CE1-CG2 4.4Å; L539-T582 HydrophobicContact CD1-CG2 3.92Å; L543-T582 HydrophobicContact CD2-CG2 4.08Å; L580-T582 HydrophobicContact CD2-CG2 4.08Å; L580-T582 HydrophobicContact CG-CG2 4.06Å; T582-H584 PolarHBondContact O-CD2 3.18Å; T582-H584 PolarHBondContact OG1-NE2 3.21Å; T582-L589 WeakPolarHBondContact O-CA 3.31Å; T582-N590 PolarHBondContact N-O 2.95Å; T582-N590 PolarHBondContact O-N 3.36Å; T582-N590 WeakPolarHBondContact OG1-CB 3.44Å; T582-N590 PolarHBondContact OG1-O 3.02Å; T582-W592 PolarHBondContact OG1-NE1 3.04Å |
| 583 | T | 92.5 | Very high | 83.7 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 16% | 0.16 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145 | 173.9 | 53.5 | 0 | 0 | 0 | 0 | 110 | L11 F18 H540 N542 L589 | L11-T583 HydrophobicContact CD1-CG2 3.56Å; F18-T583 HydrophobicContact CD1-CG2 3.54Å; F18-T583 HydrophobicContact CE1-CG2 3.37Å; F18-T583 HydrophobicContact CG-CG2 4.25Å; F18-T583 HydrophobicContact CZ-CG2 3.95Å; H540-T583 WeakPolarHBondContact CB-O 3.32Å; H540-T583 WeakPolarHBondContact CB-OG1 3.19Å; H540-T583 PolarHBondContact CD2-O 3.45Å; H540-T583 PolarHBondContact N-O 2.82Å; N542-T583 PolarHBondContact O-OG1 2.82Å; T583-L589 HydrophobicContact CG2-CD1 3.47Å; T583-L589 VanDerWaalsContact CG2-CD1 3.47Å; T583-L589 HydrophobicContact CG2-CD2 3.56Å |
| 584 | H | 89.8 | Confident | 86.2 | Confident | 3.5 Ų | 3.5 | 27.3 Ų | 27.3 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -127.8 | 154.2 | -174.3 | -60.5 | -93.3 | 0 | 0 | 0 | 112.5 | D535 S538 H540 T582 N586 G587 T588 N590 | D535-H584 PolarHBondContact O-CE1 3.13Å; D535-H584 PolarHBondContact O-ND1 3Å; D535-H584 VanDerWaalsContact O-ND1 3.11Å; D535-H584 IonicContact OD1-CE1 2.84Å; S538-H584 CarbonylContact O-C 3.51Å; S538-H584 WeakPolarHBondContact O-CA 3.3Å; S538-H584 PolarHBondContact OG-ND1 3.1Å; S538-H584 VanDerWaalsContact OG-ND1 3.07Å; H540-H584 VanDerWaalsContact CD2-C 3.47Å; H540-H584 VanDerWaalsContact NE2-C 3.26Å; H540-H584 PolarHBondContact NE2-O 2.87Å; T582-H584 PolarHBondContact O-CD2 3.18Å; T582-H584 PolarHBondContact OG1-NE2 3.21Å; H584-N586 VanDerWaalsContact CB-OD1 3.26Å; H584-N586 WeakPolarHBondContact CB-OD1 3.28Å; H584-N586 PolarHBondContact O-N 3.31Å; H584-N586 VanDerWaalsContact O-N 3.11Å; H584-G587 WeakPolarHBondContact O-CA 3.3Å; H584-G587 PolarHBondContact O-N 3.26Å; H584-T588 PolarHBondContact CD2-O 3.25Å; H584-T588 PolarHBondContact N-O 3.02Å; H584-N590 PolarHBondContact CD2-ND2 3.14Å; H584-N590 VanDerWaalsContact CD2-ND2 3.3Å; H584-N590 PolarHBondContact NE2-ND2 3.03Å |
| 585 | Q | 83.8 | Confident | 88.1 | Confident | 120 Ų | 120 | 27.4 Ų | 27.4 | 56% | 0.561 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.3 | -174.8 | -115.3 | 179.1 | 10.5 | 0 | 0 | 114.9 | S538 H540 G587 | S538-Q585 WeakPolarHBondContact O-CG 3.47Å; S538-Q585 PolarHBondContact O-N 2.79Å; H540-Q585 WeakPolarHBondContact NE2-CA 3.41Å; H540-Q585 PolarHBondContact NE2-N 2.98Å; Q585-G587 VanDerWaalsContact C-N 3.31Å; Q585-G587 PolarHBondContact O-N 3.43Å |
| 586 | N | 81.5 | Confident | 89.7 | Confident | 20.5 Ų | 20.5 | 25.5 Ų | 25.5 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.8 | 173.2 | 63.6 | -6.4 | 0 | 0 | 0 | 113.7 | H584 T588 R618 T798 S800 | H584-N586 VanDerWaalsContact CB-OD1 3.26Å; H584-N586 WeakPolarHBondContact CB-OD1 3.28Å; H584-N586 PolarHBondContact O-N 3.31Å; H584-N586 VanDerWaalsContact O-N 3.11Å; N586-T588 VanDerWaalsContact C-N 3.34Å; N586-T588 WeakPolarHBondContact OD1-CB 3.4Å; N586-T588 WeakPolarHBondContact OD1-CG2 3.39Å; N586-T588 PolarHBondContact OD1-N 3.08Å; N586-T588 PolarHBondContact OD1-OG1 2.82Å; N586-T588 VanDerWaalsContact OD1-OG1 3.04Å; N586-R618 PolarHBondContact O-NH2 2.83Å; N586-T798 WeakPolarHBondContact CB-OG1 3.31Å; N586-S800 PolarHBondContact ND2-OG 3.41Å; N586-S800 PolarHBondContact OD1-OG 2.97Å |
| 587 | G | 85.6 | Confident | 90.7 | Very high | 35.5 Ų | 35.5 | 27.2 Ų | 27.2 | 37% | 0.366 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 87.6 | 4.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L11 H584 Q585 | L11-G587 WeakPolarHBondContact CB-O 3.36Å; L11-G587 PolarHBondContact N-O 2.95Å; L11-G587 WeakPolarHBondContact O-CA 3.28Å; H584-G587 WeakPolarHBondContact O-CA 3.3Å; H584-G587 PolarHBondContact O-N 3.26Å; Q585-G587 VanDerWaalsContact C-N 3.31Å; Q585-G587 PolarHBondContact O-N 3.43Å |
| 588 | T | 90 | Very high | 90.7 | Very high | 0.5 Ų | 0.5 | 28 Ų | 28 | 0% | 0.003 | 15% | 0.15 | C | C | . | . | trans | -82.9 | 147.5 | -179.7 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | H584 N586 R613 M614 C615 S800 | H584-T588 PolarHBondContact CD2-O 3.25Å; H584-T588 PolarHBondContact N-O 3.02Å; N586-T588 VanDerWaalsContact C-N 3.34Å; N586-T588 WeakPolarHBondContact OD1-CB 3.4Å; N586-T588 WeakPolarHBondContact OD1-CG2 3.39Å; N586-T588 PolarHBondContact OD1-N 3.08Å; N586-T588 PolarHBondContact OD1-OG1 2.82Å; N586-T588 VanDerWaalsContact OD1-OG1 3.04Å; T588-R613 VanDerWaalsContact CB-NH2 3.27Å; T588-R613 PolarHBondContact OG1-NH2 3.48Å; T588-M614 WeakPolarHBondContact CA-O 3.35Å; T588-M614 WeakPolarHBondContact CB-O 3.3Å; T588-C615 HydrophobicContact CG2-CB 3.52Å; T588-C615 VanDerWaalsContact CG2-CB 3.43Å; T588-S800 PolarHBondContact OG1-OG 2.68Å | ||
| 589 | L | 93 | Very high | 90.5 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123 | 175.4 | -117.1 | 122.4 | 0 | 0 | 0 | 108.5 | L11 F18 T29 F44 L581 T582 T583 R613 M614 | L11-L589 HydrophobicContact CD1-CB 3.93Å; L11-L589 HydrophobicContact CD1-CD1 4.31Å; L11-L589 HydrophobicContact CD1-CD2 4.43Å; L11-L589 HydrophobicContact CD1-CG 4.46Å; F18-L589 HydrophobicContact CD2-CD1 4.27Å; F18-L589 HydrophobicContact CE2-CD1 4.38Å; T29-L589 HydrophobicContact CG2-CD2 4.27Å; F44-L589 HydrophobicContact CE1-CB 4.45Å; F44-L589 HydrophobicContact CE1-CD2 3.78Å; F44-L589 HydrophobicContact CE1-CG 3.77Å; F44-L589 HydrophobicContact CE2-CD2 4.48Å; F44-L589 HydrophobicContact CZ-CD2 3.42Å; F44-L589 VanDerWaalsContact CZ-CD2 3.42Å; F44-L589 HydrophobicContact CZ-CG 3.67Å; L581-L589 HydrophobicContact CB-CD1 4.22Å; L581-L589 HydrophobicContact CD1-CB 4.35Å; T582-L589 WeakPolarHBondContact O-CA 3.31Å; T583-L589 HydrophobicContact CG2-CD1 3.47Å; T583-L589 VanDerWaalsContact CG2-CD1 3.47Å; T583-L589 HydrophobicContact CG2-CD2 3.56Å; L589-R613 CarbonylContact O-C 3.56Å; L589-R613 WeakPolarHBondContact O-CA 3.45Å; L589-M614 HydrophobicContact CB-CB 4.14Å; L589-M614 HydrophobicContact CB-CE 4.47Å; L589-M614 HydrophobicContact CD1-SD 4.18Å; L589-M614 PolarHBondContact N-O 3.24Å; L589-M614 VanDerWaalsContact N-O 3.15Å; L589-M614 PolarHBondContact O-N 3.24Å |
| 590 | N | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.7 | 175 | -70.8 | -56.1 | 0 | 0 | 0 | 110 | D535 L581 T582 H584 W592 H610 R613 | D535-N590 PolarHBondContact OD1-ND2 3.13Å; L581-N590 WeakPolarHBondContact CA-O 3.35Å; T582-N590 PolarHBondContact N-O 2.95Å; T582-N590 PolarHBondContact O-N 3.36Å; T582-N590 WeakPolarHBondContact OG1-CB 3.44Å; T582-N590 PolarHBondContact OG1-O 3.02Å; H584-N590 PolarHBondContact CD2-ND2 3.14Å; H584-N590 VanDerWaalsContact CD2-ND2 3.3Å; H584-N590 PolarHBondContact NE2-ND2 3.03Å; N590-W592 HydrophobicContact CB-CZ2 3.88Å; N590-W592 VanDerWaalsContact CB-NE1 3.26Å; N590-H610 PolarHBondContact OD1-NE2 2.96Å; N590-R613 VanDerWaalsContact CG-NH1 3.32Å; N590-R613 PolarHBondContact ND2-NH1 3.37Å; N590-R613 WeakPolarHBondContact OD1-CB 3.45Å; N590-R613 VanDerWaalsContact OD1-CG 3.31Å; N590-R613 WeakPolarHBondContact OD1-CG 3.4Å; N590-R613 PolarHBondContact OD1-NH1 2.82Å |
| 591 | L | 94.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.8 | 170.8 | -175 | 70.8 | 0 | 0 | 0 | 108.6 | F44 L546 Y579 L581 K611 S612 | F44-L591 HydrophobicContact CB-CD2 4.37Å; F44-L591 HydrophobicContact CD1-CB 4.02Å; F44-L591 HydrophobicContact CD2-CB 4.5Å; F44-L591 HydrophobicContact CD2-CD1 4.35Å; F44-L591 HydrophobicContact CD2-CD2 4.09Å; F44-L591 HydrophobicContact CE1-CB 4.03Å; F44-L591 HydrophobicContact CE2-CD1 4.18Å; F44-L591 HydrophobicContact CG-CB 4.28Å; F44-L591 HydrophobicContact CG-CD2 4.09Å; F44-L591 HydrophobicContact CZ-CB 4.31Å; L546-L591 HydrophobicContact CD1-CD1 4.05Å; Y579-L591 VanDerWaalsContact CB-CD1 3.46Å; Y579-L591 HydrophobicContact CD1-CG 4.48Å; Y579-L591 HydrophobicContact CD2-CD1 4.23Å; Y579-L591 HydrophobicContact CG-CD1 4.17Å; Y579-L591 HydrophobicContact CG-CG 4.37Å; L581-L591 HydrophobicContact CB-CD1 4.33Å; L581-L591 HydrophobicContact CD1-CD1 4.38Å; L581-L591 HydrophobicContact CD2-CB 4.28Å; L581-L591 HydrophobicContact CD2-CD1 3.45Å; L581-L591 VanDerWaalsContact CD2-CD1 3.45Å; L581-L591 HydrophobicContact CD2-CG 4.49Å; L591-K611 HydrophobicContact CD2-CB 4.44Å; L591-K611 HydrophobicContact CD2-CD 3.92Å; L591-K611 HydrophobicContact CD2-CG 4.36Å; L591-K611 HydrophobicContact CG-CB 4.45Å; L591-K611 WeakPolarHBondContact O-CA 3.26Å; L591-K611 WeakPolarHBondContact O-CB 3.2Å; L591-K611 PolarHBondContact O-N 3.23Å; L591-S612 WeakPolarHBondContact CB-OG 3.33Å; L591-S612 WeakPolarHBondContact CD2-OG 3.34Å; L591-S612 PolarHBondContact N-O 2.89Å; L591-S612 PolarHBondContact O-N 3.07Å |
| 592 | W | 94.5 | Very high | 89.4 | Confident | 8.5 Ų | 8.5 | 40.3 Ų | 40.3 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.3 | 178 | -49.4 | 83.4 | 0 | 0 | 0 | 109.5 | F531 P532 D535 Y579 L580 T582 N590 V608 T609 H610 | F531-W592 AromaticContact CD1-CD2 3.92Å; F531-W592 HydrophobicContact CD1-CD2 3.92Å; F531-W592 AromaticContact CD1-CE2 3.75Å; F531-W592 AromaticContact CD1-CE3 3.97Å; F531-W592 HydrophobicContact CD1-CE3 4.04Å; F531-W592 AromaticContact CD1-CH2 3.89Å; F531-W592 HydrophobicContact CD1-CH2 3.95Å; F531-W592 AromaticContact CD1-CZ2 3.8Å; F531-W592 HydrophobicContact CD1-CZ2 3.8Å; F531-W592 AromaticContact CD1-CZ3 3.95Å; F531-W592 HydrophobicContact CD1-CZ3 4.04Å; F531-W592 AromaticContact CE1-CD2 3.57Å; F531-W592 HydrophobicContact CE1-CD2 3.57Å; F531-W592 AromaticContact CE1-CE2 3.7Å; F531-W592 AromaticContact CE1-CE3 3.87Å; F531-W592 HydrophobicContact CE1-CE3 3.96Å; F531-W592 AromaticContact CE1-CG 3.83Å; F531-W592 HydrophobicContact CE1-CG 3.83Å; F531-W592 HydrophobicContact CE1-CZ2 4.24Å; F531-W592 HydrophobicContact CE1-CZ3 4.34Å; F531-W592 AromaticContact CE1-NE1 3.92Å; P532-W592 HydrophobicContact CG-CH2 4.32Å; D535-W592 HydrophobicContact CB-CH2 4.39Å; D535-W592 HydrophobicContact CB-CZ2 4.21Å; Y579-W592 CarbonylContact C-O 3.56Å; Y579-W592 WeakPolarHBondContact CA-O 3.42Å; Y579-W592 WeakPolarHBondContact CB-O 3.48Å; L580-W592 HydrophobicContact CB-CB 4.32Å; L580-W592 PolarHBondContact N-O 3.01Å; L580-W592 PolarHBondContact O-N 2.98Å; T582-W592 PolarHBondContact OG1-NE1 3.04Å; N590-W592 HydrophobicContact CB-CZ2 3.88Å; N590-W592 VanDerWaalsContact CB-NE1 3.26Å; W592-V608 HydrophobicContact CB-CG1 3.97Å; W592-V608 HydrophobicContact CD2-CG1 4.37Å; W592-V608 HydrophobicContact CE3-CG1 3.99Å; W592-V608 HydrophobicContact CG-CG1 4.39Å; W592-T609 CarbonylContact C-O 3.54Å; W592-T609 WeakPolarHBondContact CA-O 3.33Å; W592-H610 AromaticContact CE2-CD2 3.96Å; W592-H610 HydrophobicContact CE3-CB 3.77Å; W592-H610 AromaticContact CE3-CD2 3.92Å; W592-H610 HydrophobicContact CH2-CB 4.36Å; W592-H610 AromaticContact CH2-CD2 3.71Å; W592-H610 AromaticContact CZ2-CD2 3.84Å; W592-H610 HydrophobicContact CZ3-CB 3.64Å; W592-H610 AromaticContact CZ3-CD2 3.77Å |
| 593 | N | 94.2 | Very high | 89.1 | Confident | 29 Ų | 29 | 41.2 Ų | 41.2 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118 | 171.9 | 177.1 | 61 | 0 | 0 | 0 | 109.3 | Y579 N595 T609 | Y579-N593 HydrophobicContact CD1-CB 3.9Å; Y579-N593 HydrophobicContact CE1-CB 3.85Å; Y579-N593 VanDerWaalsContact CE1-OD1 3.23Å; Y579-N593 WeakPolarHBondContact CE1-OD1 3.44Å; N593-N595 PolarHBondContact ND2-OD1 3.07Å; N593-T609 WeakPolarHBondContact CB-OG1 3.44Å; N593-T609 PolarHBondContact N-O 2.91Å; N593-T609 PolarHBondContact ND2-OG1 3.19Å; N593-T609 PolarHBondContact O-N 3.02Å; N593-T609 PolarHBondContact O-OG1 3.06Å; N593-T609 VanDerWaalsContact O-OG1 3.06Å |
| 594 | L | 92.8 | Very high | 88.9 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 111.2 | 175 | -57.6 | -177.4 | 0 | 0 | 0 | 107.6 | L405 L545 V578 L580 V596 I605 V608 | L405-L594 HydrophobicContact CD1-CD1 4.31Å; L545-L594 HydrophobicContact CD1-CD1 3.74Å; L545-L594 HydrophobicContact CD2-CD1 3.81Å; V578-L594 HydrophobicContact CB-CB 4.34Å; V578-L594 HydrophobicContact CG1-CB 4.42Å; V578-L594 HydrophobicContact CG1-CD1 4.03Å; V578-L594 PolarHBondContact O-N 2.89Å; L580-L594 HydrophobicContact CB-CD1 4.15Å; L580-L594 HydrophobicContact CB-CD2 4.28Å; L580-L594 HydrophobicContact CB-CG 4.16Å; L580-L594 HydrophobicContact CD2-CD2 4.39Å; L594-V596 HydrophobicContact CB-CG2 4.39Å; L594-V596 PolarHBondContact O-N 3.21Å; L594-I605 HydrophobicContact CD1-CD1 4.4Å; L594-V608 HydrophobicContact CD2-CB 4.35Å; L594-V608 HydrophobicContact CD2-CG1 4.11Å; L594-V608 HydrophobicContact CD2-CG2 3.78Å |
| 595 | N | 91.3 | Very high | 89 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 34% | 0.342 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 107.4 | 175.4 | -66.1 | -24.6 | 0 | 0 | 0 | 107.6 | N593 I605 L606 G607 | N593-N595 PolarHBondContact ND2-OD1 3.07Å; N595-I605 CarbonylContact O-C 3.59Å; N595-L606 HydrophobicContact CB-CB 4.46Å; N595-L606 WeakPolarHBondContact O-CB 3.35Å; N595-L606 PolarHBondContact O-N 2.94Å; N595-G607 PolarHBondContact N-O 2.9Å; N595-G607 PolarHBondContact O-N 3.08Å |
| 596 | V | 89.9 | Confident | 89.3 | Confident | 20.5 Ų | 20.5 | 43.2 Ų | 43.2 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 141.1 | -177.4 | 172.2 | 0 | 0 | 0 | 0 | 108.8 | V578 L594 E598 Y602 L604 I605 | V578-V596 HydrophobicContact CB-CG2 4.4Å; V578-V596 HydrophobicContact CG2-CG2 4.16Å; L594-V596 HydrophobicContact CB-CG2 4.39Å; L594-V596 PolarHBondContact O-N 3.21Å; V596-E598 PolarHBondContact O-N 3.2Å; V596-Y602 HydrophobicContact CG1-CD1 4.06Å; V596-Y602 HydrophobicContact CG1-CG 4.45Å; V596-L604 WeakPolarHBondContact CA-O 3.01Å; V596-I605 HydrophobicContact CG2-CG1 4.4Å |
| 597 | D | 89.8 | Confident | 89.7 | Confident | 51.5 Ų | 51.5 | 43 Ų | 43 | 28% | 0.275 | 23% | 0.23 | S | C | . | . | trans | -67.6 | 123.1 | 173.8 | 174.1 | 34.1 | 0 | 0 | 0 | 110.5 | K599 S600 L604 L606 | D597-K599 PolarHBondContact O-N 2.93Å; D597-K599 VanDerWaalsContact O-N 3.13Å; D597-K599 PolarHBondContact OD1-N 3.03Å; D597-S600 WeakPolarHBondContact O-CB 3.4Å; D597-S600 PolarHBondContact O-N 3.09Å; D597-S600 PolarHBondContact O-OG 3.08Å; D597-S600 PolarHBondContact OD2-N 2.94Å; D597-L604 HydrophobicContact CB-CB 4.31Å; D597-L604 HydrophobicContact CB-CD2 4.25Å; D597-L604 HydrophobicContact CB-CG 4.45Å; D597-L604 PolarHBondContact N-O 3.09Å; D597-L606 HydrophobicContact CB-CD1 4.06Å; D597-L606 HydrophobicContact CB-CD2 4.23Å; D597-L606 HydrophobicContact CB-CG 4.14Å | ||
| 598 | E | 81.1 | Confident | 90 | Very high | 109 Ų | 109 | 42.6 Ų | 42.6 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.7 | -176 | -62.2 | -172.1 | 159.3 | 0 | 0 | 112.6 | C575 N576 V596 | C575-E598 WeakPolarHBondContact CA-OE1 3.16Å; C575-E598 PolarHBondContact SG-OE1 3.22Å; N576-E598 PolarHBondContact ND2-O 3.33Å; V596-E598 PolarHBondContact O-N 3.2Å |
| 599 | K | 86.1 | Confident | 90.1 | Very high | 186.5 Ų | 186.5 | 45.4 Ų | 45.4 | 81% | 0.811 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.1 | 179.4 | -63.8 | -179.7 | -177.6 | 176.2 | 0 | 113.9 | D597 N601 | D597-K599 PolarHBondContact O-N 2.93Å; D597-K599 VanDerWaalsContact O-N 3.13Å; D597-K599 PolarHBondContact OD1-N 3.03Å; K599-N601 PolarHBondContact O-N 2.95Å |
| 600 | S | 88 | Confident | 90 | Very high | 16.5 Ų | 16.5 | 48.3 Ų | 48.3 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.1 | -172.3 | 74.1 | 0 | 0 | 0 | 0 | 114.6 | D597 Y602 S603 L604 | D597-S600 WeakPolarHBondContact O-CB 3.4Å; D597-S600 PolarHBondContact O-N 3.09Å; D597-S600 PolarHBondContact O-OG 3.08Å; D597-S600 PolarHBondContact OD2-N 2.94Å; S600-Y602 PolarHBondContact O-N 2.84Å; S600-S603 WeakPolarHBondContact CB-OG 3.47Å; S600-S603 VanDerWaalsContact O-CB 3.27Å; S600-S603 WeakPolarHBondContact O-CB 3.18Å; S600-S603 PolarHBondContact O-N 3.3Å; S600-S603 PolarHBondContact O-OG 3.09Å; S600-S603 PolarHBondContact OG-N 3.03Å; S600-L604 PolarHBondContact OG-N 3.09Å; S600-L604 VanDerWaalsContact OG-N 3.14Å |
| 601 | N | 85.3 | Confident | 89.8 | Confident | 90 Ų | 90 | 53.1 Ų | 53.1 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 45.9 | -173.6 | -71 | -17.8 | 0 | 0 | 0 | 112.3 | V411 K599 S603 | V411-N601 HydrophobicContact CG2-CB 3.78Å; V411-N601 WeakPolarHBondContact CG2-O 3.25Å; K599-N601 PolarHBondContact O-N 2.95Å; N601-S603 PolarHBondContact O-N 2.97Å; N601-S603 VanDerWaalsContact O-N 3.16Å |
| 602 | Y | 86.9 | Confident | 89.5 | Confident | 11.3333 Ų | 11.3333 | 54.6 Ų | 54.6 | 4% | 0.044 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 17 | -176.7 | -50 | -91.2 | 0 | 0 | 0 | 115.9 | L405 N407 L410 V411 E414 K549 N576 V578 V596 S600 | L405-Y602 VanDerWaalsContact CD2-O 3.24Å; L405-Y602 WeakPolarHBondContact CD2-O 3.27Å; N407-Y602 WeakPolarHBondContact CB-O 3.15Å; L410-Y602 HydrophobicContact CB-CD2 3.84Å; L410-Y602 HydrophobicContact CB-CE2 3.96Å; L410-Y602 HydrophobicContact CB-CG 4.19Å; L410-Y602 HydrophobicContact CD1-CD1 3.95Å; L410-Y602 HydrophobicContact CD1-CD2 4.39Å; L410-Y602 HydrophobicContact CD1-CE1 4.25Å; L410-Y602 HydrophobicContact CD1-CG 3.96Å; V411-Y602 HydrophobicContact CG2-CD2 3.82Å; V411-Y602 HydrophobicContact CG2-CE2 4.35Å; E414-Y602 PolarHBondContact OE2-OH 3.22Å; K549-Y602 PolarHBondContact NZ-OH 3.29Å; N576-Y602 HydrophobicContact CB-CD1 4.22Å; N576-Y602 HydrophobicContact CB-CE1 3.89Å; N576-Y602 VanDerWaalsContact CB-OH 3.25Å; N576-Y602 WeakPolarHBondContact CB-OH 3.33Å; N576-Y602 PolarHBondContact ND2-OH 3.3Å; N576-Y602 PolarHBondContact OD1-OH 2.94Å; N576-Y602 VanDerWaalsContact OD1-OH 3.12Å; V578-Y602 HydrophobicContact CG2-CD1 3.72Å; V578-Y602 HydrophobicContact CG2-CE1 3.87Å; V596-Y602 HydrophobicContact CG1-CD1 4.06Å; V596-Y602 HydrophobicContact CG1-CG 4.45Å; S600-Y602 PolarHBondContact O-N 2.84Å |
| 603 | S | 87 | Confident | 89.1 | Confident | 19.6667 Ų | 19.6667 | 57.3 Ų | 57.3 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | trans | -89 | -24.1 | -177.6 | 72.9 | 0 | 0 | 0 | 0 | 114.8 | Y491 S600 N601 | Y491-S603 WeakPolarHBondContact OH-CB 3.35Å; Y491-S603 PolarHBondContact OH-OG 3.14Å; S600-S603 WeakPolarHBondContact CB-OG 3.47Å; S600-S603 VanDerWaalsContact O-CB 3.27Å; S600-S603 WeakPolarHBondContact O-CB 3.18Å; S600-S603 PolarHBondContact O-N 3.3Å; S600-S603 PolarHBondContact O-OG 3.09Å; S600-S603 PolarHBondContact OG-N 3.03Å; N601-S603 PolarHBondContact O-N 2.97Å; N601-S603 VanDerWaalsContact O-N 3.16Å | ||
| 604 | L | 89.6 | Confident | 88.8 | Confident | 79.6667 Ų | 79.6667 | 60.2 Ų | 60.2 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | trans | -116 | 113.9 | -176.9 | -177.7 | 64.9 | 0 | 0 | 0 | 111.8 | V596 D597 S600 L606 | V596-L604 WeakPolarHBondContact CA-O 3.01Å; D597-L604 HydrophobicContact CB-CB 4.31Å; D597-L604 HydrophobicContact CB-CD2 4.25Å; D597-L604 HydrophobicContact CB-CG 4.45Å; D597-L604 PolarHBondContact N-O 3.09Å; S600-L604 PolarHBondContact OG-N 3.09Å; S600-L604 VanDerWaalsContact OG-N 3.14Å; L604-L606 HydrophobicContact CD2-CD2 4Å; L604-L606 HydrophobicContact CG-CD2 4.2Å | ||
| 605 | I | 90.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.1 | 171.7 | -56 | 175.3 | 0 | 0 | 0 | 108.6 | L405 L504 I506 L527 L594 N595 V596 | L405-I605 HydrophobicContact CD1-CD1 4.23Å; L405-I605 HydrophobicContact CD2-CD1 4.15Å; L405-I605 HydrophobicContact CD2-CG1 4.35Å; L504-I605 HydrophobicContact CD2-CD1 4.25Å; L504-I605 HydrophobicContact CD2-CG2 4.22Å; I506-I605 HydrophobicContact CD1-CB 3.88Å; I506-I605 HydrophobicContact CD1-CD1 3.94Å; I506-I605 HydrophobicContact CD1-CG1 4.17Å; L527-I605 HydrophobicContact CD1-CG2 4.38Å; L594-I605 HydrophobicContact CD1-CD1 4.4Å; N595-I605 CarbonylContact O-C 3.59Å; V596-I605 HydrophobicContact CG2-CG1 4.4Å |
| 606 | L | 89.9 | Confident | 88.4 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 56% | 0.56 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -29.2 | 178.5 | -60.2 | 176 | 0 | 0 | 0 | 112.6 | N595 D597 L604 | N595-L606 HydrophobicContact CB-CB 4.46Å; N595-L606 WeakPolarHBondContact O-CB 3.35Å; N595-L606 PolarHBondContact O-N 2.94Å; D597-L606 HydrophobicContact CB-CD1 4.06Å; D597-L606 HydrophobicContact CB-CD2 4.23Å; D597-L606 HydrophobicContact CB-CG 4.14Å; L604-L606 HydrophobicContact CD2-CD2 4Å; L604-L606 HydrophobicContact CG-CD2 4.2Å |
| 607 | G | 90.7 | Very high | 88.3 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | 171.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N595 | N595-G607 PolarHBondContact N-O 2.9Å; N595-G607 PolarHBondContact O-N 3.08Å |
| 608 | V | 92.8 | Very high | 88 | Confident | 27.3333 Ų | 27.3333 | 60.9 Ų | 60.9 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.5 | 178.6 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | L504 A530 F531 W592 L594 | L504-V608 HydrophobicContact CD2-CG2 3.78Å; A530-V608 HydrophobicContact CB-CG2 4.39Å; F531-V608 HydrophobicContact CE1-CG1 4.05Å; F531-V608 HydrophobicContact CE2-CG1 4.26Å; F531-V608 HydrophobicContact CE2-CG2 4.33Å; F531-V608 HydrophobicContact CZ-CG1 3.8Å; F531-V608 HydrophobicContact CZ-CG2 4.35Å; W592-V608 HydrophobicContact CB-CG1 3.97Å; W592-V608 HydrophobicContact CD2-CG1 4.37Å; W592-V608 HydrophobicContact CE3-CG1 3.99Å; W592-V608 HydrophobicContact CG-CG1 4.39Å; L594-V608 HydrophobicContact CD2-CB 4.35Å; L594-V608 HydrophobicContact CD2-CG1 4.11Å; L594-V608 HydrophobicContact CD2-CG2 3.78Å |
| 609 | T | 91.8 | Very high | 88 | Confident | 60.6667 Ų | 60.6667 | 57.3 Ų | 57.3 | 37% | 0.372 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.2 | 177 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | W592 N593 K611 | W592-T609 CarbonylContact C-O 3.54Å; W592-T609 WeakPolarHBondContact CA-O 3.33Å; N593-T609 WeakPolarHBondContact CB-OG1 3.44Å; N593-T609 PolarHBondContact N-O 2.91Å; N593-T609 PolarHBondContact ND2-OG1 3.19Å; N593-T609 PolarHBondContact O-N 3.02Å; N593-T609 PolarHBondContact O-OG1 3.06Å; N593-T609 VanDerWaalsContact O-OG1 3.06Å; T609-K611 PolarHBondContact O-N 3.11Å |
| 610 | H | 90.2 | Very high | 87.7 | Confident | 90.3333 Ų | 90.3333 | 50.8 Ų | 50.8 | 42% | 0.418 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.6 | 174.1 | -173.8 | -98.4 | 0 | 0 | 0 | 109.7 | N590 W592 S612 | N590-H610 PolarHBondContact OD1-NE2 2.96Å; W592-H610 AromaticContact CE2-CD2 3.96Å; W592-H610 HydrophobicContact CE3-CB 3.77Å; W592-H610 AromaticContact CE3-CD2 3.92Å; W592-H610 HydrophobicContact CH2-CB 4.36Å; W592-H610 AromaticContact CH2-CD2 3.71Å; W592-H610 AromaticContact CZ2-CD2 3.84Å; W592-H610 HydrophobicContact CZ3-CB 3.64Å; W592-H610 AromaticContact CZ3-CD2 3.77Å; H610-S612 VanDerWaalsContact CE1-C 3.44Å; H610-S612 PolarHBondContact CE1-O 2.72Å; H610-S612 PolarHBondContact NE2-O 3.04Å; H610-S612 VanDerWaalsContact NE2-O 3.16Å |
| 611 | K | 89.1 | Confident | 87.5 | Confident | 100 Ų | 100 | 50.3 Ų | 50.3 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -48.9 | -178.6 | -175.7 | 174.3 | 176.8 | -168.9 | 0 | 112.1 | E43 Y579 L591 T609 | E43-K611 VanDerWaalsContact CD-NZ 3.31Å; E43-K611 IonicContact OE1-NZ 3.49Å; E43-K611 PolarHBondContact OE1-NZ 3.17Å; Y579-K611 HydrophobicContact CD1-CD 4.17Å; Y579-K611 HydrophobicContact CE1-CD 3.6Å; Y579-K611 VanDerWaalsContact CE1-CD 3.42Å; Y579-K611 VanDerWaalsContact CZ-NZ 3.34Å; Y579-K611 PolarHBondContact OH-NZ 3.18Å; L591-K611 HydrophobicContact CD2-CB 4.44Å; L591-K611 HydrophobicContact CD2-CD 3.92Å; L591-K611 HydrophobicContact CD2-CG 4.36Å; L591-K611 HydrophobicContact CG-CB 4.45Å; L591-K611 WeakPolarHBondContact O-CA 3.26Å; L591-K611 WeakPolarHBondContact O-CB 3.2Å; L591-K611 PolarHBondContact O-N 3.23Å; T609-K611 PolarHBondContact O-N 3.11Å |
| 612 | S | 87.9 | Confident | 87.4 | Confident | 48.3333 Ų | 48.3333 | 49.4 Ų | 49.4 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 158.8 | -179.4 | 62 | 0 | 0 | 0 | 0 | 112 | F44 L591 H610 | F44-S612 WeakPolarHBondContact CB-OG 3.12Å; L591-S612 WeakPolarHBondContact CB-OG 3.33Å; L591-S612 WeakPolarHBondContact CD2-OG 3.34Å; L591-S612 PolarHBondContact N-O 2.89Å; L591-S612 PolarHBondContact O-N 3.07Å; H610-S612 VanDerWaalsContact CE1-C 3.44Å; H610-S612 PolarHBondContact CE1-O 2.72Å; H610-S612 PolarHBondContact NE2-O 3.04Å; H610-S612 VanDerWaalsContact NE2-O 3.16Å |
| 613 | R | 87.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 52 Ų | 52 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133 | 177.6 | 178.6 | 177.4 | -173.1 | 98.6 | -7 | 109.9 | D535 T588 L589 N590 C615 S800 | D535-R613 IonicContact OD1-NH1 2.82Å; D535-R613 PolarHBondContact OD1-NH1 3.18Å; T588-R613 VanDerWaalsContact CB-NH2 3.27Å; T588-R613 PolarHBondContact OG1-NH2 3.48Å; L589-R613 CarbonylContact O-C 3.56Å; L589-R613 WeakPolarHBondContact O-CA 3.45Å; N590-R613 VanDerWaalsContact CG-NH1 3.32Å; N590-R613 PolarHBondContact ND2-NH1 3.37Å; N590-R613 WeakPolarHBondContact OD1-CB 3.45Å; N590-R613 VanDerWaalsContact OD1-CG 3.31Å; N590-R613 WeakPolarHBondContact OD1-CG 3.4Å; N590-R613 PolarHBondContact OD1-NH1 2.82Å; R613-C615 HydrophobicContact CG-CB 4.26Å; R613-S800 VanDerWaalsContact CZ-O 3.27Å; R613-S800 PolarHBondContact NH1-O 3.39Å; R613-S800 PolarHBondContact NH2-O 2.9Å; R613-S800 PolarHBondContact NH2-OG 2.75Å |
| 614 | M | 87.7 | Confident | 87.6 | Confident | 90.6667 Ų | 90.6667 | 52.1 Ų | 52.1 | 45% | 0.447 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.5 | 168.2 | -162.7 | 179.5 | 113.6 | 0 | 0 | 108.6 | T8 G9 L11 C31 V33 L40 F44 T588 L589 | T8-M614 WeakPolarHBondContact OG1-CG 3.49Å; G9-M614 WeakPolarHBondContact O-CG 3.43Å; L11-M614 HydrophobicContact CD2-CE 3.74Å; L11-M614 HydrophobicContact CG-CE 3.75Å; C31-M614 HydrophobicContact CB-CE 3.93Å; C31-M614 HydrophobicContact CB-SD 4.04Å; V33-M614 HydrophobicContact CG2-CE 3.95Å; L40-M614 HydrophobicContact CD1-CG 4.48Å; L40-M614 HydrophobicContact CD1-SD 3.9Å; F44-M614 HydrophobicContact CE1-CB 4.45Å; T588-M614 WeakPolarHBondContact CA-O 3.35Å; T588-M614 WeakPolarHBondContact CB-O 3.3Å; L589-M614 HydrophobicContact CB-CB 4.14Å; L589-M614 HydrophobicContact CB-CE 4.47Å; L589-M614 HydrophobicContact CD1-SD 4.18Å; L589-M614 PolarHBondContact N-O 3.24Å; L589-M614 VanDerWaalsContact N-O 3.15Å; L589-M614 PolarHBondContact O-N 3.24Å |
| 615 | C | 87.4 | Confident | 87.7 | Confident | 35 Ų | 35 | 49 Ų | 49 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | trans | -151.1 | 167.2 | 179.9 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | I7 G9 T588 R613 E697 | I7-C615 WeakPolarHBondContact CG2-O 3.22Å; G9-C615 VanDerWaalsContact C-C 3.45Å; G9-C615 CarbonylContact C-O 3.34Å; G9-C615 VanDerWaalsContact C-O 3.25Å; G9-C615 VanDerWaalsContact CA-O 3.3Å; G9-C615 WeakPolarHBondContact CA-O 3.06Å; G9-C615 PolarHBondContact N-O 3Å; G9-C615 CarbonylContact O-C 3.57Å; G9-C615 VanDerWaalsContact O-C 3.25Å; G9-C615 WeakPolarHBondContact O-CA 2.98Å; G9-C615 PolarHBondContact O-N 3.16Å; T588-C615 HydrophobicContact CG2-CB 3.52Å; T588-C615 VanDerWaalsContact CG2-CB 3.43Å; R613-C615 HydrophobicContact CG-CB 4.26Å; C615-E697 VanDerWaalsContact CB-OE2 3.28Å; C615-E697 WeakPolarHBondContact CB-OE2 3.43Å; C615-E697 PolarHBondContact SG-OE2 3.14Å | ||
| 616 | G | 87.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | 144.2 | -169 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A10 I679 R700 | A10-G616 WeakPolarHBondContact CB-O 3.33Å; A10-G616 PolarHBondContact N-O 3.05Å; A10-G616 VanDerWaalsContact N-O 3.17Å; G616-I679 VanDerWaalsContact C-CD1 3.47Å; G616-R700 VanDerWaalsContact O-CZ 3.25Å; G616-R700 PolarHBondContact O-NH1 3.08Å; G616-R700 PolarHBondContact O-NH2 2.93Å | ||
| 617 | H | 87.1 | Confident | 87.7 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 11% | 0.111 | 23% | 0.232 | C | C | . | . | trans | -71 | 148.5 | 177.7 | -74.7 | -74.9 | 0 | 0 | 0 | 111.7 | G9 A10 F619 V621 T635 S637 E677 I679 | G9-H617 WeakPolarHBondContact CA-O 3.34Å; A10-H617 PolarHBondContact N-O 3.34Å; H617-F619 VanDerWaalsContact C-N 3.32Å; H617-F619 WeakPolarHBondContact CB-O 3.25Å; H617-V621 HydrophobicContact CB-CG2 4.34Å; H617-T635 PolarHBondContact CE1-O 3.05Å; H617-T635 VanDerWaalsContact CE1-O 3.31Å; H617-T635 VanDerWaalsContact NE2-C 3.33Å; H617-T635 VanDerWaalsContact NE2-CB 3.3Å; H617-T635 WeakPolarHBondContact NE2-CB 3.33Å; H617-T635 PolarHBondContact NE2-O 2.97Å; H617-T635 PolarHBondContact NE2-OG1 3.23Å; H617-S637 VanDerWaalsContact CG-CB 3.48Å; H617-S637 VanDerWaalsContact ND1-CB 3.31Å; H617-S637 WeakPolarHBondContact ND1-CB 3.21Å; H617-S637 PolarHBondContact ND1-OG 3Å; H617-E677 WeakPolarHBondContact CA-OE1 3.34Å; H617-E677 WeakPolarHBondContact CB-OE1 3.45Å; H617-E677 IonicContact CG-OE1 3.2Å; H617-E677 WeakPolarHBondContact ND1-CG 3.16Å; H617-E677 IonicContact ND1-OE1 3.43Å; H617-E677 PolarHBondContact ND1-OE1 2.83Å; H617-E677 IonicContact ND1-OE2 3.73Å; H617-I679 VanDerWaalsContact CE1-CD1 3.49Å; H617-I679 WeakPolarHBondContact CE1-CD1 3.33Å; H617-I679 WeakPolarHBondContact NE2-CD1 3.15Å | ||
| 618 | R | 83.3 | Confident | 87.3 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -75.1 | -25.1 | 169.3 | -64.4 | -179.2 | -102.4 | 149.9 | 0.7 | 112.1 | A10 L11 G34 N586 F674 E677 N702 | A10-R618 HydrophobicContact CB-CG 4.14Å; L11-R618 PolarHBondContact O-NE 2.89Å; G34-R618 VanDerWaalsContact CA-O 3.24Å; G34-R618 WeakPolarHBondContact CA-O 3.28Å; G34-R618 PolarHBondContact N-O 2.91Å; N586-R618 PolarHBondContact O-NH2 2.83Å; R618-F674 VanDerWaalsContact NH1-CD2 3.31Å; R618-F674 VanDerWaalsContact NH2-CD2 3.25Å; R618-E677 WeakPolarHBondContact CB-OE1 3.45Å; R618-E677 WeakPolarHBondContact CD-OE1 3.48Å; R618-E677 WeakPolarHBondContact CG-OE1 3.37Å; R618-E677 IonicContact CZ-OE1 2.71Å; R618-E677 PolarHBondContact N-OE1 2.84Å; R618-E677 PolarHBondContact N-OE2 3.15Å; R618-E677 VanDerWaalsContact N-OE2 3.09Å; R618-E677 IonicContact NE-OE1 3.58Å; R618-E677 PolarHBondContact NE-OE1 3.04Å; R618-E677 IonicContact NE-OE2 3.07Å; R618-E677 IonicContact NH1-OE1 3.69Å; R618-E677 PolarHBondContact NH1-OE1 2.83Å; R618-E677 VanDerWaalsContact NH2-CD 3.33Å; R618-E677 IonicContact NH2-OE1 2.59Å; R618-E677 PolarHBondContact NH2-OE1 3.25Å; R618-E677 IonicContact NH2-OE2 3.55Å; R618-N702 PolarHBondContact NH1-OD1 2.81Å; R618-N702 PolarHBondContact NH2-OD1 2.94Å; R618-N702 VanDerWaalsContact NH2-OD1 3.12Å |
| 619 | F | 81.8 | Confident | 86.8 | Confident | 33.3333 Ų | 33.3333 | 47.3 Ų | 47.3 | 15% | 0.146 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -124.4 | 174.4 | -178.1 | -38.3 | -72.2 | 0 | 0 | 0 | 111.8 | Q59 H617 V621 S637 H639 L673 F674 G675 E677 | Q59-F619 HydrophobicContact CG-CE1 4.09Å; H617-F619 VanDerWaalsContact C-N 3.32Å; H617-F619 WeakPolarHBondContact CB-O 3.25Å; F619-V621 PolarHBondContact O-N 3.06Å; F619-S637 WeakPolarHBondContact CA-OG 3.25Å; F619-S637 VanDerWaalsContact CB-OG 3.27Å; F619-S637 WeakPolarHBondContact CB-OG 3.3Å; F619-S637 WeakPolarHBondContact O-CB 3.28Å; F619-S637 PolarHBondContact O-OG 2.9Å; F619-H639 HydrophobicContact CB-CB 4.36Å; F619-H639 HydrophobicContact CD1-CB 3.97Å; F619-H639 AromaticContact CD1-CD2 3.62Å; F619-H639 AromaticContact CD1-CG 3.71Å; F619-H639 HydrophobicContact CD2-CB 4.21Å; F619-H639 HydrophobicContact CE1-CB 3.97Å; F619-H639 AromaticContact CE1-CD2 3.64Å; F619-H639 AromaticContact CE1-CG 3.64Å; F619-H639 HydrophobicContact CE2-CB 4.23Å; F619-H639 HydrophobicContact CG-CB 4.08Å; F619-H639 HydrophobicContact CZ-CB 4.11Å; F619-L673 WeakPolarHBondContact CZ-O 3.36Å; F619-F674 HydrophobicContact CE2-CB 4.27Å; F619-F674 WeakPolarHBondContact CZ-O 3.49Å; F619-G675 VanDerWaalsContact CE2-O 3.23Å; F619-G675 WeakPolarHBondContact CE2-O 3.05Å; F619-E677 HydrophobicContact CD2-CG 4.36Å; F619-E677 HydrophobicContact CE2-CG 4.31Å; F619-E677 VanDerWaalsContact CE2-OE1 3.28Å; F619-E677 WeakPolarHBondContact CE2-OE1 3.28Å; F619-E677 PolarHBondContact N-OE1 2.53Å |
| 620 | M | 80.4 | Confident | 86.6 | Confident | 50.3333 Ų | 50.3333 | 45.7 Ų | 45.7 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | trans | -54.6 | 127.4 | -179.3 | -150.2 | -179.6 | -70.5 | 0 | 0 | 112.6 | K622 S637 D1261 | M620-K622 WeakPolarHBondContact O-CG 3.27Å; M620-K622 PolarHBondContact O-N 2.69Å; M620-K622 PolarHBondContact SD-NZ 3.02Å; M620-S637 VanDerWaalsContact O-CA 3.27Å; M620-S637 WeakPolarHBondContact O-CA 3.26Å; M620-S637 WeakPolarHBondContact O-CB 3.45Å; M620-S637 PolarHBondContact O-OG 3.18Å; M620-D1261 WeakPolarHBondContact CA-O 3.46Å; M620-D1261 VanDerWaalsContact CB-O 3.31Å; M620-D1261 WeakPolarHBondContact CB-O 3.27Å; M620-D1261 HydrophobicContact CE-CB 3.74Å; M620-D1261 VanDerWaalsContact CE-OD1 3.31Å; M620-D1261 WeakPolarHBondContact CE-OD1 3.35Å; M620-D1261 WeakPolarHBondContact CG-O 3.49Å; M620-D1261 HydrophobicContact SD-CB 4.21Å | ||
| 621 | V | 84.4 | Confident | 86.5 | Confident | 7.66667 Ų | 7.66667 | 43.2 Ų | 43.2 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131 | 176.9 | -170.9 | 0 | 0 | 0 | 0 | 110 | H617 F619 V624 T635 T636 M1247 | H617-V621 HydrophobicContact CB-CG2 4.34Å; F619-V621 PolarHBondContact O-N 3.06Å; V621-V624 HydrophobicContact CG1-CG2 4.39Å; V621-T635 HydrophobicContact CG1-CG2 4.42Å; V621-T636 WeakPolarHBondContact CA-O 3.17Å; V621-M1247 HydrophobicContact CB-CE 4.16Å; V621-M1247 HydrophobicContact CG1-CE 3.41Å; V621-M1247 VanDerWaalsContact CG1-CE 3.41Å; V621-M1247 HydrophobicContact CG1-CG 4.43Å; V621-M1247 HydrophobicContact CG1-SD 4.38Å |
| 622 | K | 83.1 | Confident | 86.7 | Confident | 70.6667 Ų | 70.6667 | 38.6 Ų | 38.6 | 31% | 0.307 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -41.5 | -174.2 | -67.4 | -70.4 | -172.6 | -172.1 | 0 | 113.4 | M620 T636 H638 N640 | M620-K622 WeakPolarHBondContact O-CG 3.27Å; M620-K622 PolarHBondContact O-N 2.69Å; M620-K622 PolarHBondContact SD-NZ 3.02Å; K622-T636 PolarHBondContact N-O 3.11Å; K622-H638 WeakPolarHBondContact CE-NE2 3.41Å; K622-H638 VanDerWaalsContact CG-CE1 3.49Å; K622-H638 WeakPolarHBondContact CG-CE1 3.28Å; K622-N640 PolarHBondContact NZ-ND2 2.93Å |
| 623 | R | 86.8 | Confident | 87 | Confident | 66.3333 Ų | 66.3333 | 36.3 Ų | 36.3 | 25% | 0.25 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.3 | -177.7 | -168 | 173 | -179.7 | 131 | -1 | 110.8 | T635 T636 N711 V712 M826 M1247 | R623-T635 CarbonylContact O-C 3.46Å; R623-T635 VanDerWaalsContact O-CA 3.3Å; R623-T635 WeakPolarHBondContact O-CA 3.41Å; R623-T636 WeakPolarHBondContact CB-OG1 3.48Å; R623-T636 PolarHBondContact N-OG1 2.89Å; R623-T636 PolarHBondContact O-N 3.17Å; R623-N711 PolarHBondContact NH1-OD1 3.49Å; R623-V712 PolarHBondContact NE-O 2.9Å; R623-V712 PolarHBondContact NH2-O 3.31Å; R623-M826 PolarHBondContact NH2-O 2.99Å; R623-M1247 VanDerWaalsContact CA-CE 3.44Å |
| 624 | V | 90 | Very high | 87.4 | Confident | 20.3333 Ų | 20.3333 | 33.2 Ų | 33.2 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.4 | 165.6 | 169.2 | 0 | 0 | 0 | 0 | 108.4 | V621 F633 L634 T635 M1247 | V621-V624 HydrophobicContact CG1-CG2 4.39Å; V624-F633 HydrophobicContact CG1-CB 4.31Å; V624-F633 HydrophobicContact CG1-CD2 3.82Å; V624-F633 HydrophobicContact CG1-CE2 4.4Å; V624-F633 HydrophobicContact CG1-CG 4.38Å; V624-F633 HydrophobicContact CG2-CD2 4.24Å; V624-F633 HydrophobicContact CG2-CE2 4.38Å; V624-L634 CarbonylContact C-O 3.58Å; V624-L634 VanDerWaalsContact CA-O 3.27Å; V624-L634 WeakPolarHBondContact CA-O 3.45Å; V624-T635 HydrophobicContact CG1-CG2 4.35Å; V624-T635 HydrophobicContact CG2-CG2 3.62Å; V624-T635 VanDerWaalsContact CG2-CG2 3.46Å; V624-M1247 HydrophobicContact CB-CE 3.69Å; V624-M1247 HydrophobicContact CB-SD 3.92Å; V624-M1247 VanDerWaalsContact CB-SD 3.51Å; V624-M1247 HydrophobicContact CG1-CE 4.14Å; V624-M1247 HydrophobicContact CG2-CE 3.42Å; V624-M1247 HydrophobicContact CG2-CG 4.17Å; V624-M1247 HydrophobicContact CG2-SD 3.28Å; V624-M1247 WeakPolarHBondContact CG2-SD 3.35Å; V624-M1247 VanDerWaalsContact N-CE 3.34Å |
| 625 | A | 91.9 | Very high | 87.7 | Confident | 14.6667 Ų | 14.6667 | 28.9 Ų | 28.9 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 105.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | F633 L634 V712 W714 | A625-F633 CarbonylContact O-C 3.53Å; A625-F633 VanDerWaalsContact O-CA 3.31Å; A625-F633 WeakPolarHBondContact O-CA 3.37Å; A625-F633 WeakPolarHBondContact O-CB 3.38Å; A625-L634 HydrophobicContact CB-CB 4.38Å; A625-L634 PolarHBondContact N-O 3.22Å; A625-L634 PolarHBondContact O-N 3.13Å; A625-V712 HydrophobicContact CB-CG1 4.28Å; A625-W714 PolarHBondContact O-NE1 2.98Å |
| 626 | C | 90.7 | Very high | 87.9 | Confident | 31.6667 Ų | 31.6667 | 27.3 Ų | 27.3 | 21% | 0.214 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 137.9 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | F633 W714 S1249 W1250 | C626-F633 HydrophobicContact CB-CB 4.43Å; C626-W714 VanDerWaalsContact C-CD1 3.49Å; C626-W714 VanDerWaalsContact O-CD1 3.27Å; C626-S1249 PolarHBondContact SG-OG 3.47Å; C626-W1250 PolarHBondContact SG-O 3.2Å |
| 627 | H | 90.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | trans | -73 | 137 | 173.9 | -172.9 | -65.2 | 0 | 0 | 0 | 109.2 | I629 L630 L632 W714 S733 | H627-I629 PolarHBondContact ND1-N 3.26Å; H627-I629 PolarHBondContact O-N 2.81Å; H627-L630 HydrophobicContact CB-CB 4.48Å; H627-L630 PolarHBondContact CE1-N 3.08Å; H627-L630 PolarHBondContact ND1-N 3.23Å; H627-L632 HydrophobicContact CB-CB 3.95Å; H627-L632 VanDerWaalsContact CB-O 3.28Å; H627-L632 WeakPolarHBondContact CB-O 3.4Å; H627-L632 PolarHBondContact N-O 2.83Å; H627-W714 HydrophobicContact CB-CD2 4.14Å; H627-W714 HydrophobicContact CB-CG 4.35Å; H627-W714 HydrophobicContact CB-CZ2 4.19Å; H627-W714 AromaticContact CD2-CD2 3.68Å; H627-W714 AromaticContact CD2-CE2 3.99Å; H627-W714 AromaticContact CD2-CE3 3.48Å; H627-W714 VanDerWaalsContact CD2-CE3 3.47Å; H627-W714 AromaticContact CD2-CH2 3.99Å; H627-W714 AromaticContact CD2-CZ3 3.78Å; H627-S733 PolarHBondContact CD2-OG 3.19Å; H627-S733 VanDerWaalsContact CD2-OG 3.3Å; H627-S733 VanDerWaalsContact NE2-CB 3.35Å; H627-S733 WeakPolarHBondContact NE2-CB 3.37Å; H627-S733 PolarHBondContact NE2-OG 3.23Å | ||
| 628 | P | 82.6 | Confident | 87.7 | Confident | 15.3333 Ų | 15.3333 | 26.8 Ų | 26.8 | 10% | 0.1 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -67.3 | -42.4 | -175.6 | 22.7 | -33 | 0 | 0 | 0 | 113.9 | P716 H961 L962 S965 R1252 | P628-P716 HydrophobicContact CG-CB 3.96Å; P628-H961 HydrophobicContact CB-CB 3.65Å; P628-H961 HydrophobicContact CG-CB 4.28Å; P628-L962 HydrophobicContact CB-CG 4.38Å; P628-L962 WeakPolarHBondContact O-CD1 3.47Å; P628-L962 WeakPolarHBondContact O-CD2 3.13Å; P628-S965 PolarHBondContact O-OG 3.43Å; P628-R1252 PolarHBondContact O-NE 3.26Å; P628-R1252 PolarHBondContact O-NH2 3.34Å |
| 629 | I | 81.4 | Confident | 87.3 | Confident | 69 Ų | 69 | 25.2 Ų | 25.2 | 35% | 0.354 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -98.8 | -59.6 | -175.1 | -56.3 | 164.2 | 0 | 0 | 0 | 112.1 | H627 V718 L857 L962 R1252 | H627-I629 PolarHBondContact ND1-N 3.26Å; H627-I629 PolarHBondContact O-N 2.81Å; I629-V718 HydrophobicContact CB-CG2 4.32Å; I629-V718 HydrophobicContact CD1-CG2 4.18Å; I629-V718 HydrophobicContact CG2-CG2 4.23Å; I629-L857 HydrophobicContact CG2-CD2 4.21Å; I629-L962 HydrophobicContact CB-CD1 4.24Å; I629-L962 HydrophobicContact CG1-CD1 3.61Å; I629-L962 HydrophobicContact CG1-CD2 4.33Å; I629-R1252 PolarHBondContact O-NE 3.02Å; I629-R1252 PolarHBondContact O-NH2 2.91Å; I629-R1252 VanDerWaalsContact O-NH2 3.09Å |
| 630 | L | 87.2 | Confident | 86.4 | Confident | 27.6667 Ų | 27.6667 | 27.8 Ų | 27.8 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -72.6 | 152.1 | -176.4 | -59.3 | 174.3 | 0 | 0 | 0 | 112.7 | H627 L632 V718 L750 | H627-L630 HydrophobicContact CB-CB 4.48Å; H627-L630 PolarHBondContact CE1-N 3.08Å; H627-L630 PolarHBondContact ND1-N 3.23Å; L630-L632 HydrophobicContact CB-CB 4.46Å; L630-L632 HydrophobicContact CB-CD1 3.87Å; L630-L632 HydrophobicContact CB-CG 4Å; L630-L632 HydrophobicContact CD1-CD1 3.85Å; L630-L632 HydrophobicContact CG-CD1 4.46Å; L630-L632 PolarHBondContact O-N 2.88Å; L630-V718 HydrophobicContact CD1-CG1 4.38Å; L630-V718 HydrophobicContact CD1-CG2 3.95Å; L630-V718 HydrophobicContact CD2-CG1 4.26Å; L630-V718 HydrophobicContact CD2-CG2 4.02Å; L630-V718 HydrophobicContact CG-CG2 3.84Å; L630-L750 HydrophobicContact CD1-CD1 4.33Å |
| 631 | P | 89.2 | Confident | 85.4 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 25% | 0.247 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -78.3 | 60.6 | 176.3 | 35.3 | -37.4 | 0 | 0 | 0 | 111.5 | V683 R1252 H1253 | P631-V683 HydrophobicContact CB-CB 4.23Å; P631-V683 PolarHBondContact O-N 3.14Å; P631-R1252 HydrophobicContact CB-CB 4.11Å; P631-H1253 WeakPolarHBondContact CB-CE1 3.25Å |
| 632 | L | 91.9 | Very high | 83.6 | Confident | 2.66667 Ų | 2.66667 | 34.2 Ų | 34.2 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.2 | -176.1 | -61.2 | 172.5 | 0 | 0 | 0 | 110.4 | H627 L630 L680 W681 Q682 L698 W714 L750 | H627-L632 HydrophobicContact CB-CB 3.95Å; H627-L632 VanDerWaalsContact CB-O 3.28Å; H627-L632 WeakPolarHBondContact CB-O 3.4Å; H627-L632 PolarHBondContact N-O 2.83Å; L630-L632 HydrophobicContact CB-CB 4.46Å; L630-L632 HydrophobicContact CB-CD1 3.87Å; L630-L632 HydrophobicContact CB-CG 4Å; L630-L632 HydrophobicContact CD1-CD1 3.85Å; L630-L632 HydrophobicContact CG-CD1 4.46Å; L630-L632 PolarHBondContact O-N 2.88Å; L632-L680 HydrophobicContact CB-CD1 4.49Å; L632-L680 HydrophobicContact CD2-CD1 4.39Å; L632-W681 VanDerWaalsContact CA-O 3.32Å; L632-W681 WeakPolarHBondContact CA-O 3.27Å; L632-W681 WeakPolarHBondContact CD2-O 3.39Å; L632-Q682 HydrophobicContact CD2-CB 4.26Å; L632-Q682 HydrophobicContact CD2-CG 4.37Å; L632-L698 HydrophobicContact CD2-CD1 3.89Å; L632-W714 HydrophobicContact CB-CZ2 4.35Å; L632-W714 HydrophobicContact CD1-CH2 4.32Å; L632-L750 HydrophobicContact CD1-CD1 4.03Å; L632-L750 HydrophobicContact CD1-CD2 3.58Å; L632-L750 HydrophobicContact CD1-CG 4.22Å; L632-L750 HydrophobicContact CD2-CD2 3.68Å; L632-L750 HydrophobicContact CD2-CG 4.16Å; L632-L750 HydrophobicContact CG-CD2 4.06Å; L632-L750 HydrophobicContact CG-CG 4.49Å |
| 633 | F | 94.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 156.7 | 166.3 | 67.6 | -80.2 | 0 | 0 | 0 | 111.8 | V624 A625 C626 T635 W681 V683 V695 V1251 V1257 M1264 | V624-F633 HydrophobicContact CG1-CB 4.31Å; V624-F633 HydrophobicContact CG1-CD2 3.82Å; V624-F633 HydrophobicContact CG1-CE2 4.4Å; V624-F633 HydrophobicContact CG1-CG 4.38Å; V624-F633 HydrophobicContact CG2-CD2 4.24Å; V624-F633 HydrophobicContact CG2-CE2 4.38Å; A625-F633 CarbonylContact O-C 3.53Å; A625-F633 VanDerWaalsContact O-CA 3.31Å; A625-F633 WeakPolarHBondContact O-CA 3.37Å; A625-F633 WeakPolarHBondContact O-CB 3.38Å; C626-F633 HydrophobicContact CB-CB 4.43Å; F633-T635 HydrophobicContact CD2-CG2 3.78Å; F633-T635 HydrophobicContact CE2-CG2 3.54Å; F633-T635 VanDerWaalsContact CE2-CG2 3.4Å; F633-W681 HydrophobicContact CD1-CB 3.73Å; F633-W681 HydrophobicContact CD2-CB 4.24Å; F633-W681 AromaticContact CD2-CD1 3.88Å; F633-W681 HydrophobicContact CD2-CG 4.3Å; F633-W681 HydrophobicContact CE1-CB 3.43Å; F633-W681 VanDerWaalsContact CE1-CB 3.46Å; F633-W681 HydrophobicContact CE1-CG 4.08Å; F633-W681 HydrophobicContact CE2-CB 4Å; F633-W681 AromaticContact CE2-CD1 3.56Å; F633-W681 AromaticContact CE2-CG 3.81Å; F633-W681 HydrophobicContact CE2-CG 3.81Å; F633-W681 HydrophobicContact CG-CB 4.15Å; F633-W681 HydrophobicContact CZ-CB 3.6Å; F633-W681 AromaticContact CZ-CD1 3.92Å; F633-W681 HydrophobicContact CZ-CD2 4.38Å; F633-W681 AromaticContact CZ-CG 3.71Å; F633-W681 HydrophobicContact CZ-CG 3.71Å; F633-W681 PolarHBondContact N-O 3.17Å; F633-W681 VanDerWaalsContact N-O 3.1Å; F633-W681 PolarHBondContact O-N 3.35Å; F633-V683 HydrophobicContact CD1-CG2 3.65Å; F633-V683 HydrophobicContact CE1-CG2 3.64Å; F633-V695 HydrophobicContact CE1-CB 4.35Å; F633-V695 HydrophobicContact CE1-CG1 3.7Å; F633-V695 HydrophobicContact CE1-CG2 3.81Å; F633-V695 HydrophobicContact CZ-CB 4.39Å; F633-V695 HydrophobicContact CZ-CG1 3.55Å; F633-V695 VanDerWaalsContact CZ-CG1 3.5Å; F633-V695 HydrophobicContact CZ-CG2 3.97Å; F633-V1251 HydrophobicContact CB-CG1 4.19Å; F633-V1251 HydrophobicContact CB-CG2 4.34Å; F633-V1251 HydrophobicContact CD1-CB 4.47Å; F633-V1251 HydrophobicContact CD1-CG1 3.8Å; F633-V1251 HydrophobicContact CD1-CG2 3.85Å; F633-V1251 HydrophobicContact CE1-CG1 4.17Å; F633-V1251 HydrophobicContact CE1-CG2 4.23Å; F633-V1251 HydrophobicContact CG-CG1 4.16Å; F633-V1251 HydrophobicContact CG-CG2 4.06Å; F633-V1257 HydrophobicContact CE1-CG2 4.44Å; F633-V1257 HydrophobicContact CE2-CG1 4.35Å; F633-V1257 HydrophobicContact CE2-CG2 4.26Å; F633-V1257 HydrophobicContact CZ-CG2 4.06Å; F633-M1264 HydrophobicContact CE2-SD 4.41Å; F633-M1264 HydrophobicContact CZ-CE 4.46Å |
| 634 | L | 95.2 | Very high | 79.7 | Confident | 0.666667 Ų | 0.666667 | 38.2 Ų | 38.2 | 0% | 0.003 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146 | 173.9 | -61.9 | 170.3 | 0 | 0 | 0 | 108.9 | V624 A625 L678 I679 L680 V712 W714 F735 | V624-L634 CarbonylContact C-O 3.58Å; V624-L634 VanDerWaalsContact CA-O 3.27Å; V624-L634 WeakPolarHBondContact CA-O 3.45Å; A625-L634 HydrophobicContact CB-CB 4.38Å; A625-L634 PolarHBondContact N-O 3.22Å; A625-L634 PolarHBondContact O-N 3.13Å; L634-L678 HydrophobicContact CD2-CD2 3.88Å; L634-L678 HydrophobicContact CD2-CG 4.44Å; L634-I679 WeakPolarHBondContact CA-O 3.35Å; L634-L680 HydrophobicContact CD2-CB 3.91Å; L634-L680 HydrophobicContact CD2-CD1 3.66Å; L634-L680 HydrophobicContact CD2-CG 4.34Å; L634-V712 HydrophobicContact CB-CG1 4.37Å; L634-V712 HydrophobicContact CD1-CG1 3.46Å; L634-V712 VanDerWaalsContact CD1-CG1 3.46Å; L634-W714 HydrophobicContact CD1-CD2 4.28Å; L634-W714 HydrophobicContact CD1-CH2 4.18Å; L634-W714 HydrophobicContact CD1-CZ2 3.7Å; L634-W714 HydrophobicContact CD2-CH2 4.24Å; L634-W714 HydrophobicContact CD2-CZ2 3.98Å; L634-W714 HydrophobicContact CG-CH2 4.17Å; L634-W714 HydrophobicContact CG-CZ2 3.44Å; L634-W714 VanDerWaalsContact CG-CZ2 3.44Å; L634-F735 HydrophobicContact CD1-CB 3.88Å; L634-F735 HydrophobicContact CD1-CD1 3.85Å; L634-F735 HydrophobicContact CD1-CD2 3.64Å; L634-F735 HydrophobicContact CD1-CE1 4.23Å; L634-F735 HydrophobicContact CD1-CE2 4.05Å; L634-F735 HydrophobicContact CD1-CG 3.52Å; L634-F735 VanDerWaalsContact CD1-CG 3.46Å; L634-F735 HydrophobicContact CD1-CZ 4.31Å; L634-F735 HydrophobicContact CD2-CE1 4.38Å; L634-F735 HydrophobicContact CD2-CZ 4.3Å |
| 635 | T | 94.1 | Very high | 77.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.1 | 170.3 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | H617 V621 R623 V624 F633 L678 I679 W681 M1264 | H617-T635 PolarHBondContact CE1-O 3.05Å; H617-T635 VanDerWaalsContact CE1-O 3.31Å; H617-T635 VanDerWaalsContact NE2-C 3.33Å; H617-T635 VanDerWaalsContact NE2-CB 3.3Å; H617-T635 WeakPolarHBondContact NE2-CB 3.33Å; H617-T635 PolarHBondContact NE2-O 2.97Å; H617-T635 PolarHBondContact NE2-OG1 3.23Å; V621-T635 HydrophobicContact CG1-CG2 4.42Å; R623-T635 CarbonylContact O-C 3.46Å; R623-T635 VanDerWaalsContact O-CA 3.3Å; R623-T635 WeakPolarHBondContact O-CA 3.41Å; V624-T635 HydrophobicContact CG1-CG2 4.35Å; V624-T635 HydrophobicContact CG2-CG2 3.62Å; V624-T635 VanDerWaalsContact CG2-CG2 3.46Å; F633-T635 HydrophobicContact CD2-CG2 3.78Å; F633-T635 HydrophobicContact CE2-CG2 3.54Å; F633-T635 VanDerWaalsContact CE2-CG2 3.4Å; T635-L678 WeakPolarHBondContact O-CA 3.41Å; T635-I679 PolarHBondContact N-O 3.22Å; T635-I679 PolarHBondContact O-N 3.13Å; T635-I679 PolarHBondContact OG1-O 3.22Å; T635-W681 VanDerWaalsContact CG2-NE1 3.35Å; T635-W681 PolarHBondContact OG1-NE1 3.01Å; T635-M1264 HydrophobicContact CG2-SD 3.98Å |
| 636 | T | 92.4 | Very high | 75.1 | Confident | 1.66667 Ų | 1.66667 | 48.9 Ų | 48.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.1 | 179.3 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | V621 K622 R623 E677 L678 F709 V712 | V621-T636 WeakPolarHBondContact CA-O 3.17Å; K622-T636 PolarHBondContact N-O 3.11Å; R623-T636 WeakPolarHBondContact CB-OG1 3.48Å; R623-T636 PolarHBondContact N-OG1 2.89Å; R623-T636 PolarHBondContact O-N 3.17Å; T636-E677 VanDerWaalsContact CA-O 3.26Å; T636-E677 WeakPolarHBondContact CA-O 3.3Å; T636-L678 HydrophobicContact CG2-CB 4.42Å; T636-L678 HydrophobicContact CG2-CD1 4.18Å; T636-L678 HydrophobicContact CG2-CG 4.32Å; T636-F709 WeakPolarHBondContact CB-O 3.38Å; T636-F709 HydrophobicContact CG2-CB 3.92Å; T636-F709 VanDerWaalsContact CG2-O 3.27Å; T636-F709 WeakPolarHBondContact CG2-O 3.39Å; T636-F709 PolarHBondContact OG1-O 3.28Å; T636-F709 VanDerWaalsContact OG1-O 3.08Å; T636-V712 HydrophobicContact CG2-CB 4.43Å; T636-V712 HydrophobicContact CG2-CG2 3.55Å |
| 637 | S | 88.2 | Confident | 72.8 | Confident | 0.333333 Ų | 0.333333 | 52 Ų | 52 | 0% | 0.002 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.4 | 177.9 | 154 | 0 | 0 | 0 | 0 | 110.6 | H617 F619 M620 S676 E677 | H617-S637 VanDerWaalsContact CG-CB 3.48Å; H617-S637 VanDerWaalsContact ND1-CB 3.31Å; H617-S637 WeakPolarHBondContact ND1-CB 3.21Å; H617-S637 PolarHBondContact ND1-OG 3Å; F619-S637 WeakPolarHBondContact CA-OG 3.25Å; F619-S637 VanDerWaalsContact CB-OG 3.27Å; F619-S637 WeakPolarHBondContact CB-OG 3.3Å; F619-S637 WeakPolarHBondContact O-CB 3.28Å; F619-S637 PolarHBondContact O-OG 2.9Å; M620-S637 VanDerWaalsContact O-CA 3.27Å; M620-S637 WeakPolarHBondContact O-CA 3.26Å; M620-S637 WeakPolarHBondContact O-CB 3.45Å; M620-S637 PolarHBondContact O-OG 3.18Å; S637-S676 CarbonylContact O-C 3.52Å; S637-S676 VanDerWaalsContact O-CA 3.3Å; S637-S676 WeakPolarHBondContact O-CA 3.38Å; S637-E677 PolarHBondContact N-O 3.12Å; S637-E677 PolarHBondContact O-N 3.09Å |
| 638 | H | 81.8 | Confident | 70.6 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 148.8 | 176.2 | 24.9 | -88.5 | 0 | 0 | 0 | 111.4 | K622 N640 G675 S676 A708 S710 | K622-H638 WeakPolarHBondContact CE-NE2 3.41Å; K622-H638 VanDerWaalsContact CG-CE1 3.49Å; K622-H638 WeakPolarHBondContact CG-CE1 3.28Å; H638-N640 PolarHBondContact CD2-OD1 3.16Å; H638-G675 CarbonylContact C-O 3.49Å; H638-G675 VanDerWaalsContact CA-O 3.26Å; H638-G675 WeakPolarHBondContact CA-O 3.36Å; H638-S676 VanDerWaalsContact CB-OG 3.29Å; H638-S676 WeakPolarHBondContact CB-OG 3.47Å; H638-S676 WeakPolarHBondContact ND1-CB 3.27Å; H638-S676 PolarHBondContact ND1-OG 3.15Å; H638-A708 PolarHBondContact CE1-O 2.87Å; H638-S710 PolarHBondContact CE1-N 2.91Å; H638-S710 VanDerWaalsContact NE2-CA 3.32Å; H638-S710 WeakPolarHBondContact NE2-CA 3.29Å |
| 639 | H | 75 | Confident | 68.7 | Low | 45 Ų | 45 | 62.3 Ų | 62.3 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | trans | -90.3 | 118.9 | 178.3 | -171.2 | -101.4 | 0 | 0 | 0 | 111.5 | C35 F57 Q59 F619 V641 F674 G675 L706 | C35-H639 PolarHBondContact SG-NE2 2.76Å; F57-H639 PolarHBondContact O-NE2 3.5Å; Q59-H639 WeakPolarHBondContact CG-CE1 3.49Å; Q59-H639 PolarHBondContact NE2-CE1 2.9Å; Q59-H639 VanDerWaalsContact NE2-CE1 3.27Å; Q59-H639 PolarHBondContact NE2-ND1 2.86Å; F619-H639 HydrophobicContact CB-CB 4.36Å; F619-H639 HydrophobicContact CD1-CB 3.97Å; F619-H639 AromaticContact CD1-CD2 3.62Å; F619-H639 AromaticContact CD1-CG 3.71Å; F619-H639 HydrophobicContact CD2-CB 4.21Å; F619-H639 HydrophobicContact CE1-CB 3.97Å; F619-H639 AromaticContact CE1-CD2 3.64Å; F619-H639 AromaticContact CE1-CG 3.64Å; F619-H639 HydrophobicContact CE2-CB 4.23Å; F619-H639 HydrophobicContact CG-CB 4.08Å; F619-H639 HydrophobicContact CZ-CB 4.11Å; H639-V641 WeakPolarHBondContact CE1-CB 3.41Å; H639-V641 WeakPolarHBondContact CE1-CG2 3.45Å; H639-V641 WeakPolarHBondContact ND1-CG2 3.38Å; H639-V641 PolarHBondContact ND1-N 3.28Å; H639-V641 WeakPolarHBondContact NE2-CG2 3.39Å; H639-V641 PolarHBondContact O-N 3.05Å; H639-F674 HydrophobicContact CB-CD1 4.12Å; H639-F674 AromaticContact CD2-CD1 3.53Å; H639-F674 AromaticContact CD2-CE1 3.73Å; H639-F674 AromaticContact CE1-CD1 3.65Å; H639-F674 AromaticContact CE1-CE1 3.49Å; H639-F674 VanDerWaalsContact CE1-CE1 3.49Å; H639-F674 WeakPolarHBondContact CE1-CE1 3.38Å; H639-F674 AromaticContact CG-CD1 3.44Å; H639-F674 VanDerWaalsContact CG-CD1 3.44Å; H639-F674 AromaticContact ND1-CD1 3.52Å; H639-F674 AromaticContact ND1-CE1 3.88Å; H639-F674 AromaticContact NE2-CD1 3.67Å; H639-F674 AromaticContact NE2-CE1 3.4Å; H639-F674 WeakPolarHBondContact NE2-CE1 2.98Å; H639-G675 PolarHBondContact N-O 2.83Å; H639-L706 HydrophobicContact CB-CD2 4.33Å; H639-L706 VanDerWaalsContact O-CD2 3.25Å; H639-L706 WeakPolarHBondContact O-CD2 3.44Å | ||
| 640 | N | 64.1 | Low | 66.9 | Low | 88.6667 Ų | 88.6667 | 63.8 Ų | 63.8 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | trans | -87.7 | 49.1 | -179.2 | -72.4 | -30.6 | 0 | 0 | 0 | 112.8 | K622 H638 R642 | K622-N640 PolarHBondContact NZ-ND2 2.93Å; H638-N640 PolarHBondContact CD2-OD1 3.16Å; N640-R642 PolarHBondContact O-N 3.15Å | ||
| 641 | V | 58.2 | Low | 64.9 | Low | 57.3333 Ų | 57.3333 | 65.4 Ų | 65.4 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | trans | -81.2 | 125.4 | 172.4 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | F57 H639 R643 F674 L1101 | F57-V641 WeakPolarHBondContact O-CG2 3.44Å; H639-V641 WeakPolarHBondContact CE1-CB 3.41Å; H639-V641 WeakPolarHBondContact CE1-CG2 3.45Å; H639-V641 WeakPolarHBondContact ND1-CG2 3.38Å; H639-V641 PolarHBondContact ND1-N 3.28Å; H639-V641 WeakPolarHBondContact NE2-CG2 3.39Å; H639-V641 PolarHBondContact O-N 3.05Å; V641-R643 VanDerWaalsContact C-N 3.32Å; V641-R643 PolarHBondContact O-N 3.03Å; V641-F674 HydrophobicContact CG2-CB 4.4Å; V641-F674 HydrophobicContact CG2-CD1 3.63Å; V641-F674 HydrophobicContact CG2-CD2 4.14Å; V641-F674 HydrophobicContact CG2-CE1 3.82Å; V641-F674 HydrophobicContact CG2-CE2 4.32Å; V641-F674 HydrophobicContact CG2-CG 3.78Å; V641-F674 HydrophobicContact CG2-CZ 4.16Å; V641-L1101 HydrophobicContact CG1-CD2 4.26Å | ||
| 642 | R | 46.9 | Very low | 62.9 | Low | 133.333 Ų | 133.333 | 69.9 Ų | 69.9 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | trans | -67.4 | 99.1 | 167.5 | -74.6 | -179.6 | 171.2 | -166.6 | 0.7 | 108.4 | N640 K644 L1101 W1102 E1103 | N640-R642 PolarHBondContact O-N 3.15Å; R642-K644 PolarHBondContact O-N 3.22Å; R642-L1101 WeakPolarHBondContact CB-O 3.43Å; R642-L1101 WeakPolarHBondContact CD-O 3.47Å; R642-L1101 PolarHBondContact NH1-O 3Å; R642-W1102 VanDerWaalsContact CD-CE3 3.46Å; R642-W1102 HydrophobicContact CG-CE3 4.34Å; R642-W1102 HydrophobicContact CG-CH2 4.48Å; R642-W1102 HydrophobicContact CG-CZ3 4.16Å; R642-W1102 VanDerWaalsContact NE-CZ3 3.26Å; R642-W1102 VanDerWaalsContact NH1-CA 3.33Å; R642-E1103 VanDerWaalsContact CZ-O 3.27Å; R642-E1103 VanDerWaalsContact NH1-N 3.18Å; R642-E1103 PolarHBondContact NH1-O 2.88Å; R642-E1103 PolarHBondContact NH2-O 2.61Å | ||
| 643 | R | 44.6 | Very low | 60.7 | Low | 108 Ų | 108 | 74.9 Ų | 74.9 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 18.3 | 176.9 | -74.4 | -175.4 | 177.5 | 152.6 | 0.9 | 114.4 | V641 K645 F646 P704 L706 | V641-R643 VanDerWaalsContact C-N 3.32Å; V641-R643 PolarHBondContact O-N 3.03Å; R643-K645 VanDerWaalsContact C-N 3.27Å; R643-K645 PolarHBondContact O-N 3.14Å; R643-F646 PolarHBondContact O-N 3.4Å; R643-P704 PolarHBondContact NH1-O 2.98Å; R643-P704 PolarHBondContact NH2-O 3Å; R643-L706 HydrophobicContact CG-CD1 4.4Å |
| 644 | K | 43 | Very low | 58.4 | Low | 113.333 Ų | 113.333 | 82.1 Ų | 82.1 | 49% | 0.493 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -25.7 | -175.7 | -84.8 | -166.2 | 175.1 | -170.6 | 0 | 115.3 | R642 L1101 E1103 D1104 | R642-K644 PolarHBondContact O-N 3.22Å; K644-L1101 HydrophobicContact CB-CD2 3.86Å; K644-L1101 HydrophobicContact CD-CD2 4.45Å; K644-E1103 PolarHBondContact NZ-O 3.22Å; K644-E1103 IonicContact NZ-OE2 2.7Å; K644-E1103 PolarHBondContact NZ-OE2 3.42Å; K644-D1104 IonicContact NZ-OD1 2.77Å; K644-D1104 PolarHBondContact NZ-OD1 3.43Å |
| 645 | K | 42.1 | Very low | 56 | Low | 151.667 Ų | 151.667 | 90.3 Ų | 90.3 | 66% | 0.659 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -75.2 | -32.7 | 176.7 | -84.6 | -168.6 | 174.3 | -173.5 | 0 | 113.9 | R643 E649 | R643-K645 VanDerWaalsContact C-N 3.27Å; R643-K645 PolarHBondContact O-N 3.14Å; K645-E649 PolarHBondContact O-N 3.23Å |
| 646 | F | 43 | Very low | 53.6 | Low | 107.667 Ų | 107.667 | 98.5 Ų | 98.5 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -80.8 | -37.3 | -175 | -97.5 | -81.3 | 0 | 0 | 0 | 113.6 | Y77 R643 H648 E649 Q650 M666 | Y77-F646 AromaticContact CE2-CE2 3.87Å; Y77-F646 HydrophobicContact CE2-CE2 3.87Å; Y77-F646 HydrophobicContact CE2-CZ 4.13Å; Y77-F646 AromaticContact CZ-CE2 3.76Å; Y77-F646 VanDerWaalsContact OH-CE2 3.22Å; Y77-F646 WeakPolarHBondContact OH-CE2 3.47Å; Y77-F646 WeakPolarHBondContact OH-CZ 3.36Å; R643-F646 PolarHBondContact O-N 3.4Å; F646-H648 VanDerWaalsContact C-N 3.3Å; F646-H648 PolarHBondContact O-N 2.86Å; F646-E649 PolarHBondContact O-N 2.86Å; F646-Q650 PolarHBondContact O-N 3.07Å; F646-Q650 VanDerWaalsContact O-N 3.13Å; F646-M666 HydrophobicContact CE1-CE 4.4Å; F646-M666 HydrophobicContact CE2-CE 4.13Å; F646-M666 HydrophobicContact CZ-CE 3.51Å |
| 647 | D | 42.9 | Very low | 51.1 | Low | 97.6667 Ų | 97.6667 | 104.8 Ų | 104.8 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.2 | -31.8 | -177.1 | -63.1 | -25.1 | 0 | 0 | 0 | 112.1 | S651 | D647-S651 WeakPolarHBondContact O-CB 3.44Å; D647-S651 PolarHBondContact O-N 3.25Å; D647-S651 VanDerWaalsContact O-N 3.11Å; D647-S651 PolarHBondContact O-OG 3.17Å |
| 648 | H | 43.8 | Very low | 48.7 | Very low | 120.667 Ų | 120.667 | 113.8 Ų | 113.8 | 56% | 0.559 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.9 | -34.8 | 177.9 | -102.3 | -51.8 | 0 | 0 | 0 | 113.2 | F646 S651 Q652 | F646-H648 VanDerWaalsContact C-N 3.3Å; F646-H648 PolarHBondContact O-N 2.86Å; H648-S651 WeakPolarHBondContact CA-OG 3.35Å; H648-S651 PolarHBondContact O-N 2.91Å; H648-S651 PolarHBondContact O-OG 3Å; H648-Q652 PolarHBondContact O-N 3.33Å |
| 649 | E | 44.1 | Very low | 46.5 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 54% | 0.542 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.5 | -36.5 | 176.2 | -70.6 | -179.1 | 175.9 | 0 | 0 | 111.7 | K645 F646 Q652 Q653 | K645-E649 PolarHBondContact O-N 3.23Å; F646-E649 PolarHBondContact O-N 2.86Å; E649-Q652 PolarHBondContact O-N 3.25Å; E649-Q653 WeakPolarHBondContact O-CB 3.21Å; E649-Q653 WeakPolarHBondContact O-CG 3.3Å; E649-Q653 PolarHBondContact O-N 3.26Å; E649-Q653 VanDerWaalsContact O-N 3.1Å |
| 650 | Q | 43.8 | Very low | 44.7 | Very low | 98.6667 Ų | 98.6667 | 125.5 Ų | 125.5 | 46% | 0.461 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.5 | -37.3 | 175.2 | -75.2 | -170.6 | 14.3 | 0 | 0 | 113.1 | F646 Q653 Q654 | F646-Q650 PolarHBondContact O-N 3.07Å; F646-Q650 VanDerWaalsContact O-N 3.13Å; Q650-Q653 PolarHBondContact O-N 3.28Å; Q650-Q654 WeakPolarHBondContact O-CB 3.46Å; Q650-Q654 WeakPolarHBondContact O-CG 3.38Å; Q650-Q654 PolarHBondContact O-N 3.44Å |
| 651 | S | 44.8 | Very low | 43.2 | Very low | 63 Ų | 63 | 130.9 Ų | 130.9 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.7 | -38.3 | 177.2 | 11.9 | 0 | 0 | 0 | 0 | 111.9 | D647 H648 Q654 E655 | D647-S651 WeakPolarHBondContact O-CB 3.44Å; D647-S651 PolarHBondContact O-N 3.25Å; D647-S651 VanDerWaalsContact O-N 3.11Å; D647-S651 PolarHBondContact O-OG 3.17Å; H648-S651 WeakPolarHBondContact CA-OG 3.35Å; H648-S651 PolarHBondContact O-N 2.91Å; H648-S651 PolarHBondContact O-OG 3Å; S651-Q654 PolarHBondContact O-N 3.18Å; S651-E655 PolarHBondContact O-N 3.24Å |
| 652 | Q | 46.8 | Very low | 42.1 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 62% | 0.617 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.9 | -31.4 | 174.6 | -71.2 | -175.9 | 5 | 0 | 0 | 113.3 | H648 E649 E655 Q656 | H648-Q652 PolarHBondContact O-N 3.33Å; E649-Q652 PolarHBondContact O-N 3.25Å; Q652-E655 PolarHBondContact O-N 2.84Å; Q652-Q656 PolarHBondContact O-N 3.47Å |
| 653 | Q | 46.4 | Very low | 41.4 | Very low | 107 Ų | 107 | 133 Ų | 133 | 50% | 0.5 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.9 | -32.1 | 175.8 | -73.8 | 177.6 | 14.4 | 0 | 0 | 112.8 | E649 Q650 E655 Q656 Q657 | E649-Q653 WeakPolarHBondContact O-CB 3.21Å; E649-Q653 WeakPolarHBondContact O-CG 3.3Å; E649-Q653 PolarHBondContact O-N 3.26Å; E649-Q653 VanDerWaalsContact O-N 3.1Å; Q650-Q653 PolarHBondContact O-N 3.28Å; Q653-E655 VanDerWaalsContact C-N 3.31Å; Q653-E655 PolarHBondContact O-N 3.21Å; Q653-Q656 PolarHBondContact O-N 3Å; Q653-Q656 VanDerWaalsContact O-N 3.16Å; Q653-Q657 WeakPolarHBondContact O-CB 3.47Å; Q653-Q657 PolarHBondContact O-N 3.09Å |
| 654 | Q | 44.5 | Very low | 40.8 | Very low | 150.667 Ų | 150.667 | 132.9 Ų | 132.9 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.7 | -29.8 | 175.7 | -80.3 | -174.9 | -0.3 | 0 | 0 | 113.3 | Q650 S651 Q656 | Q650-Q654 WeakPolarHBondContact O-CB 3.46Å; Q650-Q654 WeakPolarHBondContact O-CG 3.38Å; Q650-Q654 PolarHBondContact O-N 3.44Å; S651-Q654 PolarHBondContact O-N 3.18Å; Q654-Q656 VanDerWaalsContact C-N 3.34Å; Q654-Q656 PolarHBondContact O-N 3.48Å |
| 655 | E | 45.7 | Very low | 40.4 | Very low | 173.667 Ų | 173.667 | 136.5 Ų | 136.5 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -77.2 | -19.2 | 174 | -74.4 | -172.4 | 161.7 | 0 | 0 | 113.7 | S651 Q652 Q653 | S651-E655 PolarHBondContact O-N 3.24Å; Q652-E655 PolarHBondContact O-N 2.84Å; Q653-E655 VanDerWaalsContact C-N 3.31Å; Q653-E655 PolarHBondContact O-N 3.21Å |
| 656 | Q | 44.2 | Very low | 39.9 | Very low | 171.333 Ų | 171.333 | 135.8 Ų | 135.8 | 80% | 0.801 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -107.4 | -5.9 | -179.1 | -68.9 | -173.2 | 11.1 | 0 | 0 | 115.4 | Q652 Q653 Q654 | Q652-Q656 PolarHBondContact O-N 3.47Å; Q653-Q656 PolarHBondContact O-N 3Å; Q653-Q656 VanDerWaalsContact O-N 3.16Å; Q654-Q656 VanDerWaalsContact C-N 3.34Å; Q654-Q656 PolarHBondContact O-N 3.48Å |
| 657 | Q | 39.5 | Very low | 39.7 | Very low | 134.333 Ų | 134.333 | 135.4 Ų | 135.4 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | trans | -109.9 | 42.1 | -178.5 | -76.2 | -178 | 0.9 | 0 | 0 | 114.3 | Q653 Q659 | Q653-Q657 WeakPolarHBondContact O-CB 3.47Å; Q653-Q657 PolarHBondContact O-N 3.09Å; Q657-Q659 VanDerWaalsContact C-N 3.28Å; Q657-Q659 PolarHBondContact O-N 3.3Å; Q657-Q659 VanDerWaalsContact O-N 3.08Å | ||
| 658 | Q | 37.9 | Very low | 39.5 | Very low | 189.333 Ų | 189.333 | 139.3 Ų | 139.3 | 89% | 0.885 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -79.4 | 6.2 | 162 | -107.1 | -179.9 | 36.2 | 0 | 0 | 113.9 | ||
| 659 | Q | 35.7 | Very low | 39.3 | Very low | 170.667 Ų | 170.667 | 136.6 Ų | 136.6 | 80% | 0.798 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -143.5 | 97.1 | 173.6 | -75.8 | 178.1 | 0.9 | 0 | 0 | 110.9 | Q657 | Q657-Q659 VanDerWaalsContact C-N 3.28Å; Q657-Q659 PolarHBondContact O-N 3.3Å; Q657-Q659 VanDerWaalsContact O-N 3.08Å |
| 660 | N | 36.6 | Very low | 39.1 | Very low | 150.667 Ų | 150.667 | 136.2 Ų | 136.2 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | trans | 146.3 | 95.2 | 150.4 | -79.5 | -22.5 | 0 | 0 | 0 | 113.3 | V662 | N660-V662 PolarHBondContact O-N 3.08Š| ||
| 661 | E | 32.3 | Very low | 39.2 | Very low | 201.667 Ų | 201.667 | 135.3 Ų | 135.3 | 94% | 0.942 | 70% | 0.702 | S | S | * | * | trans | -70.5 | 95 | 164.4 | -69.8 | -179.1 | 143 | 0 | 0 | 110.7 | ||||
| 662 | V | 35 | Very low | 39.5 | Very low | 125.333 Ų | 125.333 | 138.6 Ų | 138.6 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | trans | -139.1 | 99.5 | 156.7 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | N660 S664 | N660-V662 PolarHBondContact O-N 3.08Å; V662-S664 PolarHBondContact O-N 2.85Å; V662-S664 VanDerWaalsContact O-N 3.1Å | ||
| 663 | S | 32.9 | Very low | 40.1 | Very low | 110.667 Ų | 110.667 | 136.5 Ų | 136.5 | 77% | 0.774 | 70% | 0.703 | S | S | * | * | trans | -18.4 | 99.3 | 165.2 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | E665 | S663-E665 VanDerWaalsContact C-N 3.26Å; S663-E665 PolarHBondContact O-N 3.23Å | ||
| 664 | S | 32.6 | Very low | 41.1 | Very low | 105.667 Ų | 105.667 | 133.7 Ų | 133.7 | 74% | 0.739 | 69% | 0.689 | S | S | * | * | trans | -118.6 | 79.6 | 158.1 | -167.1 | 0 | 0 | 0 | 0 | 109 | V662 M666 | V662-S664 PolarHBondContact O-N 2.85Å; V662-S664 VanDerWaalsContact O-N 3.1Å; S664-M666 VanDerWaalsContact C-N 3.3Å; S664-M666 PolarHBondContact O-N 2.97Å | ||
| 665 | E | 33.8 | Very low | 42.5 | Very low | 188.667 Ų | 188.667 | 126.6 Ų | 126.6 | 88% | 0.882 | 66% | 0.656 | S | S | * | * | trans | -71.8 | 55.4 | 171.1 | -77.4 | -173.6 | 135 | 0 | 0 | 110.6 | S663 T667 | S663-E665 VanDerWaalsContact C-N 3.26Å; S663-E665 PolarHBondContact O-N 3.23Å; E665-T667 PolarHBondContact O-N 3.21Å | ||
| 666 | M | 31.2 | Very low | 44.5 | Very low | 137 Ų | 137 | 118.4 Ų | 118.4 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | trans | -76.6 | 90.2 | 174.3 | -161.2 | 101 | 82.3 | 0 | 0 | 110 | F646 S664 K668 | F646-M666 HydrophobicContact CE1-CE 4.4Å; F646-M666 HydrophobicContact CE2-CE 4.13Å; F646-M666 HydrophobicContact CZ-CE 3.51Å; S664-M666 VanDerWaalsContact C-N 3.3Å; S664-M666 PolarHBondContact O-N 2.97Å; M666-K668 PolarHBondContact O-N 3.23Å; M666-K668 VanDerWaalsContact O-N 3.11Å | ||
| 667 | T | 39 | Very low | 46.8 | Very low | 98.3333 Ų | 98.3333 | 110.2 Ų | 110.2 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | trans | -72.7 | 84.3 | -178.6 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | E665 A669 D670 | E665-T667 PolarHBondContact O-N 3.21Å; T667-A669 PolarHBondContact O-N 3.2Å; T667-D670 PolarHBondContact O-N 3.05Å; T667-D670 VanDerWaalsContact O-N 3.09Å; T667-D670 PolarHBondContact OG1-OD2 2.88Å; T667-D670 VanDerWaalsContact OG1-OD2 3.09Å | ||
| 668 | K | 37.8 | Very low | 49.3 | Very low | 180.667 Ų | 180.667 | 103.8 Ų | 103.8 | 79% | 0.786 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.3 | -9.6 | 173.7 | -81.3 | -178.9 | 174.3 | 176.7 | 0 | 114.9 | M666 Q672 | M666-K668 PolarHBondContact O-N 3.23Å; M666-K668 VanDerWaalsContact O-N 3.11Å; K668-Q672 PolarHBondContact O-N 2.82Å |
| 669 | A | 39.6 | Very low | 52 | Low | 63.6667 Ų | 63.6667 | 94.8 Ų | 94.8 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -75.1 | -36.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T667 V671 Q672 L673 | T667-A669 PolarHBondContact O-N 3.2Å; A669-V671 PolarHBondContact O-N 3.11Å; A669-Q672 WeakPolarHBondContact O-CB 3.48Å; A669-Q672 PolarHBondContact O-N 3.03Å; A669-L673 PolarHBondContact O-N 3.42Å |
| 670 | D | 39.9 | Very low | 54.8 | Low | 107.333 Ų | 107.333 | 86.7 Ų | 86.7 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19 | -166.5 | -78.5 | -13.1 | 0 | 0 | 0 | 114.5 | K213 T667 Q672 L673 F674 | K213-D670 IonicContact NZ-OD2 3.25Å; K213-D670 PolarHBondContact NZ-OD2 3.29Å; T667-D670 PolarHBondContact O-N 3.05Å; T667-D670 VanDerWaalsContact O-N 3.09Å; T667-D670 PolarHBondContact OG1-OD2 2.88Å; T667-D670 VanDerWaalsContact OG1-OD2 3.09Å; D670-Q672 VanDerWaalsContact C-N 3.33Å; D670-L673 WeakPolarHBondContact O-CB 3.3Å; D670-L673 PolarHBondContact O-N 3.29Å; D670-F674 WeakPolarHBondContact O-CD2 3.26Å |
| 671 | V | 47.5 | Very low | 57.5 | Low | 80.6667 Ų | 80.6667 | 79.8 Ų | 79.8 | 49% | 0.489 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 34.2 | 171 | -162.8 | 0 | 0 | 0 | 0 | 110.4 | L115 A669 L673 F674 | L115-V671 HydrophobicContact CD2-CG2 3.61Å; A669-V671 PolarHBondContact O-N 3.11Å; V671-L673 HydrophobicContact CG1-CD1 4.25Å; V671-L673 HydrophobicContact CG1-CD2 3.8Å; V671-L673 HydrophobicContact CG1-CG 3.8Å; V671-L673 PolarHBondContact O-N 3.25Å; V671-F674 PolarHBondContact O-N 2.83Å |
| 672 | Q | 50.7 | Low | 60.4 | Low | 132 Ų | 132 | 73.3 Ų | 73.3 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | trans | -64.8 | 54.7 | 166.1 | -89.6 | -175.1 | -16.5 | 0 | 0 | 111 | K668 A669 D670 F674 | K668-Q672 PolarHBondContact O-N 2.82Å; A669-Q672 WeakPolarHBondContact O-CB 3.48Å; A669-Q672 PolarHBondContact O-N 3.03Å; D670-Q672 VanDerWaalsContact C-N 3.33Å; Q672-F674 VanDerWaalsContact C-N 3.29Å; Q672-F674 HydrophobicContact CB-CE1 4.39Å; Q672-F674 HydrophobicContact CB-CE2 4.05Å; Q672-F674 HydrophobicContact CB-CZ 3.91Å; Q672-F674 VanDerWaalsContact O-CD2 3.25Å; Q672-F674 WeakPolarHBondContact O-CD2 3.42Å; Q672-F674 WeakPolarHBondContact O-CE2 3.36Å; Q672-F674 PolarHBondContact O-N 3.17Å | ||
| 673 | L | 60 | Low | 63.1 | Low | 87 Ų | 87 | 67.5 Ų | 67.5 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | trans | -69.1 | 64.8 | 171.3 | -66.6 | 171.7 | 0 | 0 | 0 | 109.7 | Q59 F619 A669 D670 V671 G675 | Q59-L673 HydrophobicContact CG-CD2 4.3Å; F619-L673 WeakPolarHBondContact CZ-O 3.36Å; A669-L673 PolarHBondContact O-N 3.42Å; D670-L673 WeakPolarHBondContact O-CB 3.3Å; D670-L673 PolarHBondContact O-N 3.29Å; V671-L673 HydrophobicContact CG1-CD1 4.25Å; V671-L673 HydrophobicContact CG1-CD2 3.8Å; V671-L673 HydrophobicContact CG1-CG 3.8Å; V671-L673 PolarHBondContact O-N 3.25Å; L673-G675 PolarHBondContact O-N 2.9Å | ||
| 674 | F | 65.6 | Low | 65.8 | Low | 48.6667 Ų | 48.6667 | 64.4 Ų | 64.4 | 21% | 0.213 | 34% | 0.343 | C | S | . | . | trans | -79.4 | 127.9 | 177.1 | -60.2 | -67 | 0 | 0 | 0 | 110.8 | R13 R618 F619 H639 V641 D670 V671 Q672 N702 L706 | R13-F674 HydrophobicContact CG-CE2 4.01Å; R13-F674 VanDerWaalsContact NE-CZ 3.3Å; R618-F674 VanDerWaalsContact NH1-CD2 3.31Å; R618-F674 VanDerWaalsContact NH2-CD2 3.25Å; F619-F674 HydrophobicContact CE2-CB 4.27Å; F619-F674 WeakPolarHBondContact CZ-O 3.49Å; H639-F674 HydrophobicContact CB-CD1 4.12Å; H639-F674 AromaticContact CD2-CD1 3.53Å; H639-F674 AromaticContact CD2-CE1 3.73Å; H639-F674 AromaticContact CE1-CD1 3.65Å; H639-F674 AromaticContact CE1-CE1 3.49Å; H639-F674 VanDerWaalsContact CE1-CE1 3.49Å; H639-F674 WeakPolarHBondContact CE1-CE1 3.38Å; H639-F674 AromaticContact CG-CD1 3.44Å; H639-F674 VanDerWaalsContact CG-CD1 3.44Å; H639-F674 AromaticContact ND1-CD1 3.52Å; H639-F674 AromaticContact ND1-CE1 3.88Å; H639-F674 AromaticContact NE2-CD1 3.67Å; H639-F674 AromaticContact NE2-CE1 3.4Å; H639-F674 WeakPolarHBondContact NE2-CE1 2.98Å; V641-F674 HydrophobicContact CG2-CB 4.4Å; V641-F674 HydrophobicContact CG2-CD1 3.63Å; V641-F674 HydrophobicContact CG2-CD2 4.14Å; V641-F674 HydrophobicContact CG2-CE1 3.82Å; V641-F674 HydrophobicContact CG2-CE2 4.32Å; V641-F674 HydrophobicContact CG2-CG 3.78Å; V641-F674 HydrophobicContact CG2-CZ 4.16Å; D670-F674 WeakPolarHBondContact O-CD2 3.26Å; V671-F674 PolarHBondContact O-N 2.83Å; Q672-F674 VanDerWaalsContact C-N 3.29Å; Q672-F674 HydrophobicContact CB-CE1 4.39Å; Q672-F674 HydrophobicContact CB-CE2 4.05Å; Q672-F674 HydrophobicContact CB-CZ 3.91Å; Q672-F674 VanDerWaalsContact O-CD2 3.25Å; Q672-F674 WeakPolarHBondContact O-CD2 3.42Å; Q672-F674 WeakPolarHBondContact O-CE2 3.36Å; Q672-F674 PolarHBondContact O-N 3.17Å; F674-N702 HydrophobicContact CB-CB 4.33Å; F674-N702 HydrophobicContact CD1-CB 3.43Å; F674-N702 HydrophobicContact CD2-CB 4.41Å; F674-N702 HydrophobicContact CE1-CB 3.44Å; F674-N702 HydrophobicContact CE2-CB 4.2Å; F674-N702 HydrophobicContact CG-CB 3.91Å; F674-N702 HydrophobicContact CZ-CB 3.92Å; F674-L706 HydrophobicContact CB-CD2 4.26Å | ||
| 675 | G | 75.3 | Confident | 68.3 | Low | 2 Ų | 2 | 62.2 Ų | 62.2 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -110.2 | -60.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F619 H638 H639 L673 S703 | F619-G675 VanDerWaalsContact CE2-O 3.23Å; F619-G675 WeakPolarHBondContact CE2-O 3.05Å; H638-G675 CarbonylContact C-O 3.49Å; H638-G675 VanDerWaalsContact CA-O 3.26Å; H638-G675 WeakPolarHBondContact CA-O 3.36Å; H639-G675 PolarHBondContact N-O 2.83Å; L673-G675 PolarHBondContact O-N 2.9Å; G675-S703 WeakPolarHBondContact CA-O 3.37Å; G675-S703 PolarHBondContact N-O 3.3Å | ||
| 676 | S | 88.2 | Confident | 70.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.7 | -178.1 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | S637 H638 N702 S703 E705 L706 A708 | S637-S676 CarbonylContact O-C 3.52Å; S637-S676 VanDerWaalsContact O-CA 3.3Å; S637-S676 WeakPolarHBondContact O-CA 3.38Å; H638-S676 VanDerWaalsContact CB-OG 3.29Å; H638-S676 WeakPolarHBondContact CB-OG 3.47Å; H638-S676 WeakPolarHBondContact ND1-CB 3.27Å; H638-S676 PolarHBondContact ND1-OG 3.15Å; S676-N702 CarbonylContact O-C 3.45Å; S676-N702 WeakPolarHBondContact O-CA 3.35Å; S676-S703 PolarHBondContact N-O 3.24Å; S676-S703 VanDerWaalsContact N-O 3.12Å; S676-S703 PolarHBondContact O-N 2.91Å; S676-E705 WeakPolarHBondContact CB-O 3.34Å; S676-E705 PolarHBondContact OG-O 3.26Å; S676-L706 WeakPolarHBondContact OG-CA 3.41Å; S676-L706 PolarHBondContact OG-O 2.93Å; S676-L706 VanDerWaalsContact OG-O 3.08Å; S676-A708 VanDerWaalsContact CB-O 3.28Å; S676-A708 WeakPolarHBondContact CB-O 3.31Å; S676-A708 PolarHBondContact OG-O 2.94Å; S676-A708 VanDerWaalsContact OG-O 3.1Å |
| 677 | E | 90.7 | Very high | 73.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.2 | -178.6 | -27.9 | -179.3 | 177.4 | 0 | 0 | 111.7 | H617 R618 F619 T636 S637 R700 I701 N702 | H617-E677 WeakPolarHBondContact CA-OE1 3.34Å; H617-E677 WeakPolarHBondContact CB-OE1 3.45Å; H617-E677 IonicContact CG-OE1 3.2Å; H617-E677 WeakPolarHBondContact ND1-CG 3.16Å; H617-E677 IonicContact ND1-OE1 3.43Å; H617-E677 PolarHBondContact ND1-OE1 2.83Å; H617-E677 IonicContact ND1-OE2 3.73Å; R618-E677 WeakPolarHBondContact CB-OE1 3.45Å; R618-E677 WeakPolarHBondContact CD-OE1 3.48Å; R618-E677 WeakPolarHBondContact CG-OE1 3.37Å; R618-E677 IonicContact CZ-OE1 2.71Å; R618-E677 PolarHBondContact N-OE1 2.84Å; R618-E677 PolarHBondContact N-OE2 3.15Å; R618-E677 VanDerWaalsContact N-OE2 3.09Å; R618-E677 IonicContact NE-OE1 3.58Å; R618-E677 PolarHBondContact NE-OE1 3.04Å; R618-E677 IonicContact NE-OE2 3.07Å; R618-E677 IonicContact NH1-OE1 3.69Å; R618-E677 PolarHBondContact NH1-OE1 2.83Å; R618-E677 VanDerWaalsContact NH2-CD 3.33Å; R618-E677 IonicContact NH2-OE1 2.59Å; R618-E677 PolarHBondContact NH2-OE1 3.25Å; R618-E677 IonicContact NH2-OE2 3.55Å; F619-E677 HydrophobicContact CD2-CG 4.36Å; F619-E677 HydrophobicContact CE2-CG 4.31Å; F619-E677 VanDerWaalsContact CE2-OE1 3.28Å; F619-E677 WeakPolarHBondContact CE2-OE1 3.28Å; F619-E677 PolarHBondContact N-OE1 2.53Å; T636-E677 VanDerWaalsContact CA-O 3.26Å; T636-E677 WeakPolarHBondContact CA-O 3.3Å; S637-E677 PolarHBondContact N-O 3.12Å; S637-E677 PolarHBondContact O-N 3.09Å; E677-R700 IonicContact OE2-NH1 3.28Å; E677-R700 PolarHBondContact OE2-NH1 3.19Å; E677-I701 VanDerWaalsContact CA-O 3.28Å; E677-I701 WeakPolarHBondContact CA-O 3.36Å; E677-N702 WeakPolarHBondContact CB-OD1 3.32Å; E677-N702 WeakPolarHBondContact CG-OD1 3.39Å |
| 678 | L | 93.9 | Very high | 75 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.2 | 173.3 | 177.3 | 154.6 | 0 | 0 | 0 | 108.8 | L634 T635 T636 R700 I701 F709 V712 F735 A737 I807 | L634-L678 HydrophobicContact CD2-CD2 3.88Å; L634-L678 HydrophobicContact CD2-CG 4.44Å; T635-L678 WeakPolarHBondContact O-CA 3.41Å; T636-L678 HydrophobicContact CG2-CB 4.42Å; T636-L678 HydrophobicContact CG2-CD1 4.18Å; T636-L678 HydrophobicContact CG2-CG 4.32Å; L678-R700 CarbonylContact O-C 3.53Å; L678-R700 WeakPolarHBondContact O-CA 3.38Å; L678-I701 HydrophobicContact CD2-CD1 4.32Å; L678-I701 HydrophobicContact CD2-CG1 4.41Å; L678-I701 PolarHBondContact N-O 2.97Å; L678-I701 PolarHBondContact O-N 3.26Å; L678-F709 HydrophobicContact CB-CB 4.1Å; L678-F709 HydrophobicContact CB-CD1 4Å; L678-F709 HydrophobicContact CB-CD2 3.81Å; L678-F709 HydrophobicContact CB-CE1 4.39Å; L678-F709 HydrophobicContact CB-CE2 4.24Å; L678-F709 HydrophobicContact CB-CG 3.68Å; L678-F709 HydrophobicContact CB-CZ 4.45Å; L678-F709 HydrophobicContact CD1-CB 4.17Å; L678-F709 HydrophobicContact CD1-CD1 3.7Å; L678-F709 HydrophobicContact CD1-CE1 4.38Å; L678-F709 HydrophobicContact CD1-CG 4.02Å; L678-F709 HydrophobicContact CG-CD1 4.45Å; L678-F709 HydrophobicContact CG-CG 4.47Å; L678-V712 HydrophobicContact CD1-CG1 4.48Å; L678-V712 HydrophobicContact CD1-CG2 3.91Å; L678-F735 HydrophobicContact CD1-CE2 3.83Å; L678-F735 HydrophobicContact CD1-CZ 4.38Å; L678-F735 HydrophobicContact CD2-CE2 4.35Å; L678-F735 HydrophobicContact CD2-CZ 4.07Å; L678-A737 HydrophobicContact CD1-CB 4.42Å; L678-I807 HydrophobicContact CD2-CD1 4.05Å |
| 679 | I | 93.8 | Very high | 77 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.4 | 178.4 | -56.2 | 170.3 | 0 | 0 | 0 | 109.2 | G616 H617 L634 T635 W681 E697 R700 | G616-I679 VanDerWaalsContact C-CD1 3.47Å; H617-I679 VanDerWaalsContact CE1-CD1 3.49Å; H617-I679 WeakPolarHBondContact CE1-CD1 3.33Å; H617-I679 WeakPolarHBondContact NE2-CD1 3.15Å; L634-I679 WeakPolarHBondContact CA-O 3.35Å; T635-I679 PolarHBondContact N-O 3.22Å; T635-I679 PolarHBondContact O-N 3.13Å; T635-I679 PolarHBondContact OG1-O 3.22Å; I679-W681 HydrophobicContact CB-CZ2 4.23Å; I679-W681 HydrophobicContact CD1-CZ2 3.93Å; I679-W681 HydrophobicContact CG2-CD2 3.97Å; I679-W681 VanDerWaalsContact CG2-CE2 3.4Å; I679-W681 HydrophobicContact CG2-CG 4.33Å; I679-W681 HydrophobicContact CG2-CH2 4.36Å; I679-W681 HydrophobicContact CG2-CZ2 3.69Å; I679-E697 HydrophobicContact CG2-CB 4.38Å; I679-E697 HydrophobicContact CG2-CG 3.64Å; I679-R700 VanDerWaalsContact CD1-CZ 3.43Å; I679-R700 VanDerWaalsContact CD1-NH2 3.3Å; I679-R700 HydrophobicContact CG1-CB 4.35Å; I679-R700 HydrophobicContact CG1-CG 4.1Å |
| 680 | L | 94.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.8 | 169.4 | 174.7 | 67.4 | 0 | 0 | 0 | 110 | L632 L634 L698 S699 W714 A748 I807 | L632-L680 HydrophobicContact CB-CD1 4.49Å; L632-L680 HydrophobicContact CD2-CD1 4.39Å; L634-L680 HydrophobicContact CD2-CB 3.91Å; L634-L680 HydrophobicContact CD2-CD1 3.66Å; L634-L680 HydrophobicContact CD2-CG 4.34Å; L680-L698 HydrophobicContact CD2-CB 4.16Å; L680-L698 HydrophobicContact CD2-CD1 4.09Å; L680-L698 HydrophobicContact CG-CB 4.15Å; L680-L698 HydrophobicContact CG-CD1 4.18Å; L680-L698 PolarHBondContact O-N 2.92Å; L680-S699 PolarHBondContact N-O 2.98Å; L680-S699 PolarHBondContact O-N 3.28Å; L680-W714 HydrophobicContact CD1-CH2 3.85Å; L680-W714 HydrophobicContact CD1-CZ2 4.04Å; L680-A748 HydrophobicContact CD1-CB 4.35Å; L680-A748 HydrophobicContact CD2-CB 3.81Å; L680-I807 HydrophobicContact CB-CD1 4.14Å; L680-I807 HydrophobicContact CD2-CG1 4.37Å |
| 681 | W | 93.7 | Very high | 80 | Confident | 5.66667 Ų | 5.66667 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.2 | -178.7 | -59.5 | 94 | 0 | 0 | 0 | 111.6 | I7 L632 F633 T635 I679 V695 S696 E697 M1264 | I7-W681 HydrophobicContact CD1-CH2 3.98Å; I7-W681 HydrophobicContact CD1-CZ3 3.89Å; I7-W681 HydrophobicContact CG2-CH2 3.84Å; I7-W681 HydrophobicContact CG2-CZ2 4.49Å; L632-W681 VanDerWaalsContact CA-O 3.32Å; L632-W681 WeakPolarHBondContact CA-O 3.27Å; L632-W681 WeakPolarHBondContact CD2-O 3.39Å; F633-W681 HydrophobicContact CD1-CB 3.73Å; F633-W681 HydrophobicContact CD2-CB 4.24Å; F633-W681 AromaticContact CD2-CD1 3.88Å; F633-W681 HydrophobicContact CD2-CG 4.3Å; F633-W681 HydrophobicContact CE1-CB 3.43Å; F633-W681 VanDerWaalsContact CE1-CB 3.46Å; F633-W681 HydrophobicContact CE1-CG 4.08Å; F633-W681 HydrophobicContact CE2-CB 4Å; F633-W681 AromaticContact CE2-CD1 3.56Å; F633-W681 AromaticContact CE2-CG 3.81Å; F633-W681 HydrophobicContact CE2-CG 3.81Å; F633-W681 HydrophobicContact CG-CB 4.15Å; F633-W681 HydrophobicContact CZ-CB 3.6Å; F633-W681 AromaticContact CZ-CD1 3.92Å; F633-W681 HydrophobicContact CZ-CD2 4.38Å; F633-W681 AromaticContact CZ-CG 3.71Å; F633-W681 HydrophobicContact CZ-CG 3.71Å; F633-W681 PolarHBondContact N-O 3.17Å; F633-W681 VanDerWaalsContact N-O 3.1Å; F633-W681 PolarHBondContact O-N 3.35Å; T635-W681 VanDerWaalsContact CG2-NE1 3.35Å; T635-W681 PolarHBondContact OG1-NE1 3.01Å; I679-W681 HydrophobicContact CB-CZ2 4.23Å; I679-W681 HydrophobicContact CD1-CZ2 3.93Å; I679-W681 HydrophobicContact CG2-CD2 3.97Å; I679-W681 VanDerWaalsContact CG2-CE2 3.4Å; I679-W681 HydrophobicContact CG2-CG 4.33Å; I679-W681 HydrophobicContact CG2-CH2 4.36Å; I679-W681 HydrophobicContact CG2-CZ2 3.69Å; W681-V695 HydrophobicContact CB-CG1 3.95Å; W681-V695 HydrophobicContact CD2-CG1 3.8Å; W681-V695 HydrophobicContact CE3-CG1 3.36Å; W681-V695 VanDerWaalsContact CE3-CG1 3.46Å; W681-V695 HydrophobicContact CG-CG1 4.08Å; W681-V695 HydrophobicContact CZ3-CG1 4.1Å; W681-S696 WeakPolarHBondContact CA-O 3.43Å; W681-S696 VanDerWaalsContact CE3-C 3.44Å; W681-E697 VanDerWaalsContact CE3-CA 3.48Å; W681-E697 HydrophobicContact CE3-CB 3.92Å; W681-E697 VanDerWaalsContact CE3-N 3.29Å; W681-E697 HydrophobicContact CH2-CB 4.2Å; W681-E697 HydrophobicContact CZ3-CB 3.66Å; W681-E697 HydrophobicContact CZ3-CG 4.49Å; W681-M1264 HydrophobicContact CH2-CE 4.32Å; W681-M1264 HydrophobicContact CZ2-CE 4.13Å |
| 682 | Q | 92.4 | Very high | 81.3 | Confident | 66.6667 Ų | 66.6667 | 56.9 Ų | 56.9 | 31% | 0.312 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.9 | 167 | -175.1 | 175.4 | 30.4 | 0 | 0 | 110.5 | L632 V695 S696 L698 | L632-Q682 HydrophobicContact CD2-CB 4.26Å; L632-Q682 HydrophobicContact CD2-CG 4.37Å; Q682-V695 CarbonylContact O-C 3.53Å; Q682-V695 WeakPolarHBondContact O-CA 3.36Å; Q682-S696 PolarHBondContact N-O 2.97Å; Q682-S696 PolarHBondContact O-N 3.35Å; Q682-L698 HydrophobicContact CB-CD1 3.86Å; Q682-L698 HydrophobicContact CB-CD2 4.05Å; Q682-L698 HydrophobicContact CB-CG 3.8Å |
| 683 | V | 91.4 | Very high | 82.7 | Confident | 3.33333 Ų | 3.33333 | 52.5 Ų | 52.5 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.8 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | P631 F633 G694 V695 V1251 R1252 I1255 | P631-V683 HydrophobicContact CB-CB 4.23Å; P631-V683 PolarHBondContact O-N 3.14Å; F633-V683 HydrophobicContact CD1-CG2 3.65Å; F633-V683 HydrophobicContact CE1-CG2 3.64Å; V683-G694 CarbonylContact C-O 3.5Å; V683-G694 VanDerWaalsContact CA-O 3.27Å; V683-G694 WeakPolarHBondContact CA-O 3.33Å; V683-V695 HydrophobicContact CG2-CG2 4.4Å; V683-V1251 HydrophobicContact CB-CG1 4.44Å; V683-V1251 HydrophobicContact CB-CG2 4.46Å; V683-V1251 HydrophobicContact CG1-CG2 3.88Å; V683-V1251 HydrophobicContact CG2-CB 4Å; V683-V1251 HydrophobicContact CG2-CG1 3.98Å; V683-V1251 HydrophobicContact CG2-CG2 3.75Å; V683-R1252 WeakPolarHBondContact CG1-O 3.48Å; V683-I1255 HydrophobicContact CG1-CB 4.14Å; V683-I1255 HydrophobicContact CG1-CD1 3.47Å; V683-I1255 VanDerWaalsContact CG1-CD1 3.47Å; V683-I1255 HydrophobicContact CG1-CG1 3.62Å |
| 684 | V | 89.3 | Confident | 84 | Confident | 44.3333 Ų | 44.3333 | 48.6 Ų | 48.6 | 27% | 0.269 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.2 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | G694 | V684-G694 PolarHBondContact N-O 3.1Å; V684-G694 PolarHBondContact O-N 3.02Å |
| 685 | P | 85.6 | Confident | 85.2 | Confident | 59.3333 Ų | 59.3333 | 47.4 Ų | 47.4 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | trans | -57.4 | 141.3 | -178.6 | 21.3 | -32.3 | 0 | 0 | 0 | 112.3 | H1253 | P685-H1253 HydrophobicContact CB-CB 3.85Š| ||
| 686 | V | 85.6 | Confident | 85.9 | Confident | 20.6667 Ų | 20.6667 | 49.5 Ų | 49.5 | 13% | 0.125 | 28% | 0.275 | C | S | . | . | trans | -110.9 | 124.4 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | R690 I1255 W1270 | V686-R690 WeakPolarHBondContact CG1-O 3.21Å; V686-I1255 HydrophobicContact CB-CD1 4.47Å; V686-I1255 HydrophobicContact CG2-CD1 4.19Å; V686-W1270 PolarHBondContact O-NE1 3.18Å | ||
| 687 | G | 82 | Confident | 86 | Confident | 19.6667 Ų | 19.6667 | 49.7 Ų | 49.7 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | trans | -121.9 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L689 R690 | G687-L689 PolarHBondContact O-N 3.13Å; G687-L689 VanDerWaalsContact O-N 3.17Å; G687-R690 PolarHBondContact N-O 3.25Å; G687-R690 CarbonylContact O-C 3.54Å; G687-R690 PolarHBondContact O-N 3.24Å; G687-R690 VanDerWaalsContact O-O 3.07Å | ||
| 688 | P | 78 | Confident | 85.9 | Confident | 92.6667 Ų | 92.6667 | 49.9 Ų | 49.9 | 60% | 0.602 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.8 | -176.9 | 8.3 | -11.9 | 0 | 0 | 0 | 113.1 | W1270 | P688-W1270 HydrophobicContact CB-CD2 4.12Å; P688-W1270 HydrophobicContact CB-CE3 4.25Å; P688-W1270 HydrophobicContact CB-CH2 4.4Å; P688-W1270 HydrophobicContact CB-CZ2 4.45Å; P688-W1270 HydrophobicContact CB-CZ3 4.26Å; P688-W1270 HydrophobicContact CG-CH2 4.3Å; P688-W1270 HydrophobicContact CG-CZ2 4.28Å |
| 689 | L | 78.6 | Confident | 85.8 | Confident | 174.667 Ų | 174.667 | 49.9 Ų | 49.9 | 91% | 0.914 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -7.8 | 178.4 | -59.2 | 178.2 | 0 | 0 | 0 | 113.7 | G687 | G687-L689 PolarHBondContact O-N 3.13Å; G687-L689 VanDerWaalsContact O-N 3.17Å |
| 690 | R | 72.9 | Confident | 85.6 | Confident | 145.333 Ų | 145.333 | 50.1 Ų | 50.1 | 55% | 0.548 | 28% | 0.278 | S | S | . | . | trans | -127 | 105 | -174.4 | -138.1 | -177.3 | 179.5 | 166 | 2.1 | 110.5 | V686 G687 T692 | V686-R690 WeakPolarHBondContact CG1-O 3.21Å; G687-R690 PolarHBondContact N-O 3.25Å; G687-R690 CarbonylContact O-C 3.54Å; G687-R690 PolarHBondContact O-N 3.24Å; G687-R690 VanDerWaalsContact O-O 3.07Å; R690-T692 VanDerWaalsContact C-N 3.3Å; R690-T692 WeakPolarHBondContact CD-O 3.46Å; R690-T692 WeakPolarHBondContact CG-O 3.46Å; R690-T692 PolarHBondContact NE-O 3.05Å; R690-T692 VanDerWaalsContact NE-O 3.11Å; R690-T692 PolarHBondContact NE-OG1 2.93Å; R690-T692 PolarHBondContact O-N 3.4Å | ||
| 691 | K | 71.3 | Confident | 85.5 | Confident | 189.667 Ų | 189.667 | 50.5 Ų | 50.5 | 83% | 0.825 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -75.9 | -15.8 | 171.1 | -65.5 | -172.2 | 178.9 | -177.4 | 0 | 113.3 | H4 | H4-K691 PolarHBondContact CE1-O 3.09Š|
| 692 | T | 74.1 | Confident | 85.2 | Confident | 103.667 Ų | 103.667 | 52.6 Ų | 52.6 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -98.8 | 133.4 | -179.5 | 55 | 0 | 0 | 0 | 0 | 111.2 | R690 | R690-T692 VanDerWaalsContact C-N 3.3Å; R690-T692 WeakPolarHBondContact CD-O 3.46Å; R690-T692 WeakPolarHBondContact CG-O 3.46Å; R690-T692 PolarHBondContact NE-O 3.05Å; R690-T692 VanDerWaalsContact NE-O 3.11Å; R690-T692 PolarHBondContact NE-OG1 2.93Å; R690-T692 PolarHBondContact O-N 3.4Å |
| 693 | G | 80.1 | Confident | 85.1 | Confident | 39.3333 Ų | 39.3333 | 50.1 Ų | 50.1 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | trans | 145.1 | -153.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | H4 | H4-G693 PolarHBondContact NE2-O 3.25Š| ||
| 694 | G | 87 | Confident | 84.7 | Confident | 5.33333 Ų | 5.33333 | 53.5 Ų | 53.5 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.9 | -122.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V683 V684 | V683-G694 CarbonylContact C-O 3.5Å; V683-G694 VanDerWaalsContact CA-O 3.27Å; V683-G694 WeakPolarHBondContact CA-O 3.33Å; V684-G694 PolarHBondContact N-O 3.1Å; V684-G694 PolarHBondContact O-N 3.02Å |
| 695 | V | 90.7 | Very high | 84.4 | Confident | 22.3333 Ų | 22.3333 | 55.1 Ų | 55.1 | 14% | 0.135 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.3 | -170.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Q5 I7 F633 W681 Q682 V683 I1255 I1266 | Q5-V695 PolarHBondContact NE2-O 3.05Å; Q5-V695 PolarHBondContact OE1-O 2.82Å; I7-V695 HydrophobicContact CD1-CB 4.3Å; I7-V695 HydrophobicContact CD1-CG1 3.84Å; F633-V695 HydrophobicContact CE1-CB 4.35Å; F633-V695 HydrophobicContact CE1-CG1 3.7Å; F633-V695 HydrophobicContact CE1-CG2 3.81Å; F633-V695 HydrophobicContact CZ-CB 4.39Å; F633-V695 HydrophobicContact CZ-CG1 3.55Å; F633-V695 VanDerWaalsContact CZ-CG1 3.5Å; F633-V695 HydrophobicContact CZ-CG2 3.97Å; W681-V695 HydrophobicContact CB-CG1 3.95Å; W681-V695 HydrophobicContact CD2-CG1 3.8Å; W681-V695 HydrophobicContact CE3-CG1 3.36Å; W681-V695 VanDerWaalsContact CE3-CG1 3.46Å; W681-V695 HydrophobicContact CG-CG1 4.08Å; W681-V695 HydrophobicContact CZ3-CG1 4.1Å; Q682-V695 CarbonylContact O-C 3.53Å; Q682-V695 WeakPolarHBondContact O-CA 3.36Å; V683-V695 HydrophobicContact CG2-CG2 4.4Å; V695-I1255 HydrophobicContact CG2-CG2 4.34Å; V695-I1266 HydrophobicContact CB-CD1 3.62Å; V695-I1266 HydrophobicContact CB-CG1 4.44Å; V695-I1266 HydrophobicContact CG1-CD1 4.36Å; V695-I1266 HydrophobicContact CG2-CD1 3.69Å; V695-I1266 HydrophobicContact CG2-CG1 4Å; V695-I1266 HydrophobicContact CG2-CG2 3.98Å |
| 696 | S | 89.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | W681 Q682 L698 | W681-S696 WeakPolarHBondContact CA-O 3.43Å; W681-S696 VanDerWaalsContact CE3-C 3.44Å; Q682-S696 PolarHBondContact N-O 2.97Å; Q682-S696 PolarHBondContact O-N 3.35Å; S696-L698 PolarHBondContact O-N 3.26Å |
| 697 | E | 90.5 | Very high | 83.9 | Confident | 5.66667 Ų | 5.66667 | 54.7 Ų | 54.7 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 127.5 | 176.2 | -179 | 170.8 | 161.9 | 0 | 0 | 109.9 | C615 I679 W681 R700 S800 T801 | C615-E697 VanDerWaalsContact CB-OE2 3.28Å; C615-E697 WeakPolarHBondContact CB-OE2 3.43Å; C615-E697 PolarHBondContact SG-OE2 3.14Å; I679-E697 HydrophobicContact CG2-CB 4.38Å; I679-E697 HydrophobicContact CG2-CG 3.64Å; W681-E697 VanDerWaalsContact CE3-CA 3.48Å; W681-E697 HydrophobicContact CE3-CB 3.92Å; W681-E697 VanDerWaalsContact CE3-N 3.29Å; W681-E697 HydrophobicContact CH2-CB 4.2Å; W681-E697 HydrophobicContact CZ3-CB 3.66Å; W681-E697 HydrophobicContact CZ3-CG 4.49Å; E697-R700 VanDerWaalsContact CD-NH2 3.31Å; E697-R700 IonicContact OE1-CZ 2.99Å; E697-R700 IonicContact OE1-NE 2.76Å; E697-R700 PolarHBondContact OE1-NE 3.19Å; E697-R700 IonicContact OE1-NH2 3.43Å; E697-R700 PolarHBondContact OE1-NH2 3.1Å; E697-R700 VanDerWaalsContact OE1-NH2 3.09Å; E697-R700 IonicContact OE2-CZ 2.82Å; E697-R700 IonicContact OE2-NH2 3.4Å; E697-R700 PolarHBondContact OE2-NH2 3.12Å; E697-S800 PolarHBondContact OE1-OG 2.99Å; E697-T801 WeakPolarHBondContact O-CG2 3.35Å |
| 698 | L | 89.8 | Confident | 84.2 | Confident | 3.33333 Ų | 3.33333 | 53.8 Ų | 53.8 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -46.8 | 174.4 | -74.3 | -177.3 | 0 | 0 | 0 | 111.8 | L632 L680 Q682 S696 L750 G805 | L632-L698 HydrophobicContact CD2-CD1 3.89Å; L680-L698 HydrophobicContact CD2-CB 4.16Å; L680-L698 HydrophobicContact CD2-CD1 4.09Å; L680-L698 HydrophobicContact CG-CB 4.15Å; L680-L698 HydrophobicContact CG-CD1 4.18Å; L680-L698 PolarHBondContact O-N 2.92Å; Q682-L698 HydrophobicContact CB-CD1 3.86Å; Q682-L698 HydrophobicContact CB-CD2 4.05Å; Q682-L698 HydrophobicContact CB-CG 3.8Å; S696-L698 PolarHBondContact O-N 3.26Å; L698-L750 HydrophobicContact CD1-CD2 4.25Å; L698-G805 PolarHBondContact O-N 3.15Å; L698-G805 VanDerWaalsContact O-N 3.12Å |
| 699 | S | 90.9 | Very high | 84.8 | Confident | 0.333333 Ų | 0.333333 | 49.6 Ų | 49.6 | 0% | 0.002 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 158.5 | -176.4 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | L680 G805 I807 | L680-S699 PolarHBondContact N-O 2.98Å; L680-S699 PolarHBondContact O-N 3.28Å; S699-G805 WeakPolarHBondContact CB-O 3.48Å; S699-I807 WeakPolarHBondContact OG-CD1 3.36Å; S699-I807 WeakPolarHBondContact OG-CG1 3.08Å |
| 700 | R | 90.8 | Very high | 85.1 | Confident | 4.33333 Ų | 4.33333 | 42.4 Ų | 42.4 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.2 | -177.1 | 174.5 | -173.1 | -54.9 | -119.5 | 2 | 111.7 | G616 E677 L678 I679 E697 N702 S797 T798 | G616-R700 VanDerWaalsContact O-CZ 3.25Å; G616-R700 PolarHBondContact O-NH1 3.08Å; G616-R700 PolarHBondContact O-NH2 2.93Å; E677-R700 IonicContact OE2-NH1 3.28Å; E677-R700 PolarHBondContact OE2-NH1 3.19Å; L678-R700 CarbonylContact O-C 3.53Å; L678-R700 WeakPolarHBondContact O-CA 3.38Å; I679-R700 VanDerWaalsContact CD1-CZ 3.43Å; I679-R700 VanDerWaalsContact CD1-NH2 3.3Å; I679-R700 HydrophobicContact CG1-CB 4.35Å; I679-R700 HydrophobicContact CG1-CG 4.1Å; E697-R700 VanDerWaalsContact CD-NH2 3.31Å; E697-R700 IonicContact OE1-CZ 2.99Å; E697-R700 IonicContact OE1-NE 2.76Å; E697-R700 PolarHBondContact OE1-NE 3.19Å; E697-R700 IonicContact OE1-NH2 3.43Å; E697-R700 PolarHBondContact OE1-NH2 3.1Å; E697-R700 VanDerWaalsContact OE1-NH2 3.09Å; E697-R700 IonicContact OE2-CZ 2.82Å; E697-R700 IonicContact OE2-NH2 3.4Å; E697-R700 PolarHBondContact OE2-NH2 3.12Å; R700-N702 VanDerWaalsContact CD-OD1 3.23Å; R700-N702 WeakPolarHBondContact CD-OD1 3.41Å; R700-S797 CarbonylContact O-C 3.51Å; R700-S797 VanDerWaalsContact O-CA 3.28Å; R700-S797 WeakPolarHBondContact O-CA 3.43Å; R700-S797 WeakPolarHBondContact O-CB 3.42Å; R700-T798 PolarHBondContact N-O 3Å; R700-T798 VanDerWaalsContact N-O 3.13Å; R700-T798 PolarHBondContact O-N 3.08Å; R700-T798 PolarHBondContact O-OG1 2.96Å; R700-T798 VanDerWaalsContact O-OG1 3.09Å |
| 701 | I | 91 | Very high | 85.9 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.046 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.9 | 168.4 | -51.4 | 173.6 | 0 | 0 | 0 | 108.5 | E677 L678 F709 F735 Y746 V796 I807 | E677-I701 VanDerWaalsContact CA-O 3.28Å; E677-I701 WeakPolarHBondContact CA-O 3.36Å; L678-I701 HydrophobicContact CD2-CD1 4.32Å; L678-I701 HydrophobicContact CD2-CG1 4.41Å; L678-I701 PolarHBondContact N-O 2.97Å; L678-I701 PolarHBondContact O-N 3.26Å; I701-F709 HydrophobicContact CB-CE2 4.42Å; I701-F709 HydrophobicContact CB-CZ 4.12Å; I701-F709 HydrophobicContact CG2-CE1 4.42Å; I701-F709 HydrophobicContact CG2-CE2 4.15Å; I701-F709 HydrophobicContact CG2-CZ 3.57Å; I701-F735 HydrophobicContact CD1-CZ 4.48Å; I701-Y746 HydrophobicContact CD1-CD1 4.21Å; I701-Y746 HydrophobicContact CD1-CE1 4.27Å; I701-V796 HydrophobicContact CD1-CG2 3.68Å; I701-V796 HydrophobicContact CG1-CG2 4.15Å; I701-V796 HydrophobicContact CG2-CB 4.44Å; I701-V796 HydrophobicContact CG2-CG2 4.42Å; I701-I807 HydrophobicContact CD1-CB 3.93Å; I701-I807 HydrophobicContact CD1-CD1 3.66Å; I701-I807 HydrophobicContact CD1-CG1 4.33Å; I701-I807 HydrophobicContact CD1-CG2 3.72Å; I701-I807 HydrophobicContact CG1-CB 4.33Å; I701-I807 HydrophobicContact CG1-CD1 3.8Å |
| 702 | N | 88.9 | Confident | 86.9 | Confident | 48 Ų | 48 | 26.9 Ų | 26.9 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.3 | 172.1 | -54.7 | -57.3 | 0 | 0 | 0 | 109.1 | R618 F674 S676 E677 R700 | R618-N702 PolarHBondContact NH1-OD1 2.81Å; R618-N702 PolarHBondContact NH2-OD1 2.94Å; R618-N702 VanDerWaalsContact NH2-OD1 3.12Å; F674-N702 HydrophobicContact CB-CB 4.33Å; F674-N702 HydrophobicContact CD1-CB 3.43Å; F674-N702 HydrophobicContact CD2-CB 4.41Å; F674-N702 HydrophobicContact CE1-CB 3.44Å; F674-N702 HydrophobicContact CE2-CB 4.2Å; F674-N702 HydrophobicContact CG-CB 3.91Å; F674-N702 HydrophobicContact CZ-CB 3.92Å; S676-N702 CarbonylContact O-C 3.45Å; S676-N702 WeakPolarHBondContact O-CA 3.35Å; E677-N702 WeakPolarHBondContact CB-OD1 3.32Å; E677-N702 WeakPolarHBondContact CG-OD1 3.39Å; R700-N702 VanDerWaalsContact CD-OD1 3.23Å; R700-N702 WeakPolarHBondContact CD-OD1 3.41Å |
| 703 | S | 88.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.9 | 174.6 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | G675 S676 E705 A708 | G675-S703 WeakPolarHBondContact CA-O 3.37Å; G675-S703 PolarHBondContact N-O 3.3Å; S676-S703 PolarHBondContact N-O 3.24Å; S676-S703 VanDerWaalsContact N-O 3.12Å; S676-S703 PolarHBondContact O-N 2.91Å; S703-E705 PolarHBondContact O-N 2.82Å; S703-E705 PolarHBondContact OG-N 3.38Å; S703-A708 WeakPolarHBondContact OG-CB 3.33Å |
| 704 | P | 83.7 | Confident | 88.5 | Confident | 74.3333 Ų | 74.3333 | 21.1 Ų | 21.1 | 48% | 0.483 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -71.3 | -16.3 | 171.4 | 31.2 | -35.6 | 0 | 0 | 0 | 112.9 | R643 | R643-P704 PolarHBondContact NH1-O 2.98Å; R643-P704 PolarHBondContact NH2-O 3Å |
| 705 | E | 84 | Confident | 88.7 | Confident | 78 Ų | 78 | 20.9 Ų | 20.9 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | trans | -81 | 127.5 | -179 | -65.9 | -58.3 | 158.5 | 0 | 0 | 111.9 | S676 S703 S707 A708 | S676-E705 WeakPolarHBondContact CB-O 3.34Å; S676-E705 PolarHBondContact OG-O 3.26Å; S703-E705 PolarHBondContact O-N 2.82Å; S703-E705 PolarHBondContact OG-N 3.38Å; E705-S707 VanDerWaalsContact C-N 3.28Å; E705-S707 PolarHBondContact O-N 3.17Å; E705-A708 HydrophobicContact CB-CB 4.12Å; E705-A708 VanDerWaalsContact O-CB 3.23Å; E705-A708 WeakPolarHBondContact O-CB 3.32Å; E705-A708 PolarHBondContact O-N 3.04Å | ||
| 706 | L | 79.8 | Confident | 88.4 | Confident | 38.3333 Ų | 38.3333 | 21.1 Ų | 21.1 | 20% | 0.201 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.5 | -178.7 | -67.2 | 169.7 | 0 | 0 | 0 | 113.4 | H639 R643 F674 S676 A708 | H639-L706 HydrophobicContact CB-CD2 4.33Å; H639-L706 VanDerWaalsContact O-CD2 3.25Å; H639-L706 WeakPolarHBondContact O-CD2 3.44Å; R643-L706 HydrophobicContact CG-CD1 4.4Å; F674-L706 HydrophobicContact CB-CD2 4.26Å; S676-L706 WeakPolarHBondContact OG-CA 3.41Å; S676-L706 PolarHBondContact OG-O 2.93Å; S676-L706 VanDerWaalsContact OG-O 3.08Å; L706-A708 VanDerWaalsContact C-N 3.33Å |
| 707 | S | 80.5 | Confident | 88.1 | Confident | 34.3333 Ų | 34.3333 | 19.5 Ų | 19.5 | 24% | 0.24 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -15.3 | 177.7 | 40.5 | 0 | 0 | 0 | 0 | 113.5 | E705 S710 S738 G740 W820 | E705-S707 VanDerWaalsContact C-N 3.28Å; E705-S707 PolarHBondContact O-N 3.17Å; S707-S710 WeakPolarHBondContact O-CB 3.43Å; S707-S710 PolarHBondContact O-N 2.89Å; S707-S710 PolarHBondContact O-OG 3.24Å; S707-S738 PolarHBondContact O-OG 3.18Å; S707-G740 VanDerWaalsContact OG-CA 3.3Å; S707-G740 WeakPolarHBondContact OG-CA 3.43Å; S707-G740 PolarHBondContact OG-O 3Å; S707-W820 VanDerWaalsContact CB-CD1 3.47Å |
| 708 | A | 87.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 143.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | H638 S676 S703 E705 L706 S710 S738 D739 | H638-A708 PolarHBondContact CE1-O 2.87Å; S676-A708 VanDerWaalsContact CB-O 3.28Å; S676-A708 WeakPolarHBondContact CB-O 3.31Å; S676-A708 PolarHBondContact OG-O 2.94Å; S676-A708 VanDerWaalsContact OG-O 3.1Å; S703-A708 WeakPolarHBondContact OG-CB 3.33Å; E705-A708 HydrophobicContact CB-CB 4.12Å; E705-A708 VanDerWaalsContact O-CB 3.23Å; E705-A708 WeakPolarHBondContact O-CB 3.32Å; E705-A708 PolarHBondContact O-N 3.04Å; L706-A708 VanDerWaalsContact C-N 3.33Å; A708-S710 PolarHBondContact O-N 3.22Å; A708-S710 VanDerWaalsContact O-N 3.08Å; A708-S738 CarbonylContact C-O 3.46Å; A708-S738 WeakPolarHBondContact CA-O 3.39Å; A708-D739 WeakPolarHBondContact CB-O 3.34Å |
| 709 | F | 90.7 | Very high | 87.4 | Confident | 3.66667 Ų | 3.66667 | 21.6 Ų | 21.6 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 15.2 | -179.8 | -39.4 | -57.4 | 0 | 0 | 0 | 115.8 | T636 L678 I701 N711 V712 A737 S738 | T636-F709 WeakPolarHBondContact CB-O 3.38Å; T636-F709 HydrophobicContact CG2-CB 3.92Å; T636-F709 VanDerWaalsContact CG2-O 3.27Å; T636-F709 WeakPolarHBondContact CG2-O 3.39Å; T636-F709 PolarHBondContact OG1-O 3.28Å; T636-F709 VanDerWaalsContact OG1-O 3.08Å; L678-F709 HydrophobicContact CB-CB 4.1Å; L678-F709 HydrophobicContact CB-CD1 4Å; L678-F709 HydrophobicContact CB-CD2 3.81Å; L678-F709 HydrophobicContact CB-CE1 4.39Å; L678-F709 HydrophobicContact CB-CE2 4.24Å; L678-F709 HydrophobicContact CB-CG 3.68Å; L678-F709 HydrophobicContact CB-CZ 4.45Å; L678-F709 HydrophobicContact CD1-CB 4.17Å; L678-F709 HydrophobicContact CD1-CD1 3.7Å; L678-F709 HydrophobicContact CD1-CE1 4.38Å; L678-F709 HydrophobicContact CD1-CG 4.02Å; L678-F709 HydrophobicContact CG-CD1 4.45Å; L678-F709 HydrophobicContact CG-CG 4.47Å; I701-F709 HydrophobicContact CB-CE2 4.42Å; I701-F709 HydrophobicContact CB-CZ 4.12Å; I701-F709 HydrophobicContact CG2-CE1 4.42Å; I701-F709 HydrophobicContact CG2-CE2 4.15Å; I701-F709 HydrophobicContact CG2-CZ 3.57Å; F709-N711 VanDerWaalsContact C-N 3.26Å; F709-N711 PolarHBondContact O-N 2.98Å; F709-V712 HydrophobicContact CB-CG2 4.44Å; F709-A737 HydrophobicContact CD1-CB 3.96Å; F709-S738 WeakPolarHBondContact CD1-O 3.41Å; F709-S738 PolarHBondContact N-O 3.13Å; F709-S738 PolarHBondContact N-OG 3.33Å; F709-S738 VanDerWaalsContact N-OG 3.14Å |
| 710 | S | 86.3 | Confident | 86.7 | Confident | 25.3333 Ų | 25.3333 | 23.2 Ų | 23.2 | 18% | 0.177 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -61.4 | -34.8 | 174.5 | 51 | 0 | 0 | 0 | 0 | 112.1 | H638 S707 A708 S738 W820 | H638-S710 PolarHBondContact CE1-N 2.91Å; H638-S710 VanDerWaalsContact NE2-CA 3.32Å; H638-S710 WeakPolarHBondContact NE2-CA 3.29Å; S707-S710 WeakPolarHBondContact O-CB 3.43Å; S707-S710 PolarHBondContact O-N 2.89Å; S707-S710 PolarHBondContact O-OG 3.24Å; A708-S710 PolarHBondContact O-N 3.22Å; A708-S710 VanDerWaalsContact O-N 3.08Å; S710-S738 PolarHBondContact N-OG 3.12Å; S710-S738 VanDerWaalsContact N-OG 3.16Å; S710-S738 PolarHBondContact OG-OG 3.15Å; S710-S738 VanDerWaalsContact OG-OG 3.13Å; S710-W820 WeakPolarHBondContact OG-CB 3.42Å |
| 711 | N | 88.5 | Confident | 85.8 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -123.1 | 134 | 173.2 | -62.5 | 66.1 | 0 | 0 | 0 | 110.1 | R623 F709 A737 S738 W820 V823 M826 | R623-N711 PolarHBondContact NH1-OD1 3.49Å; F709-N711 VanDerWaalsContact C-N 3.26Å; F709-N711 PolarHBondContact O-N 2.98Å; N711-A737 WeakPolarHBondContact O-CA 3.42Å; N711-S738 PolarHBondContact N-OG 3.35Å; N711-S738 PolarHBondContact O-N 3.01Å; N711-S738 VanDerWaalsContact O-N 3.14Å; N711-W820 PolarHBondContact ND2-O 2.78Å; N711-W820 PolarHBondContact OD1-O 3.14Å; N711-V823 WeakPolarHBondContact ND2-CB 3.46Å; N711-V823 VanDerWaalsContact ND2-CG1 3.33Å; N711-V823 WeakPolarHBondContact ND2-CG1 3.41Å; N711-V823 PolarHBondContact ND2-O 3.43Å; N711-M826 VanDerWaalsContact C-CE 3.43Å; N711-M826 HydrophobicContact CB-CB 4.35Å; N711-M826 HydrophobicContact CB-CE 3.96Å; N711-M826 HydrophobicContact CB-SD 3.85Å |
| 712 | V | 93.3 | Very high | 84.7 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 138.3 | 179.2 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | R623 A625 L634 T636 L678 F709 F735 I736 A737 M826 | R623-V712 PolarHBondContact NE-O 2.9Å; R623-V712 PolarHBondContact NH2-O 3.31Å; A625-V712 HydrophobicContact CB-CG1 4.28Å; L634-V712 HydrophobicContact CB-CG1 4.37Å; L634-V712 HydrophobicContact CD1-CG1 3.46Å; L634-V712 VanDerWaalsContact CD1-CG1 3.46Å; T636-V712 HydrophobicContact CG2-CB 4.43Å; T636-V712 HydrophobicContact CG2-CG2 3.55Å; L678-V712 HydrophobicContact CD1-CG1 4.48Å; L678-V712 HydrophobicContact CD1-CG2 3.91Å; F709-V712 HydrophobicContact CB-CG2 4.44Å; V712-F735 HydrophobicContact CG1-CD2 4.16Å; V712-I736 WeakPolarHBondContact CA-O 3.4Å; V712-A737 HydrophobicContact CG2-CB 3.8Å; V712-M826 VanDerWaalsContact C-CE 3.46Å; V712-M826 VanDerWaalsContact CA-CE 3.5Å; V712-M826 VanDerWaalsContact N-CE 3.29Å |
| 713 | A | 93.4 | Very high | 83.8 | Confident | 5.66667 Ų | 5.66667 | 26.1 Ų | 26.1 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 137.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F735 I736 M826 V828 | A713-F735 CarbonylContact O-C 3.55Å; A713-F735 WeakPolarHBondContact O-CA 3.41Å; A713-F735 WeakPolarHBondContact O-CB 3.36Å; A713-I736 PolarHBondContact N-O 3.05Å; A713-I736 PolarHBondContact O-N 3.18Å; A713-M826 HydrophobicContact CB-CE 3.79Å; A713-M826 HydrophobicContact CB-CG 4.39Å; A713-M826 VanDerWaalsContact N-CE 3.33Å; A713-V828 HydrophobicContact CB-CG2 3.98Å |
| 714 | W | 94 | Very high | 83 | Confident | 14.6667 Ų | 14.6667 | 26 Ų | 26 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.1 | 172.7 | -76.1 | 104.9 | 0 | 0 | 0 | 110.6 | A625 C626 H627 L632 L634 L680 F735 A748 V828 | A625-W714 PolarHBondContact O-NE1 2.98Å; C626-W714 VanDerWaalsContact C-CD1 3.49Å; C626-W714 VanDerWaalsContact O-CD1 3.27Å; H627-W714 HydrophobicContact CB-CD2 4.14Å; H627-W714 HydrophobicContact CB-CG 4.35Å; H627-W714 HydrophobicContact CB-CZ2 4.19Å; H627-W714 AromaticContact CD2-CD2 3.68Å; H627-W714 AromaticContact CD2-CE2 3.99Å; H627-W714 AromaticContact CD2-CE3 3.48Å; H627-W714 VanDerWaalsContact CD2-CE3 3.47Å; H627-W714 AromaticContact CD2-CH2 3.99Å; H627-W714 AromaticContact CD2-CZ3 3.78Å; L632-W714 HydrophobicContact CB-CZ2 4.35Å; L632-W714 HydrophobicContact CD1-CH2 4.32Å; L634-W714 HydrophobicContact CD1-CD2 4.28Å; L634-W714 HydrophobicContact CD1-CH2 4.18Å; L634-W714 HydrophobicContact CD1-CZ2 3.7Å; L634-W714 HydrophobicContact CD2-CH2 4.24Å; L634-W714 HydrophobicContact CD2-CZ2 3.98Å; L634-W714 HydrophobicContact CG-CH2 4.17Å; L634-W714 HydrophobicContact CG-CZ2 3.44Å; L634-W714 VanDerWaalsContact CG-CZ2 3.44Å; L680-W714 HydrophobicContact CD1-CH2 3.85Å; L680-W714 HydrophobicContact CD1-CZ2 4.04Å; W714-F735 HydrophobicContact CD2-CB 4.1Å; W714-F735 HydrophobicContact CE3-CB 3.7Å; W714-F735 HydrophobicContact CE3-CD1 4.41Å; W714-F735 HydrophobicContact CE3-CG 4.46Å; W714-F735 HydrophobicContact CH2-CD1 4.22Å; W714-F735 HydrophobicContact CZ3-CB 4.07Å; W714-F735 AromaticContact CZ3-CD1 3.89Å; W714-F735 HydrophobicContact CZ3-CD1 3.89Å; W714-F735 HydrophobicContact CZ3-CG 4.42Å; W714-A748 HydrophobicContact CH2-CB 4.2Å; W714-A748 HydrophobicContact CZ3-CB 4.29Å; W714-V828 WeakPolarHBondContact O-CB 3.41Å |
| 715 | I | 91.3 | Very high | 82.2 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.5 | 162.6 | -57.3 | -178.7 | 0 | 0 | 0 | 106.4 | S717 C734 I736 V745 V828 F869 V892 L894 | I715-S717 PolarHBondContact O-N 2.91Å; I715-C734 HydrophobicContact CB-CB 4.28Å; I715-C734 WeakPolarHBondContact CB-O 3.38Å; I715-C734 HydrophobicContact CD1-CB 3.81Å; I715-C734 HydrophobicContact CG1-CB 4.3Å; I715-C734 PolarHBondContact N-O 3.1Å; I715-I736 HydrophobicContact CD1-CD1 4.1Å; I715-I736 HydrophobicContact CD1-CG1 3.97Å; I715-I736 HydrophobicContact CG1-CD1 4.23Å; I715-I736 HydrophobicContact CG1-CG1 4.04Å; I715-V745 HydrophobicContact CD1-CG1 4.08Å; I715-V828 HydrophobicContact CG1-CG1 4.4Å; I715-V828 HydrophobicContact CG2-CG1 4.42Å; I715-F869 HydrophobicContact CG2-CB 4.44Å; I715-F869 HydrophobicContact CG2-CD1 3.6Å; I715-F869 HydrophobicContact CG2-CD2 3.64Å; I715-F869 HydrophobicContact CG2-CE1 3.55Å; I715-F869 VanDerWaalsContact CG2-CE1 3.47Å; I715-F869 HydrophobicContact CG2-CE2 3.65Å; I715-F869 HydrophobicContact CG2-CG 3.65Å; I715-F869 HydrophobicContact CG2-CZ 3.61Å; I715-V892 HydrophobicContact CD1-CG1 4.47Å; I715-L894 HydrophobicContact CB-CD1 4.47Å; I715-L894 HydrophobicContact CD1-CD1 4.16Å; I715-L894 HydrophobicContact CD1-CD2 4.34Å; I715-L894 HydrophobicContact CD1-CG 4.3Å; I715-L894 HydrophobicContact CG2-CD1 3.79Å |
| 716 | P | 85.1 | Confident | 81.2 | Confident | 26.3333 Ų | 26.3333 | 31.6 Ų | 31.6 | 17% | 0.171 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 53.7 | -169.1 | 33.9 | -38.7 | 0 | 0 | 0 | 112.9 | P628 F869 H961 | P628-P716 HydrophobicContact CG-CB 3.96Å; P716-F869 HydrophobicContact CG-CD1 4.06Å; P716-F869 HydrophobicContact CG-CE1 4.05Å; P716-H961 VanDerWaalsContact CG-CE1 3.49Å; P716-H961 WeakPolarHBondContact CG-CE1 3.45Å |
| 717 | S | 81.8 | Confident | 80.5 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 149.2 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | I715 S733 F865 D867 F869 | I715-S717 PolarHBondContact O-N 2.91Å; S717-S733 PolarHBondContact O-OG 2.95Å; S717-F865 WeakPolarHBondContact OG-CZ 3.38Å; S717-D867 PolarHBondContact OG-OD2 3.01Å; S717-F869 VanDerWaalsContact CB-CZ 3.44Å |
| 718 | V | 84 | Confident | 80 | Confident | 50.3333 Ų | 50.3333 | 30.1 Ų | 30.1 | 31% | 0.305 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.9 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 107.3 | I629 L630 A731 | I629-V718 HydrophobicContact CB-CG2 4.32Å; I629-V718 HydrophobicContact CD1-CG2 4.18Å; I629-V718 HydrophobicContact CG2-CG2 4.23Å; L630-V718 HydrophobicContact CD1-CG1 4.38Å; L630-V718 HydrophobicContact CD1-CG2 3.95Å; L630-V718 HydrophobicContact CD2-CG1 4.26Å; L630-V718 HydrophobicContact CD2-CG2 4.02Å; L630-V718 HydrophobicContact CG-CG2 3.84Å; V718-A731 HydrophobicContact CG1-CB 4.44Å |
| 719 | L | 82 | Confident | 79.5 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 135.7 | -177.7 | -64.5 | 168.7 | 0 | 0 | 0 | 110.2 | T723 S732 C734 Q747 F865 L894 I912 | L719-T723 HydrophobicContact CB-CG2 4.14Å; L719-T723 HydrophobicContact CD2-CG2 4.38Å; L719-S732 WeakPolarHBondContact CB-O 3.4Å; L719-S732 WeakPolarHBondContact CB-OG 3.44Å; L719-S732 PolarHBondContact N-O 3.2Å; L719-C734 VanDerWaalsContact CD1-SG 3.53Å; L719-Q747 HydrophobicContact CD1-CG 4.17Å; L719-F865 HydrophobicContact CD2-CD1 3.89Å; L719-F865 HydrophobicContact CD2-CE1 3.5Å; L719-F865 VanDerWaalsContact CD2-CE1 3.46Å; L719-F865 HydrophobicContact CD2-CE2 4.33Å; L719-F865 HydrophobicContact CD2-CG 4.36Å; L719-F865 HydrophobicContact CD2-CZ 3.79Å; L719-L894 HydrophobicContact CD2-CD1 4.35Å; L719-I912 HydrophobicContact CD1-CD1 3.43Å; L719-I912 VanDerWaalsContact CD1-CD1 3.43Å; L719-I912 HydrophobicContact CD2-CD1 3.82Å; L719-I912 HydrophobicContact CG-CD1 4.17Å |
| 720 | P | 75 | Confident | 79 | Confident | 33.6667 Ų | 33.6667 | 37.5 Ų | 37.5 | 22% | 0.219 | 21% | 0.212 | C | C | . | . | trans | -60.4 | 149.1 | 173.6 | 9.3 | -11.4 | 0 | 0 | 0 | 110.9 | S722 T723 R859 F865 | P720-S722 WeakPolarHBondContact CB-OG 3.36Å; P720-S722 PolarHBondContact O-N 3.25Å; P720-S722 VanDerWaalsContact O-N 3.13Å; P720-T723 HydrophobicContact CB-CG2 4.48Å; P720-T723 HydrophobicContact CG-CG2 3.99Å; P720-T723 WeakPolarHBondContact O-CB 3.28Å; P720-T723 VanDerWaalsContact O-CG2 3.29Å; P720-T723 WeakPolarHBondContact O-CG2 3.38Å; P720-T723 PolarHBondContact O-N 2.97Å; P720-T723 VanDerWaalsContact O-N 3.09Å; P720-T723 PolarHBondContact O-OG1 3.05Å; P720-R859 HydrophobicContact CG-CB 4.26Å; P720-F865 HydrophobicContact CG-CB 4.29Å; P720-F865 HydrophobicContact CG-CD2 4.06Å; P720-F865 HydrophobicContact CG-CE2 4.45Å; P720-F865 HydrophobicContact CG-CG 4.14Å | ||
| 721 | S | 72.1 | Confident | 78.8 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -60 | -26 | 179.7 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | T723 L724 N729 | S721-T723 PolarHBondContact O-N 3.26Å; S721-T723 VanDerWaalsContact O-N 3.11Å; S721-L724 PolarHBondContact O-N 3.28Å; S721-N729 VanDerWaalsContact CB-C 3.49Å; S721-N729 WeakPolarHBondContact CB-O 3.38Å |
| 722 | S | 68.6 | Low | 78.7 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 43% | 0.427 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -57.1 | -22.9 | 174 | 55.7 | 0 | 0 | 0 | 0 | 114 | P720 L724 G725 E862 | P720-S722 WeakPolarHBondContact CB-OG 3.36Å; P720-S722 PolarHBondContact O-N 3.25Å; P720-S722 VanDerWaalsContact O-N 3.13Å; S722-L724 VanDerWaalsContact C-N 3.25Å; S722-L724 PolarHBondContact O-N 3.14Å; S722-G725 PolarHBondContact O-N 3.24Å; S722-G725 VanDerWaalsContact O-N 3.08Å; S722-E862 PolarHBondContact OG-O 3.45Å |
| 723 | T | 69.8 | Low | 78.6 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -64.3 | -24.1 | 179.2 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | L719 P720 S721 G725 A896 I912 | L719-T723 HydrophobicContact CB-CG2 4.14Å; L719-T723 HydrophobicContact CD2-CG2 4.38Å; P720-T723 HydrophobicContact CB-CG2 4.48Å; P720-T723 HydrophobicContact CG-CG2 3.99Å; P720-T723 WeakPolarHBondContact O-CB 3.28Å; P720-T723 VanDerWaalsContact O-CG2 3.29Å; P720-T723 WeakPolarHBondContact O-CG2 3.38Å; P720-T723 PolarHBondContact O-N 2.97Å; P720-T723 VanDerWaalsContact O-N 3.09Å; P720-T723 PolarHBondContact O-OG1 3.05Å; S721-T723 PolarHBondContact O-N 3.26Å; S721-T723 VanDerWaalsContact O-N 3.11Å; T723-G725 VanDerWaalsContact C-N 3.35Å; T723-A896 HydrophobicContact CG2-CB 3.53Å; T723-A896 VanDerWaalsContact CG2-CB 3.43Å; T723-I912 HydrophobicContact CG2-CD1 4.35Å; T723-I912 HydrophobicContact CG2-CG1 4.29Å |
| 724 | L | 71.2 | Confident | 78.6 | Confident | 12.3333 Ų | 12.3333 | 37.6 Ų | 37.6 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -96.1 | 7 | 176.3 | -65.9 | 171 | 0 | 0 | 0 | 112.6 | S721 S722 S727 V749 I808 | S721-L724 PolarHBondContact O-N 3.28Å; S722-L724 VanDerWaalsContact C-N 3.25Å; S722-L724 PolarHBondContact O-N 3.14Å; L724-S727 PolarHBondContact O-N 3.44Å; L724-S727 PolarHBondContact O-OG 3.1Å; L724-V749 HydrophobicContact CD1-CB 4.44Å; L724-V749 HydrophobicContact CD1-CG1 3.78Å; L724-V749 HydrophobicContact CD1-CG2 3.77Å; L724-V749 HydrophobicContact CD2-CG2 4.26Å; L724-I808 HydrophobicContact CD2-CD1 3.84Å |
| 725 | G | 67 | Low | 78.7 | Confident | 31.6667 Ų | 31.6667 | 36.9 Ų | 36.9 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | 64.4 | -150.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S722 T723 S727 | S722-G725 PolarHBondContact O-N 3.24Å; S722-G725 VanDerWaalsContact O-N 3.08Å; T723-G725 VanDerWaalsContact C-N 3.35Å; G725-S727 VanDerWaalsContact C-N 3.27Å; G725-S727 PolarHBondContact O-N 3.11Å |
| 726 | R | 64.6 | Low | 78.8 | Confident | 237.667 Ų | 237.667 | 36.9 Ų | 36.9 | 90% | 0.897 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -76.8 | -8.1 | -178.6 | -67.4 | -177.2 | -179.1 | 172.6 | -0.2 | 114.1 | ||
| 727 | S | 63.9 | Low | 79.3 | Confident | 35 Ų | 35 | 35.6 Ų | 35.6 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -80.3 | -22.3 | -173.8 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | L724 G725 | L724-S727 PolarHBondContact O-N 3.44Å; L724-S727 PolarHBondContact O-OG 3.1Å; G725-S727 VanDerWaalsContact C-N 3.27Å; G725-S727 PolarHBondContact O-N 3.11Å |
| 728 | S | 70.3 | Confident | 79.7 | Confident | 7.33333 Ų | 7.33333 | 35 Ų | 35 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | trans | -154.9 | 127.1 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | S730 | S728-S730 VanDerWaalsContact C-N 3.33Å; S728-S730 PolarHBondContact O-N 3.18Å; S728-S730 VanDerWaalsContact OG-CB 3.28Å; S728-S730 WeakPolarHBondContact OG-CB 3.14Å; S728-S730 PolarHBondContact OG-N 3.16Å; S728-S730 VanDerWaalsContact OG-N 3.15Å; S728-S730 PolarHBondContact OG-OG 3.31Å | ||
| 729 | N | 75.7 | Confident | 79.9 | Confident | 139.667 Ų | 139.667 | 33.9 Ų | 33.9 | 75% | 0.747 | 19% | 0.192 | S | C | * | . | trans | -90 | 11.8 | 170.6 | -73.2 | -17.1 | 0 | 0 | 0 | 112.7 | S721 | S721-N729 VanDerWaalsContact CB-C 3.49Å; S721-N729 WeakPolarHBondContact CB-O 3.38Å | ||
| 730 | S | 81.7 | Confident | 79.9 | Confident | 18.6667 Ų | 18.6667 | 34.3 Ų | 34.3 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | trans | -75.3 | 140.9 | -178.1 | -135.7 | 0 | 0 | 0 | 0 | 111.7 | S728 L750 D751 | S728-S730 VanDerWaalsContact C-N 3.33Å; S728-S730 PolarHBondContact O-N 3.18Å; S728-S730 VanDerWaalsContact OG-CB 3.28Å; S728-S730 WeakPolarHBondContact OG-CB 3.14Å; S728-S730 PolarHBondContact OG-N 3.16Å; S728-S730 VanDerWaalsContact OG-N 3.15Å; S728-S730 PolarHBondContact OG-OG 3.31Å; S730-L750 PolarHBondContact OG-N 2.76Å; S730-D751 VanDerWaalsContact CB-O 3.25Å; S730-D751 WeakPolarHBondContact CB-O 3.46Å; S730-D751 WeakPolarHBondContact OG-CB 3.48Å; S730-D751 PolarHBondContact OG-N 2.88Å; S730-D751 PolarHBondContact OG-O 3.27Å | ||
| 731 | A | 81.5 | Confident | 80.3 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | trans | -61.3 | 148.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V718 L750 | V718-A731 HydrophobicContact CG1-CB 4.44Å; A731-L750 HydrophobicContact CB-CD1 4.23Å; A731-L750 WeakPolarHBondContact O-CD1 3.26Å; A731-L750 WeakPolarHBondContact O-CG 3.44Å; A731-L750 PolarHBondContact O-N 3.07Å | ||
| 732 | S | 87.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 162.6 | 176.6 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | L719 Q747 A748 | L719-S732 WeakPolarHBondContact CB-O 3.4Å; L719-S732 WeakPolarHBondContact CB-OG 3.44Å; L719-S732 PolarHBondContact N-O 3.2Å; S732-Q747 PolarHBondContact OG-NE2 3.15Å; S732-A748 CarbonylContact C-O 3.54Å; S732-A748 WeakPolarHBondContact CA-O 3.37Å; S732-A748 VanDerWaalsContact CB-O 3.24Å; S732-A748 WeakPolarHBondContact CB-O 3.39Å |
| 733 | S | 91.4 | Very high | 82.2 | Confident | 0.333333 Ų | 0.333333 | 34.8 Ų | 34.8 | 0% | 0.002 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.3 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | H627 S717 A748 | H627-S733 PolarHBondContact CD2-OG 3.19Å; H627-S733 VanDerWaalsContact CD2-OG 3.3Å; H627-S733 VanDerWaalsContact NE2-CB 3.35Å; H627-S733 WeakPolarHBondContact NE2-CB 3.37Å; H627-S733 PolarHBondContact NE2-OG 3.23Å; S717-S733 PolarHBondContact O-OG 2.95Å; S733-A748 PolarHBondContact N-O 3.17Å; S733-A748 PolarHBondContact O-N 3.11Å |
| 734 | C | 93.3 | Very high | 83.2 | Confident | 1.33333 Ų | 1.33333 | 37.1 Ų | 37.1 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 148.6 | -179.5 | -73.4 | 0 | 0 | 0 | 0 | 112.3 | I715 L719 V745 Y746 L894 | I715-C734 HydrophobicContact CB-CB 4.28Å; I715-C734 WeakPolarHBondContact CB-O 3.38Å; I715-C734 HydrophobicContact CD1-CB 3.81Å; I715-C734 HydrophobicContact CG1-CB 4.3Å; I715-C734 PolarHBondContact N-O 3.1Å; L719-C734 VanDerWaalsContact CD1-SG 3.53Å; C734-V745 HydrophobicContact CB-CG1 4.25Å; C734-Y746 CarbonylContact C-O 3.54Å; C734-Y746 WeakPolarHBondContact CA-O 3.4Å; C734-L894 HydrophobicContact CB-CD1 4.24Å; C734-L894 HydrophobicContact CB-CD2 4.39Å |
| 735 | F | 95.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.2 | 170.1 | 66.1 | -90.7 | 0 | 0 | 0 | 110.5 | L634 L678 I701 V712 A713 W714 A737 V745 Y746 A748 I807 | L634-F735 HydrophobicContact CD1-CB 3.88Å; L634-F735 HydrophobicContact CD1-CD1 3.85Å; L634-F735 HydrophobicContact CD1-CD2 3.64Å; L634-F735 HydrophobicContact CD1-CE1 4.23Å; L634-F735 HydrophobicContact CD1-CE2 4.05Å; L634-F735 HydrophobicContact CD1-CG 3.52Å; L634-F735 VanDerWaalsContact CD1-CG 3.46Å; L634-F735 HydrophobicContact CD1-CZ 4.31Å; L634-F735 HydrophobicContact CD2-CE1 4.38Å; L634-F735 HydrophobicContact CD2-CZ 4.3Å; L678-F735 HydrophobicContact CD1-CE2 3.83Å; L678-F735 HydrophobicContact CD1-CZ 4.38Å; L678-F735 HydrophobicContact CD2-CE2 4.35Å; L678-F735 HydrophobicContact CD2-CZ 4.07Å; I701-F735 HydrophobicContact CD1-CZ 4.48Å; V712-F735 HydrophobicContact CG1-CD2 4.16Å; A713-F735 CarbonylContact O-C 3.55Å; A713-F735 WeakPolarHBondContact O-CA 3.41Å; A713-F735 WeakPolarHBondContact O-CB 3.36Å; W714-F735 HydrophobicContact CD2-CB 4.1Å; W714-F735 HydrophobicContact CE3-CB 3.7Å; W714-F735 HydrophobicContact CE3-CD1 4.41Å; W714-F735 HydrophobicContact CE3-CG 4.46Å; W714-F735 HydrophobicContact CH2-CD1 4.22Å; W714-F735 HydrophobicContact CZ3-CB 4.07Å; W714-F735 AromaticContact CZ3-CD1 3.89Å; W714-F735 HydrophobicContact CZ3-CD1 3.89Å; W714-F735 HydrophobicContact CZ3-CG 4.42Å; F735-A737 HydrophobicContact CD2-CB 4.27Å; F735-A737 HydrophobicContact CE2-CB 4.22Å; F735-V745 WeakPolarHBondContact O-CA 3.31Å; F735-Y746 HydrophobicContact CD2-CD2 4.06Å; F735-Y746 HydrophobicContact CD2-CG 4.4Å; F735-Y746 AromaticContact CE2-CD2 3.6Å; F735-Y746 HydrophobicContact CE2-CD2 3.6Å; F735-Y746 HydrophobicContact CE2-CE2 4.48Å; F735-Y746 AromaticContact CE2-CG 3.75Å; F735-Y746 HydrophobicContact CE2-CG 3.75Å; F735-Y746 VanDerWaalsContact CZ-CB 3.43Å; F735-Y746 HydrophobicContact CZ-CD2 4.19Å; F735-Y746 AromaticContact CZ-CG 3.83Å; F735-Y746 HydrophobicContact CZ-CG 3.83Å; F735-Y746 PolarHBondContact N-O 3.19Å; F735-Y746 PolarHBondContact O-N 3.04Å; F735-A748 HydrophobicContact CD1-CB 4.34Å; F735-A748 HydrophobicContact CE1-CB 4.19Å; F735-I807 HydrophobicContact CE1-CD1 4.32Å; F735-I807 HydrophobicContact CE1-CG1 4.33Å; F735-I807 HydrophobicContact CE1-CG2 3.94Å; F735-I807 HydrophobicContact CZ-CD1 4.14Å; F735-I807 HydrophobicContact CZ-CG1 4.45Å; F735-I807 HydrophobicContact CZ-CG2 3.88Å |
| 736 | I | 94.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.9 | 177.3 | -53.5 | -178.3 | 0 | 0 | 0 | 107.9 | V712 A713 I715 L743 R744 V745 I813 M826 V828 L871 V892 | V712-I736 WeakPolarHBondContact CA-O 3.4Å; A713-I736 PolarHBondContact N-O 3.05Å; A713-I736 PolarHBondContact O-N 3.18Å; I715-I736 HydrophobicContact CD1-CD1 4.1Å; I715-I736 HydrophobicContact CD1-CG1 3.97Å; I715-I736 HydrophobicContact CG1-CD1 4.23Å; I715-I736 HydrophobicContact CG1-CG1 4.04Å; I736-L743 HydrophobicContact CG2-CB 3.97Å; I736-L743 HydrophobicContact CG2-CD1 4.35Å; I736-L743 HydrophobicContact CG2-CG 4.48Å; I736-R744 WeakPolarHBondContact CA-O 3.42Å; I736-V745 HydrophobicContact CD1-CG2 4.4Å; I736-V745 HydrophobicContact CG1-CG1 4.4Å; I736-V745 HydrophobicContact CG1-CG2 4.19Å; I736-I813 HydrophobicContact CD1-CD1 4.27Å; I736-I813 HydrophobicContact CG2-CD1 4.28Å; I736-M826 WeakPolarHBondContact O-CE 3.38Å; I736-V828 HydrophobicContact CD1-CG2 4.16Å; I736-L871 HydrophobicContact CD1-CB 4.46Å; I736-L871 HydrophobicContact CD1-CD1 4.33Å; I736-L871 HydrophobicContact CD1-CD2 4.09Å; I736-L871 HydrophobicContact CD1-CG 4.5Å; I736-L871 HydrophobicContact CG2-CD2 4.35Å; I736-V892 HydrophobicContact CD1-CG2 4.31Å |
| 737 | A | 94.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L678 F709 N711 V712 F735 D739 R744 Y746 | L678-A737 HydrophobicContact CD1-CB 4.42Å; F709-A737 HydrophobicContact CD1-CB 3.96Å; N711-A737 WeakPolarHBondContact O-CA 3.42Å; V712-A737 HydrophobicContact CG2-CB 3.8Å; F735-A737 HydrophobicContact CD2-CB 4.27Å; F735-A737 HydrophobicContact CE2-CB 4.22Å; A737-D739 PolarHBondContact O-N 3.08Å; A737-R744 PolarHBondContact N-O 3.02Å; A737-R744 VanDerWaalsContact N-O 3.07Å; A737-R744 PolarHBondContact O-N 2.87Å; A737-Y746 HydrophobicContact CB-CD2 4.19Å; A737-Y746 HydrophobicContact CB-CE2 3.88Å |
| 738 | S | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.9 | 169.8 | 87 | 0 | 0 | 0 | 0 | 110.1 | S707 A708 F709 S710 N711 G740 C742 W820 | S707-S738 PolarHBondContact O-OG 3.18Å; A708-S738 CarbonylContact C-O 3.46Å; A708-S738 WeakPolarHBondContact CA-O 3.39Å; F709-S738 WeakPolarHBondContact CD1-O 3.41Å; F709-S738 PolarHBondContact N-O 3.13Å; F709-S738 PolarHBondContact N-OG 3.33Å; F709-S738 VanDerWaalsContact N-OG 3.14Å; S710-S738 PolarHBondContact N-OG 3.12Å; S710-S738 VanDerWaalsContact N-OG 3.16Å; S710-S738 PolarHBondContact OG-OG 3.15Å; S710-S738 VanDerWaalsContact OG-OG 3.13Å; N711-S738 PolarHBondContact N-OG 3.35Å; N711-S738 PolarHBondContact O-N 3.01Å; N711-S738 VanDerWaalsContact O-N 3.14Å; S738-G740 VanDerWaalsContact C-N 3.33Å; S738-G740 PolarHBondContact OG-N 3.44Å; S738-C742 CarbonylContact C-O 3.57Å; S738-C742 VanDerWaalsContact CA-O 3.32Å; S738-C742 WeakPolarHBondContact CA-O 3.23Å; S738-W820 VanDerWaalsContact OG-CE2 3.24Å; S738-W820 PolarHBondContact OG-NE1 3.32Å |
| 739 | D | 86.7 | Confident | 89.1 | Confident | 27 Ų | 27 | 22.6 Ų | 22.6 | 14% | 0.144 | 12% | 0.121 | C | C | . | . | trans | -87.7 | -3 | 173.9 | 66.7 | 9.1 | 0 | 0 | 0 | 113.3 | A708 A737 Q741 C742 R744 | A708-D739 WeakPolarHBondContact CB-O 3.34Å; A737-D739 PolarHBondContact O-N 3.08Å; D739-Q741 PolarHBondContact OD1-N 3.18Å; D739-C742 PolarHBondContact N-O 3.16Å; D739-C742 PolarHBondContact OD1-N 3.12Å; D739-C742 VanDerWaalsContact OD1-O 3.09Å; D739-C742 PolarHBondContact OD1-SG 2.77Å; D739-C742 PolarHBondContact OD2-SG 3.04Å; D739-R744 HydrophobicContact CB-CB 4.28Å; D739-R744 IonicContact OD2-CZ 3.51Å; D739-R744 IonicContact OD2-NE 3.12Å; D739-R744 PolarHBondContact OD2-NE 3.1Å; D739-R744 IonicContact OD2-NH2 3.06Å; D739-R744 PolarHBondContact OD2-NH2 3.42Å | ||
| 740 | G | 82.3 | Confident | 89.7 | Confident | 11 Ų | 11 | 17.6 Ų | 17.6 | 11% | 0.113 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 115.6 | -31.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S707 S738 W820 | S707-G740 VanDerWaalsContact OG-CA 3.3Å; S707-G740 WeakPolarHBondContact OG-CA 3.43Å; S707-G740 PolarHBondContact OG-O 3Å; S738-G740 VanDerWaalsContact C-N 3.33Å; S738-G740 PolarHBondContact OG-N 3.44Å; G740-W820 PolarHBondContact O-NE1 3.37Å |
| 741 | Q | 84.3 | Confident | 90 | Very high | 139.667 Ų | 139.667 | 19 Ų | 19 | 65% | 0.653 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -107 | -49 | 179.7 | -62.2 | -178.2 | -5 | 0 | 0 | 111.4 | D739 | D739-Q741 PolarHBondContact OD1-N 3.18Š|
| 742 | C | 89 | Confident | 90.2 | Very high | 13 Ų | 13 | 17.1 Ų | 17.1 | 9% | 0.088 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -137.9 | 178 | -178 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | S738 D739 P812 A816 I817 | S738-C742 CarbonylContact C-O 3.57Å; S738-C742 VanDerWaalsContact CA-O 3.32Å; S738-C742 WeakPolarHBondContact CA-O 3.23Å; D739-C742 PolarHBondContact N-O 3.16Å; D739-C742 PolarHBondContact OD1-N 3.12Å; D739-C742 VanDerWaalsContact OD1-O 3.09Å; D739-C742 PolarHBondContact OD1-SG 2.77Å; D739-C742 PolarHBondContact OD2-SG 3.04Å; C742-P812 VanDerWaalsContact SG-CB 3.59Å; C742-A816 WeakPolarHBondContact CA-O 3.35Å; C742-I817 HydrophobicContact CB-CG1 4.34Å |
| 743 | L | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 140 | 166 | -65.2 | -177.7 | 0 | 0 | 0 | 110.1 | I736 I813 A816 W820 M826 L871 L873 | I736-L743 HydrophobicContact CG2-CB 3.97Å; I736-L743 HydrophobicContact CG2-CD1 4.35Å; I736-L743 HydrophobicContact CG2-CG 4.48Å; L743-I813 HydrophobicContact CB-CB 4.28Å; L743-I813 HydrophobicContact CB-CD1 4.28Å; L743-I813 PolarHBondContact O-N 2.93Å; L743-A816 HydrophobicContact CB-CB 4Å; L743-A816 HydrophobicContact CD1-CB 3.91Å; L743-A816 HydrophobicContact CG-CB 3.91Å; L743-A816 PolarHBondContact N-O 3.12Å; L743-W820 HydrophobicContact CD1-CH2 4.45Å; L743-W820 HydrophobicContact CD1-CZ3 4.43Å; L743-W820 HydrophobicContact CD2-CE3 4.31Å; L743-W820 HydrophobicContact CD2-CH2 3.56Å; L743-W820 HydrophobicContact CD2-CZ2 4.44Å; L743-W820 HydrophobicContact CD2-CZ3 3.44Å; L743-W820 VanDerWaalsContact CD2-CZ3 3.44Å; L743-W820 HydrophobicContact CG-CH2 3.62Å; L743-W820 HydrophobicContact CG-CZ3 3.85Å; L743-M826 HydrophobicContact CD1-SD 4.02Å; L743-M826 HydrophobicContact CD2-SD 3.89Å; L743-L871 HydrophobicContact CD1-CD2 3.61Å; L743-L873 HydrophobicContact CD1-CD1 4.44Å |
| 744 | R | 90.7 | Very high | 89.5 | Confident | 64 Ų | 64 | 25.6 Ų | 25.6 | 24% | 0.242 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 145.6 | 176.9 | -179.7 | 175.6 | -65.9 | -98.5 | 3.6 | 110.8 | I736 A737 D739 Y746 L810 | I736-R744 WeakPolarHBondContact CA-O 3.42Å; A737-R744 PolarHBondContact N-O 3.02Å; A737-R744 VanDerWaalsContact N-O 3.07Å; A737-R744 PolarHBondContact O-N 2.87Å; D739-R744 HydrophobicContact CB-CB 4.28Å; D739-R744 IonicContact OD2-CZ 3.51Å; D739-R744 IonicContact OD2-NE 3.12Å; D739-R744 PolarHBondContact OD2-NE 3.1Å; D739-R744 IonicContact OD2-NH2 3.06Å; D739-R744 PolarHBondContact OD2-NH2 3.42Å; R744-Y746 HydrophobicContact CB-CE2 3.81Å; R744-Y746 HydrophobicContact CG-CD2 4.47Å; R744-Y746 HydrophobicContact CG-CE1 4.38Å; R744-Y746 HydrophobicContact CG-CE2 4Å; R744-Y746 VanDerWaalsContact O-CD2 3.29Å; R744-Y746 WeakPolarHBondContact O-CD2 3.43Å; R744-Y746 VanDerWaalsContact O-CE2 3.29Å; R744-Y746 WeakPolarHBondContact O-CE2 3.4Å; R744-L810 WeakPolarHBondContact CG-O 3.33Å; R744-L810 PolarHBondContact NH1-O 3.17Å |
| 745 | V | 92.3 | Very high | 89 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 139.6 | 174.2 | -166.4 | 0 | 0 | 0 | 0 | 110 | I715 C734 F735 I736 L810 D811 I813 L914 | I715-V745 HydrophobicContact CD1-CG1 4.08Å; C734-V745 HydrophobicContact CB-CG1 4.25Å; F735-V745 WeakPolarHBondContact O-CA 3.31Å; I736-V745 HydrophobicContact CD1-CG2 4.4Å; I736-V745 HydrophobicContact CG1-CG1 4.4Å; I736-V745 HydrophobicContact CG1-CG2 4.19Å; V745-L810 HydrophobicContact CB-CB 4.37Å; V745-L810 HydrophobicContact CG1-CD1 4.17Å; V745-L810 WeakPolarHBondContact O-CA 3.3Å; V745-L810 WeakPolarHBondContact O-CB 3.45Å; V745-L810 PolarHBondContact O-N 2.96Å; V745-D811 PolarHBondContact N-O 3.12Å; V745-D811 VanDerWaalsContact N-O 3.15Å; V745-I813 HydrophobicContact CG2-CD1 4.4Å; V745-I813 HydrophobicContact CG2-CG1 4.45Å; V745-L914 HydrophobicContact CB-CD1 3.69Å; V745-L914 HydrophobicContact CB-CD2 4.34Å; V745-L914 HydrophobicContact CG1-CD1 3.75Å; V745-L914 HydrophobicContact CG1-CD2 4.21Å; V745-L914 HydrophobicContact CG1-CG 4.49Å; V745-L914 HydrophobicContact CG2-CD1 4.01Å; V745-L914 HydrophobicContact CG2-CD2 4Å; V745-L914 HydrophobicContact CG2-CG 4.44Å |
| 746 | Y | 93.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.9 | -179.8 | -63.3 | -87.7 | 0 | 0 | 0 | 109.6 | I701 C734 F735 A737 R744 V796 I807 I808 | I701-Y746 HydrophobicContact CD1-CD1 4.21Å; I701-Y746 HydrophobicContact CD1-CE1 4.27Å; C734-Y746 CarbonylContact C-O 3.54Å; C734-Y746 WeakPolarHBondContact CA-O 3.4Å; F735-Y746 HydrophobicContact CD2-CD2 4.06Å; F735-Y746 HydrophobicContact CD2-CG 4.4Å; F735-Y746 AromaticContact CE2-CD2 3.6Å; F735-Y746 HydrophobicContact CE2-CD2 3.6Å; F735-Y746 HydrophobicContact CE2-CE2 4.48Å; F735-Y746 AromaticContact CE2-CG 3.75Å; F735-Y746 HydrophobicContact CE2-CG 3.75Å; F735-Y746 VanDerWaalsContact CZ-CB 3.43Å; F735-Y746 HydrophobicContact CZ-CD2 4.19Å; F735-Y746 AromaticContact CZ-CG 3.83Å; F735-Y746 HydrophobicContact CZ-CG 3.83Å; F735-Y746 PolarHBondContact N-O 3.19Å; F735-Y746 PolarHBondContact O-N 3.04Å; A737-Y746 HydrophobicContact CB-CD2 4.19Å; A737-Y746 HydrophobicContact CB-CE2 3.88Å; R744-Y746 HydrophobicContact CB-CE2 3.81Å; R744-Y746 HydrophobicContact CG-CD2 4.47Å; R744-Y746 HydrophobicContact CG-CE1 4.38Å; R744-Y746 HydrophobicContact CG-CE2 4Å; R744-Y746 VanDerWaalsContact O-CD2 3.29Å; R744-Y746 WeakPolarHBondContact O-CD2 3.43Å; R744-Y746 VanDerWaalsContact O-CE2 3.29Å; R744-Y746 WeakPolarHBondContact O-CE2 3.4Å; Y746-V796 HydrophobicContact CD1-CG2 4.09Å; Y746-V796 HydrophobicContact CE1-CG2 4.11Å; Y746-I807 HydrophobicContact CD1-CG2 3.94Å; Y746-I807 HydrophobicContact CG-CG2 4.23Å; Y746-I808 CarbonylContact C-O 3.56Å; Y746-I808 WeakPolarHBondContact CA-O 3.29Å |
| 747 | Q | 92.2 | Very high | 87.5 | Confident | 5.33333 Ų | 5.33333 | 29.2 Ų | 29.2 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.9 | 173.1 | -178.3 | -177.5 | 14.5 | 0 | 0 | 109.8 | L719 S732 V749 I807 I808 L810 I912 | L719-Q747 HydrophobicContact CD1-CG 4.17Å; S732-Q747 PolarHBondContact OG-NE2 3.15Å; Q747-V749 HydrophobicContact CG-CG2 4.49Å; Q747-I807 CarbonylContact O-C 3.54Å; Q747-I807 VanDerWaalsContact O-CA 3.32Å; Q747-I807 WeakPolarHBondContact O-CA 3.39Å; Q747-I808 HydrophobicContact CB-CB 4.33Å; Q747-I808 PolarHBondContact N-O 3.04Å; Q747-I808 PolarHBondContact O-N 3.25Å; Q747-L810 HydrophobicContact CB-CD1 4.02Å; Q747-L810 HydrophobicContact CB-CG 4.35Å; Q747-I912 HydrophobicContact CG-CD1 4.44Å |
| 748 | A | 92.6 | Very high | 86.5 | Confident | 0.333333 Ų | 0.333333 | 32 Ų | 32 | 0% | 0.003 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L680 W714 S732 S733 F735 | L680-A748 HydrophobicContact CD1-CB 4.35Å; L680-A748 HydrophobicContact CD2-CB 3.81Å; W714-A748 HydrophobicContact CH2-CB 4.2Å; W714-A748 HydrophobicContact CZ3-CB 4.29Å; S732-A748 CarbonylContact C-O 3.54Å; S732-A748 WeakPolarHBondContact CA-O 3.37Å; S732-A748 VanDerWaalsContact CB-O 3.24Å; S732-A748 WeakPolarHBondContact CB-O 3.39Å; S733-A748 PolarHBondContact N-O 3.17Å; S733-A748 PolarHBondContact O-N 3.11Å; F735-A748 HydrophobicContact CD1-CB 4.34Å; F735-A748 HydrophobicContact CE1-CB 4.19Å |
| 749 | V | 90 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.9 | 174.4 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | L724 Q747 A752 G805 C806 I808 | L724-V749 HydrophobicContact CD1-CB 4.44Å; L724-V749 HydrophobicContact CD1-CG1 3.78Å; L724-V749 HydrophobicContact CD1-CG2 3.77Å; L724-V749 HydrophobicContact CD2-CG2 4.26Å; Q747-V749 HydrophobicContact CG-CG2 4.49Å; V749-A752 HydrophobicContact CB-CB 4.49Å; V749-A752 HydrophobicContact CG1-CB 4.39Å; V749-G805 CarbonylContact O-C 3.57Å; V749-G805 WeakPolarHBondContact O-CA 3.4Å; V749-C806 PolarHBondContact N-O 3.04Å; V749-C806 PolarHBondContact O-N 3.11Å; V749-I808 HydrophobicContact CG2-CD1 3.89Å; V749-I808 HydrophobicContact CG2-CG1 4.46Å |
| 750 | L | 88.2 | Confident | 84.9 | Confident | 34.3333 Ų | 34.3333 | 35.1 Ų | 35.1 | 18% | 0.18 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -75.8 | -45.7 | -170.7 | -67.5 | 155.4 | 0 | 0 | 0 | 113.9 | L630 L632 L698 S730 A731 G805 | L630-L750 HydrophobicContact CD1-CD1 4.33Å; L632-L750 HydrophobicContact CD1-CD1 4.03Å; L632-L750 HydrophobicContact CD1-CD2 3.58Å; L632-L750 HydrophobicContact CD1-CG 4.22Å; L632-L750 HydrophobicContact CD2-CD2 3.68Å; L632-L750 HydrophobicContact CD2-CG 4.16Å; L632-L750 HydrophobicContact CG-CD2 4.06Å; L632-L750 HydrophobicContact CG-CG 4.49Å; L698-L750 HydrophobicContact CD1-CD2 4.25Å; S730-L750 PolarHBondContact OG-N 2.76Å; A731-L750 HydrophobicContact CB-CD1 4.23Å; A731-L750 WeakPolarHBondContact O-CD1 3.26Å; A731-L750 WeakPolarHBondContact O-CG 3.44Å; A731-L750 PolarHBondContact O-N 3.07Å; L750-G805 WeakPolarHBondContact O-CA 3.26Å |
| 751 | D | 87.2 | Confident | 84.1 | Confident | 48.6667 Ų | 48.6667 | 39.3 Ų | 39.3 | 26% | 0.26 | 20% | 0.195 | S | C | . | . | trans | -122.5 | 100 | 175.9 | -172.6 | -8 | 0 | 0 | 0 | 108.6 | S730 R753 | S730-D751 VanDerWaalsContact CB-O 3.25Å; S730-D751 WeakPolarHBondContact CB-O 3.46Å; S730-D751 WeakPolarHBondContact OG-CB 3.48Å; S730-D751 PolarHBondContact OG-N 2.88Å; S730-D751 PolarHBondContact OG-O 3.27Å; D751-R753 WeakPolarHBondContact OD1-CB 3.45Å; D751-R753 VanDerWaalsContact OD1-CG 3.28Å; D751-R753 WeakPolarHBondContact OD1-CG 3.27Å; D751-R753 IonicContact OD1-CZ 3.53Å; D751-R753 PolarHBondContact OD1-N 3.06Å; D751-R753 IonicContact OD1-NE 3.83Å; D751-R753 PolarHBondContact OD1-NE 3.09Å; D751-R753 IonicContact OD1-NH2 3.33Å; D751-R753 IonicContact OD2-CZ 2.83Å; D751-R753 IonicContact OD2-NE 3.21Å; D751-R753 PolarHBondContact OD2-NE 3.2Å; D751-R753 IonicContact OD2-NH2 3.27Å; D751-R753 PolarHBondContact OD2-NH2 2.98Å | ||
| 752 | A | 86.6 | Confident | 83.3 | Confident | 0.333333 Ų | 0.333333 | 34.9 Ų | 34.9 | 0% | 0.003 | 18% | 0.178 | C | C | . | . | trans | -100.4 | 12.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V749 S754 L755 L756 P804 C806 | V749-A752 HydrophobicContact CB-CB 4.49Å; V749-A752 HydrophobicContact CG1-CB 4.39Å; A752-S754 PolarHBondContact O-N 3.15Å; A752-L755 PolarHBondContact O-N 3.17Å; A752-L756 HydrophobicContact CB-CD1 3.77Å; A752-L756 HydrophobicContact CB-CG 3.95Å; A752-L756 VanDerWaalsContact O-CB 3.27Å; A752-L756 WeakPolarHBondContact O-CB 3.29Å; A752-L756 WeakPolarHBondContact O-CD1 3.35Å; A752-L756 WeakPolarHBondContact O-CG 3.43Å; A752-L756 PolarHBondContact O-N 3.12Å; A752-P804 PolarHBondContact N-O 3.21Å; A752-C806 HydrophobicContact CB-CB 3.72Å; A752-C806 VanDerWaalsContact CB-SG 3.57Å; A752-C806 WeakPolarHBondContact CB-SG 3.43Å | ||
| 753 | R | 84.1 | Confident | 82.1 | Confident | 108.333 Ų | 108.333 | 39.4 Ų | 39.4 | 41% | 0.409 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -54.6 | -53.5 | -173.4 | -75 | 179 | -68.5 | 158.4 | 4.1 | 113.3 | D751 L755 L756 S757 A802 P804 | D751-R753 WeakPolarHBondContact OD1-CB 3.45Å; D751-R753 VanDerWaalsContact OD1-CG 3.28Å; D751-R753 WeakPolarHBondContact OD1-CG 3.27Å; D751-R753 IonicContact OD1-CZ 3.53Å; D751-R753 PolarHBondContact OD1-N 3.06Å; D751-R753 IonicContact OD1-NE 3.83Å; D751-R753 PolarHBondContact OD1-NE 3.09Å; D751-R753 IonicContact OD1-NH2 3.33Å; D751-R753 IonicContact OD2-CZ 2.83Å; D751-R753 IonicContact OD2-NE 3.21Å; D751-R753 PolarHBondContact OD2-NE 3.2Å; D751-R753 IonicContact OD2-NH2 3.27Å; D751-R753 PolarHBondContact OD2-NH2 2.98Å; R753-L755 VanDerWaalsContact C-N 3.34Å; R753-L755 PolarHBondContact O-N 3.43Å; R753-L756 PolarHBondContact O-N 3.02Å; R753-S757 WeakPolarHBondContact O-CB 3.32Å; R753-S757 PolarHBondContact O-N 3.18Å; R753-S757 PolarHBondContact O-OG 3.26Å; R753-S757 VanDerWaalsContact O-OG 3.13Å; R753-A802 WeakPolarHBondContact CD-O 3.32Å; R753-P804 HydrophobicContact CG-CG 4.15Å |
| 754 | S | 80.6 | Confident | 80.5 | Confident | 72 Ų | 72 | 44.3 Ų | 44.3 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 179.5 | -51.4 | 0 | 0 | 0 | 0 | 111.9 | A752 L756 S757 D758 | A752-S754 PolarHBondContact O-N 3.15Å; S754-L756 PolarHBondContact O-N 2.73Å; S754-S757 WeakPolarHBondContact CA-OG 3.35Å; S754-S757 PolarHBondContact O-N 3.03Å; S754-S757 PolarHBondContact O-OG 3.32Å; S754-D758 VanDerWaalsContact O-CB 3.3Å; S754-D758 WeakPolarHBondContact O-CB 3.43Å; S754-D758 VanDerWaalsContact O-CG 3.28Å; S754-D758 PolarHBondContact O-N 3Å |
| 755 | L | 81.3 | Confident | 78.9 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | -180 | -171.4 | 134.3 | 0 | 0 | 0 | 111.7 | A752 R753 M759 L793 I795 | A752-L755 PolarHBondContact O-N 3.17Å; R753-L755 VanDerWaalsContact C-N 3.34Å; R753-L755 PolarHBondContact O-N 3.43Å; L755-M759 VanDerWaalsContact O-CB 3.3Å; L755-M759 WeakPolarHBondContact O-CB 3.33Å; L755-M759 PolarHBondContact O-N 2.96Å; L755-M759 VanDerWaalsContact O-N 3.07Å; L755-L793 HydrophobicContact CD1-CD1 3.7Å; L755-L793 HydrophobicContact CD2-CD1 4.07Å; L755-L793 HydrophobicContact CG-CD1 4.14Å; L755-I795 HydrophobicContact CD2-CD1 3.62Å; L755-I795 HydrophobicContact CD2-CG1 4.4Å |
| 756 | L | 81.4 | Confident | 77 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.2 | -36.8 | 177.9 | -67.6 | 169.2 | 0 | 0 | 0 | 111.8 | A752 R753 S754 M759 N760 I795 Q799 P804 C806 | A752-L756 HydrophobicContact CB-CD1 3.77Å; A752-L756 HydrophobicContact CB-CG 3.95Å; A752-L756 VanDerWaalsContact O-CB 3.27Å; A752-L756 WeakPolarHBondContact O-CB 3.29Å; A752-L756 WeakPolarHBondContact O-CD1 3.35Å; A752-L756 WeakPolarHBondContact O-CG 3.43Å; A752-L756 PolarHBondContact O-N 3.12Å; R753-L756 PolarHBondContact O-N 3.02Å; S754-L756 PolarHBondContact O-N 2.73Å; L756-M759 HydrophobicContact CD2-CE 4.22Å; L756-M759 PolarHBondContact O-N 3.05Å; L756-N760 VanDerWaalsContact O-CB 3.26Å; L756-N760 WeakPolarHBondContact O-CB 3.39Å; L756-N760 VanDerWaalsContact O-CG 3.25Å; L756-N760 PolarHBondContact O-N 3.11Å; L756-N760 PolarHBondContact O-ND2 2.89Å; L756-I795 HydrophobicContact CD2-CD1 3.74Å; L756-I795 HydrophobicContact CD2-CG2 4.46Å; L756-Q799 HydrophobicContact CD1-CB 4.47Å; L756-Q799 HydrophobicContact CD1-CG 3.92Å; L756-Q799 HydrophobicContact CD2-CG 4.48Å; L756-P804 HydrophobicContact CD1-CB 3.97Å; L756-P804 HydrophobicContact CD1-CG 3.72Å; L756-C806 HydrophobicContact CD1-CB 4.39Å; L756-C806 HydrophobicContact CD2-CB 4.37Å |
| 757 | S | 76.4 | Confident | 74.7 | Confident | 55.3333 Ų | 55.3333 | 53.1 Ų | 53.1 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 174.7 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | R753 S754 M759 N760 Y761 | R753-S757 WeakPolarHBondContact O-CB 3.32Å; R753-S757 PolarHBondContact O-N 3.18Å; R753-S757 PolarHBondContact O-OG 3.26Å; R753-S757 VanDerWaalsContact O-OG 3.13Å; S754-S757 WeakPolarHBondContact CA-OG 3.35Å; S754-S757 PolarHBondContact O-N 3.03Å; S754-S757 PolarHBondContact O-OG 3.32Å; S757-M759 VanDerWaalsContact C-N 3.33Å; S757-M759 PolarHBondContact O-N 3.07Å; S757-N760 PolarHBondContact O-N 3.33Å; S757-Y761 WeakPolarHBondContact O-CB 3.32Å; S757-Y761 PolarHBondContact O-N 3.04Å |
| 758 | D | 74.7 | Confident | 72.4 | Confident | 58.6667 Ų | 58.6667 | 59.8 Ų | 59.8 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.8 | -73.8 | -7.3 | 0 | 0 | 0 | 111 | S754 Y761 V762 R786 | S754-D758 VanDerWaalsContact O-CB 3.3Å; S754-D758 WeakPolarHBondContact O-CB 3.43Å; S754-D758 VanDerWaalsContact O-CG 3.28Å; S754-D758 PolarHBondContact O-N 3Å; D758-Y761 WeakPolarHBondContact O-CB 3.45Å; D758-Y761 PolarHBondContact O-N 2.99Å; D758-V762 WeakPolarHBondContact O-CG2 3.36Å; D758-V762 PolarHBondContact O-N 3.2Å; D758-R786 IonicContact OD1-CZ 3.61Å; D758-R786 IonicContact OD1-NH1 3.98Å; D758-R786 PolarHBondContact OD1-NH1 3.44Å; D758-R786 IonicContact OD2-NH1 2.81Å |
| 759 | M | 73.6 | Confident | 69.9 | Low | 36.3333 Ų | 36.3333 | 64.2 Ų | 64.2 | 18% | 0.179 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 177.2 | -166.7 | 173.4 | 65.5 | 0 | 0 | 112.7 | L755 L756 S757 Y761 V762 K763 I795 | L755-M759 VanDerWaalsContact O-CB 3.3Å; L755-M759 WeakPolarHBondContact O-CB 3.33Å; L755-M759 PolarHBondContact O-N 2.96Å; L755-M759 VanDerWaalsContact O-N 3.07Å; L756-M759 HydrophobicContact CD2-CE 4.22Å; L756-M759 PolarHBondContact O-N 3.05Å; S757-M759 VanDerWaalsContact C-N 3.33Å; S757-M759 PolarHBondContact O-N 3.07Å; M759-Y761 VanDerWaalsContact C-N 3.32Å; M759-V762 PolarHBondContact O-N 2.93Å; M759-K763 WeakPolarHBondContact O-CB 3.49Å; M759-K763 VanDerWaalsContact O-CG 3.3Å; M759-K763 WeakPolarHBondContact O-CG 3.32Å; M759-K763 PolarHBondContact O-N 3.42Å; M759-I795 HydrophobicContact CE-CB 4.18Å; M759-I795 HydrophobicContact CE-CD1 3.48Å; M759-I795 HydrophobicContact CE-CG1 3.83Å; M759-I795 HydrophobicContact SD-CD1 4.05Å; M759-I795 HydrophobicContact SD-CG1 4.35Å |
| 760 | N | 70 | Confident | 67.4 | Low | 57.6667 Ų | 57.6667 | 76.4 Ų | 76.4 | 31% | 0.308 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 173.2 | -76.7 | -13.5 | 0 | 0 | 0 | 111.3 | L756 S757 K763 Q764 | L756-N760 VanDerWaalsContact O-CB 3.26Å; L756-N760 WeakPolarHBondContact O-CB 3.39Å; L756-N760 VanDerWaalsContact O-CG 3.25Å; L756-N760 PolarHBondContact O-N 3.11Å; L756-N760 PolarHBondContact O-ND2 2.89Å; S757-N760 PolarHBondContact O-N 3.33Å; N760-K763 PolarHBondContact O-N 3.07Å; N760-Q764 WeakPolarHBondContact O-CG 3.45Å; N760-Q764 PolarHBondContact O-N 3.03Å; N760-Q764 VanDerWaalsContact O-N 3.13Å |
| 761 | Y | 66.7 | Low | 64.9 | Low | 99 Ų | 99 | 79.9 Ų | 79.9 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 172.5 | -173.5 | -91.7 | 0 | 0 | 0 | 110.9 | S757 D758 M759 K763 Q764 F765 V782 | S757-Y761 WeakPolarHBondContact O-CB 3.32Å; S757-Y761 PolarHBondContact O-N 3.04Å; D758-Y761 WeakPolarHBondContact O-CB 3.45Å; D758-Y761 PolarHBondContact O-N 2.99Å; M759-Y761 VanDerWaalsContact C-N 3.32Å; Y761-K763 VanDerWaalsContact C-N 3.31Å; Y761-K763 PolarHBondContact O-N 3.15Å; Y761-Q764 WeakPolarHBondContact O-CB 3.32Å; Y761-Q764 PolarHBondContact O-N 3.08Å; Y761-F765 AromaticContact CD1-CD2 3.95Å; Y761-F765 HydrophobicContact CD1-CD2 4.11Å; Y761-F765 HydrophobicContact CD1-CE2 4.25Å; Y761-F765 AromaticContact CD2-CD2 3.86Å; Y761-F765 HydrophobicContact CD2-CD2 3.86Å; Y761-F765 AromaticContact CD2-CE2 3.76Å; Y761-F765 HydrophobicContact CD2-CE2 3.94Å; Y761-F765 AromaticContact CE1-CD2 3.81Å; Y761-F765 HydrophobicContact CE1-CD2 3.89Å; Y761-F765 AromaticContact CE1-CE2 3.68Å; Y761-F765 HydrophobicContact CE1-CE2 3.85Å; Y761-F765 AromaticContact CE2-CD2 3.68Å; Y761-F765 HydrophobicContact CE2-CD2 3.68Å; Y761-F765 AromaticContact CE2-CE2 3.53Å; Y761-F765 HydrophobicContact CE2-CE2 3.53Å; Y761-F765 HydrophobicContact CE2-CZ 4.16Å; Y761-F765 AromaticContact CG-CD2 3.99Å; Y761-F765 HydrophobicContact CG-CD2 4.23Å; Y761-F765 HydrophobicContact CG-CE2 4.29Å; Y761-F765 AromaticContact CZ-CD2 3.6Å; Y761-F765 AromaticContact CZ-CE2 3.47Å; Y761-F765 AromaticContact CZ-CZ 3.98Å; Y761-F765 VanDerWaalsContact O-CD2 3.24Å; Y761-F765 WeakPolarHBondContact O-CD2 3.32Å; Y761-F765 PolarHBondContact O-N 3.47Å; Y761-F765 VanDerWaalsContact O-N 3.08Å; Y761-V782 HydrophobicContact CE1-CG1 3.93Å |
| 762 | V | 66.6 | Low | 62.7 | Low | 46.6667 Ų | 46.6667 | 82.5 Ų | 82.5 | 28% | 0.283 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | D758 M759 Q764 F765 L766 V789 | D758-V762 WeakPolarHBondContact O-CG2 3.36Å; D758-V762 PolarHBondContact O-N 3.2Å; M759-V762 PolarHBondContact O-N 2.93Å; V762-Q764 VanDerWaalsContact C-N 3.3Å; V762-Q764 PolarHBondContact O-N 3.36Å; V762-F765 PolarHBondContact O-N 2.98Å; V762-F765 VanDerWaalsContact O-N 3.11Å; V762-L766 HydrophobicContact CG1-CD1 4.18Å; V762-L766 HydrophobicContact CG1-CG 4.4Å; V762-L766 WeakPolarHBondContact O-CG 3.1Å; V762-L766 PolarHBondContact O-N 3.27Å; V762-V789 HydrophobicContact CG2-CB 4.05Å; V762-V789 HydrophobicContact CG2-CG1 3.95Å; V762-V789 HydrophobicContact CG2-CG2 4.33Å |
| 763 | K | 63.8 | Low | 60.6 | Low | 107 Ų | 107 | 87.9 Ų | 87.9 | 47% | 0.465 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 177.1 | -76.4 | 179 | 179.8 | -176.9 | 0 | 113 | M395 F396 M759 N760 Y761 F765 L766 | M395-K763 VanDerWaalsContact CG-O 3.28Å; M395-K763 WeakPolarHBondContact CG-O 3.32Å; F396-K763 HydrophobicContact CZ-CD 4.26Å; M759-K763 WeakPolarHBondContact O-CB 3.49Å; M759-K763 VanDerWaalsContact O-CG 3.3Å; M759-K763 WeakPolarHBondContact O-CG 3.32Å; M759-K763 PolarHBondContact O-N 3.42Å; N760-K763 PolarHBondContact O-N 3.07Å; Y761-K763 VanDerWaalsContact C-N 3.31Å; Y761-K763 PolarHBondContact O-N 3.15Å; K763-F765 PolarHBondContact O-N 3.07Å; K763-L766 PolarHBondContact O-N 2.95Å |
| 764 | Q | 58.7 | Low | 58.8 | Low | 103.667 Ų | 103.667 | 88.7 Ų | 88.7 | 48% | 0.484 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -26.8 | 176.6 | -74.2 | 174.4 | -5.9 | 0 | 0 | 113.2 | C394 N760 Y761 V762 | C394-Q764 PolarHBondContact SG-NE2 3.12Å; N760-Q764 WeakPolarHBondContact O-CG 3.45Å; N760-Q764 PolarHBondContact O-N 3.03Å; N760-Q764 VanDerWaalsContact O-N 3.13Å; Y761-Q764 WeakPolarHBondContact O-CB 3.32Å; Y761-Q764 PolarHBondContact O-N 3.08Å; V762-Q764 VanDerWaalsContact C-N 3.3Å; V762-Q764 PolarHBondContact O-N 3.36Å |
| 765 | F | 56.2 | Low | 57.2 | Low | 72 Ų | 72 | 91 Ų | 91 | 32% | 0.316 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 0.8 | -178.3 | -68.6 | -77.4 | 0 | 0 | 0 | 114.3 | Y761 V762 K763 P767 F779 V782 R786 | Y761-F765 AromaticContact CD1-CD2 3.95Å; Y761-F765 HydrophobicContact CD1-CD2 4.11Å; Y761-F765 HydrophobicContact CD1-CE2 4.25Å; Y761-F765 AromaticContact CD2-CD2 3.86Å; Y761-F765 HydrophobicContact CD2-CD2 3.86Å; Y761-F765 AromaticContact CD2-CE2 3.76Å; Y761-F765 HydrophobicContact CD2-CE2 3.94Å; Y761-F765 AromaticContact CE1-CD2 3.81Å; Y761-F765 HydrophobicContact CE1-CD2 3.89Å; Y761-F765 AromaticContact CE1-CE2 3.68Å; Y761-F765 HydrophobicContact CE1-CE2 3.85Å; Y761-F765 AromaticContact CE2-CD2 3.68Å; Y761-F765 HydrophobicContact CE2-CD2 3.68Å; Y761-F765 AromaticContact CE2-CE2 3.53Å; Y761-F765 HydrophobicContact CE2-CE2 3.53Å; Y761-F765 HydrophobicContact CE2-CZ 4.16Å; Y761-F765 AromaticContact CG-CD2 3.99Å; Y761-F765 HydrophobicContact CG-CD2 4.23Å; Y761-F765 HydrophobicContact CG-CE2 4.29Å; Y761-F765 AromaticContact CZ-CD2 3.6Å; Y761-F765 AromaticContact CZ-CE2 3.47Å; Y761-F765 AromaticContact CZ-CZ 3.98Å; Y761-F765 VanDerWaalsContact O-CD2 3.24Å; Y761-F765 WeakPolarHBondContact O-CD2 3.32Å; Y761-F765 PolarHBondContact O-N 3.47Å; Y761-F765 VanDerWaalsContact O-N 3.08Å; V762-F765 PolarHBondContact O-N 2.98Å; V762-F765 VanDerWaalsContact O-N 3.11Å; K763-F765 PolarHBondContact O-N 3.07Å; F765-P767 VanDerWaalsContact O-CD 3.24Å; F765-P767 WeakPolarHBondContact O-CD 3.38Å; F765-F779 HydrophobicContact CB-CD2 4.04Å; F765-F779 HydrophobicContact CB-CE2 3.99Å; F765-F779 WeakPolarHBondContact O-CD2 3.45Å; F765-F779 WeakPolarHBondContact O-CE2 3.15Å; F765-V782 HydrophobicContact CB-CG1 4.42Å; F765-V782 HydrophobicContact CD1-CG2 4.49Å; F765-V782 HydrophobicContact CE1-CG2 4.32Å; F765-R786 PolarHBondContact O-NH2 3.15Å |
| 766 | L | 52.9 | Low | 55.7 | Low | 96 Ų | 96 | 98.5 Ų | 98.5 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -71.6 | 118.5 | 169.8 | -79.9 | 167.8 | 0 | 0 | 0 | 108.9 | M395 V762 K763 I768 F779 | M395-L766 WeakPolarHBondContact CE-O 3.12Å; M395-L766 VanDerWaalsContact SD-O 3.36Å; V762-L766 HydrophobicContact CG1-CD1 4.18Å; V762-L766 HydrophobicContact CG1-CG 4.4Å; V762-L766 WeakPolarHBondContact O-CG 3.1Å; V762-L766 PolarHBondContact O-N 3.27Å; K763-L766 PolarHBondContact O-N 2.95Å; L766-I768 PolarHBondContact O-N 3.25Å; L766-F779 HydrophobicContact CD2-CE2 4.42Å; L766-F779 HydrophobicContact CD2-CZ 4.04Å |
| 767 | P | 44 | Very low | 54.2 | Low | 93 Ų | 93 | 104.4 Ų | 104.4 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | trans | -72 | 116.5 | -175.4 | 16 | -12.6 | 0 | 0 | 0 | 110 | F765 S769 F779 R786 | F765-P767 VanDerWaalsContact O-CD 3.24Å; F765-P767 WeakPolarHBondContact O-CD 3.38Å; P767-S769 VanDerWaalsContact C-N 3.33Å; P767-S769 PolarHBondContact O-N 3.22Å; P767-S769 VanDerWaalsContact O-N 3.11Å; P767-F779 HydrophobicContact CG-CE2 4.3Å; P767-R786 VanDerWaalsContact CD-NH2 3.34Å | ||
| 768 | I | 44.9 | Very low | 53 | Low | 146 Ų | 146 | 105.8 Ų | 105.8 | 75% | 0.749 | 57% | 0.565 | S | S | * | * | trans | -71.2 | 63.8 | 162.1 | -67.3 | 171.3 | 0 | 0 | 0 | 107.7 | M395 L766 R770 | M395-I768 HydrophobicContact CE-CB 3.96Å; M395-I768 HydrophobicContact CE-CD1 3.78Å; M395-I768 HydrophobicContact CE-CG1 3.71Å; M395-I768 HydrophobicContact SD-CD1 3.51Å; M395-I768 VanDerWaalsContact SD-CD1 3.51Å; M395-I768 HydrophobicContact SD-CG1 3.88Å; L766-I768 PolarHBondContact O-N 3.25Å; I768-R770 PolarHBondContact O-N 2.93Å | ||
| 769 | S | 39.5 | Very low | 51.5 | Low | 93.3333 Ų | 93.3333 | 107.4 Ų | 107.4 | 65% | 0.653 | 57% | 0.569 | S | S | * | * | trans | -49.6 | 113.2 | 170.2 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | P767 S771 | P767-S769 VanDerWaalsContact C-N 3.33Å; P767-S769 PolarHBondContact O-N 3.22Å; P767-S769 VanDerWaalsContact O-N 3.11Å; S769-S771 PolarHBondContact O-N 2.92Å | ||
| 770 | R | 36.9 | Very low | 50.3 | Low | 256.333 Ų | 256.333 | 111.2 Ų | 111.2 | 97% | 0.967 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -90.1 | 67.5 | 160.6 | -74.9 | 174.3 | -179.5 | 167.7 | 0.4 | 111.9 | I768 | I768-R770 PolarHBondContact O-N 2.93Š|
| 771 | S | 37 | Very low | 49.3 | Very low | 108.333 Ų | 108.333 | 111.7 Ų | 111.7 | 76% | 0.758 | 59% | 0.594 | S | S | * | * | trans | -158.2 | 109.2 | 165.9 | 54 | 0 | 0 | 0 | 0 | 112.1 | S769 | S769-S771 PolarHBondContact O-N 2.92Š| ||
| 772 | S | 40 | Very low | 48.4 | Very low | 101.667 Ų | 101.667 | 108.1 Ų | 108.1 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | trans | -99.3 | 115.8 | 172.3 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | T774 D775 | S772-T774 PolarHBondContact O-N 2.8Å; S772-D775 PolarHBondContact OG-OD2 3.34Å | ||
| 773 | S | 43 | Very low | 47.4 | Very low | 114.333 Ų | 114.333 | 113.1 Ų | 113.1 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | trans | -105.4 | 99.7 | 153.2 | 53 | 0 | 0 | 0 | 0 | 111.5 | D775 | S773-D775 PolarHBondContact O-N 3.49Š| ||
| 774 | T | 46.7 | Very low | 46.5 | Very low | 125.667 Ų | 125.667 | 113.2 Ų | 113.2 | 77% | 0.771 | 60% | 0.602 | S | S | * | * | trans | -109.5 | 19.5 | 170.5 | 40 | 0 | 0 | 0 | 0 | 116.1 | S772 | S772-T774 PolarHBondContact O-N 2.8Š| ||
| 775 | D | 46.1 | Very low | 45.9 | Very low | 120.333 Ų | 120.333 | 117.3 Ų | 117.3 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | trans | -117.4 | 66 | 171.8 | -80.3 | -36.2 | 0 | 0 | 0 | 111.6 | S772 S773 D777 V778 F779 | S772-D775 PolarHBondContact OG-OD2 3.34Å; S773-D775 PolarHBondContact O-N 3.49Å; D775-D777 PolarHBondContact O-N 3.12Å; D775-V778 PolarHBondContact O-N 2.89Å; D775-F779 PolarHBondContact O-N 2.87Å | ||
| 776 | F | 49.8 | Very low | 45.3 | Very low | 165.333 Ų | 165.333 | 118.8 Ų | 118.8 | 73% | 0.725 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.6 | -33.8 | -173.1 | -151.8 | -96 | 0 | 0 | 0 | 112.8 | V778 F779 E780 | F776-V778 VanDerWaalsContact C-N 3.32Å; F776-V778 PolarHBondContact O-N 3.32Å; F776-F779 WeakPolarHBondContact O-CB 3.23Å; F776-F779 PolarHBondContact O-N 3.12Å; F776-E780 PolarHBondContact O-N 3Å |
| 777 | D | 49.7 | Very low | 44.9 | Very low | 136.667 Ų | 136.667 | 121.4 Ų | 121.4 | 73% | 0.731 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.6 | -31.6 | -174.4 | -69.6 | -16.8 | 0 | 0 | 0 | 113.6 | D775 F779 S781 | D775-D777 PolarHBondContact O-N 3.12Å; D777-F779 VanDerWaalsContact C-N 3.32Å; D777-F779 PolarHBondContact O-N 2.93Å; D777-S781 WeakPolarHBondContact O-CB 3.32Å; D777-S781 PolarHBondContact O-N 3.39Å |
| 778 | V | 51.5 | Low | 45 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.6 | -34.9 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | D775 F776 E780 S781 V782 | D775-V778 PolarHBondContact O-N 2.89Å; F776-V778 VanDerWaalsContact C-N 3.32Å; F776-V778 PolarHBondContact O-N 3.32Å; V778-E780 PolarHBondContact O-N 3.18Å; V778-S781 PolarHBondContact O-N 3.34Å; V778-S781 PolarHBondContact O-OG 3.14Å; V778-V782 HydrophobicContact CG1-CG2 4.3Å; V778-V782 VanDerWaalsContact O-CG2 3.28Å; V778-V782 WeakPolarHBondContact O-CG2 3.38Å; V778-V782 PolarHBondContact O-N 3.07Å |
| 779 | F | 43.5 | Very low | 45.1 | Very low | 91.3333 Ų | 91.3333 | 116.2 Ų | 116.2 | 40% | 0.401 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.4 | -36.2 | -176.2 | -152.5 | -94.2 | 0 | 0 | 0 | 112.7 | F765 L766 P767 D775 F776 D777 V782 R783 | F765-F779 HydrophobicContact CB-CD2 4.04Å; F765-F779 HydrophobicContact CB-CE2 3.99Å; F765-F779 WeakPolarHBondContact O-CD2 3.45Å; F765-F779 WeakPolarHBondContact O-CE2 3.15Å; L766-F779 HydrophobicContact CD2-CE2 4.42Å; L766-F779 HydrophobicContact CD2-CZ 4.04Å; P767-F779 HydrophobicContact CG-CE2 4.3Å; D775-F779 PolarHBondContact O-N 2.87Å; F776-F779 WeakPolarHBondContact O-CB 3.23Å; F776-F779 PolarHBondContact O-N 3.12Å; D777-F779 VanDerWaalsContact C-N 3.32Å; D777-F779 PolarHBondContact O-N 2.93Å; F779-V782 PolarHBondContact O-N 3.13Å; F779-R783 WeakPolarHBondContact O-CB 3.3Å; F779-R783 PolarHBondContact O-N 3.21Å |
| 780 | E | 47.7 | Very low | 45.4 | Very low | 116.333 Ų | 116.333 | 117 Ų | 117 | 54% | 0.544 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.8 | -37.5 | -179 | -156.8 | 164.6 | -142.4 | 0 | 0 | 112.3 | F776 V778 V782 R783 N784 | F776-E780 PolarHBondContact O-N 3Å; V778-E780 PolarHBondContact O-N 3.18Å; E780-V782 VanDerWaalsContact C-N 3.3Å; E780-V782 PolarHBondContact O-N 2.95Å; E780-R783 PolarHBondContact O-N 3.07Å; E780-R783 VanDerWaalsContact O-N 3.17Å; E780-N784 WeakPolarHBondContact O-CB 3.43Å; E780-N784 PolarHBondContact O-N 3.22Å; E780-N784 VanDerWaalsContact O-N 3.08Å; E780-N784 PolarHBondContact O-ND2 3.08Å; E780-N784 VanDerWaalsContact O-ND2 3.16Å |
| 781 | S | 49.8 | Very low | 46.2 | Very low | 68.6667 Ų | 68.6667 | 107.6 Ų | 107.6 | 48% | 0.48 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.2 | -36.2 | 172.3 | 76.4 | 0 | 0 | 0 | 0 | 112.7 | D777 V778 R785 | D777-S781 WeakPolarHBondContact O-CB 3.32Å; D777-S781 PolarHBondContact O-N 3.39Å; V778-S781 PolarHBondContact O-N 3.34Å; V778-S781 PolarHBondContact O-OG 3.14Å; S781-R785 WeakPolarHBondContact O-CG 3.1Å; S781-R785 PolarHBondContact O-N 3.08Å |
| 782 | V | 48.9 | Very low | 47.3 | Very low | 22.6667 Ų | 22.6667 | 108.8 Ų | 108.8 | 14% | 0.137 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -70.8 | -39.2 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | Y761 F765 V778 F779 E780 N784 R785 R786 | Y761-V782 HydrophobicContact CE1-CG1 3.93Å; F765-V782 HydrophobicContact CB-CG1 4.42Å; F765-V782 HydrophobicContact CD1-CG2 4.49Å; F765-V782 HydrophobicContact CE1-CG2 4.32Å; V778-V782 HydrophobicContact CG1-CG2 4.3Å; V778-V782 VanDerWaalsContact O-CG2 3.28Å; V778-V782 WeakPolarHBondContact O-CG2 3.38Å; V778-V782 PolarHBondContact O-N 3.07Å; F779-V782 PolarHBondContact O-N 3.13Å; E780-V782 VanDerWaalsContact C-N 3.3Å; E780-V782 PolarHBondContact O-N 2.95Å; V782-N784 VanDerWaalsContact C-N 3.32Å; V782-N784 PolarHBondContact O-N 3.08Å; V782-R785 PolarHBondContact O-N 3.12Å; V782-R785 VanDerWaalsContact O-N 3.16Å; V782-R786 HydrophobicContact CG1-CG 4.23Å; V782-R786 WeakPolarHBondContact O-CB 3.44Å; V782-R786 VanDerWaalsContact O-CG 3.26Å; V782-R786 WeakPolarHBondContact O-CG 3.4Å; V782-R786 PolarHBondContact O-N 3.18Å |
| 783 | R | 43.8 | Very low | 49 | Very low | 153 Ų | 153 | 105.6 Ų | 105.6 | 58% | 0.577 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 177.3 | -151.6 | 178 | -165.6 | 179.7 | 3.8 | 112.2 | F779 E780 R785 R786 Q787 D790 | F779-R783 WeakPolarHBondContact O-CB 3.3Å; F779-R783 PolarHBondContact O-N 3.21Å; E780-R783 PolarHBondContact O-N 3.07Å; E780-R783 VanDerWaalsContact O-N 3.17Å; R783-R785 VanDerWaalsContact C-N 3.28Å; R783-R785 PolarHBondContact O-N 3.05Å; R783-R786 CarbonylContact O-C 3.39Å; R783-R786 WeakPolarHBondContact O-CB 3.37Å; R783-R786 PolarHBondContact O-N 3.36Å; R783-Q787 PolarHBondContact O-N 3.22Å; R783-D790 IonicContact CZ-OD1 3.36Å; R783-D790 IonicContact NE-OD1 2.72Å; R783-D790 PolarHBondContact NE-OD1 3.13Å; R783-D790 IonicContact NH2-OD1 2.97Å; R783-D790 PolarHBondContact NH2-OD1 3.31Å; R783-D790 IonicContact NH2-OD2 3.45Å |
| 784 | N | 46.5 | Very low | 50.9 | Low | 109.333 Ų | 109.333 | 104.5 Ų | 104.5 | 59% | 0.585 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.4 | -30.8 | 176.7 | -78.4 | -20.2 | 0 | 0 | 0 | 113 | E780 V782 R786 | E780-N784 WeakPolarHBondContact O-CB 3.43Å; E780-N784 PolarHBondContact O-N 3.22Å; E780-N784 VanDerWaalsContact O-N 3.08Å; E780-N784 PolarHBondContact O-ND2 3.08Å; E780-N784 VanDerWaalsContact O-ND2 3.16Å; V782-N784 VanDerWaalsContact C-N 3.32Å; V782-N784 PolarHBondContact O-N 3.08Å; N784-R786 VanDerWaalsContact C-N 3.35Å |
| 785 | R | 45.6 | Very low | 52.8 | Low | 188.667 Ų | 188.667 | 100 Ų | 100 | 71% | 0.712 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -78.9 | -26.4 | 171.7 | -87.6 | -167.6 | -148.8 | -148.6 | 3.4 | 114 | S781 V782 R783 Q787 S788 V789 | S781-R785 WeakPolarHBondContact O-CG 3.1Å; S781-R785 PolarHBondContact O-N 3.08Å; V782-R785 PolarHBondContact O-N 3.12Å; V782-R785 VanDerWaalsContact O-N 3.16Å; R783-R785 VanDerWaalsContact C-N 3.28Å; R783-R785 PolarHBondContact O-N 3.05Å; R785-Q787 VanDerWaalsContact C-N 3.27Å; R785-Q787 PolarHBondContact O-N 3.16Å; R785-S788 WeakPolarHBondContact O-CA 3.48Å; R785-S788 WeakPolarHBondContact O-CB 3.25Å; R785-S788 PolarHBondContact O-N 3.2Å; R785-S788 PolarHBondContact O-OG 3.43Å; R785-V789 PolarHBondContact O-N 3.23Å |
| 786 | R | 44.2 | Very low | 54.8 | Low | 104 Ų | 104 | 96.7 Ų | 96.7 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -82.5 | -9.5 | 173.9 | -78.8 | -177.6 | -178.6 | 179.2 | 4.1 | 111.5 | D758 F765 P767 V782 R783 N784 S788 V789 | D758-R786 IonicContact OD1-CZ 3.61Å; D758-R786 IonicContact OD1-NH1 3.98Å; D758-R786 PolarHBondContact OD1-NH1 3.44Å; D758-R786 IonicContact OD2-NH1 2.81Å; F765-R786 PolarHBondContact O-NH2 3.15Å; P767-R786 VanDerWaalsContact CD-NH2 3.34Å; V782-R786 HydrophobicContact CG1-CG 4.23Å; V782-R786 WeakPolarHBondContact O-CB 3.44Å; V782-R786 VanDerWaalsContact O-CG 3.26Å; V782-R786 WeakPolarHBondContact O-CG 3.4Å; V782-R786 PolarHBondContact O-N 3.18Å; R783-R786 CarbonylContact O-C 3.39Å; R783-R786 WeakPolarHBondContact O-CB 3.37Å; R783-R786 PolarHBondContact O-N 3.36Å; N784-R786 VanDerWaalsContact C-N 3.35Å; R786-S788 PolarHBondContact O-N 3.19Å; R786-S788 VanDerWaalsContact O-N 3.14Å; R786-V789 PolarHBondContact O-N 3.05Å |
| 787 | Q | 43 | Very low | 56.7 | Low | 149.667 Ų | 149.667 | 89.4 Ų | 89.4 | 70% | 0.699 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -7.6 | 174.5 | -68.8 | -179.1 | -13.8 | 0 | 0 | 114.1 | R783 R785 | R783-Q787 PolarHBondContact O-N 3.22Å; R785-Q787 VanDerWaalsContact C-N 3.27Å; R785-Q787 PolarHBondContact O-N 3.16Å |
| 788 | S | 46 | Very low | 58.3 | Low | 78.3333 Ų | 78.3333 | 85.6 Ų | 85.6 | 55% | 0.548 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -11.2 | -177 | 68 | 0 | 0 | 0 | 0 | 114.8 | R785 R786 | R785-S788 WeakPolarHBondContact O-CA 3.48Å; R785-S788 WeakPolarHBondContact O-CB 3.25Å; R785-S788 PolarHBondContact O-N 3.2Å; R785-S788 PolarHBondContact O-OG 3.43Å; R786-S788 PolarHBondContact O-N 3.19Å; R786-S788 VanDerWaalsContact O-N 3.14Å |
| 789 | V | 46.9 | Very low | 59.5 | Low | 52.3333 Ų | 52.3333 | 83.8 Ų | 83.8 | 32% | 0.317 | 43% | 0.425 | S | S | . | . | trans | -125.9 | 50.2 | -172.8 | -159.5 | 0 | 0 | 0 | 0 | 111.9 | V762 R785 R786 V791 | V762-V789 HydrophobicContact CG2-CB 4.05Å; V762-V789 HydrophobicContact CG2-CG1 3.95Å; V762-V789 HydrophobicContact CG2-CG2 4.33Å; R785-V789 PolarHBondContact O-N 3.23Å; R786-V789 PolarHBondContact O-N 3.05Å; V789-V791 VanDerWaalsContact C-N 3.25Å; V789-V791 PolarHBondContact O-N 3.38Å; V789-V791 VanDerWaalsContact O-N 3.08Å | ||
| 790 | D | 46.4 | Very low | 60.6 | Low | 109.667 Ų | 109.667 | 79.7 Ų | 79.7 | 59% | 0.586 | 41% | 0.408 | S | S | * | . | trans | -80.3 | 4.6 | 173.6 | -93.4 | -18 | 0 | 0 | 0 | 113.8 | R783 V792 | R783-D790 IonicContact CZ-OD1 3.36Å; R783-D790 IonicContact NE-OD1 2.72Å; R783-D790 PolarHBondContact NE-OD1 3.13Å; R783-D790 IonicContact NH2-OD1 2.97Å; R783-D790 PolarHBondContact NH2-OD1 3.31Å; R783-D790 IonicContact NH2-OD2 3.45Å; D790-V792 VanDerWaalsContact C-N 3.3Å; D790-V792 PolarHBondContact O-N 3.16Å | ||
| 791 | V | 53.3 | Low | 61.8 | Low | 59.6667 Ų | 59.6667 | 75.7 Ų | 75.7 | 36% | 0.362 | 39% | 0.391 | S | S | . | . | trans | -97.9 | 92.9 | 179.8 | -166.4 | 0 | 0 | 0 | 0 | 110.1 | V789 L793 R910 | V789-V791 VanDerWaalsContact C-N 3.25Å; V789-V791 PolarHBondContact O-N 3.38Å; V789-V791 VanDerWaalsContact O-N 3.08Å; V791-L793 HydrophobicContact CG1-CD2 3.54Å; V791-L793 HydrophobicContact CG1-CG 3.82Å; V791-L793 PolarHBondContact O-N 3.04Å; V791-L793 VanDerWaalsContact O-N 3.12Å; V791-R910 WeakPolarHBondContact CG1-O 3.28Å; V791-R910 HydrophobicContact CG2-CB 4.12Å | ||
| 792 | V | 61.9 | Low | 62.8 | Low | 132.667 Ų | 132.667 | 75.9 Ų | 75.9 | 80% | 0.804 | 40% | 0.398 | S | S | * | . | trans | -73 | 90.9 | 165.9 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | D790 N794 | D790-V792 VanDerWaalsContact C-N 3.3Å; D790-V792 PolarHBondContact O-N 3.16Å; V792-N794 PolarHBondContact O-N 3.49Å | ||
| 793 | L | 74.1 | Confident | 64.3 | Low | 35.3333 Ų | 35.3333 | 83.1 Ų | 83.1 | 19% | 0.185 | 42% | 0.422 | C | S | . | . | trans | -71.8 | 132 | 174.1 | -66.4 | 172.4 | 0 | 0 | 0 | 109.8 | L755 V791 I795 I808 | L755-L793 HydrophobicContact CD1-CD1 3.7Å; L755-L793 HydrophobicContact CD2-CD1 4.07Å; L755-L793 HydrophobicContact CG-CD1 4.14Å; V791-L793 HydrophobicContact CG1-CD2 3.54Å; V791-L793 HydrophobicContact CG1-CG 3.82Å; V791-L793 PolarHBondContact O-N 3.04Å; V791-L793 VanDerWaalsContact O-N 3.12Å; L793-I795 VanDerWaalsContact C-N 3.27Å; L793-I795 HydrophobicContact CB-CG1 4.26Å; L793-I795 PolarHBondContact O-N 3.13Å; L793-I808 HydrophobicContact CD1-CD1 4.08Å; L793-I808 HydrophobicContact CD2-CD1 4.37Å | ||
| 794 | N | 84.4 | Confident | 66.2 | Low | 90.6667 Ų | 90.6667 | 76.1 Ų | 76.1 | 49% | 0.485 | 40% | 0.396 | S | S | . | . | trans | -76.5 | 73.5 | 176.5 | -176.4 | 26.4 | 0 | 0 | 0 | 111 | V792 V796 I808 G809 | V792-N794 PolarHBondContact O-N 3.49Å; N794-V796 PolarHBondContact O-N 3.19Å; N794-V796 VanDerWaalsContact O-N 3.16Å; N794-I808 CarbonylContact O-C 3.52Å; N794-I808 WeakPolarHBondContact O-CA 3.31Å; N794-G809 PolarHBondContact ND2-O 2.99Å; N794-G809 PolarHBondContact O-N 3.28Å | ||
| 795 | I | 85.5 | Confident | 68.2 | Low | 32.3333 Ų | 32.3333 | 70.9 Ų | 70.9 | 17% | 0.166 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 109 | 176.3 | -56.6 | -172.4 | 0 | 0 | 0 | 109 | L755 L756 M759 L793 C806 I807 I808 | L755-I795 HydrophobicContact CD2-CD1 3.62Å; L755-I795 HydrophobicContact CD2-CG1 4.4Å; L756-I795 HydrophobicContact CD2-CD1 3.74Å; L756-I795 HydrophobicContact CD2-CG2 4.46Å; M759-I795 HydrophobicContact CE-CB 4.18Å; M759-I795 HydrophobicContact CE-CD1 3.48Å; M759-I795 HydrophobicContact CE-CG1 3.83Å; M759-I795 HydrophobicContact SD-CD1 4.05Å; M759-I795 HydrophobicContact SD-CG1 4.35Å; L793-I795 VanDerWaalsContact C-N 3.27Å; L793-I795 HydrophobicContact CB-CG1 4.26Å; L793-I795 PolarHBondContact O-N 3.13Å; I795-C806 HydrophobicContact CD1-CB 4.25Å; I795-C806 HydrophobicContact CG2-CB 4.03Å; I795-I807 WeakPolarHBondContact CA-O 3.28Å; I795-I808 HydrophobicContact CG1-CG1 4.4Å |
| 796 | V | 88.2 | Confident | 70.4 | Confident | 50.6667 Ų | 50.6667 | 61.9 Ų | 61.9 | 31% | 0.307 | 34% | 0.335 | S | S | . | . | trans | -93.2 | -11 | -177.7 | -65.8 | 0 | 0 | 0 | 0 | 113 | I701 Y746 N794 I807 | I701-V796 HydrophobicContact CD1-CG2 3.68Å; I701-V796 HydrophobicContact CG1-CG2 4.15Å; I701-V796 HydrophobicContact CG2-CB 4.44Å; I701-V796 HydrophobicContact CG2-CG2 4.42Å; Y746-V796 HydrophobicContact CD1-CG2 4.09Å; Y746-V796 HydrophobicContact CE1-CG2 4.11Å; N794-V796 PolarHBondContact O-N 3.19Å; N794-V796 VanDerWaalsContact O-N 3.16Å; V796-I807 HydrophobicContact CG2-CB 4.4Å; V796-I807 HydrophobicContact CG2-CG2 4.16Å; V796-I807 WeakPolarHBondContact CG2-O 3.31Å; V796-I807 PolarHBondContact N-O 3.07Å | ||
| 797 | S | 89.9 | Confident | 72.7 | Confident | 11.6667 Ų | 11.6667 | 56.9 Ų | 56.9 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | trans | -92.3 | 147.5 | -177.9 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | R700 Q799 C806 I807 | R700-S797 CarbonylContact O-C 3.51Å; R700-S797 VanDerWaalsContact O-CA 3.28Å; R700-S797 WeakPolarHBondContact O-CA 3.43Å; R700-S797 WeakPolarHBondContact O-CB 3.42Å; S797-Q799 PolarHBondContact O-NE2 3.09Å; S797-Q799 PolarHBondContact O-OE1 3.24Å; S797-Q799 PolarHBondContact OG-NE2 3.35Å; S797-C806 VanDerWaalsContact OG-CA 3.31Å; S797-C806 WeakPolarHBondContact OG-CA 3.49Å; S797-I807 PolarHBondContact OG-N 3.2Å | ||
| 798 | T | 82.8 | Confident | 75 | Confident | 56.3333 Ų | 56.3333 | 50 Ų | 50 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -86.8 | 145.5 | 163.4 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | N586 R700 | N586-T798 WeakPolarHBondContact CB-OG1 3.31Å; R700-T798 PolarHBondContact N-O 3Å; R700-T798 VanDerWaalsContact N-O 3.13Å; R700-T798 PolarHBondContact O-N 3.08Å; R700-T798 PolarHBondContact O-OG1 2.96Å; R700-T798 VanDerWaalsContact O-OG1 3.09Å |
| 799 | Q | 77.2 | Confident | 77 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | trans | -110.7 | 139.8 | -178.5 | -48.6 | 134.3 | 12.9 | 0 | 0 | 111.3 | N534 L756 S797 P804 G805 C806 | N534-Q799 PolarHBondContact ND2-OE1 3.36Å; N534-Q799 PolarHBondContact OD1-OE1 2.76Å; L756-Q799 HydrophobicContact CD1-CB 4.47Å; L756-Q799 HydrophobicContact CD1-CG 3.92Å; L756-Q799 HydrophobicContact CD2-CG 4.48Å; S797-Q799 PolarHBondContact O-NE2 3.09Å; S797-Q799 PolarHBondContact O-OE1 3.24Å; S797-Q799 PolarHBondContact OG-NE2 3.35Å; Q799-P804 HydrophobicContact CB-CB 3.94Å; Q799-P804 HydrophobicContact CG-CB 4.05Å; Q799-G805 WeakPolarHBondContact CG-O 3.41Å; Q799-G805 PolarHBondContact NE2-O 3.46Å; Q799-G805 PolarHBondContact OE1-O 3.13Å; Q799-C806 VanDerWaalsContact NE2-CA 3.34Å | ||
| 800 | S | 66.7 | Low | 78.9 | Confident | 4.33333 Ų | 4.33333 | 45.2 Ų | 45.2 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | trans | -135.6 | 14.4 | -175.5 | 30.1 | 0 | 0 | 0 | 0 | 113.6 | S538 N586 T588 R613 E697 | S538-S800 VanDerWaalsContact OG-CB 3.23Å; S538-S800 WeakPolarHBondContact OG-CB 3.34Å; N586-S800 PolarHBondContact ND2-OG 3.41Å; N586-S800 PolarHBondContact OD1-OG 2.97Å; T588-S800 PolarHBondContact OG1-OG 2.68Å; R613-S800 VanDerWaalsContact CZ-O 3.27Å; R613-S800 PolarHBondContact NH1-O 3.39Å; R613-S800 PolarHBondContact NH2-O 2.9Å; R613-S800 PolarHBondContact NH2-OG 2.75Å; E697-S800 PolarHBondContact OE1-OG 2.99Å | ||
| 801 | T | 73.5 | Confident | 80.8 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -141 | 172.6 | -176.1 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | N534 E697 R803 P804 | N534-T801 PolarHBondContact ND2-O 3.09Å; E697-T801 WeakPolarHBondContact O-CG2 3.35Å; T801-R803 VanDerWaalsContact C-N 3.32Å; T801-R803 PolarHBondContact O-N 3Å; T801-R803 PolarHBondContact OG1-N 3.26Å; T801-R803 PolarHBondContact OG1-O 3.06Å; T801-P804 WeakPolarHBondContact O-CD 3.39Å; T801-P804 WeakPolarHBondContact OG1-CA 3.43Å |
| 802 | A | 70.6 | Confident | 82.4 | Confident | 74.25 Ų | 74.25 | 43.1 Ų | 43.1 | 61% | 0.614 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -69.2 | -21 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | P532 R753 P804 | P532-A802 HydrophobicContact CB-CB 4.08Å; P532-A802 HydrophobicContact CG-CB 3.96Å; R753-A802 WeakPolarHBondContact CD-O 3.32Å; A802-P804 VanDerWaalsContact C-CD 3.45Å; A802-P804 VanDerWaalsContact O-CD 3.3Å; A802-P804 WeakPolarHBondContact O-CD 3.39Å |
| 803 | R | 79.6 | Confident | 83.5 | Confident | 173.25 Ų | 173.25 | 37 Ų | 37 | 65% | 0.654 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -125 | 72.6 | 171.4 | -69.4 | -173.6 | 163 | -175.6 | 0.8 | 108.7 | T801 | T801-R803 VanDerWaalsContact C-N 3.32Å; T801-R803 PolarHBondContact O-N 3Å; T801-R803 PolarHBondContact OG1-N 3.26Å; T801-R803 PolarHBondContact OG1-O 3.06Å |
| 804 | P | 83.4 | Confident | 83.7 | Confident | 5.25 Ų | 5.25 | 38.4 Ų | 38.4 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | trans | -71.1 | 139.1 | -174.8 | 31.3 | -37.7 | 0 | 0 | 0 | 111 | N534 A752 R753 L756 Q799 T801 A802 | N534-P804 WeakPolarHBondContact ND2-CG 3.4Å; A752-P804 PolarHBondContact N-O 3.21Å; R753-P804 HydrophobicContact CG-CG 4.15Å; L756-P804 HydrophobicContact CD1-CB 3.97Å; L756-P804 HydrophobicContact CD1-CG 3.72Å; Q799-P804 HydrophobicContact CB-CB 3.94Å; Q799-P804 HydrophobicContact CG-CB 4.05Å; T801-P804 WeakPolarHBondContact O-CD 3.39Å; T801-P804 WeakPolarHBondContact OG1-CA 3.43Å; A802-P804 VanDerWaalsContact C-CD 3.45Å; A802-P804 VanDerWaalsContact O-CD 3.3Å; A802-P804 WeakPolarHBondContact O-CD 3.39Å | ||
| 805 | G | 89.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -82.9 | 175.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L698 S699 V749 L750 Q799 | L698-G805 PolarHBondContact O-N 3.15Å; L698-G805 VanDerWaalsContact O-N 3.12Å; S699-G805 WeakPolarHBondContact CB-O 3.48Å; V749-G805 CarbonylContact O-C 3.57Å; V749-G805 WeakPolarHBondContact O-CA 3.4Å; L750-G805 WeakPolarHBondContact O-CA 3.26Å; Q799-G805 WeakPolarHBondContact CG-O 3.41Å; Q799-G805 PolarHBondContact NE2-O 3.46Å; Q799-G805 PolarHBondContact OE1-O 3.13Å | ||
| 806 | C | 90.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.6 | 165.4 | 74.4 | 0 | 0 | 0 | 0 | 110.8 | V749 A752 L756 I795 S797 Q799 | V749-C806 PolarHBondContact N-O 3.04Å; V749-C806 PolarHBondContact O-N 3.11Å; A752-C806 HydrophobicContact CB-CB 3.72Å; A752-C806 VanDerWaalsContact CB-SG 3.57Å; A752-C806 WeakPolarHBondContact CB-SG 3.43Å; L756-C806 HydrophobicContact CD1-CB 4.39Å; L756-C806 HydrophobicContact CD2-CB 4.37Å; I795-C806 HydrophobicContact CD1-CB 4.25Å; I795-C806 HydrophobicContact CG2-CB 4.03Å; S797-C806 VanDerWaalsContact OG-CA 3.31Å; S797-C806 WeakPolarHBondContact OG-CA 3.49Å; Q799-C806 VanDerWaalsContact NE2-CA 3.34Å |
| 807 | I | 93.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.3 | 172.5 | -57.7 | 160.3 | 0 | 0 | 0 | 108.7 | L678 L680 S699 I701 F735 Y746 Q747 I795 V796 S797 | L678-I807 HydrophobicContact CD2-CD1 4.05Å; L680-I807 HydrophobicContact CB-CD1 4.14Å; L680-I807 HydrophobicContact CD2-CG1 4.37Å; S699-I807 WeakPolarHBondContact OG-CD1 3.36Å; S699-I807 WeakPolarHBondContact OG-CG1 3.08Å; I701-I807 HydrophobicContact CD1-CB 3.93Å; I701-I807 HydrophobicContact CD1-CD1 3.66Å; I701-I807 HydrophobicContact CD1-CG1 4.33Å; I701-I807 HydrophobicContact CD1-CG2 3.72Å; I701-I807 HydrophobicContact CG1-CB 4.33Å; I701-I807 HydrophobicContact CG1-CD1 3.8Å; F735-I807 HydrophobicContact CE1-CD1 4.32Å; F735-I807 HydrophobicContact CE1-CG1 4.33Å; F735-I807 HydrophobicContact CE1-CG2 3.94Å; F735-I807 HydrophobicContact CZ-CD1 4.14Å; F735-I807 HydrophobicContact CZ-CG1 4.45Å; F735-I807 HydrophobicContact CZ-CG2 3.88Å; Y746-I807 HydrophobicContact CD1-CG2 3.94Å; Y746-I807 HydrophobicContact CG-CG2 4.23Å; Q747-I807 CarbonylContact O-C 3.54Å; Q747-I807 VanDerWaalsContact O-CA 3.32Å; Q747-I807 WeakPolarHBondContact O-CA 3.39Å; I795-I807 WeakPolarHBondContact CA-O 3.28Å; V796-I807 HydrophobicContact CG2-CB 4.4Å; V796-I807 HydrophobicContact CG2-CG2 4.16Å; V796-I807 WeakPolarHBondContact CG2-O 3.31Å; V796-I807 PolarHBondContact N-O 3.07Å; S797-I807 PolarHBondContact OG-N 3.2Å |
| 808 | I | 90 | Very high | 82.4 | Confident | 3.75 Ų | 3.75 | 39 Ų | 39 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.3 | 177 | -55.1 | 165 | 0 | 0 | 0 | 107.4 | L724 Y746 Q747 V749 L793 N794 I795 L810 | L724-I808 HydrophobicContact CD2-CD1 3.84Å; Y746-I808 CarbonylContact C-O 3.56Å; Y746-I808 WeakPolarHBondContact CA-O 3.29Å; Q747-I808 HydrophobicContact CB-CB 4.33Å; Q747-I808 PolarHBondContact N-O 3.04Å; Q747-I808 PolarHBondContact O-N 3.25Å; V749-I808 HydrophobicContact CG2-CD1 3.89Å; V749-I808 HydrophobicContact CG2-CG1 4.46Å; L793-I808 HydrophobicContact CD1-CD1 4.08Å; L793-I808 HydrophobicContact CD2-CD1 4.37Å; N794-I808 CarbonylContact O-C 3.52Å; N794-I808 WeakPolarHBondContact O-CA 3.31Å; I795-I808 HydrophobicContact CG1-CG1 4.4Å; I808-L810 HydrophobicContact CB-CD2 4.48Å; I808-L810 HydrophobicContact CG2-CD2 3.98Å; I808-L810 PolarHBondContact O-N 3.44Å |
| 809 | G | 88.8 | Confident | 82.2 | Confident | 7.5 Ų | 7.5 | 39.6 Ų | 39.6 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | N794 | N794-G809 PolarHBondContact ND2-O 2.99Å; N794-G809 PolarHBondContact O-N 3.28Å |
| 810 | L | 88 | Confident | 82.3 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 12% | 0.12 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -155.5 | 175.8 | -52.6 | -179.4 | 0 | 0 | 0 | 109.9 | R744 V745 Q747 I808 I912 L914 | R744-L810 WeakPolarHBondContact CG-O 3.33Å; R744-L810 PolarHBondContact NH1-O 3.17Å; V745-L810 HydrophobicContact CB-CB 4.37Å; V745-L810 HydrophobicContact CG1-CD1 4.17Å; V745-L810 WeakPolarHBondContact O-CA 3.3Å; V745-L810 WeakPolarHBondContact O-CB 3.45Å; V745-L810 PolarHBondContact O-N 2.96Å; Q747-L810 HydrophobicContact CB-CD1 4.02Å; Q747-L810 HydrophobicContact CB-CG 4.35Å; I808-L810 HydrophobicContact CB-CD2 4.48Å; I808-L810 HydrophobicContact CG2-CD2 3.98Å; I808-L810 PolarHBondContact O-N 3.44Å; L810-I912 HydrophobicContact CD1-CB 4.37Å; L810-I912 HydrophobicContact CD1-CD1 4.37Å; L810-I912 HydrophobicContact CD1-CG2 4.48Å; L810-L914 HydrophobicContact CB-CD1 3.73Å; L810-L914 VanDerWaalsContact CB-CD1 3.43Å; L810-L914 HydrophobicContact CD1-CD1 3.62Å; L810-L914 VanDerWaalsContact CD1-CD1 3.42Å; L810-L914 HydrophobicContact CG-CD1 4.22Å |
| 811 | D | 84.5 | Confident | 82.7 | Confident | 75.5 Ų | 75.5 | 46 Ų | 46 | 40% | 0.404 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 144.7 | -172.5 | -62.8 | -41.1 | 0 | 0 | 0 | 113.4 | V745 L914 | V745-D811 PolarHBondContact N-O 3.12Å; V745-D811 VanDerWaalsContact N-O 3.15Å; D811-L914 HydrophobicContact CB-CB 4.16Å; D811-L914 HydrophobicContact CB-CD1 4.25Å |
| 812 | P | 86.8 | Confident | 83.1 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 148.3 | 169.6 | 32.5 | -32 | 0 | 0 | 0 | 111.7 | C742 S814 | C742-P812 VanDerWaalsContact SG-CB 3.59Å; P812-S814 PolarHBondContact O-N 3.13Å |
| 813 | I | 85.1 | Confident | 83.9 | Confident | 5.25 Ų | 5.25 | 44.2 Ų | 44.2 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 83.1 | 166 | -53.1 | 175.4 | 0 | 0 | 0 | 106.1 | I736 L743 V745 D815 A816 L871 W890 V892 A916 | I736-I813 HydrophobicContact CD1-CD1 4.27Å; I736-I813 HydrophobicContact CG2-CD1 4.28Å; L743-I813 HydrophobicContact CB-CB 4.28Å; L743-I813 HydrophobicContact CB-CD1 4.28Å; L743-I813 PolarHBondContact O-N 2.93Å; V745-I813 HydrophobicContact CG2-CD1 4.4Å; V745-I813 HydrophobicContact CG2-CG1 4.45Å; I813-D815 VanDerWaalsContact C-N 3.28Å; I813-D815 VanDerWaalsContact CG2-OD1 3.31Å; I813-D815 WeakPolarHBondContact CG2-OD1 3.45Å; I813-D815 PolarHBondContact O-N 3.04Å; I813-D815 VanDerWaalsContact O-N 3.13Å; I813-A816 HydrophobicContact CB-CB 4.14Å; I813-A816 HydrophobicContact CG2-CB 3.72Å; I813-A816 WeakPolarHBondContact O-CB 3.32Å; I813-A816 PolarHBondContact O-N 2.91Å; I813-A816 VanDerWaalsContact O-N 3.13Å; I813-L871 HydrophobicContact CD1-CD2 3.89Å; I813-W890 HydrophobicContact CG2-CG 4.42Å; I813-V892 HydrophobicContact CD1-CG2 4.25Å; I813-A916 HydrophobicContact CG1-CB 4.37Å |
| 814 | S | 78.4 | Confident | 84.2 | Confident | 64.5 Ų | 64.5 | 38.5 Ų | 38.5 | 45% | 0.451 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.8 | -164.4 | -29.7 | 0 | 0 | 0 | 0 | 115.2 | P812 I817 | P812-S814 PolarHBondContact O-N 3.13Å; S814-I817 WeakPolarHBondContact O-CD1 3.41Å; S814-I817 WeakPolarHBondContact O-CG1 3.34Å |
| 815 | D | 78.9 | Confident | 84.7 | Confident | 51.75 Ų | 51.75 | 38.9 Ų | 38.9 | 28% | 0.277 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -16.3 | -179.9 | 67.7 | -47.9 | 0 | 0 | 0 | 113.6 | I813 I817 W890 G936 S937 S938 | I813-D815 VanDerWaalsContact C-N 3.28Å; I813-D815 VanDerWaalsContact CG2-OD1 3.31Å; I813-D815 WeakPolarHBondContact CG2-OD1 3.45Å; I813-D815 PolarHBondContact O-N 3.04Å; I813-D815 VanDerWaalsContact O-N 3.13Å; D815-I817 VanDerWaalsContact C-N 3.25Å; D815-I817 PolarHBondContact O-N 3.18Å; D815-W890 PolarHBondContact OD1-NE1 3.02Å; D815-W890 VanDerWaalsContact OD2-CD1 3.26Å; D815-W890 PolarHBondContact OD2-NE1 3.16Å; D815-G936 VanDerWaalsContact CB-O 3.24Å; D815-G936 WeakPolarHBondContact CB-O 3.41Å; D815-G936 VanDerWaalsContact CG-O 3.25Å; D815-G936 VanDerWaalsContact OD1-O 3.1Å; D815-S937 VanDerWaalsContact OD2-CA 3.28Å; D815-S937 WeakPolarHBondContact OD2-CA 3.4Å; D815-S938 PolarHBondContact OD2-N 3.18Å |
| 816 | A | 82.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -78.9 | 70.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C742 L743 I813 W820 W890 | C742-A816 WeakPolarHBondContact CA-O 3.35Å; L743-A816 HydrophobicContact CB-CB 4Å; L743-A816 HydrophobicContact CD1-CB 3.91Å; L743-A816 HydrophobicContact CG-CB 3.91Å; L743-A816 PolarHBondContact N-O 3.12Å; I813-A816 HydrophobicContact CB-CB 4.14Å; I813-A816 HydrophobicContact CG2-CB 3.72Å; I813-A816 WeakPolarHBondContact O-CB 3.32Å; I813-A816 PolarHBondContact O-N 2.91Å; I813-A816 VanDerWaalsContact O-N 3.13Å; A816-W820 VanDerWaalsContact O-CH2 3.26Å; A816-W820 WeakPolarHBondContact O-CH2 3.11Å; A816-W820 WeakPolarHBondContact O-CZ2 3.41Å; A816-W890 HydrophobicContact CB-CH2 4.34Å; A816-W890 HydrophobicContact CB-CZ2 3.74Å | ||
| 817 | I | 80.9 | Confident | 84.9 | Confident | 117.25 Ų | 117.25 | 40.5 Ų | 40.5 | 60% | 0.601 | 21% | 0.206 | S | C | * | . | trans | -109.7 | 107.1 | 177.7 | -56.9 | 172.3 | 0 | 0 | 0 | 108.4 | C742 S814 D815 | C742-I817 HydrophobicContact CB-CG1 4.34Å; S814-I817 WeakPolarHBondContact O-CD1 3.41Å; S814-I817 WeakPolarHBondContact O-CG1 3.34Å; D815-I817 VanDerWaalsContact C-N 3.25Å; D815-I817 PolarHBondContact O-N 3.18Å | ||
| 818 | H | 79.7 | Confident | 84.9 | Confident | 28.25 Ų | 28.25 | 40.6 Ų | 40.6 | 13% | 0.131 | 21% | 0.206 | C | C | . | . | trans | -131.8 | 161 | -176.4 | -62.6 | -87.9 | 0 | 0 | 0 | 112 | W820 E875 H888 W890 | H818-W820 HydrophobicContact CB-CE3 4.29Å; H818-W820 HydrophobicContact CB-CH2 4.22Å; H818-W820 HydrophobicContact CB-CZ2 4.4Å; H818-W820 HydrophobicContact CB-CZ3 4.02Å; H818-W820 AromaticContact CD2-CH2 3.91Å; H818-W820 PolarHBondContact O-N 3.04Å; H818-W820 VanDerWaalsContact O-N 3.09Å; H818-W820 PolarHBondContact O-NE1 3.11Å; H818-E875 IonicContact CE1-OE2 3.57Å; H818-E875 IonicContact CG-OE2 3.7Å; H818-E875 IonicContact ND1-OE2 3.27Å; H818-E875 PolarHBondContact ND1-OE2 3.16Å; H818-E875 VanDerWaalsContact ND1-OE2 3.15Å; H818-H888 AromaticContact CE1-CD2 3.58Å; H818-H888 PolarHBondContact CE1-CD2 3.23Å; H818-H888 VanDerWaalsContact CE1-CD2 3.46Å; H818-H888 AromaticContact CE1-CE1 3.69Å; H818-H888 AromaticContact CE1-CG 3.77Å; H818-H888 AromaticContact CE1-ND1 3.85Å; H818-H888 AromaticContact CE1-NE2 3.51Å; H818-H888 PolarHBondContact CE1-NE2 3.02Å; H818-H888 AromaticContact ND1-CD2 3.91Å; H818-H888 AromaticContact ND1-NE2 3.69Å; H818-W890 AromaticContact CE1-CH2 3.99Å; H818-W890 AromaticContact NE2-CH2 3.32Å; H818-W890 VanDerWaalsContact NE2-CH2 3.3Å; H818-W890 WeakPolarHBondContact NE2-CH2 3.32Å; H818-W890 AromaticContact NE2-CZ2 3.39Å; H818-W890 VanDerWaalsContact NE2-CZ2 3.3Å; H818-W890 WeakPolarHBondContact NE2-CZ2 3.44Å | ||
| 819 | N | 78.3 | Confident | 84.9 | Confident | 69.5 Ų | 69.5 | 40.5 Ų | 40.5 | 37% | 0.372 | 21% | 0.206 | S | C | . | . | trans | -76.7 | 96.7 | 164.9 | -173.9 | -10.4 | 0 | 0 | 0 | 108.7 | R821 H822 | N819-R821 PolarHBondContact O-N 3.11Å; N819-R821 WeakPolarHBondContact OD1-CB 3.27Å; N819-R821 PolarHBondContact OD1-N 2.98Å; N819-H822 HydrophobicContact CB-CB 4.42Å; N819-H822 PolarHBondContact ND2-CE1 3.46Å; N819-H822 VanDerWaalsContact ND2-CE1 3.32Å; N819-H822 PolarHBondContact ND2-ND1 3.27Å; N819-H822 WeakPolarHBondContact O-CA 3.48Å; N819-H822 WeakPolarHBondContact O-CB 3.38Å; N819-H822 PolarHBondContact O-N 3.04Å | ||
| 820 | W | 79.5 | Confident | 84.8 | Confident | 17.25 Ų | 17.25 | 42 Ų | 42 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.7 | -175.3 | -48.4 | 108.1 | 0 | 0 | 0 | 114.7 | S707 S710 N711 S738 G740 L743 A816 H818 H822 V823 L873 | S707-W820 VanDerWaalsContact CB-CD1 3.47Å; S710-W820 WeakPolarHBondContact OG-CB 3.42Å; N711-W820 PolarHBondContact ND2-O 2.78Å; N711-W820 PolarHBondContact OD1-O 3.14Å; S738-W820 VanDerWaalsContact OG-CE2 3.24Å; S738-W820 PolarHBondContact OG-NE1 3.32Å; G740-W820 PolarHBondContact O-NE1 3.37Å; L743-W820 HydrophobicContact CD1-CH2 4.45Å; L743-W820 HydrophobicContact CD1-CZ3 4.43Å; L743-W820 HydrophobicContact CD2-CE3 4.31Å; L743-W820 HydrophobicContact CD2-CH2 3.56Å; L743-W820 HydrophobicContact CD2-CZ2 4.44Å; L743-W820 HydrophobicContact CD2-CZ3 3.44Å; L743-W820 VanDerWaalsContact CD2-CZ3 3.44Å; L743-W820 HydrophobicContact CG-CH2 3.62Å; L743-W820 HydrophobicContact CG-CZ3 3.85Å; A816-W820 VanDerWaalsContact O-CH2 3.26Å; A816-W820 WeakPolarHBondContact O-CH2 3.11Å; A816-W820 WeakPolarHBondContact O-CZ2 3.41Å; H818-W820 HydrophobicContact CB-CE3 4.29Å; H818-W820 HydrophobicContact CB-CH2 4.22Å; H818-W820 HydrophobicContact CB-CZ2 4.4Å; H818-W820 HydrophobicContact CB-CZ3 4.02Å; H818-W820 AromaticContact CD2-CH2 3.91Å; H818-W820 PolarHBondContact O-N 3.04Å; H818-W820 VanDerWaalsContact O-N 3.09Å; H818-W820 PolarHBondContact O-NE1 3.11Å; W820-H822 VanDerWaalsContact C-N 3.27Å; W820-H822 PolarHBondContact O-N 3.22Å; W820-V823 HydrophobicContact CE3-CG2 4.24Å; W820-V823 PolarHBondContact O-N 3.2Å; W820-L873 HydrophobicContact CZ3-CD1 4.26Å |
| 821 | R | 74.3 | Confident | 84.6 | Confident | 168 Ų | 168 | 42.3 Ų | 42.3 | 63% | 0.634 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -21.7 | 174.7 | -85 | -178.9 | 165.9 | 105.7 | 2.2 | 114 | N819 V823 V1127 N1129 V1130 | N819-R821 PolarHBondContact O-N 3.11Å; N819-R821 WeakPolarHBondContact OD1-CB 3.27Å; N819-R821 PolarHBondContact OD1-N 2.98Å; R821-V823 VanDerWaalsContact C-N 3.3Å; R821-V1127 PolarHBondContact NH1-O 2.99Å; R821-N1129 VanDerWaalsContact CD-O 3.26Å; R821-N1129 WeakPolarHBondContact CD-O 3.48Å; R821-N1129 PolarHBondContact NE-O 2.69Å; R821-N1129 VanDerWaalsContact NH2-C 3.29Å; R821-V1130 VanDerWaalsContact CZ-N 3.35Å; R821-V1130 VanDerWaalsContact NE-CA 3.33Å |
| 822 | H | 81.6 | Confident | 84.4 | Confident | 50.75 Ų | 50.75 | 42.5 Ų | 42.5 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -7 | 179.8 | -66.2 | 176 | 0 | 0 | 0 | 112.6 | N819 W820 Q824 E875 K876 | N819-H822 HydrophobicContact CB-CB 4.42Å; N819-H822 PolarHBondContact ND2-CE1 3.46Å; N819-H822 VanDerWaalsContact ND2-CE1 3.32Å; N819-H822 PolarHBondContact ND2-ND1 3.27Å; N819-H822 WeakPolarHBondContact O-CA 3.48Å; N819-H822 WeakPolarHBondContact O-CB 3.38Å; N819-H822 PolarHBondContact O-N 3.04Å; W820-H822 VanDerWaalsContact C-N 3.27Å; W820-H822 PolarHBondContact O-N 3.22Å; H822-Q824 PolarHBondContact O-N 2.92Å; H822-E875 HydrophobicContact CB-CG 4.02Å; H822-K876 HydrophobicContact CB-CB 4.34Å; H822-K876 HydrophobicContact CB-CD 4.29Å; H822-K876 HydrophobicContact CB-CG 3.84Å; H822-K876 WeakPolarHBondContact CD2-CE 3.42Å; H822-K876 PolarHBondContact CD2-NZ 2.79Å; H822-K876 VanDerWaalsContact NE2-CE 3.35Å; H822-K876 WeakPolarHBondContact NE2-CE 3.43Å; H822-K876 PolarHBondContact NE2-NZ 2.99Å; H822-K876 WeakPolarHBondContact O-CB 3.41Å; H822-K876 WeakPolarHBondContact O-CG 3.39Å; H822-K876 PolarHBondContact O-N 3.12Å |
| 823 | V | 87.5 | Confident | 84.1 | Confident | 17.5 Ų | 17.5 | 41.1 Ų | 41.1 | 11% | 0.106 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.3 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 110 | N711 W820 R821 L825 M826 L873 L874 | N711-V823 WeakPolarHBondContact ND2-CB 3.46Å; N711-V823 VanDerWaalsContact ND2-CG1 3.33Å; N711-V823 WeakPolarHBondContact ND2-CG1 3.41Å; N711-V823 PolarHBondContact ND2-O 3.43Å; W820-V823 HydrophobicContact CE3-CG2 4.24Å; W820-V823 PolarHBondContact O-N 3.2Å; R821-V823 VanDerWaalsContact C-N 3.3Å; V823-L825 VanDerWaalsContact CG1-O 3.26Å; V823-L825 WeakPolarHBondContact CG1-O 3.32Å; V823-M826 HydrophobicContact CG1-CB 4.46Å; V823-L873 HydrophobicContact CG1-CD1 3.94Å; V823-L873 HydrophobicContact CG1-CD2 4.17Å; V823-L873 HydrophobicContact CG1-CG 3.74Å; V823-L873 HydrophobicContact CG2-CD1 4.06Å; V823-L873 HydrophobicContact CG2-CD2 4.07Å; V823-L873 HydrophobicContact CG2-CG 4.3Å; V823-L874 CarbonylContact C-O 3.54Å; V823-L874 WeakPolarHBondContact CA-O 3.35Å |
| 824 | Q | 86.9 | Confident | 84 | Confident | 54.75 Ų | 54.75 | 41.1 Ų | 41.1 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -39.7 | 176.9 | -64 | -172.9 | -74.3 | 0 | 0 | 111.7 | H822 L874 K876 V952 | H822-Q824 PolarHBondContact O-N 2.92Å; Q824-L874 HydrophobicContact CB-CB 4.49Å; Q824-L874 HydrophobicContact CB-CD2 4.35Å; Q824-L874 HydrophobicContact CB-CG 4.44Å; Q824-L874 PolarHBondContact N-O 3.13Å; Q824-K876 VanDerWaalsContact CD-CE 3.43Å; Q824-K876 HydrophobicContact CG-CB 4.22Å; Q824-K876 HydrophobicContact CG-CD 3.93Å; Q824-K876 HydrophobicContact CG-CG 3.22Å; Q824-V952 PolarHBondContact NE2-O 3.19Å |
| 825 | L | 92.2 | Very high | 84 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.5 | -179.5 | -178 | 69.8 | 0 | 0 | 0 | 110.4 | V823 L873 L874 C955 P957 L977 | V823-L825 VanDerWaalsContact CG1-O 3.26Å; V823-L825 WeakPolarHBondContact CG1-O 3.32Å; L825-L873 CarbonylContact O-C 3.48Å; L825-L873 WeakPolarHBondContact O-CA 3.39Å; L825-L874 HydrophobicContact CB-CB 4.02Å; L825-L874 PolarHBondContact N-O 3.25Å; L825-L874 PolarHBondContact O-N 2.95Å; L825-C955 HydrophobicContact CB-CB 4.38Å; L825-C955 WeakPolarHBondContact CD2-SG 3.32Å; L825-P957 HydrophobicContact CD1-CG 4.18Å; L825-L977 HydrophobicContact CD2-CD1 4.31Å; L825-L977 HydrophobicContact CD2-CD2 3.37Å; L825-L977 HydrophobicContact CD2-CG 4.45Å |
| 826 | M | 93.2 | Very high | 83.2 | Confident | 2.25 Ų | 2.25 | 38.4 Ų | 38.4 | 1% | 0.011 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 124 | 164.1 | -171.7 | 177.8 | 84.5 | 0 | 0 | 107.6 | R623 N711 V712 A713 I736 L743 V823 L871 V872 L873 | R623-M826 PolarHBondContact NH2-O 2.99Å; N711-M826 VanDerWaalsContact C-CE 3.43Å; N711-M826 HydrophobicContact CB-CB 4.35Å; N711-M826 HydrophobicContact CB-CE 3.96Å; N711-M826 HydrophobicContact CB-SD 3.85Å; V712-M826 VanDerWaalsContact C-CE 3.46Å; V712-M826 VanDerWaalsContact CA-CE 3.5Å; V712-M826 VanDerWaalsContact N-CE 3.29Å; A713-M826 HydrophobicContact CB-CE 3.79Å; A713-M826 HydrophobicContact CB-CG 4.39Å; A713-M826 VanDerWaalsContact N-CE 3.33Å; I736-M826 WeakPolarHBondContact O-CE 3.38Å; L743-M826 HydrophobicContact CD1-SD 4.02Å; L743-M826 HydrophobicContact CD2-SD 3.89Å; V823-M826 HydrophobicContact CG1-CB 4.46Å; M826-L871 HydrophobicContact CG-CD1 3.8Å; M826-L871 HydrophobicContact SD-CD1 4.37Å; M826-V872 WeakPolarHBondContact CA-O 3.37Å; M826-L873 HydrophobicContact CG-CD1 4.41Å; M826-L873 HydrophobicContact SD-CD1 4.38Å |
| 827 | H | 93.4 | Very high | 82.1 | Confident | 31.75 Ų | 31.75 | 42.5 Ų | 42.5 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 155.8 | -177.4 | -166.7 | 66.7 | 0 | 0 | 0 | 110.9 | F829 V872 P957 V959 S960 H961 | H827-F829 AromaticContact CD2-CD1 3.81Å; H827-F829 AromaticContact CD2-CE1 3.51Å; H827-F829 VanDerWaalsContact CD2-CE1 3.48Å; H827-F829 WeakPolarHBondContact CD2-CE1 3.3Å; H827-F829 AromaticContact CD2-CE2 3.84Å; H827-F829 AromaticContact CD2-CZ 3.51Å; H827-F829 VanDerWaalsContact CD2-CZ 3.47Å; H827-F829 WeakPolarHBondContact CD2-CZ 3.48Å; H827-F829 AromaticContact NE2-CE1 3.92Å; H827-V872 PolarHBondContact N-O 3.01Å; H827-V872 PolarHBondContact O-N 2.95Å; H827-P957 HydrophobicContact CB-CB 4.48Å; H827-P957 HydrophobicContact CB-CG 4.41Å; H827-V959 PolarHBondContact NE2-O 3.09Å; H827-S960 VanDerWaalsContact CE1-CB 3.47Å; H827-S960 WeakPolarHBondContact CE1-CB 3.43Å; H827-S960 PolarHBondContact CE1-O 3.29Å; H827-H961 AromaticContact CE1-NE2 3.89Å; H827-H961 AromaticContact NE2-NE2 3.75Å |
| 828 | V | 92.3 | Very high | 80.9 | Confident | 1.25 Ų | 1.25 | 38.7 Ų | 38.7 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.9 | 179.5 | -179 | 0 | 0 | 0 | 0 | 109.2 | A713 W714 I715 I736 F869 Y870 L871 H961 | A713-V828 HydrophobicContact CB-CG2 3.98Å; W714-V828 WeakPolarHBondContact O-CB 3.41Å; I715-V828 HydrophobicContact CG1-CG1 4.4Å; I715-V828 HydrophobicContact CG2-CG1 4.42Å; I736-V828 HydrophobicContact CD1-CG2 4.16Å; V828-F869 HydrophobicContact CG1-CB 3.65Å; V828-F869 HydrophobicContact CG1-CD1 4.28Å; V828-F869 HydrophobicContact CG1-CG 4.25Å; V828-Y870 CarbonylContact C-O 3.57Å; V828-Y870 WeakPolarHBondContact CA-O 3.33Å; V828-L871 HydrophobicContact CG2-CB 4.45Å; V828-L871 HydrophobicContact CG2-CD1 3.79Å; V828-H961 PolarHBondContact O-CE1 2.89Å |
| 829 | F | 89.5 | Confident | 79.7 | Confident | 2.25 Ų | 2.25 | 45.6 Ų | 45.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 146 | 175.4 | -62 | -79.3 | 0 | 0 | 0 | 110.6 | H827 V833 V834 F869 Y870 V872 P957 V959 L976 L977 | H827-F829 AromaticContact CD2-CD1 3.81Å; H827-F829 AromaticContact CD2-CE1 3.51Å; H827-F829 VanDerWaalsContact CD2-CE1 3.48Å; H827-F829 WeakPolarHBondContact CD2-CE1 3.3Å; H827-F829 AromaticContact CD2-CE2 3.84Å; H827-F829 AromaticContact CD2-CZ 3.51Å; H827-F829 VanDerWaalsContact CD2-CZ 3.47Å; H827-F829 WeakPolarHBondContact CD2-CZ 3.48Å; H827-F829 AromaticContact NE2-CE1 3.92Å; F829-V833 HydrophobicContact CD1-CG1 4.43Å; F829-V834 HydrophobicContact CB-CG2 3.75Å; F829-V834 HydrophobicContact CG-CG2 4.41Å; F829-F869 CarbonylContact O-C 3.48Å; F829-F869 VanDerWaalsContact O-CA 3.27Å; F829-F869 WeakPolarHBondContact O-CA 3.29Å; F829-F869 WeakPolarHBondContact O-CB 3.26Å; F829-Y870 PolarHBondContact N-O 3.11Å; F829-Y870 PolarHBondContact O-N 2.96Å; F829-V872 HydrophobicContact CD2-CB 4.34Å; F829-V872 HydrophobicContact CD2-CG2 3.76Å; F829-V872 HydrophobicContact CE2-CB 4.12Å; F829-V872 HydrophobicContact CE2-CG2 3.92Å; F829-P957 HydrophobicContact CE1-CB 4.49Å; F829-P957 HydrophobicContact CZ-CB 4.28Å; F829-V959 HydrophobicContact CD1-CB 4.32Å; F829-V959 HydrophobicContact CE1-CB 4.27Å; F829-L976 HydrophobicContact CD1-CD2 4.35Å; F829-L976 HydrophobicContact CE1-CB 4.12Å; F829-L976 HydrophobicContact CE1-CD2 4.3Å; F829-L976 HydrophobicContact CE2-CB 4.42Å; F829-L976 HydrophobicContact CZ-CB 3.89Å; F829-L977 HydrophobicContact CE2-CD2 4.33Å; F829-L977 HydrophobicContact CZ-CD2 3.92Å |
| 830 | H | 86.9 | Confident | 78.6 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 19% | 0.185 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 146.1 | 167.4 | -167.8 | -104.8 | 0 | 0 | 0 | 109.8 | E832 V833 V834 F869 | H830-E832 VanDerWaalsContact C-N 3.28Å; H830-E832 VanDerWaalsContact CE1-CD 3.47Å; H830-E832 IonicContact CE1-OE1 3.21Å; H830-E832 IonicContact CE1-OE2 3.28Å; H830-E832 PolarHBondContact CE1-OE2 3.12Å; H830-E832 WeakPolarHBondContact ND1-CB 3.39Å; H830-E832 WeakPolarHBondContact ND1-CG 3.49Å; H830-E832 PolarHBondContact ND1-N 3.09Å; H830-E832 IonicContact ND1-OE2 3.33Å; H830-E832 PolarHBondContact ND1-OE2 2.99Å; H830-E832 PolarHBondContact O-N 3.14Å; H830-V833 HydrophobicContact CB-CG2 4.22Å; H830-V833 WeakPolarHBondContact O-CB 3.38Å; H830-V833 PolarHBondContact O-N 3.3Å; H830-V833 VanDerWaalsContact O-N 3.14Å; H830-V834 PolarHBondContact O-N 2.88Å; H830-F869 AromaticContact CD2-CD1 3.97Å; H830-F869 AromaticContact CD2-CE1 3.55Å |
| 831 | E | 84.3 | Confident | 77 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.5 | -44.9 | -178.9 | 174.1 | 172.4 | -128.8 | 0 | 0 | 112.3 | V833 V834 M835 R868 Y870 | E831-V833 VanDerWaalsContact C-N 3.27Å; E831-V833 PolarHBondContact O-N 3.05Å; E831-V833 VanDerWaalsContact O-N 3.13Å; E831-V834 PolarHBondContact O-N 3.3Å; E831-V834 VanDerWaalsContact O-N 3.11Å; E831-M835 HydrophobicContact CG-CE 4.48Å; E831-M835 HydrophobicContact CG-CG 3.76Å; E831-M835 WeakPolarHBondContact O-CB 3.39Å; E831-M835 VanDerWaalsContact O-CG 3.29Å; E831-M835 WeakPolarHBondContact O-CG 3.37Å; E831-M835 PolarHBondContact O-N 3.24Å; E831-R868 HydrophobicContact CB-CB 4.05Å; E831-R868 VanDerWaalsContact CB-O 3.27Å; E831-R868 WeakPolarHBondContact CB-O 3.44Å; E831-R868 VanDerWaalsContact CD-NE 3.31Å; E831-R868 HydrophobicContact CG-CB 4.34Å; E831-R868 PolarHBondContact N-O 3.06Å; E831-R868 VanDerWaalsContact N-O 3.12Å; E831-R868 VanDerWaalsContact OE1-CD 3.28Å; E831-R868 WeakPolarHBondContact OE1-CD 3.31Å; E831-R868 IonicContact OE1-CZ 3.26Å; E831-R868 IonicContact OE1-NE 2.68Å; E831-R868 PolarHBondContact OE1-NE 3.18Å; E831-R868 IonicContact OE1-NH1 3.49Å; E831-R868 PolarHBondContact OE1-NH1 2.81Å; E831-R868 IonicContact OE1-NH2 3.53Å; E831-R868 PolarHBondContact OE1-NH2 2.93Å; E831-R868 WeakPolarHBondContact OE2-CB 3.36Å; E831-R868 WeakPolarHBondContact OE2-CD 3.39Å; E831-R868 IonicContact OE2-CZ 3.31Å; E831-R868 IonicContact OE2-NE 2.87Å; E831-R868 PolarHBondContact OE2-NE 3.11Å; E831-R868 IonicContact OE2-NH2 3.21Å; E831-R868 PolarHBondContact OE2-NH2 2.88Å; E831-Y870 HydrophobicContact CB-CD2 4.49Å; E831-Y870 HydrophobicContact CB-CE2 4.15Å; E831-Y870 HydrophobicContact CG-CE2 3.99Å |
| 832 | E | 79.6 | Confident | 75.7 | Confident | 81 Ų | 81 | 42.6 Ų | 42.6 | 38% | 0.379 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.7 | -33.8 | -179.3 | -67.4 | 171.6 | 177.5 | 0 | 0 | 113.4 | H830 V834 M835 T836 L849 S854 | H830-E832 VanDerWaalsContact C-N 3.28Å; H830-E832 VanDerWaalsContact CE1-CD 3.47Å; H830-E832 IonicContact CE1-OE1 3.21Å; H830-E832 IonicContact CE1-OE2 3.28Å; H830-E832 PolarHBondContact CE1-OE2 3.12Å; H830-E832 WeakPolarHBondContact ND1-CB 3.39Å; H830-E832 WeakPolarHBondContact ND1-CG 3.49Å; H830-E832 PolarHBondContact ND1-N 3.09Å; H830-E832 IonicContact ND1-OE2 3.33Å; H830-E832 PolarHBondContact ND1-OE2 2.99Å; H830-E832 PolarHBondContact O-N 3.14Å; E832-V834 VanDerWaalsContact C-N 3.29Å; E832-V834 PolarHBondContact O-N 3.09Å; E832-M835 PolarHBondContact O-N 2.98Å; E832-T836 WeakPolarHBondContact O-CG2 3.4Å; E832-T836 PolarHBondContact O-N 3.14Å; E832-L849 HydrophobicContact CB-CD2 4.4Å; E832-L849 HydrophobicContact CG-CD2 3.94Å; E832-S854 VanDerWaalsContact CD-OG 3.28Å; E832-S854 VanDerWaalsContact OE1-CB 3.23Å; E832-S854 WeakPolarHBondContact OE1-CB 3.39Å; E832-S854 PolarHBondContact OE1-OG 3.26Å; E832-S854 PolarHBondContact OE2-OG 3.24Å |
| 833 | V | 81.6 | Confident | 73.9 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.7 | -29.9 | -179.2 | 178 | 0 | 0 | 0 | 0 | 111.3 | F829 H830 E831 T836 V959 A973 L976 | F829-V833 HydrophobicContact CD1-CG1 4.43Å; H830-V833 HydrophobicContact CB-CG2 4.22Å; H830-V833 WeakPolarHBondContact O-CB 3.38Å; H830-V833 PolarHBondContact O-N 3.3Å; H830-V833 VanDerWaalsContact O-N 3.14Å; E831-V833 VanDerWaalsContact C-N 3.27Å; E831-V833 PolarHBondContact O-N 3.05Å; E831-V833 VanDerWaalsContact O-N 3.13Å; V833-T836 WeakPolarHBondContact O-CG2 3.36Å; V833-T836 PolarHBondContact O-OG1 3.11Å; V833-V959 HydrophobicContact CG1-CB 4.36Å; V833-V959 HydrophobicContact CG1-CG1 4Å; V833-V959 HydrophobicContact CG1-CG2 4.12Å; V833-V959 HydrophobicContact CG2-CG1 4.48Å; V833-A973 HydrophobicContact CG1-CB 4.29Å; V833-L976 HydrophobicContact CG1-CD2 3.71Å |
| 834 | V | 82.7 | Confident | 72 | Confident | 5.75 Ų | 5.75 | 47 Ų | 47 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -86.3 | -33.9 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | F829 H830 E831 E832 T836 Y870 M889 L976 C991 V993 | F829-V834 HydrophobicContact CB-CG2 3.75Å; F829-V834 HydrophobicContact CG-CG2 4.41Å; H830-V834 PolarHBondContact O-N 2.88Å; E831-V834 PolarHBondContact O-N 3.3Å; E831-V834 VanDerWaalsContact O-N 3.11Å; E832-V834 VanDerWaalsContact C-N 3.29Å; E832-V834 PolarHBondContact O-N 3.09Å; V834-T836 VanDerWaalsContact C-N 3.33Å; V834-T836 PolarHBondContact O-N 3.18Å; V834-Y870 HydrophobicContact CB-CD2 3.69Å; V834-Y870 HydrophobicContact CB-CE2 3.94Å; V834-Y870 HydrophobicContact CG1-CD2 4.01Å; V834-Y870 HydrophobicContact CG1-CE2 4.12Å; V834-Y870 HydrophobicContact CG1-CG 4.49Å; V834-Y870 HydrophobicContact CG2-CD2 3.57Å; V834-Y870 HydrophobicContact CG2-CE2 4.34Å; V834-Y870 HydrophobicContact CG2-CG 4.17Å; V834-M889 HydrophobicContact CG1-CE 3.82Å; V834-M889 HydrophobicContact CG2-CE 4.31Å; V834-L976 HydrophobicContact CG1-CD1 4.39Å; V834-L976 HydrophobicContact CG2-CD1 4.02Å; V834-C991 HydrophobicContact CG1-CB 4.15Å; V834-V993 HydrophobicContact CG1-CG2 4.3Å |
| 835 | M | 77.1 | Confident | 69.9 | Low | 26.25 Ų | 26.25 | 46 Ų | 46 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.4 | 10.4 | -175.1 | -62.5 | -65.8 | -125.7 | 0 | 0 | 114.1 | E831 E832 D837 T838 I840 Y870 V993 L1001 Y1003 | E831-M835 HydrophobicContact CG-CE 4.48Å; E831-M835 HydrophobicContact CG-CG 3.76Å; E831-M835 WeakPolarHBondContact O-CB 3.39Å; E831-M835 VanDerWaalsContact O-CG 3.29Å; E831-M835 WeakPolarHBondContact O-CG 3.37Å; E831-M835 PolarHBondContact O-N 3.24Å; E832-M835 PolarHBondContact O-N 2.98Å; M835-D837 VanDerWaalsContact C-N 3.31Å; M835-D837 PolarHBondContact O-N 3.29Å; M835-D837 VanDerWaalsContact O-N 3.16Å; M835-T838 HydrophobicContact CB-CG2 4.16Å; M835-T838 HydrophobicContact CE-CG2 3.92Å; M835-T838 VanDerWaalsContact O-CG2 3.24Å; M835-T838 WeakPolarHBondContact O-CG2 3.32Å; M835-T838 PolarHBondContact O-OG1 2.95Å; M835-T838 HydrophobicContact SD-CG2 3.97Å; M835-I840 HydrophobicContact CE-CD1 3.93Å; M835-Y870 HydrophobicContact CE-CE2 4.17Å; M835-Y870 WeakPolarHBondContact CE-OH 3.04Å; M835-Y870 HydrophobicContact CG-CE2 4.31Å; M835-Y870 HydrophobicContact SD-CE2 4.41Å; M835-V993 HydrophobicContact CE-CG1 4.2Å; M835-V993 HydrophobicContact SD-CB 4.26Å; M835-V993 HydrophobicContact SD-CG1 4Å; M835-V993 HydrophobicContact SD-CG2 4.13Å; M835-L1001 HydrophobicContact CE-CD1 3.96Å; M835-L1001 HydrophobicContact CE-CD2 4.49Å; M835-Y1003 HydrophobicContact CE-CE1 4.2Å |
| 836 | T | 63.3 | Low | 67.5 | Low | 31.75 Ų | 31.75 | 48.2 Ų | 48.2 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -30.6 | -171.2 | 50 | 0 | 0 | 0 | 0 | 114.8 | E832 V833 V834 R972 | E832-T836 WeakPolarHBondContact O-CG2 3.4Å; E832-T836 PolarHBondContact O-N 3.14Å; V833-T836 WeakPolarHBondContact O-CG2 3.36Å; V833-T836 PolarHBondContact O-OG1 3.11Å; V834-T836 VanDerWaalsContact C-N 3.33Å; V834-T836 PolarHBondContact O-N 3.18Å; T836-R972 HydrophobicContact CG2-CB 4.12Å; T836-R972 HydrophobicContact CG2-CG 3.86Å; T836-R972 PolarHBondContact O-NH1 3.1Å |
| 837 | D | 58.5 | Low | 64.8 | Low | 87.75 Ų | 87.75 | 54.1 Ų | 54.1 | 47% | 0.469 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 30 | -170.2 | -130.2 | 9.2 | 0 | 0 | 0 | 112.4 | M835 H839 R990 | M835-D837 VanDerWaalsContact C-N 3.31Å; M835-D837 PolarHBondContact O-N 3.29Å; M835-D837 VanDerWaalsContact O-N 3.16Å; D837-H839 PolarHBondContact O-N 3.34Å; D837-H839 VanDerWaalsContact O-N 3.16Å; D837-R990 IonicContact OD2-CZ 2.88Å; D837-R990 IonicContact OD2-NH1 3.55Å; D837-R990 PolarHBondContact OD2-NH1 3.23Å |
| 838 | T | 57.3 | Low | 62.3 | Low | 37 Ų | 37 | 59.8 Ų | 59.8 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | trans | -85.2 | 127.6 | -173.6 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | M835 I840 V993 | M835-T838 HydrophobicContact CB-CG2 4.16Å; M835-T838 HydrophobicContact CE-CG2 3.92Å; M835-T838 VanDerWaalsContact O-CG2 3.24Å; M835-T838 WeakPolarHBondContact O-CG2 3.32Å; M835-T838 PolarHBondContact O-OG1 2.95Å; M835-T838 HydrophobicContact SD-CG2 3.97Å; T838-I840 HydrophobicContact CG2-CD1 3.98Å; T838-I840 PolarHBondContact O-N 3.33Å; T838-V993 HydrophobicContact CG2-CB 3.72Å; T838-V993 HydrophobicContact CG2-CG1 4.24Å; T838-V993 HydrophobicContact CG2-CG2 4.28Å | ||
| 839 | H | 52.8 | Low | 59.7 | Low | 172.75 Ų | 172.75 | 62.5 Ų | 62.5 | 80% | 0.8 | 35% | 0.345 | S | S | * | . | trans | -73.7 | 30.7 | 169.1 | -71.9 | -70.5 | 0 | 0 | 0 | 112.8 | D837 P841 D992 | D837-H839 PolarHBondContact O-N 3.34Å; D837-H839 VanDerWaalsContact O-N 3.16Å; H839-P841 WeakPolarHBondContact O-CD 3.41Å; H839-D992 IonicContact CD2-OD1 3.93Å | ||
| 840 | I | 55.1 | Low | 57.2 | Low | 25.5 Ų | 25.5 | 67.5 Ų | 67.5 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | trans | -81.4 | 126.5 | -177.5 | -62.7 | 165.3 | 0 | 0 | 0 | 108.3 | M835 T838 S842 V844 V845 V993 M995 L1001 | M835-I840 HydrophobicContact CE-CD1 3.93Å; T838-I840 HydrophobicContact CG2-CD1 3.98Å; T838-I840 PolarHBondContact O-N 3.33Å; I840-S842 PolarHBondContact O-N 3.07Å; I840-V844 HydrophobicContact CG2-CB 4.14Å; I840-V844 HydrophobicContact CG2-CG1 4.19Å; I840-V845 HydrophobicContact CB-CG2 4.09Å; I840-V845 HydrophobicContact CG2-CG2 3.76Å; I840-V993 HydrophobicContact CD1-CG1 4.5Å; I840-M995 HydrophobicContact CD1-CE 4.09Å; I840-M995 HydrophobicContact CD1-CG 4.37Å; I840-M995 HydrophobicContact CG1-CB 4.45Å; I840-M995 HydrophobicContact CG1-CE 4.13Å; I840-M995 HydrophobicContact CG1-CG 4.15Å; I840-M995 HydrophobicContact CG1-SD 4.23Å; I840-M995 HydrophobicContact CG2-CE 3.82Å; I840-M995 HydrophobicContact CG2-CG 4.46Å; I840-M995 HydrophobicContact CG2-SD 4.25Å; I840-L1001 HydrophobicContact CD1-CD2 3.65Å; I840-L1001 HydrophobicContact CG1-CD2 4.34Å | ||
| 841 | P | 46.8 | Very low | 54.7 | Low | 75.75 Ų | 75.75 | 72.3 Ų | 72.3 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | trans | -56.3 | 134.1 | 173.7 | -21.8 | 31.6 | 0 | 0 | 0 | 110.6 | H839 S843 V844 | H839-P841 WeakPolarHBondContact O-CD 3.41Å; P841-S843 PolarHBondContact O-N 3.11Å; P841-V844 PolarHBondContact O-N 3.01Å; P841-V844 VanDerWaalsContact O-N 3.16Å | ||
| 842 | S | 48.1 | Very low | 52.5 | Low | 90 Ų | 90 | 73.7 Ų | 73.7 | 63% | 0.629 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -17.5 | -177.9 | 29.8 | 0 | 0 | 0 | 0 | 114.3 | I840 V844 L850 | I840-S842 PolarHBondContact O-N 3.07Å; S842-V844 VanDerWaalsContact C-N 3.29Å; S842-V844 PolarHBondContact O-N 3.26Å; S842-L850 WeakPolarHBondContact O-CD1 3.38Å |
| 843 | S | 43.4 | Very low | 50.5 | Low | 107.75 Ų | 107.75 | 77 Ų | 77 | 75% | 0.753 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16.2 | 178.7 | 70.1 | 0 | 0 | 0 | 0 | 115.4 | P841 | P841-S843 PolarHBondContact O-N 3.11Š|
| 844 | V | 46.2 | Very low | 48.4 | Very low | 52.5 Ų | 52.5 | 79.4 Ų | 79.4 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -25.1 | -178.1 | -173.6 | 0 | 0 | 0 | 0 | 112 | I840 P841 S842 S846 A923 M995 | I840-V844 HydrophobicContact CG2-CB 4.14Å; I840-V844 HydrophobicContact CG2-CG1 4.19Å; P841-V844 PolarHBondContact O-N 3.01Å; P841-V844 VanDerWaalsContact O-N 3.16Å; S842-V844 VanDerWaalsContact C-N 3.29Å; S842-V844 PolarHBondContact O-N 3.26Å; V844-S846 PolarHBondContact O-N 3.09Å; V844-A923 HydrophobicContact CG1-CB 3.95Å; V844-M995 HydrophobicContact CB-CE 3.86Å; V844-M995 HydrophobicContact CB-SD 4.24Å; V844-M995 HydrophobicContact CG1-CE 3.67Å; V844-M995 VanDerWaalsContact CG1-CE 3.48Å; V844-M995 HydrophobicContact CG1-SD 3.9Å; V844-M995 VanDerWaalsContact CG1-SD 3.59Å; V844-M995 HydrophobicContact CG2-CE 3.91Å; V844-M995 HydrophobicContact CG2-SD 4.41Å |
| 845 | V | 44.7 | Very low | 46.4 | Very low | 35.75 Ų | 35.75 | 83.6 Ų | 83.6 | 22% | 0.217 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -71.5 | 103.8 | 171.2 | -177.4 | 0 | 0 | 0 | 0 | 107 | I840 D847 L849 | I840-V845 HydrophobicContact CB-CG2 4.09Å; I840-V845 HydrophobicContact CG2-CG2 3.76Å; V845-D847 PolarHBondContact O-N 3.27Å; V845-L849 HydrophobicContact CG1-CB 3.39Å; V845-L849 VanDerWaalsContact CG1-CB 3.47Å; V845-L849 HydrophobicContact CG1-CD1 3.62Å; V845-L849 VanDerWaalsContact CG1-CD1 3.48Å; V845-L849 HydrophobicContact CG1-CG 4.11Å |
| 846 | S | 40.6 | Very low | 44.7 | Very low | 57.75 Ų | 57.75 | 86.9 Ų | 86.9 | 40% | 0.404 | 50% | 0.499 | S | S | . | . | trans | -46.6 | 139.9 | -179.9 | -5.5 | 0 | 0 | 0 | 0 | 111.2 | V844 K848 L849 H921 | V844-S846 PolarHBondContact O-N 3.09Å; S846-K848 CarbonylContact O-C 3.55Å; S846-K848 PolarHBondContact O-N 3.08Å; S846-L849 PolarHBondContact O-N 3.16Å; S846-L849 VanDerWaalsContact O-N 3.11Å; S846-H921 PolarHBondContact OG-CE1 2.89Å | ||
| 847 | D | 37 | Very low | 43.9 | Very low | 125.75 Ų | 125.75 | 90.3 Ų | 90.3 | 67% | 0.672 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -46.5 | -17.4 | -178.1 | -76.4 | -33.1 | 0 | 0 | 0 | 115.1 | V845 L849 L850 H851 | V845-D847 PolarHBondContact O-N 3.27Å; D847-L849 VanDerWaalsContact C-N 3.27Å; D847-L849 PolarHBondContact O-N 3.01Å; D847-L850 PolarHBondContact O-N 3.15Å; D847-H851 WeakPolarHBondContact O-CB 3.13Å; D847-H851 PolarHBondContact O-CD2 3.09Å; D847-H851 VanDerWaalsContact O-CD2 3.26Å; D847-H851 PolarHBondContact O-N 3.24Å; D847-H851 VanDerWaalsContact O-N 3.11Å |
| 848 | K | 39.6 | Very low | 43.3 | Very low | 153 Ų | 153 | 91.5 Ų | 91.5 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.4 | -25.2 | 173 | -65.8 | -165.2 | 176.5 | -164.3 | 0 | 114.9 | S846 S852 E862 | S846-K848 CarbonylContact O-C 3.55Å; S846-K848 PolarHBondContact O-N 3.08Å; K848-S852 VanDerWaalsContact O-CB 3.29Å; K848-S852 WeakPolarHBondContact O-CB 3.35Å; K848-S852 PolarHBondContact O-N 2.92Å; K848-E862 IonicContact NZ-OE1 3.48Å; K848-E862 PolarHBondContact NZ-OE1 2.96Å; K848-E862 IonicContact NZ-OE2 3.86Å |
| 849 | L | 39.4 | Very low | 43.1 | Very low | 56.75 Ų | 56.75 | 92.9 Ų | 92.9 | 30% | 0.297 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -87.8 | -19.5 | -179.3 | -90.9 | 155.4 | 0 | 0 | 0 | 112.9 | E832 V845 S846 D847 H851 S852 | E832-L849 HydrophobicContact CB-CD2 4.4Å; E832-L849 HydrophobicContact CG-CD2 3.94Å; V845-L849 HydrophobicContact CG1-CB 3.39Å; V845-L849 VanDerWaalsContact CG1-CB 3.47Å; V845-L849 HydrophobicContact CG1-CD1 3.62Å; V845-L849 VanDerWaalsContact CG1-CD1 3.48Å; V845-L849 HydrophobicContact CG1-CG 4.11Å; S846-L849 PolarHBondContact O-N 3.16Å; S846-L849 VanDerWaalsContact O-N 3.11Å; D847-L849 VanDerWaalsContact C-N 3.27Å; D847-L849 PolarHBondContact O-N 3.01Å; L849-H851 VanDerWaalsContact C-N 3.35Å; L849-S852 WeakPolarHBondContact O-CB 3.33Å; L849-S852 PolarHBondContact O-N 2.89Å; L849-S852 PolarHBondContact O-OG 3.2Å |
| 850 | L | 36.2 | Very low | 43.1 | Very low | 107.25 Ų | 107.25 | 88.8 Ų | 88.8 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -91.4 | -17.7 | 177.4 | -75.6 | 167.1 | 0 | 0 | 0 | 112.9 | S842 D847 S852 | S842-L850 WeakPolarHBondContact O-CD1 3.38Å; D847-L850 PolarHBondContact O-N 3.15Å; L850-S852 PolarHBondContact O-N 2.98Å |
| 851 | H | 35.2 | Very low | 42.8 | Very low | 140.25 Ų | 140.25 | 96 Ų | 96 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -90.5 | 16.7 | 175.4 | -69.7 | -50.5 | 0 | 0 | 0 | 114.1 | D847 L849 D853 S854 E1474 | D847-H851 WeakPolarHBondContact O-CB 3.13Å; D847-H851 PolarHBondContact O-CD2 3.09Å; D847-H851 VanDerWaalsContact O-CD2 3.26Å; D847-H851 PolarHBondContact O-N 3.24Å; D847-H851 VanDerWaalsContact O-N 3.11Å; L849-H851 VanDerWaalsContact C-N 3.35Å; H851-D853 VanDerWaalsContact C-N 3.3Å; H851-D853 PolarHBondContact O-N 3.24Å; H851-D853 VanDerWaalsContact O-N 3.09Å; H851-S854 PolarHBondContact O-N 2.86Å; H851-S854 PolarHBondContact O-OG 3.41Å; H851-E1474 IonicContact NE2-OE1 3.05Å |
| 852 | S | 36.8 | Very low | 43.2 | Very low | 57.75 Ų | 57.75 | 96.5 Ų | 96.5 | 40% | 0.404 | 54% | 0.54 | S | S | . | . | trans | -86.3 | 50.8 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | K848 L849 L850 S854 | K848-S852 VanDerWaalsContact O-CB 3.29Å; K848-S852 WeakPolarHBondContact O-CB 3.35Å; K848-S852 PolarHBondContact O-N 2.92Å; L849-S852 WeakPolarHBondContact O-CB 3.33Å; L849-S852 PolarHBondContact O-N 2.89Å; L849-S852 PolarHBondContact O-OG 3.2Å; L850-S852 PolarHBondContact O-N 2.98Å; S852-S854 CarbonylContact O-C 3.58Å; S852-S854 PolarHBondContact O-N 3.08Å; S852-S854 VanDerWaalsContact O-N 3.13Å; S852-S854 PolarHBondContact O-OG 3.21Å | ||
| 853 | D | 37.8 | Very low | 43.6 | Very low | 151.25 Ų | 151.25 | 95.6 Ų | 95.6 | 81% | 0.809 | 54% | 0.538 | S | S | * | . | trans | -59 | 20.6 | 163.8 | -85.6 | -22.4 | 0 | 0 | 0 | 110.2 | H851 S855 C856 | H851-D853 VanDerWaalsContact C-N 3.3Å; H851-D853 PolarHBondContact O-N 3.24Å; H851-D853 VanDerWaalsContact O-N 3.09Å; D853-S855 PolarHBondContact O-N 3.28Å; D853-C856 HydrophobicContact CB-CB 4.41Å; D853-C856 WeakPolarHBondContact O-CA 3.49Å; D853-C856 WeakPolarHBondContact O-CB 3.42Å; D853-C856 PolarHBondContact O-N 3.25Å | ||
| 854 | S | 37.1 | Very low | 44.5 | Very low | 70 Ų | 70 | 93.9 Ų | 93.9 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -77.2 | 69.3 | 173.7 | 62.3 | 0 | 0 | 0 | 0 | 111 | E832 H851 S852 C856 R859 | E832-S854 VanDerWaalsContact CD-OG 3.28Å; E832-S854 VanDerWaalsContact OE1-CB 3.23Å; E832-S854 WeakPolarHBondContact OE1-CB 3.39Å; E832-S854 PolarHBondContact OE1-OG 3.26Å; E832-S854 PolarHBondContact OE2-OG 3.24Å; H851-S854 PolarHBondContact O-N 2.86Å; H851-S854 PolarHBondContact O-OG 3.41Å; S852-S854 CarbonylContact O-C 3.58Å; S852-S854 PolarHBondContact O-N 3.08Å; S852-S854 VanDerWaalsContact O-N 3.13Å; S852-S854 PolarHBondContact O-OG 3.21Å; S854-C856 PolarHBondContact O-N 3.05Å; S854-R859 PolarHBondContact O-NH2 3.41Å; S854-R859 VanDerWaalsContact O-NH2 3.14Å |
| 855 | S | 40.9 | Very low | 45.6 | Very low | 92.25 Ų | 92.25 | 91.9 Ų | 91.9 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -81.5 | 16.6 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | D853 L857 | D853-S855 PolarHBondContact O-N 3.28Å; S855-L857 PolarHBondContact O-N 3.02Å |
| 856 | C | 41.3 | Very low | 47.2 | Very low | 95.5 Ų | 95.5 | 93.8 Ų | 93.8 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -93.7 | 96.8 | 173.1 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | D853 S854 D858 | D853-C856 HydrophobicContact CB-CB 4.41Å; D853-C856 WeakPolarHBondContact O-CA 3.49Å; D853-C856 WeakPolarHBondContact O-CB 3.42Å; D853-C856 PolarHBondContact O-N 3.25Å; S854-C856 PolarHBondContact O-N 3.05Å; C856-D858 VanDerWaalsContact C-N 3.26Å; C856-D858 PolarHBondContact O-N 3.07Å |
| 857 | L | 47.4 | Very low | 49.1 | Very low | 104.25 Ų | 104.25 | 91.8 Ų | 91.8 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | trans | -66.6 | 80.2 | 174.2 | -128.3 | 99.1 | 0 | 0 | 0 | 110.1 | I629 S855 R859 | I629-L857 HydrophobicContact CG2-CD2 4.21Å; S855-L857 PolarHBondContact O-N 3.02Å; L857-R859 HydrophobicContact CB-CG 4.25Å; L857-R859 HydrophobicContact CD2-CG 4.03Å; L857-R859 HydrophobicContact CG-CG 4.28Å; L857-R859 WeakPolarHBondContact O-CG 3.44Å; L857-R859 PolarHBondContact O-N 3.35Å; L857-R859 VanDerWaalsContact O-N 3.15Å | ||
| 858 | D | 44.9 | Very low | 51.4 | Low | 112 Ų | 112 | 87.7 Ų | 87.7 | 60% | 0.599 | 48% | 0.476 | S | S | * | . | trans | -77.8 | 91.7 | 174.3 | -176.5 | 8 | 0 | 0 | 0 | 110.3 | C856 S860 | C856-D858 VanDerWaalsContact C-N 3.26Å; C856-D858 PolarHBondContact O-N 3.07Å; D858-S860 VanDerWaalsContact C-N 3.34Å; D858-S860 VanDerWaalsContact CG-OG 3.32Å; D858-S860 PolarHBondContact O-N 3.08Å; D858-S860 WeakPolarHBondContact OD1-CB 3.32Å; D858-S860 PolarHBondContact OD1-N 3.16Å; D858-S860 VanDerWaalsContact OD1-N 3.14Å; D858-S860 PolarHBondContact OD1-OG 3.06Å; D858-S860 PolarHBondContact OD2-OG 2.88Å | ||
| 859 | R | 53.1 | Low | 53.7 | Low | 66.5 Ų | 66.5 | 80.4 Ų | 80.4 | 25% | 0.251 | 45% | 0.445 | S | S | . | . | trans | -88.2 | 10.9 | -179.7 | -60.3 | -176.7 | 124.9 | 168.7 | 7.8 | 113.4 | P720 S854 L857 K861 E862 H866 D867 | P720-R859 HydrophobicContact CG-CB 4.26Å; S854-R859 PolarHBondContact O-NH2 3.41Å; S854-R859 VanDerWaalsContact O-NH2 3.14Å; L857-R859 HydrophobicContact CB-CG 4.25Å; L857-R859 HydrophobicContact CD2-CG 4.03Å; L857-R859 HydrophobicContact CG-CG 4.28Å; L857-R859 WeakPolarHBondContact O-CG 3.44Å; L857-R859 PolarHBondContact O-N 3.35Å; L857-R859 VanDerWaalsContact O-N 3.15Å; R859-K861 PolarHBondContact O-N 3.08Å; R859-K861 VanDerWaalsContact O-N 3.12Å; R859-E862 HydrophobicContact CB-CG 4.38Å; R859-E862 WeakPolarHBondContact CD-OE2 3.47Å; R859-E862 IonicContact CZ-OE2 3.12Å; R859-E862 IonicContact NE-OE2 3.22Å; R859-E862 PolarHBondContact NE-OE2 3.18Å; R859-E862 IonicContact NH2-OE2 3.48Å; R859-E862 PolarHBondContact O-N 2.89Å; R859-E862 VanDerWaalsContact O-N 3.14Å; R859-H866 PolarHBondContact NH2-O 3.19Å; R859-D867 IonicContact CZ-OD1 3.19Å; R859-D867 IonicContact CZ-OD2 3.08Å; R859-D867 VanDerWaalsContact NH1-CG 3.29Å; R859-D867 IonicContact NH1-OD1 3.39Å; R859-D867 PolarHBondContact NH1-OD1 2.91Å; R859-D867 IonicContact NH1-OD2 3.36Å; R859-D867 PolarHBondContact NH1-OD2 3.13Å; R859-D867 VanDerWaalsContact NH1-OD2 3.11Å; R859-D867 IonicContact NH2-OD1 3.53Å; R859-D867 PolarHBondContact NH2-OD1 3.11Å; R859-D867 IonicContact NH2-OD2 3.45Å; R859-D867 PolarHBondContact NH2-OD2 3.31Å | ||
| 860 | S | 53.9 | Low | 56.2 | Low | 88 Ų | 88 | 77.7 Ų | 77.7 | 62% | 0.615 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21 | -176.5 | 67 | 0 | 0 | 0 | 0 | 114 | D858 | D858-S860 VanDerWaalsContact C-N 3.34Å; D858-S860 VanDerWaalsContact CG-OG 3.32Å; D858-S860 PolarHBondContact O-N 3.08Å; D858-S860 WeakPolarHBondContact OD1-CB 3.32Å; D858-S860 PolarHBondContact OD1-N 3.16Å; D858-S860 VanDerWaalsContact OD1-N 3.14Å; D858-S860 PolarHBondContact OD1-OG 3.06Å; D858-S860 PolarHBondContact OD2-OG 2.88Å |
| 861 | K | 49 | Very low | 58.9 | Low | 175.25 Ų | 175.25 | 72.6 Ų | 72.6 | 76% | 0.762 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -9 | -176.7 | -62.5 | -179 | -177.4 | 172.9 | 0 | 114.8 | R859 A863 L1492 | R859-K861 PolarHBondContact O-N 3.08Å; R859-K861 VanDerWaalsContact O-N 3.12Å; K861-A863 PolarHBondContact O-N 2.9Å; K861-L1492 PolarHBondContact NZ-O 3.16Å |
| 862 | E | 55.2 | Low | 61.6 | Low | 86.25 Ų | 86.25 | 66 Ų | 66 | 40% | 0.403 | 37% | 0.373 | S | S | . | . | trans | -81.4 | 121.3 | -177.6 | -66.1 | -170.9 | 144.7 | 0 | 0 | 111.1 | S722 K848 R859 T864 | S722-E862 PolarHBondContact OG-O 3.45Å; K848-E862 IonicContact NZ-OE1 3.48Å; K848-E862 PolarHBondContact NZ-OE1 2.96Å; K848-E862 IonicContact NZ-OE2 3.86Å; R859-E862 HydrophobicContact CB-CG 4.38Å; R859-E862 WeakPolarHBondContact CD-OE2 3.47Å; R859-E862 IonicContact CZ-OE2 3.12Å; R859-E862 IonicContact NE-OE2 3.22Å; R859-E862 PolarHBondContact NE-OE2 3.18Å; R859-E862 IonicContact NH2-OE2 3.48Å; R859-E862 PolarHBondContact O-N 2.89Å; R859-E862 VanDerWaalsContact O-N 3.14Å; E862-T864 VanDerWaalsContact C-N 3.27Å; E862-T864 PolarHBondContact O-N 3.15Å | ||
| 863 | A | 56.1 | Low | 64.4 | Low | 72 Ų | 72 | 63.2 Ų | 63.2 | 60% | 0.595 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -72.9 | -15.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K861 S898 | K861-A863 PolarHBondContact O-N 2.9Å; A863-S898 PolarHBondContact O-OG 3.22Å |
| 864 | T | 62.2 | Low | 67 | Low | 71.75 Ų | 71.75 | 56.1 Ų | 56.1 | 44% | 0.44 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.7 | -177.3 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | E862 A896 Q897 | E862-T864 VanDerWaalsContact C-N 3.27Å; E862-T864 PolarHBondContact O-N 3.15Å; T864-A896 CarbonylContact C-O 3.56Å; T864-A896 VanDerWaalsContact CA-O 3.27Å; T864-A896 WeakPolarHBondContact CA-O 3.43Å; T864-Q897 HydrophobicContact CG2-CB 4.4Å; T864-Q897 HydrophobicContact CG2-CG 4.13Å |
| 865 | F | 69.5 | Low | 69.6 | Low | 10.5 Ų | 10.5 | 53.7 Ų | 53.7 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.6 | 173.1 | 177.3 | -89.4 | 0 | 0 | 0 | 109.1 | S717 L719 P720 D867 L894 V895 A896 | S717-F865 WeakPolarHBondContact OG-CZ 3.38Å; L719-F865 HydrophobicContact CD2-CD1 3.89Å; L719-F865 HydrophobicContact CD2-CE1 3.5Å; L719-F865 VanDerWaalsContact CD2-CE1 3.46Å; L719-F865 HydrophobicContact CD2-CE2 4.33Å; L719-F865 HydrophobicContact CD2-CG 4.36Å; L719-F865 HydrophobicContact CD2-CZ 3.79Å; P720-F865 HydrophobicContact CG-CB 4.29Å; P720-F865 HydrophobicContact CG-CD2 4.06Å; P720-F865 HydrophobicContact CG-CE2 4.45Å; P720-F865 HydrophobicContact CG-CG 4.14Å; F865-D867 HydrophobicContact CE1-CB 4.07Å; F865-D867 HydrophobicContact CE2-CB 4.23Å; F865-D867 WeakPolarHBondContact CE2-OD2 3.45Å; F865-D867 HydrophobicContact CZ-CB 3.86Å; F865-D867 VanDerWaalsContact CZ-CG 3.49Å; F865-D867 WeakPolarHBondContact CZ-OD2 3.34Å; F865-L894 HydrophobicContact CD1-CB 4.32Å; F865-L894 HydrophobicContact CE1-CB 3.77Å; F865-L894 HydrophobicContact CE1-CD1 4.28Å; F865-V895 CarbonylContact O-C 3.54Å; F865-V895 VanDerWaalsContact O-CA 3.28Å; F865-V895 WeakPolarHBondContact O-CA 3.4Å; F865-A896 HydrophobicContact CB-CB 4.07Å; F865-A896 PolarHBondContact N-O 3.08Å; F865-A896 VanDerWaalsContact N-O 3.1Å; F865-A896 PolarHBondContact O-N 3.31Å |
| 866 | H | 76.7 | Confident | 71.7 | Confident | 76.25 Ų | 76.25 | 53.7 Ų | 53.7 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 104.3 | 175.6 | 179.3 | 72.7 | 0 | 0 | 0 | 109.9 | R859 R868 L894 V895 | R859-H866 PolarHBondContact NH2-O 3.19Å; H866-R868 PolarHBondContact NE2-NE 3Å; H866-L894 VanDerWaalsContact CA-O 3.3Å; H866-L894 WeakPolarHBondContact CA-O 3.37Å; H866-V895 VanDerWaalsContact ND1-CG2 3.27Å; H866-V895 WeakPolarHBondContact ND1-CG2 3.28Å |
| 867 | D | 80.6 | Confident | 73.6 | Confident | 14.5 Ų | 14.5 | 50.5 Ų | 50.5 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149.8 | 174.3 | -74.3 | -5.4 | 0 | 0 | 0 | 110.3 | S717 R859 F865 F869 G893 L894 | S717-D867 PolarHBondContact OG-OD2 3.01Å; R859-D867 IonicContact CZ-OD1 3.19Å; R859-D867 IonicContact CZ-OD2 3.08Å; R859-D867 VanDerWaalsContact NH1-CG 3.29Å; R859-D867 IonicContact NH1-OD1 3.39Å; R859-D867 PolarHBondContact NH1-OD1 2.91Å; R859-D867 IonicContact NH1-OD2 3.36Å; R859-D867 PolarHBondContact NH1-OD2 3.13Å; R859-D867 VanDerWaalsContact NH1-OD2 3.11Å; R859-D867 IonicContact NH2-OD1 3.53Å; R859-D867 PolarHBondContact NH2-OD1 3.11Å; R859-D867 IonicContact NH2-OD2 3.45Å; R859-D867 PolarHBondContact NH2-OD2 3.31Å; F865-D867 HydrophobicContact CE1-CB 4.07Å; F865-D867 HydrophobicContact CE2-CB 4.23Å; F865-D867 WeakPolarHBondContact CE2-OD2 3.45Å; F865-D867 HydrophobicContact CZ-CB 3.86Å; F865-D867 VanDerWaalsContact CZ-CG 3.49Å; F865-D867 WeakPolarHBondContact CZ-OD2 3.34Å; D867-F869 HydrophobicContact CB-CD2 4.49Å; D867-F869 HydrophobicContact CB-CE2 3.44Å; D867-F869 VanDerWaalsContact CB-CE2 3.44Å; D867-F869 HydrophobicContact CB-CZ 3.54Å; D867-F869 VanDerWaalsContact CB-CZ 3.49Å; D867-G893 CarbonylContact O-C 3.55Å; D867-G893 WeakPolarHBondContact O-CA 3.35Å; D867-L894 PolarHBondContact N-O 3.34Å; D867-L894 VanDerWaalsContact N-O 3.13Å; D867-L894 PolarHBondContact O-N 3.22Å |
| 868 | R | 85.3 | Confident | 74.8 | Confident | 39.5 Ų | 39.5 | 52.7 Ų | 52.7 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.9 | 178.9 | -67.6 | -178.1 | -123.1 | -180 | 1.8 | 111.1 | E831 H866 L891 V892 | E831-R868 HydrophobicContact CB-CB 4.05Å; E831-R868 VanDerWaalsContact CB-O 3.27Å; E831-R868 WeakPolarHBondContact CB-O 3.44Å; E831-R868 VanDerWaalsContact CD-NE 3.31Å; E831-R868 HydrophobicContact CG-CB 4.34Å; E831-R868 PolarHBondContact N-O 3.06Å; E831-R868 VanDerWaalsContact N-O 3.12Å; E831-R868 VanDerWaalsContact OE1-CD 3.28Å; E831-R868 WeakPolarHBondContact OE1-CD 3.31Å; E831-R868 IonicContact OE1-CZ 3.26Å; E831-R868 IonicContact OE1-NE 2.68Å; E831-R868 PolarHBondContact OE1-NE 3.18Å; E831-R868 IonicContact OE1-NH1 3.49Å; E831-R868 PolarHBondContact OE1-NH1 2.81Å; E831-R868 IonicContact OE1-NH2 3.53Å; E831-R868 PolarHBondContact OE1-NH2 2.93Å; E831-R868 WeakPolarHBondContact OE2-CB 3.36Å; E831-R868 WeakPolarHBondContact OE2-CD 3.39Å; E831-R868 IonicContact OE2-CZ 3.31Å; E831-R868 IonicContact OE2-NE 2.87Å; E831-R868 PolarHBondContact OE2-NE 3.11Å; E831-R868 IonicContact OE2-NH2 3.21Å; E831-R868 PolarHBondContact OE2-NH2 2.88Å; H866-R868 PolarHBondContact NE2-NE 3Å; R868-L891 HydrophobicContact CB-CD1 4.14Å; R868-V892 CarbonylContact C-O 3.56Å; R868-V892 WeakPolarHBondContact CA-O 3.45Å |
| 869 | F | 89.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.9 | -174.3 | -54.1 | -92 | 0 | 0 | 0 | 110.7 | I715 P716 S717 V828 F829 H830 D867 V892 L894 | I715-F869 HydrophobicContact CG2-CB 4.44Å; I715-F869 HydrophobicContact CG2-CD1 3.6Å; I715-F869 HydrophobicContact CG2-CD2 3.64Å; I715-F869 HydrophobicContact CG2-CE1 3.55Å; I715-F869 VanDerWaalsContact CG2-CE1 3.47Å; I715-F869 HydrophobicContact CG2-CE2 3.65Å; I715-F869 HydrophobicContact CG2-CG 3.65Å; I715-F869 HydrophobicContact CG2-CZ 3.61Å; P716-F869 HydrophobicContact CG-CD1 4.06Å; P716-F869 HydrophobicContact CG-CE1 4.05Å; S717-F869 VanDerWaalsContact CB-CZ 3.44Å; V828-F869 HydrophobicContact CG1-CB 3.65Å; V828-F869 HydrophobicContact CG1-CD1 4.28Å; V828-F869 HydrophobicContact CG1-CG 4.25Å; F829-F869 CarbonylContact O-C 3.48Å; F829-F869 VanDerWaalsContact O-CA 3.27Å; F829-F869 WeakPolarHBondContact O-CA 3.29Å; F829-F869 WeakPolarHBondContact O-CB 3.26Å; H830-F869 AromaticContact CD2-CD1 3.97Å; H830-F869 AromaticContact CD2-CE1 3.55Å; D867-F869 HydrophobicContact CB-CD2 4.49Å; D867-F869 HydrophobicContact CB-CE2 3.44Å; D867-F869 VanDerWaalsContact CB-CE2 3.44Å; D867-F869 HydrophobicContact CB-CZ 3.54Å; D867-F869 VanDerWaalsContact CB-CZ 3.49Å; F869-V892 PolarHBondContact N-O 3.04Å; F869-V892 PolarHBondContact O-N 3.12Å; F869-L894 HydrophobicContact CD2-CD1 4.35Å; F869-L894 HydrophobicContact CD2-CG 4.31Å; F869-L894 HydrophobicContact CE2-CB 4.28Å; F869-L894 HydrophobicContact CE2-CD1 3.7Å; F869-L894 HydrophobicContact CE2-CG 4.03Å; F869-L894 HydrophobicContact CZ-CD1 4.33Å |
| 870 | Y | 90.6 | Very high | 76.6 | Confident | 0.5 Ų | 0.5 | 53.9 Ų | 53.9 | 0% | 0.002 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.3 | 171.4 | -68.6 | -77.4 | 0 | 0 | 0 | 110.4 | V828 F829 E831 V834 M835 M889 W890 L891 V939 Y1003 | V828-Y870 CarbonylContact C-O 3.57Å; V828-Y870 WeakPolarHBondContact CA-O 3.33Å; F829-Y870 PolarHBondContact N-O 3.11Å; F829-Y870 PolarHBondContact O-N 2.96Å; E831-Y870 HydrophobicContact CB-CD2 4.49Å; E831-Y870 HydrophobicContact CB-CE2 4.15Å; E831-Y870 HydrophobicContact CG-CE2 3.99Å; V834-Y870 HydrophobicContact CB-CD2 3.69Å; V834-Y870 HydrophobicContact CB-CE2 3.94Å; V834-Y870 HydrophobicContact CG1-CD2 4.01Å; V834-Y870 HydrophobicContact CG1-CE2 4.12Å; V834-Y870 HydrophobicContact CG1-CG 4.49Å; V834-Y870 HydrophobicContact CG2-CD2 3.57Å; V834-Y870 HydrophobicContact CG2-CE2 4.34Å; V834-Y870 HydrophobicContact CG2-CG 4.17Å; M835-Y870 HydrophobicContact CE-CE2 4.17Å; M835-Y870 WeakPolarHBondContact CE-OH 3.04Å; M835-Y870 HydrophobicContact CG-CE2 4.31Å; M835-Y870 HydrophobicContact SD-CE2 4.41Å; Y870-M889 HydrophobicContact CD1-CE 3.52Å; Y870-M889 VanDerWaalsContact CD1-CE 3.49Å; Y870-M889 HydrophobicContact CD1-CG 4.21Å; Y870-M889 HydrophobicContact CD1-SD 4.36Å; Y870-M889 HydrophobicContact CD2-CE 4.19Å; Y870-M889 HydrophobicContact CE1-CE 3.84Å; Y870-M889 HydrophobicContact CG-CE 3.45Å; Y870-M889 VanDerWaalsContact CG-CE 3.43Å; Y870-M889 HydrophobicContact CG-SD 4.35Å; Y870-W890 CarbonylContact C-O 3.58Å; Y870-W890 VanDerWaalsContact CA-O 3.32Å; Y870-W890 WeakPolarHBondContact CA-O 3.39Å; Y870-L891 HydrophobicContact CD1-CB 4.38Å; Y870-L891 HydrophobicContact CD1-CD1 4.13Å; Y870-L891 HydrophobicContact CE1-CB 4.13Å; Y870-L891 HydrophobicContact CE1-CD1 3.7Å; Y870-L891 HydrophobicContact CE1-CG 4.42Å; Y870-L891 HydrophobicContact CE2-CD1 4.35Å; Y870-V939 HydrophobicContact CD1-CG2 4.49Å; Y870-Y1003 HydrophobicContact CE1-CD1 4.49Å; Y870-Y1003 AromaticContact CE1-CE1 3.67Å; Y870-Y1003 HydrophobicContact CE1-CE1 3.67Å; Y870-Y1003 AromaticContact CE1-CZ 3.94Å; Y870-Y1003 AromaticContact CZ-CE1 3.75Å; Y870-Y1003 WeakPolarHBondContact OH-CE1 3.02Å; Y870-Y1003 PolarHBondContact OH-OH 3.12Å; Y870-Y1003 VanDerWaalsContact OH-OH 3.06Å |
| 871 | L | 93.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124 | 168.5 | 169.9 | 66.4 | 0 | 0 | 0 | 108.4 | I736 L743 I813 M826 V828 M889 W890 V892 | I736-L871 HydrophobicContact CD1-CB 4.46Å; I736-L871 HydrophobicContact CD1-CD1 4.33Å; I736-L871 HydrophobicContact CD1-CD2 4.09Å; I736-L871 HydrophobicContact CD1-CG 4.5Å; I736-L871 HydrophobicContact CG2-CD2 4.35Å; L743-L871 HydrophobicContact CD1-CD2 3.61Å; I813-L871 HydrophobicContact CD1-CD2 3.89Å; M826-L871 HydrophobicContact CG-CD1 3.8Å; M826-L871 HydrophobicContact SD-CD1 4.37Å; V828-L871 HydrophobicContact CG2-CB 4.45Å; V828-L871 HydrophobicContact CG2-CD1 3.79Å; L871-M889 CarbonylContact O-C 3.57Å; L871-M889 VanDerWaalsContact O-CA 3.26Å; L871-M889 WeakPolarHBondContact O-CA 3.28Å; L871-W890 HydrophobicContact CB-CB 4.4Å; L871-W890 HydrophobicContact CB-CE3 4.44Å; L871-W890 HydrophobicContact CD2-CD2 4.44Å; L871-W890 HydrophobicContact CD2-CE3 3.93Å; L871-W890 HydrophobicContact CD2-CZ3 4.46Å; L871-W890 HydrophobicContact CG-CE3 3.99Å; L871-W890 HydrophobicContact CG-CZ3 4.49Å; L871-W890 PolarHBondContact N-O 3.08Å; L871-W890 PolarHBondContact O-N 3.08Å; L871-V892 HydrophobicContact CB-CG2 4.19Å |
| 872 | V | 93.5 | Very high | 77.9 | Confident | 1.25 Ų | 1.25 | 50.4 Ų | 50.4 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.5 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | M826 H827 F829 I887 H888 M889 L977 W1005 | M826-V872 WeakPolarHBondContact CA-O 3.37Å; H827-V872 PolarHBondContact N-O 3.01Å; H827-V872 PolarHBondContact O-N 2.95Å; F829-V872 HydrophobicContact CD2-CB 4.34Å; F829-V872 HydrophobicContact CD2-CG2 3.76Å; F829-V872 HydrophobicContact CE2-CB 4.12Å; F829-V872 HydrophobicContact CE2-CG2 3.92Å; V872-I887 HydrophobicContact CG1-CD1 3.69Å; V872-I887 HydrophobicContact CG1-CG1 3.8Å; V872-H888 WeakPolarHBondContact CA-O 3.33Å; V872-M889 HydrophobicContact CG2-CE 4.27Å; V872-M889 HydrophobicContact CG2-CG 4.07Å; V872-M889 HydrophobicContact CG2-SD 4.29Å; V872-L977 HydrophobicContact CG1-CD1 4.37Å; V872-W1005 HydrophobicContact CB-CZ2 4.43Å; V872-W1005 HydrophobicContact CG1-CH2 4.11Å; V872-W1005 HydrophobicContact CG1-CZ2 3.78Å; V872-W1005 HydrophobicContact CG2-CH2 4.29Å; V872-W1005 HydrophobicContact CG2-CZ2 3.77Å |
| 873 | L | 94 | Very high | 78.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130 | -178.8 | -175.9 | 147.1 | 0 | 0 | 0 | 110 | L743 W820 V823 L825 M826 E875 I887 H888 W890 | L743-L873 HydrophobicContact CD1-CD1 4.44Å; W820-L873 HydrophobicContact CZ3-CD1 4.26Å; V823-L873 HydrophobicContact CG1-CD1 3.94Å; V823-L873 HydrophobicContact CG1-CD2 4.17Å; V823-L873 HydrophobicContact CG1-CG 3.74Å; V823-L873 HydrophobicContact CG2-CD1 4.06Å; V823-L873 HydrophobicContact CG2-CD2 4.07Å; V823-L873 HydrophobicContact CG2-CG 4.3Å; L825-L873 CarbonylContact O-C 3.48Å; L825-L873 WeakPolarHBondContact O-CA 3.39Å; M826-L873 HydrophobicContact CG-CD1 4.41Å; M826-L873 HydrophobicContact SD-CD1 4.38Å; L873-E875 HydrophobicContact CD2-CB 4.07Å; L873-I887 CarbonylContact O-C 3.47Å; L873-I887 WeakPolarHBondContact O-CA 3.4Å; L873-H888 HydrophobicContact CB-CB 4.48Å; L873-H888 PolarHBondContact N-O 3.1Å; L873-H888 PolarHBondContact O-N 3.22Å; L873-W890 HydrophobicContact CB-CH2 4.3Å; L873-W890 HydrophobicContact CB-CZ3 3.77Å |
| 874 | L | 93.3 | Very high | 79.8 | Confident | 1.75 Ų | 1.75 | 47.4 Ų | 47.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.5 | 174.1 | -172.7 | 67.4 | 0 | 0 | 0 | 109.7 | V823 Q824 L825 P885 I887 L944 V952 C955 | V823-L874 CarbonylContact C-O 3.54Å; V823-L874 WeakPolarHBondContact CA-O 3.35Å; Q824-L874 HydrophobicContact CB-CB 4.49Å; Q824-L874 HydrophobicContact CB-CD2 4.35Å; Q824-L874 HydrophobicContact CB-CG 4.44Å; Q824-L874 PolarHBondContact N-O 3.13Å; L825-L874 HydrophobicContact CB-CB 4.02Å; L825-L874 PolarHBondContact N-O 3.25Å; L825-L874 PolarHBondContact O-N 2.95Å; L874-P885 HydrophobicContact CD1-CB 4.03Å; L874-P885 HydrophobicContact CD1-CG 4.32Å; L874-P885 HydrophobicContact CG-CB 4.38Å; L874-I887 HydrophobicContact CD1-CB 4.14Å; L874-I887 HydrophobicContact CD1-CG1 4.48Å; L874-L944 HydrophobicContact CD1-CD1 3.71Å; L874-L944 HydrophobicContact CD1-CG 4.3Å; L874-V952 HydrophobicContact CD2-CG1 4.35Å; L874-C955 HydrophobicContact CD2-CB 3.89Å |
| 875 | E | 90.9 | Very high | 81.2 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129 | 178.5 | -170.8 | 179.5 | 178.1 | 0 | 0 | 110.4 | H818 H822 L873 K878 P885 T886 H888 | H818-E875 IonicContact CE1-OE2 3.57Å; H818-E875 IonicContact CG-OE2 3.7Å; H818-E875 IonicContact ND1-OE2 3.27Å; H818-E875 PolarHBondContact ND1-OE2 3.16Å; H818-E875 VanDerWaalsContact ND1-OE2 3.15Å; H822-E875 HydrophobicContact CB-CG 4.02Å; L873-E875 HydrophobicContact CD2-CB 4.07Å; E875-K878 WeakPolarHBondContact OE1-CE 3.48Å; E875-P885 CarbonylContact O-C 3.59Å; E875-P885 WeakPolarHBondContact O-CA 3.36Å; E875-P885 WeakPolarHBondContact O-CB 3.33Å; E875-T886 PolarHBondContact N-O 3.08Å; E875-T886 PolarHBondContact O-N 3.14Å; E875-H888 IonicContact OE2-CD2 3.31Å; E875-H888 IonicContact OE2-CE1 3.29Å; E875-H888 IonicContact OE2-NE2 3.52Å; E875-H888 PolarHBondContact OE2-NE2 3.29Å |
| 876 | K | 86.7 | Confident | 82.2 | Confident | 92.5 Ų | 92.5 | 45.4 Ų | 45.4 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | trans | -67.5 | 141.8 | 171 | -175.4 | -176.1 | -176.6 | -170.3 | 0 | 109.8 | H822 Q824 K878 | H822-K876 HydrophobicContact CB-CB 4.34Å; H822-K876 HydrophobicContact CB-CD 4.29Å; H822-K876 HydrophobicContact CB-CG 3.84Å; H822-K876 WeakPolarHBondContact CD2-CE 3.42Å; H822-K876 PolarHBondContact CD2-NZ 2.79Å; H822-K876 VanDerWaalsContact NE2-CE 3.35Å; H822-K876 WeakPolarHBondContact NE2-CE 3.43Å; H822-K876 PolarHBondContact NE2-NZ 2.99Å; H822-K876 WeakPolarHBondContact O-CB 3.41Å; H822-K876 WeakPolarHBondContact O-CG 3.39Å; H822-K876 PolarHBondContact O-N 3.12Å; Q824-K876 VanDerWaalsContact CD-CE 3.43Å; Q824-K876 HydrophobicContact CG-CB 4.22Å; Q824-K876 HydrophobicContact CG-CD 3.93Å; Q824-K876 HydrophobicContact CG-CG 3.22Å; K876-K878 PolarHBondContact O-N 3.26Å | ||
| 877 | S | 80.8 | Confident | 83 | Confident | 29.25 Ų | 29.25 | 41.8 Ų | 41.8 | 21% | 0.205 | 23% | 0.229 | C | C | . | . | trans | -56.1 | 139.9 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | N879 V882 A883 K884 | S877-N879 VanDerWaalsContact C-N 3.34Å; S877-N879 PolarHBondContact O-N 2.84Å; S877-N879 VanDerWaalsContact OG-C 3.25Å; S877-N879 PolarHBondContact OG-N 2.94Å; S877-N879 VanDerWaalsContact OG-N 3.12Å; S877-N879 PolarHBondContact OG-O 3.11Å; S877-N879 VanDerWaalsContact OG-O 3.12Å; S877-V882 WeakPolarHBondContact CB-O 3.42Å; S877-V882 PolarHBondContact OG-O 3.04Å; S877-A883 WeakPolarHBondContact CB-O 3.35Å; S877-A883 WeakPolarHBondContact OG-CB 3.39Å; S877-A883 PolarHBondContact OG-O 2.9Å; S877-K884 WeakPolarHBondContact CB-O 3.38Å | ||
| 878 | K | 72.9 | Confident | 83.6 | Confident | 149.75 Ų | 149.75 | 42 Ų | 42 | 65% | 0.651 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -69.5 | -33.7 | 173.2 | -64.1 | 177.9 | -177.1 | 173.2 | 0 | 111.8 | E875 K876 | E875-K878 WeakPolarHBondContact OE1-CE 3.48Å; K876-K878 PolarHBondContact O-N 3.26Å |
| 879 | N | 71.7 | Confident | 83.9 | Confident | 98.25 Ų | 98.25 | 40.2 Ų | 40.2 | 53% | 0.525 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -102.2 | 111.1 | -178.9 | -83.2 | -7.5 | 0 | 0 | 0 | 109.3 | S877 S881 V882 A883 | S877-N879 VanDerWaalsContact C-N 3.34Å; S877-N879 PolarHBondContact O-N 2.84Å; S877-N879 VanDerWaalsContact OG-C 3.25Å; S877-N879 PolarHBondContact OG-N 2.94Å; S877-N879 VanDerWaalsContact OG-N 3.12Å; S877-N879 PolarHBondContact OG-O 3.11Å; S877-N879 VanDerWaalsContact OG-O 3.12Å; N879-S881 PolarHBondContact O-N 3.11Å; N879-S881 VanDerWaalsContact O-N 3.15Å; N879-V882 HydrophobicContact CB-CB 4.35Å; N879-V882 HydrophobicContact CB-CG2 4.43Å; N879-V882 CarbonylContact O-C 3.52Å; N879-V882 PolarHBondContact O-N 3.13Å; N879-V882 VanDerWaalsContact O-N 3.14Å; N879-A883 PolarHBondContact O-N 3.4Å |
| 880 | P | 64.1 | Low | 84.1 | Confident | 105.5 Ų | 105.5 | 40.4 Ų | 40.4 | 69% | 0.685 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.5 | -179.6 | 26 | -33.9 | 0 | 0 | 0 | 113.2 | F1109 | P880-F1109 HydrophobicContact CB-CE2 3.95Å; P880-F1109 HydrophobicContact CB-CZ 3.76Å; P880-F1109 HydrophobicContact CG-CE2 3.48Å; P880-F1109 VanDerWaalsContact CG-CE2 3.48Å; P880-F1109 HydrophobicContact CG-CZ 3.48Å; P880-F1109 VanDerWaalsContact CG-CZ 3.48Å |
| 881 | S | 65.6 | Low | 84 | Confident | 98.5 Ų | 98.5 | 41.4 Ų | 41.4 | 69% | 0.689 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -29.4 | 174.6 | 53 | 0 | 0 | 0 | 0 | 113.8 | N879 A883 | N879-S881 PolarHBondContact O-N 3.11Å; N879-S881 VanDerWaalsContact O-N 3.15Å; S881-A883 PolarHBondContact O-N 3.45Å |
| 882 | V | 64 | Low | 83.7 | Confident | 92.25 Ų | 92.25 | 41.4 Ų | 41.4 | 56% | 0.559 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -107.9 | 68.2 | 179.5 | -177 | 0 | 0 | 0 | 0 | 108.3 | S877 N879 K884 | S877-V882 WeakPolarHBondContact CB-O 3.42Å; S877-V882 PolarHBondContact OG-O 3.04Å; N879-V882 HydrophobicContact CB-CB 4.35Å; N879-V882 HydrophobicContact CB-CG2 4.43Å; N879-V882 CarbonylContact O-C 3.52Å; N879-V882 PolarHBondContact O-N 3.13Å; N879-V882 VanDerWaalsContact O-N 3.14Å; V882-K884 PolarHBondContact O-N 3.21Å |
| 883 | A | 69.6 | Low | 83.1 | Confident | 27.75 Ų | 27.75 | 41.6 Ų | 41.6 | 23% | 0.229 | 23% | 0.232 | C | C | . | . | trans | -79.2 | 8.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S877 N879 S881 V950 R951 | S877-A883 WeakPolarHBondContact CB-O 3.35Å; S877-A883 WeakPolarHBondContact OG-CB 3.39Å; S877-A883 PolarHBondContact OG-O 2.9Å; N879-A883 PolarHBondContact O-N 3.4Å; S881-A883 PolarHBondContact O-N 3.45Å; A883-V950 WeakPolarHBondContact CB-O 3.2Å; A883-R951 HydrophobicContact CB-CB 4.32Å; A883-R951 HydrophobicContact CB-CG 3.7Å | ||
| 884 | K | 82.7 | Confident | 82.5 | Confident | 66.75 Ų | 66.75 | 41.7 Ų | 41.7 | 29% | 0.29 | 23% | 0.232 | S | C | . | . | trans | -72.3 | 130 | -175.7 | -60.6 | -169.3 | -179.7 | -162.8 | 0 | 111.6 | S877 V882 S943 L944 D945 L946 | S877-K884 WeakPolarHBondContact CB-O 3.38Å; V882-K884 PolarHBondContact O-N 3.21Å; K884-S943 WeakPolarHBondContact CB-OG 3.39Å; K884-L944 WeakPolarHBondContact CD-O 3.28Å; K884-D945 IonicContact NZ-OD1 3.38Å; K884-D945 PolarHBondContact NZ-OD1 2.96Å; K884-L946 HydrophobicContact CD-CB 4.41Å; K884-L946 VanDerWaalsContact CE-O 3.24Å; K884-L946 WeakPolarHBondContact CE-O 3.34Å; K884-L946 PolarHBondContact NZ-O 3.24Å | ||
| 885 | P | 89.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | trans | -69.9 | 155.6 | 173.2 | 32.5 | -35.6 | 0 | 0 | 0 | 111 | L874 E875 S943 L944 L946 V952 | L874-P885 HydrophobicContact CD1-CB 4.03Å; L874-P885 HydrophobicContact CD1-CG 4.32Å; L874-P885 HydrophobicContact CG-CB 4.38Å; E875-P885 CarbonylContact O-C 3.59Å; E875-P885 WeakPolarHBondContact O-CA 3.36Å; E875-P885 WeakPolarHBondContact O-CB 3.33Å; P885-S943 WeakPolarHBondContact O-CA 3.33Å; P885-S943 PolarHBondContact O-OG 2.92Å; P885-L944 HydrophobicContact CG-CB 4.27Å; P885-L944 HydrophobicContact CG-CD1 4.12Å; P885-L944 HydrophobicContact CG-CG 4.34Å; P885-L944 PolarHBondContact O-N 3.22Å; P885-L946 HydrophobicContact CG-CD1 3.98Å; P885-V952 HydrophobicContact CG-CB 4.42Å; P885-V952 HydrophobicContact CG-CG2 3.85Å | ||
| 886 | T | 91.8 | Very high | 80.6 | Confident | 36.75 Ų | 36.75 | 41.9 Ų | 41.9 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.7 | 179.3 | -36.3 | 0 | 0 | 0 | 0 | 109.8 | E875 Q942 S943 | E875-T886 PolarHBondContact N-O 3.08Å; E875-T886 PolarHBondContact O-N 3.14Å; T886-Q942 CarbonylContact C-O 3.56Å; T886-Q942 WeakPolarHBondContact CA-O 3.34Å; T886-Q942 WeakPolarHBondContact CG2-O 3.36Å; T886-S943 PolarHBondContact OG1-OG 3Å |
| 887 | I | 93.4 | Very high | 79.3 | Confident | 0.75 Ų | 0.75 | 42.5 Ų | 42.5 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.5 | 172.9 | -165.6 | 158.7 | 0 | 0 | 0 | 109.2 | V872 L873 L874 S941 Q942 L944 L977 W1005 | V872-I887 HydrophobicContact CG1-CD1 3.69Å; V872-I887 HydrophobicContact CG1-CG1 3.8Å; L873-I887 CarbonylContact O-C 3.47Å; L873-I887 WeakPolarHBondContact O-CA 3.4Å; L874-I887 HydrophobicContact CD1-CB 4.14Å; L874-I887 HydrophobicContact CD1-CG1 4.48Å; I887-S941 WeakPolarHBondContact O-CA 3.37Å; I887-Q942 HydrophobicContact CG2-CB 4.17Å; I887-Q942 HydrophobicContact CG2-CG 3.47Å; I887-Q942 VanDerWaalsContact CG2-CG 3.42Å; I887-Q942 VanDerWaalsContact CG2-NE2 3.29Å; I887-Q942 WeakPolarHBondContact CG2-O 3.37Å; I887-Q942 PolarHBondContact N-O 3.38Å; I887-Q942 PolarHBondContact O-N 3.09Å; I887-L944 HydrophobicContact CB-CD2 4.16Å; I887-L944 HydrophobicContact CB-CG 4.42Å; I887-L944 HydrophobicContact CD1-CD2 4.46Å; I887-L944 HydrophobicContact CG2-CD2 3.79Å; I887-L944 HydrophobicContact CG2-CG 4.35Å; I887-L977 HydrophobicContact CD1-CD1 3.73Å; I887-W1005 HydrophobicContact CD1-CD2 3.56Å; I887-W1005 HydrophobicContact CD1-CE3 3.85Å; I887-W1005 HydrophobicContact CD1-CG 4.03Å; I887-W1005 HydrophobicContact CD1-CH2 4.17Å; I887-W1005 HydrophobicContact CD1-CZ2 3.91Å; I887-W1005 HydrophobicContact CD1-CZ3 4.14Å; I887-W1005 HydrophobicContact CG1-CD2 4.47Å; I887-W1005 HydrophobicContact CG2-CB 4.2Å; I887-W1005 HydrophobicContact CG2-CD2 4.43Å; I887-W1005 HydrophobicContact CG2-CG 3.88Å |
| 888 | H | 92.9 | Very high | 78 | Confident | 19.75 Ų | 19.75 | 44.3 Ų | 44.3 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.5 | 177.5 | -54.7 | -85.1 | 0 | 0 | 0 | 109 | H818 V872 L873 E875 W890 C940 S941 | H818-H888 AromaticContact CE1-CD2 3.58Å; H818-H888 PolarHBondContact CE1-CD2 3.23Å; H818-H888 VanDerWaalsContact CE1-CD2 3.46Å; H818-H888 AromaticContact CE1-CE1 3.69Å; H818-H888 AromaticContact CE1-CG 3.77Å; H818-H888 AromaticContact CE1-ND1 3.85Å; H818-H888 AromaticContact CE1-NE2 3.51Å; H818-H888 PolarHBondContact CE1-NE2 3.02Å; H818-H888 AromaticContact ND1-CD2 3.91Å; H818-H888 AromaticContact ND1-NE2 3.69Å; V872-H888 WeakPolarHBondContact CA-O 3.33Å; L873-H888 HydrophobicContact CB-CB 4.48Å; L873-H888 PolarHBondContact N-O 3.1Å; L873-H888 PolarHBondContact O-N 3.22Å; E875-H888 IonicContact OE2-CD2 3.31Å; E875-H888 IonicContact OE2-CE1 3.29Å; E875-H888 IonicContact OE2-NE2 3.52Å; E875-H888 PolarHBondContact OE2-NE2 3.29Å; H888-W890 HydrophobicContact CB-CE3 4.47Å; H888-W890 HydrophobicContact CB-CH2 3.29Å; H888-W890 HydrophobicContact CB-CZ2 4.04Å; H888-W890 HydrophobicContact CB-CZ3 3.56Å; H888-C940 CarbonylContact C-O 3.54Å; H888-C940 WeakPolarHBondContact CA-O 3.31Å; H888-S941 PolarHBondContact CE1-OG 3.07Å; H888-S941 VanDerWaalsContact CE1-OG 3.23Å; H888-S941 PolarHBondContact ND1-OG 3.2Å |
| 889 | M | 92.7 | Very high | 76.7 | Confident | 0.25 Ų | 0.25 | 42.6 Ų | 42.6 | 0% | 0.001 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134 | -174.5 | -173.9 | 171.3 | 159.1 | 0 | 0 | 111.2 | V834 Y870 L871 V872 S938 V939 C940 Y1003 W1005 | V834-M889 HydrophobicContact CG1-CE 3.82Å; V834-M889 HydrophobicContact CG2-CE 4.31Å; Y870-M889 HydrophobicContact CD1-CE 3.52Å; Y870-M889 VanDerWaalsContact CD1-CE 3.49Å; Y870-M889 HydrophobicContact CD1-CG 4.21Å; Y870-M889 HydrophobicContact CD1-SD 4.36Å; Y870-M889 HydrophobicContact CD2-CE 4.19Å; Y870-M889 HydrophobicContact CE1-CE 3.84Å; Y870-M889 HydrophobicContact CG-CE 3.45Å; Y870-M889 VanDerWaalsContact CG-CE 3.43Å; Y870-M889 HydrophobicContact CG-SD 4.35Å; L871-M889 CarbonylContact O-C 3.57Å; L871-M889 VanDerWaalsContact O-CA 3.26Å; L871-M889 WeakPolarHBondContact O-CA 3.28Å; V872-M889 HydrophobicContact CG2-CE 4.27Å; V872-M889 HydrophobicContact CG2-CG 4.07Å; V872-M889 HydrophobicContact CG2-SD 4.29Å; M889-S938 CarbonylContact O-C 3.57Å; M889-S938 WeakPolarHBondContact O-CA 3.4Å; M889-S938 PolarHBondContact O-OG 3.49Å; M889-V939 HydrophobicContact CB-CG2 4.06Å; M889-V939 HydrophobicContact CE-CG1 4.32Å; M889-V939 HydrophobicContact CG-CG2 3.84Å; M889-V939 WeakPolarHBondContact O-CA 3.36Å; M889-V939 WeakPolarHBondContact O-CB 3.29Å; M889-V939 VanDerWaalsContact O-CG2 3.29Å; M889-V939 WeakPolarHBondContact O-CG2 3.43Å; M889-V939 PolarHBondContact O-N 3.09Å; M889-V939 HydrophobicContact SD-CG2 4.46Å; M889-C940 HydrophobicContact CB-CB 4.16Å; M889-C940 HydrophobicContact CE-CB 4.08Å; M889-C940 PolarHBondContact N-O 3.2Å; M889-C940 PolarHBondContact O-N 3.26Å; M889-Y1003 HydrophobicContact CE-CD1 3.64Å; M889-Y1003 HydrophobicContact CE-CE1 4.1Å; M889-Y1003 HydrophobicContact CE-CG 3.64Å; M889-Y1003 HydrophobicContact SD-CD1 4.46Å; M889-W1005 HydrophobicContact CE-CZ2 4.24Å; M889-W1005 HydrophobicContact SD-CZ2 4.07Å; M889-W1005 PolarHBondContact SD-NE1 2.85Å; M889-W1005 VanDerWaalsContact SD-NE1 3.44Å |
| 890 | W | 91.5 | Very high | 75.1 | Confident | 5.25 Ų | 5.25 | 42.3 Ų | 42.3 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.6 | 176.6 | -61.1 | -101 | 0 | 0 | 0 | 110.6 | I813 D815 A816 H818 Y870 L871 L873 H888 S938 | I813-W890 HydrophobicContact CG2-CG 4.42Å; D815-W890 PolarHBondContact OD1-NE1 3.02Å; D815-W890 VanDerWaalsContact OD2-CD1 3.26Å; D815-W890 PolarHBondContact OD2-NE1 3.16Å; A816-W890 HydrophobicContact CB-CH2 4.34Å; A816-W890 HydrophobicContact CB-CZ2 3.74Å; H818-W890 AromaticContact CE1-CH2 3.99Å; H818-W890 AromaticContact NE2-CH2 3.32Å; H818-W890 VanDerWaalsContact NE2-CH2 3.3Å; H818-W890 WeakPolarHBondContact NE2-CH2 3.32Å; H818-W890 AromaticContact NE2-CZ2 3.39Å; H818-W890 VanDerWaalsContact NE2-CZ2 3.3Å; H818-W890 WeakPolarHBondContact NE2-CZ2 3.44Å; Y870-W890 CarbonylContact C-O 3.58Å; Y870-W890 VanDerWaalsContact CA-O 3.32Å; Y870-W890 WeakPolarHBondContact CA-O 3.39Å; L871-W890 HydrophobicContact CB-CB 4.4Å; L871-W890 HydrophobicContact CB-CE3 4.44Å; L871-W890 HydrophobicContact CD2-CD2 4.44Å; L871-W890 HydrophobicContact CD2-CE3 3.93Å; L871-W890 HydrophobicContact CD2-CZ3 4.46Å; L871-W890 HydrophobicContact CG-CE3 3.99Å; L871-W890 HydrophobicContact CG-CZ3 4.49Å; L871-W890 PolarHBondContact N-O 3.08Å; L871-W890 PolarHBondContact O-N 3.08Å; L873-W890 HydrophobicContact CB-CH2 4.3Å; L873-W890 HydrophobicContact CB-CZ3 3.77Å; H888-W890 HydrophobicContact CB-CE3 4.47Å; H888-W890 HydrophobicContact CB-CH2 3.29Å; H888-W890 HydrophobicContact CB-CZ2 4.04Å; H888-W890 HydrophobicContact CB-CZ3 3.56Å; W890-S938 VanDerWaalsContact CD1-CA 3.45Å |
| 891 | L | 89.3 | Confident | 73.7 | Confident | 20.25 Ų | 20.25 | 45.1 Ų | 45.1 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.4 | 168.4 | 178.8 | 66.4 | 0 | 0 | 0 | 109 | R868 Y870 A916 V939 | R868-L891 HydrophobicContact CB-CD1 4.14Å; Y870-L891 HydrophobicContact CD1-CB 4.38Å; Y870-L891 HydrophobicContact CD1-CD1 4.13Å; Y870-L891 HydrophobicContact CE1-CB 4.13Å; Y870-L891 HydrophobicContact CE1-CD1 3.7Å; Y870-L891 HydrophobicContact CE1-CG 4.42Å; Y870-L891 HydrophobicContact CE2-CD1 4.35Å; L891-A916 WeakPolarHBondContact O-CA 3.2Å; L891-V939 HydrophobicContact CB-CG1 3.8Å; L891-V939 HydrophobicContact CB-CG2 3.79Å |
| 892 | V | 86.1 | Confident | 72 | Confident | 1.75 Ų | 1.75 | 43.7 Ų | 43.7 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.8 | -179.6 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | I715 I736 I813 R868 F869 L871 L914 | I715-V892 HydrophobicContact CD1-CG1 4.47Å; I736-V892 HydrophobicContact CD1-CG2 4.31Å; I813-V892 HydrophobicContact CD1-CG2 4.25Å; R868-V892 CarbonylContact C-O 3.56Å; R868-V892 WeakPolarHBondContact CA-O 3.45Å; F869-V892 PolarHBondContact N-O 3.04Å; F869-V892 PolarHBondContact O-N 3.12Å; L871-V892 HydrophobicContact CB-CG2 4.19Å; V892-L914 HydrophobicContact CG1-CD2 3.62Å |
| 893 | G | 82.7 | Confident | 70.4 | Confident | 5.5 Ų | 5.5 | 45.5 Ų | 45.5 | 6% | 0.057 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D867 L914 F915 | D867-G893 CarbonylContact O-C 3.55Å; D867-G893 WeakPolarHBondContact O-CA 3.35Å; G893-L914 WeakPolarHBondContact O-CA 3.39Å; G893-F915 PolarHBondContact N-O 3.22Å; G893-F915 VanDerWaalsContact N-O 3.11Å; G893-F915 PolarHBondContact O-N 3Å |
| 894 | L | 80.9 | Confident | 68.7 | Low | 1.5 Ų | 1.5 | 49.2 Ų | 49.2 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.2 | 169.6 | -71.9 | 178 | 0 | 0 | 0 | 109.2 | I715 L719 C734 F865 H866 D867 F869 I912 L914 | I715-L894 HydrophobicContact CB-CD1 4.47Å; I715-L894 HydrophobicContact CD1-CD1 4.16Å; I715-L894 HydrophobicContact CD1-CD2 4.34Å; I715-L894 HydrophobicContact CD1-CG 4.3Å; I715-L894 HydrophobicContact CG2-CD1 3.79Å; L719-L894 HydrophobicContact CD2-CD1 4.35Å; C734-L894 HydrophobicContact CB-CD1 4.24Å; C734-L894 HydrophobicContact CB-CD2 4.39Å; F865-L894 HydrophobicContact CD1-CB 4.32Å; F865-L894 HydrophobicContact CE1-CB 3.77Å; F865-L894 HydrophobicContact CE1-CD1 4.28Å; H866-L894 VanDerWaalsContact CA-O 3.3Å; H866-L894 WeakPolarHBondContact CA-O 3.37Å; D867-L894 PolarHBondContact N-O 3.34Å; D867-L894 VanDerWaalsContact N-O 3.13Å; D867-L894 PolarHBondContact O-N 3.22Å; F869-L894 HydrophobicContact CD2-CD1 4.35Å; F869-L894 HydrophobicContact CD2-CG 4.31Å; F869-L894 HydrophobicContact CE2-CB 4.28Å; F869-L894 HydrophobicContact CE2-CD1 3.7Å; F869-L894 HydrophobicContact CE2-CG 4.03Å; F869-L894 HydrophobicContact CZ-CD1 4.33Å; L894-I912 HydrophobicContact CD2-CG2 3.98Å; L894-L914 HydrophobicContact CD2-CD1 4.14Å; L894-L914 HydrophobicContact CD2-CD2 3.54Å; L894-L914 HydrophobicContact CD2-CG 3.95Å; L894-L914 HydrophobicContact CG-CD2 4.21Å |
| 895 | V | 74.6 | Confident | 66.1 | Low | 15.75 Ų | 15.75 | 54.7 Ų | 54.7 | 10% | 0.095 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.2 | 179.9 | -166.3 | 0 | 0 | 0 | 0 | 110.6 | F865 H866 Q897 I912 L913 F915 | F865-V895 CarbonylContact O-C 3.54Å; F865-V895 VanDerWaalsContact O-CA 3.28Å; F865-V895 WeakPolarHBondContact O-CA 3.4Å; H866-V895 VanDerWaalsContact ND1-CG2 3.27Å; H866-V895 WeakPolarHBondContact ND1-CG2 3.28Å; V895-Q897 HydrophobicContact CG1-CG 4.21Å; V895-I912 CarbonylContact O-C 3.53Å; V895-I912 VanDerWaalsContact O-CA 3.27Å; V895-I912 WeakPolarHBondContact O-CA 3.3Å; V895-L913 WeakPolarHBondContact CB-O 3.24Å; V895-L913 PolarHBondContact N-O 3.06Å; V895-L913 VanDerWaalsContact N-O 3.13Å; V895-L913 PolarHBondContact O-N 3.31Å; V895-F915 HydrophobicContact CG2-CD2 4.17Å; V895-F915 HydrophobicContact CG2-CE2 4.44Å |
| 896 | A | 69 | Low | 63.1 | Low | 9.25 Ų | 9.25 | 64.7 Ų | 64.7 | 8% | 0.076 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | T723 T864 F865 I912 | T723-A896 HydrophobicContact CG2-CB 3.53Å; T723-A896 VanDerWaalsContact CG2-CB 3.43Å; T864-A896 CarbonylContact C-O 3.56Å; T864-A896 VanDerWaalsContact CA-O 3.27Å; T864-A896 WeakPolarHBondContact CA-O 3.43Å; F865-A896 HydrophobicContact CB-CB 4.07Å; F865-A896 PolarHBondContact N-O 3.08Å; F865-A896 VanDerWaalsContact N-O 3.1Å; F865-A896 PolarHBondContact O-N 3.31Å; A896-I912 HydrophobicContact CB-CG1 4.25Å |
| 897 | Q | 60.5 | Low | 60.1 | Low | 104.25 Ų | 104.25 | 68.1 Ų | 68.1 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.6 | 177.8 | -71.4 | -179.2 | -8.7 | 0 | 0 | 110.6 | T864 V895 N899 | T864-Q897 HydrophobicContact CG2-CB 4.4Å; T864-Q897 HydrophobicContact CG2-CG 4.13Å; V895-Q897 HydrophobicContact CG1-CG 4.21Å; Q897-N899 PolarHBondContact O-N 3.38Å |
| 898 | S | 52.7 | Low | 57.2 | Low | 67.25 Ų | 67.25 | 70.5 Ų | 70.5 | 47% | 0.47 | 40% | 0.397 | S | S | . | . | trans | -95.1 | 84.9 | 170 | 87.8 | 0 | 0 | 0 | 0 | 110.3 | A863 C900 | A863-S898 PolarHBondContact O-OG 3.22Å; S898-C900 VanDerWaalsContact C-N 3.32Å; S898-C900 PolarHBondContact O-N 3.27Å; S898-C900 VanDerWaalsContact O-N 3.1Å; S898-C900 PolarHBondContact OG-SG 3.46Å; S898-C900 VanDerWaalsContact OG-SG 3.39Å | ||
| 899 | N | 45.4 | Very low | 54.4 | Low | 113.75 Ų | 113.75 | 75 Ų | 75 | 61% | 0.608 | 42% | 0.42 | S | S | * | . | trans | -72.6 | 103 | 171.9 | -88.7 | -1.5 | 0 | 0 | 0 | 110.3 | Q897 R910 | Q897-N899 PolarHBondContact O-N 3.38Å; N899-R910 VanDerWaalsContact O-CZ 3.26Å; N899-R910 PolarHBondContact O-NH2 3.42Å | ||
| 900 | C | 38.4 | Very low | 51.8 | Low | 92.25 Ų | 92.25 | 82 Ų | 82 | 62% | 0.623 | 45% | 0.447 | S | S | * | . | trans | -94.3 | 72.8 | 156.5 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | S898 S902 R910 | S898-C900 VanDerWaalsContact C-N 3.32Å; S898-C900 PolarHBondContact O-N 3.27Å; S898-C900 VanDerWaalsContact O-N 3.1Å; S898-C900 PolarHBondContact OG-SG 3.46Å; S898-C900 VanDerWaalsContact OG-SG 3.39Å; C900-S902 VanDerWaalsContact C-N 3.3Å; C900-S902 PolarHBondContact O-N 2.92Å; C900-S902 VanDerWaalsContact O-N 3.14Å; C900-R910 PolarHBondContact SG-NH2 2.94Å | ||
| 901 | D | 33.6 | Very low | 49.5 | Very low | 163.75 Ų | 163.75 | 83.2 Ų | 83.2 | 88% | 0.876 | 46% | 0.46 | S | S | * | . | trans | -176.2 | 29.8 | -176.1 | -60.3 | -15.1 | 0 | 0 | 0 | 117.3 | ||||
| 902 | S | 29.9 | Very low | 47.4 | Very low | 70 Ų | 70 | 82.7 Ų | 82.7 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | trans | -133.4 | 125.1 | 158.9 | 110.9 | 0 | 0 | 0 | 0 | 112 | C900 V904 | C900-S902 VanDerWaalsContact C-N 3.3Å; C900-S902 PolarHBondContact O-N 2.92Å; C900-S902 VanDerWaalsContact O-N 3.14Å; S902-V904 VanDerWaalsContact C-N 3.27Å; S902-V904 CarbonylContact C-O 3.52Å; S902-V904 CarbonylContact O-C 3.52Å; S902-V904 PolarHBondContact O-N 3.13Å; S902-V904 VanDerWaalsContact O-N 3.15Å; S902-V904 PolarHBondContact OG-N 3.32Å; S902-V904 PolarHBondContact OG-O 2.91Å; S902-V904 VanDerWaalsContact OG-O 3.09Å | ||
| 903 | P | 32.1 | Very low | 45.3 | Very low | 130 Ų | 130 | 85.9 Ų | 85.9 | 84% | 0.844 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -75.8 | -3 | 178.3 | 30.9 | -34.1 | 0 | 0 | 0 | 113.3 | F905 | P903-F905 PolarHBondContact O-N 3Š|
| 904 | V | 32.5 | Very low | 43.4 | Very low | 105.75 Ų | 105.75 | 86.5 Ų | 86.5 | 64% | 0.641 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -93.7 | 95.2 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | S902 R906 | S902-V904 VanDerWaalsContact C-N 3.27Å; S902-V904 CarbonylContact C-O 3.52Å; S902-V904 CarbonylContact O-C 3.52Å; S902-V904 PolarHBondContact O-N 3.13Å; S902-V904 VanDerWaalsContact O-N 3.15Å; S902-V904 PolarHBondContact OG-N 3.32Å; S902-V904 PolarHBondContact OG-O 2.91Å; S902-V904 VanDerWaalsContact OG-O 3.09Å; V904-R906 VanDerWaalsContact C-N 3.26Å; V904-R906 HydrophobicContact CG1-CG 4.33Å; V904-R906 PolarHBondContact O-N 3.24Å; V904-R906 VanDerWaalsContact O-N 3.07Å |
| 905 | F | 28.1 | Very low | 41.6 | Very low | 181.25 Ų | 181.25 | 91.2 Ų | 91.2 | 80% | 0.795 | 50% | 0.497 | S | S | * | . | trans | -76.3 | 103.7 | 168.5 | -94.6 | -91.4 | 0 | 0 | 0 | 110.7 | P903 P907 | P903-F905 PolarHBondContact O-N 3Å; F905-P907 VanDerWaalsContact O-CD 3.24Å; F905-P907 WeakPolarHBondContact O-CD 3.48Å | ||
| 906 | R | 27.8 | Very low | 39.7 | Very low | 212.75 Ų | 212.75 | 91.7 Ų | 91.7 | 80% | 0.803 | 50% | 0.503 | S | S | * | . | trans | -85.2 | 121 | 165.5 | -75.9 | -174.3 | 177.3 | 170.1 | 0.2 | 108.2 | V904 G908 | V904-R906 VanDerWaalsContact C-N 3.26Å; V904-R906 HydrophobicContact CG1-CG 4.33Å; V904-R906 PolarHBondContact O-N 3.24Å; V904-R906 VanDerWaalsContact O-N 3.07Å; R906-G908 PolarHBondContact O-N 3.26Å | ||
| 907 | P | 28.2 | Very low | 38 | Very low | 110 Ų | 110 | 97.1 Ų | 97.1 | 71% | 0.714 | 52% | 0.524 | S | S | * | . | trans | -72.1 | 85.6 | 177.2 | 30.2 | -32.7 | 0 | 0 | 0 | 109.1 | F905 I909 | F905-P907 VanDerWaalsContact O-CD 3.24Å; F905-P907 WeakPolarHBondContact O-CD 3.48Å; P907-I909 PolarHBondContact O-N 3.25Å | ||
| 908 | G | 31.7 | Very low | 36.5 | Very low | 49.75 Ų | 49.75 | 96.8 Ų | 96.8 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | trans | -134 | 100.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R906 R910 | R906-G908 PolarHBondContact O-N 3.26Å; G908-R910 PolarHBondContact O-N 3.02Å; G908-R910 VanDerWaalsContact O-N 3.12Å | ||
| 909 | I | 35.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 97.5 Ų | 97.5 | 59% | 0.59 | 52% | 0.52 | S | S | * | . | trans | 27.6 | 93 | 161.1 | -51.4 | 167 | 0 | 0 | 0 | 112.3 | P907 G911 L913 | P907-I909 PolarHBondContact O-N 3.25Å; I909-G911 PolarHBondContact O-N 3.11Å; I909-G911 VanDerWaalsContact O-N 3.14Å; I909-L913 HydrophobicContact CG2-CD2 4.15Å; I909-L913 HydrophobicContact CG2-CG 4.45Å | ||
| 910 | R | 37.5 | Very low | 34.8 | Very low | 147.5 Ų | 147.5 | 101.6 Ų | 101.6 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | trans | -81.4 | 87.7 | 152.8 | -83.8 | -175.8 | 171.9 | -178.8 | -3.1 | 108.1 | V791 N899 C900 G908 L913 | V791-R910 WeakPolarHBondContact CG1-O 3.28Å; V791-R910 HydrophobicContact CG2-CB 4.12Å; N899-R910 VanDerWaalsContact O-CZ 3.26Å; N899-R910 PolarHBondContact O-NH2 3.42Å; C900-R910 PolarHBondContact SG-NH2 2.94Å; G908-R910 PolarHBondContact O-N 3.02Å; G908-R910 VanDerWaalsContact O-N 3.12Å; R910-L913 HydrophobicContact CB-CD1 4.38Å | ||
| 911 | G | 42.8 | Very low | 34.4 | Very low | 29.25 Ų | 29.25 | 101.3 Ų | 101.3 | 30% | 0.302 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -120.7 | 166.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I909 L913 | I909-G911 PolarHBondContact O-N 3.11Å; I909-G911 VanDerWaalsContact O-N 3.14Å; G911-L913 PolarHBondContact O-N 3.14Å; G911-L913 VanDerWaalsContact O-N 3.11Å |
| 912 | I | 44.7 | Very low | 34 | Very low | 10.25 Ų | 10.25 | 104.1 Ų | 104.1 | 5% | 0.053 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 114.5 | 173.3 | -63.8 | 166.2 | 0 | 0 | 0 | 108.4 | L719 T723 Q747 L810 L894 V895 A896 L914 | L719-I912 HydrophobicContact CD1-CD1 3.43Å; L719-I912 VanDerWaalsContact CD1-CD1 3.43Å; L719-I912 HydrophobicContact CD2-CD1 3.82Å; L719-I912 HydrophobicContact CG-CD1 4.17Å; T723-I912 HydrophobicContact CG2-CD1 4.35Å; T723-I912 HydrophobicContact CG2-CG1 4.29Å; Q747-I912 HydrophobicContact CG-CD1 4.44Å; L810-I912 HydrophobicContact CD1-CB 4.37Å; L810-I912 HydrophobicContact CD1-CD1 4.37Å; L810-I912 HydrophobicContact CD1-CG2 4.48Å; L894-I912 HydrophobicContact CD2-CG2 3.98Å; V895-I912 CarbonylContact O-C 3.53Å; V895-I912 VanDerWaalsContact O-CA 3.27Å; V895-I912 WeakPolarHBondContact O-CA 3.3Å; A896-I912 HydrophobicContact CB-CG1 4.25Å; I912-L914 HydrophobicContact CG2-CD1 4.19Å; I912-L914 HydrophobicContact CG2-CG 4.34Å; I912-L914 PolarHBondContact O-N 3.07Å |
| 913 | L | 42.6 | Very low | 33.9 | Very low | 68.5 Ų | 68.5 | 104.2 Ų | 104.2 | 36% | 0.359 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 114.3 | 172.3 | -86.5 | 162.2 | 0 | 0 | 0 | 107.5 | V895 I909 R910 G911 F915 | V895-L913 WeakPolarHBondContact CB-O 3.24Å; V895-L913 PolarHBondContact N-O 3.06Å; V895-L913 VanDerWaalsContact N-O 3.13Å; V895-L913 PolarHBondContact O-N 3.31Å; I909-L913 HydrophobicContact CG2-CD2 4.15Å; I909-L913 HydrophobicContact CG2-CG 4.45Å; R910-L913 HydrophobicContact CB-CD1 4.38Å; G911-L913 PolarHBondContact O-N 3.14Å; G911-L913 VanDerWaalsContact O-N 3.11Å; L913-F915 HydrophobicContact CB-CD2 4.3Å; L913-F915 HydrophobicContact CB-CE2 4Å; L913-F915 HydrophobicContact CB-CZ 4.31Å; L913-F915 HydrophobicContact CD1-CE2 4.35Å; L913-F915 HydrophobicContact CD1-CZ 4.47Å; L913-F915 HydrophobicContact CD2-CE1 4.42Å; L913-F915 HydrophobicContact CD2-CE2 4.37Å; L913-F915 HydrophobicContact CD2-CZ 4.13Å; L913-F915 HydrophobicContact CG-CE2 4.39Å |
| 914 | L | 42.6 | Very low | 33.6 | Very low | 19.25 Ų | 19.25 | 108 Ų | 108 | 10% | 0.101 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.8 | 173.2 | -88.5 | 142.7 | 0 | 0 | 0 | 109.2 | V745 L810 D811 V892 G893 L894 I912 A916 | V745-L914 HydrophobicContact CB-CD1 3.69Å; V745-L914 HydrophobicContact CB-CD2 4.34Å; V745-L914 HydrophobicContact CG1-CD1 3.75Å; V745-L914 HydrophobicContact CG1-CD2 4.21Å; V745-L914 HydrophobicContact CG1-CG 4.49Å; V745-L914 HydrophobicContact CG2-CD1 4.01Å; V745-L914 HydrophobicContact CG2-CD2 4Å; V745-L914 HydrophobicContact CG2-CG 4.44Å; L810-L914 HydrophobicContact CB-CD1 3.73Å; L810-L914 VanDerWaalsContact CB-CD1 3.43Å; L810-L914 HydrophobicContact CD1-CD1 3.62Å; L810-L914 VanDerWaalsContact CD1-CD1 3.42Å; L810-L914 HydrophobicContact CG-CD1 4.22Å; D811-L914 HydrophobicContact CB-CB 4.16Å; D811-L914 HydrophobicContact CB-CD1 4.25Å; V892-L914 HydrophobicContact CG1-CD2 3.62Å; G893-L914 WeakPolarHBondContact O-CA 3.39Å; L894-L914 HydrophobicContact CD2-CD1 4.14Å; L894-L914 HydrophobicContact CD2-CD2 3.54Å; L894-L914 HydrophobicContact CD2-CG 3.95Å; L894-L914 HydrophobicContact CG-CD2 4.21Å; I912-L914 HydrophobicContact CG2-CD1 4.19Å; I912-L914 HydrophobicContact CG2-CG 4.34Å; I912-L914 PolarHBondContact O-N 3.07Å; L914-A916 PolarHBondContact O-N 2.86Å |
| 915 | F | 44 | Very low | 33.2 | Very low | 99.5 Ų | 99.5 | 113.4 Ų | 113.4 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 109.1 | 167 | -65.8 | -76.8 | 0 | 0 | 0 | 108.7 | G893 V895 L913 K917 | G893-F915 PolarHBondContact N-O 3.22Å; G893-F915 VanDerWaalsContact N-O 3.11Å; G893-F915 PolarHBondContact O-N 3Å; V895-F915 HydrophobicContact CG2-CD2 4.17Å; V895-F915 HydrophobicContact CG2-CE2 4.44Å; L913-F915 HydrophobicContact CB-CD2 4.3Å; L913-F915 HydrophobicContact CB-CE2 4Å; L913-F915 HydrophobicContact CB-CZ 4.31Å; L913-F915 HydrophobicContact CD1-CE2 4.35Å; L913-F915 HydrophobicContact CD1-CZ 4.47Å; L913-F915 HydrophobicContact CD2-CE1 4.42Å; L913-F915 HydrophobicContact CD2-CE2 4.37Å; L913-F915 HydrophobicContact CD2-CZ 4.13Å; L913-F915 HydrophobicContact CG-CE2 4.39Å; F915-K917 VanDerWaalsContact C-N 3.26Å; F915-K917 HydrophobicContact CB-CB 4.28Å; F915-K917 HydrophobicContact CB-CG 4.32Å; F915-K917 HydrophobicContact CD1-CD 4.09Å; F915-K917 HydrophobicContact CD1-CG 4.03Å; F915-K917 HydrophobicContact CE1-CD 4.33Å; F915-K917 PolarHBondContact O-N 3.44Å |
| 916 | A | 35.2 | Very low | 33.1 | Very low | 27.25 Ų | 27.25 | 110 Ų | 110 | 23% | 0.225 | 53% | 0.528 | C | S | . | . | trans | -88.6 | 50.8 | 156 | 0 | 0 | 0 | 0 | 0 | 108.6 | I813 L891 L914 G936 S937 | I813-A916 HydrophobicContact CG1-CB 4.37Å; L891-A916 WeakPolarHBondContact O-CA 3.2Å; L914-A916 PolarHBondContact O-N 2.86Å; A916-G936 WeakPolarHBondContact O-CA 3.29Å; A916-G936 PolarHBondContact O-N 3.38Å; A916-G936 VanDerWaalsContact O-N 3.14Å; A916-S937 PolarHBondContact O-N 2.78Å | ||
| 917 | K | 33 | Very low | 33 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | trans | -111.3 | 142.3 | 179.2 | -104.1 | -174.7 | 176.9 | -178.9 | 0 | 110.2 | F915 I919 G934 | F915-K917 VanDerWaalsContact C-N 3.26Å; F915-K917 HydrophobicContact CB-CB 4.28Å; F915-K917 HydrophobicContact CB-CG 4.32Å; F915-K917 HydrophobicContact CD1-CD 4.09Å; F915-K917 HydrophobicContact CD1-CG 4.03Å; F915-K917 HydrophobicContact CE1-CD 4.33Å; F915-K917 PolarHBondContact O-N 3.44Å; K917-I919 VanDerWaalsContact C-N 3.25Å; K917-I919 PolarHBondContact O-N 3.25Å; K917-I919 VanDerWaalsContact O-N 3.12Å; K917-G934 WeakPolarHBondContact CE-O 3.47Å; K917-G934 PolarHBondContact NZ-O 3.39Å | ||
| 918 | H | 29.2 | Very low | 32.9 | Very low | 98.25 Ų | 98.25 | 106.7 Ų | 106.7 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | trans | -55.3 | 96.7 | 162.5 | -118 | -75.3 | 0 | 0 | 0 | 109.2 | R920 S937 | H918-R920 VanDerWaalsContact C-N 3.33Å; H918-R920 PolarHBondContact O-N 3.12Å; H918-R920 VanDerWaalsContact O-N 3.08Å; H918-S937 PolarHBondContact CD2-OG 3.36Å; H918-S937 PolarHBondContact NE2-O 3.02Å; H918-S937 PolarHBondContact NE2-OG 3.46Å | ||
| 919 | I | 31.1 | Very low | 32.6 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | trans | -71.9 | 94.9 | 163.3 | -62.2 | 174.3 | 0 | 0 | 0 | 105.4 | K917 H921 | K917-I919 VanDerWaalsContact C-N 3.25Å; K917-I919 PolarHBondContact O-N 3.25Å; K917-I919 VanDerWaalsContact O-N 3.12Å; I919-H921 PolarHBondContact O-N 3.06Å | ||
| 920 | R | 29.9 | Very low | 32.1 | Very low | 201.25 Ų | 201.25 | 111.7 Ų | 111.7 | 76% | 0.759 | 56% | 0.555 | S | S | * | * | trans | -54.3 | 123.6 | 154.2 | -71.6 | -178 | 178.3 | 170 | -0.8 | 105.3 | H918 R922 | H918-R920 VanDerWaalsContact C-N 3.33Å; H918-R920 PolarHBondContact O-N 3.12Å; H918-R920 VanDerWaalsContact O-N 3.08Å; R920-R922 PolarHBondContact O-N 3.06Å | ||
| 921 | H | 30.2 | Very low | 31.5 | Very low | 85.5 Ų | 85.5 | 112.5 Ų | 112.5 | 40% | 0.396 | 57% | 0.57 | S | S | . | * | trans | -66.3 | 58.2 | -176.7 | -116.2 | -95.1 | 0 | 0 | 0 | 111.5 | S846 I919 A923 S999 L1001 | S846-H921 PolarHBondContact OG-CE1 2.89Å; I919-H921 PolarHBondContact O-N 3.06Å; H921-A923 PolarHBondContact O-N 2.8Å; H921-S999 CarbonylContact C-O 3.57Å; H921-S999 WeakPolarHBondContact CB-O 3.44Å; H921-L1001 HydrophobicContact CB-CG 4.11Å; H921-L1001 VanDerWaalsContact CD2-CD1 3.43Å; H921-L1001 WeakPolarHBondContact CD2-CD1 3.47Å; H921-L1001 VanDerWaalsContact CE1-CD1 3.42Å; H921-L1001 WeakPolarHBondContact CE1-CD1 3.41Å; H921-L1001 VanDerWaalsContact NE2-CD1 3.3Å; H921-L1001 WeakPolarHBondContact NE2-CD1 3.2Å | ||
| 922 | R | 25.8 | Very low | 30.7 | Very low | 222.25 Ų | 222.25 | 116.1 Ų | 116.1 | 84% | 0.839 | 59% | 0.586 | S | S | * | * | trans | -91.2 | 109.3 | 173.8 | -146.3 | 172.8 | -172.1 | 162 | 2 | 107.1 | R920 Y924 | R920-R922 PolarHBondContact O-N 3.06Å; R922-Y924 PolarHBondContact O-N 2.89Å | ||
| 923 | A | 27.6 | Very low | 29.7 | Very low | 72.75 Ų | 72.75 | 122.5 Ų | 122.5 | 60% | 0.601 | 63% | 0.626 | S | S | * | * | trans | -48.1 | 129.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V844 H921 Y925 | V844-A923 HydrophobicContact CG1-CB 3.95Å; H921-A923 PolarHBondContact O-N 2.8Å; A923-Y925 PolarHBondContact O-N 2.98Å | ||
| 924 | Y | 24.8 | Very low | 28.8 | Very low | 209.25 Ų | 209.25 | 122.4 Ų | 122.4 | 82% | 0.821 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -59.8 | 104.9 | 177.1 | -85.1 | -100.1 | 0 | 0 | 0 | 112 | R922 S926 | R922-Y924 PolarHBondContact O-N 2.89Å; Y924-S926 PolarHBondContact O-N 2.92Å; Y924-S926 VanDerWaalsContact O-N 3.08Å |
| 925 | Y | 26.1 | Very low | 28.2 | Very low | 219.75 Ų | 219.75 | 124.1 Ų | 124.1 | 86% | 0.862 | 66% | 0.663 | S | S | * | * | trans | -121 | 106.3 | 155.3 | -78.7 | -78.5 | 0 | 0 | 0 | 108.8 | A923 G927 | A923-Y925 PolarHBondContact O-N 2.98Å; Y925-G927 PolarHBondContact O-N 3.2Å | ||
| 926 | S | 25.5 | Very low | 28 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -99.8 | 115.9 | 161.7 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | Y924 E928 | Y924-S926 PolarHBondContact O-N 2.92Å; Y924-S926 VanDerWaalsContact O-N 3.08Å; S926-E928 VanDerWaalsContact C-N 3.31Å; S926-E928 PolarHBondContact O-N 3.07Å; S926-E928 VanDerWaalsContact O-N 3.14Å | ||
| 927 | G | 25.9 | Very low | 29.1 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 81% | 0.814 | 66% | 0.659 | S | S | * | * | trans | -115.1 | 86.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y925 T929 | Y925-G927 PolarHBondContact O-N 3.2Å; G927-T929 PolarHBondContact O-N 2.97Å | ||
| 928 | E | 25 | Very low | 31 | Very low | 176 Ų | 176 | 117.9 Ų | 117.9 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | trans | -81.2 | 125.3 | 176.4 | -82.3 | 171.2 | 150 | 0 | 0 | 110.6 | S926 D930 | S926-E928 VanDerWaalsContact C-N 3.31Å; S926-E928 PolarHBondContact O-N 3.07Å; S926-E928 VanDerWaalsContact O-N 3.14Å; E928-D930 VanDerWaalsContact C-N 3.3Å; E928-D930 PolarHBondContact O-N 2.94Å; E928-D930 VanDerWaalsContact O-N 3.12Å | ||
| 929 | T | 26.3 | Very low | 33.6 | Very low | 134 Ų | 134 | 114.6 Ų | 114.6 | 82% | 0.822 | 64% | 0.635 | S | S | * | * | trans | -83.6 | 96.1 | 166.6 | 49 | 0 | 0 | 0 | 0 | 111 | G927 D931 | G927-T929 PolarHBondContact O-N 2.97Å; T929-D931 PolarHBondContact O-N 3.48Å | ||
| 930 | D | 24.7 | Very low | 36.2 | Very low | 135.75 Ų | 135.75 | 111.3 Ų | 111.3 | 73% | 0.726 | 62% | 0.62 | S | S | * | * | trans | -76.7 | 121.3 | 148.3 | -108.8 | -15.2 | 0 | 0 | 0 | 113.1 | E928 T932 | E928-D930 VanDerWaalsContact C-N 3.3Å; E928-D930 PolarHBondContact O-N 2.94Å; E928-D930 VanDerWaalsContact O-N 3.12Å; D930-T932 PolarHBondContact O-N 2.95Å | ||
| 931 | D | 25.5 | Very low | 39 | Very low | 163.5 Ų | 163.5 | 105 Ų | 105 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -71.3 | 63 | 177.3 | -117.3 | -9.8 | 0 | 0 | 0 | 111.9 | T929 T933 | T929-D931 PolarHBondContact O-N 3.48Å; D931-T933 PolarHBondContact O-N 2.99Å; D931-T933 VanDerWaalsContact O-N 3.08Å | ||
| 932 | T | 24.2 | Very low | 41.9 | Very low | 104.75 Ų | 104.75 | 102.7 Ų | 102.7 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | trans | -115.2 | 111.2 | 173.3 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | D930 G934 | D930-T932 PolarHBondContact O-N 2.95Å; T932-G934 PolarHBondContact O-N 3.26Å | ||
| 933 | T | 25.4 | Very low | 45 | Very low | 145.25 Ų | 145.25 | 94.8 Ų | 94.8 | 89% | 0.891 | 58% | 0.575 | S | S | * | * | trans | -11.4 | 93.1 | 162.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | D931 G935 | D931-T933 PolarHBondContact O-N 2.99Å; D931-T933 VanDerWaalsContact O-N 3.08Å; T933-G935 PolarHBondContact O-N 2.95Å | ||
| 934 | G | 23.7 | Very low | 48 | Very low | 67 Ų | 67 | 91.5 Ų | 91.5 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | trans | -81.4 | 126.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K917 T932 | K917-G934 WeakPolarHBondContact CE-O 3.47Å; K917-G934 PolarHBondContact NZ-O 3.39Å; T932-G934 PolarHBondContact O-N 3.26Å | ||
| 935 | G | 28.3 | Very low | 51 | Low | 53.5 Ų | 53.5 | 86.7 Ų | 86.7 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | trans | -91.1 | 135.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T933 S937 | T933-G935 PolarHBondContact O-N 2.95Å; G935-S937 PolarHBondContact O-N 3.12Å | ||
| 936 | G | 40.2 | Very low | 54 | Low | 14.75 Ų | 14.75 | 76.5 Ų | 76.5 | 15% | 0.152 | 50% | 0.495 | C | S | . | . | trans | -53.3 | 145.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | D815 A916 | D815-G936 VanDerWaalsContact CB-O 3.24Å; D815-G936 WeakPolarHBondContact CB-O 3.41Å; D815-G936 VanDerWaalsContact CG-O 3.25Å; D815-G936 VanDerWaalsContact OD1-O 3.1Å; A916-G936 WeakPolarHBondContact O-CA 3.29Å; A916-G936 PolarHBondContact O-N 3.38Å; A916-G936 VanDerWaalsContact O-N 3.14Å | ||
| 937 | S | 59.1 | Low | 56.9 | Low | 60.5 Ų | 60.5 | 74.4 Ų | 74.4 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | trans | -115.9 | 132.9 | 173.3 | 60.3 | 0 | 0 | 0 | 0 | 108.1 | D815 A916 H918 G935 V939 | D815-S937 VanDerWaalsContact OD2-CA 3.28Å; D815-S937 WeakPolarHBondContact OD2-CA 3.4Å; A916-S937 PolarHBondContact O-N 2.78Å; H918-S937 PolarHBondContact CD2-OG 3.36Å; H918-S937 PolarHBondContact NE2-O 3.02Å; H918-S937 PolarHBondContact NE2-OG 3.46Å; G935-S937 PolarHBondContact O-N 3.12Å; S937-V939 PolarHBondContact O-N 3.1Å | ||
| 938 | S | 73.5 | Confident | 59.7 | Low | 42 Ų | 42 | 79.8 Ų | 79.8 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | trans | -45.4 | 131.8 | 168.7 | 84.9 | 0 | 0 | 0 | 0 | 110.3 | D815 M889 W890 C940 | D815-S938 PolarHBondContact OD2-N 3.18Å; M889-S938 CarbonylContact O-C 3.57Å; M889-S938 WeakPolarHBondContact O-CA 3.4Å; M889-S938 PolarHBondContact O-OG 3.49Å; W890-S938 VanDerWaalsContact CD1-CA 3.45Å; S938-C940 PolarHBondContact O-N 3.28Å; S938-C940 PolarHBondContact OG-O 2.98Å | ||
| 939 | V | 81.9 | Confident | 62.4 | Low | 30.25 Ų | 30.25 | 74.2 Ų | 74.2 | 18% | 0.183 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -75.4 | -32.2 | -179.9 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | Y870 M889 L891 S937 Y1003 | Y870-V939 HydrophobicContact CD1-CG2 4.49Å; M889-V939 HydrophobicContact CB-CG2 4.06Å; M889-V939 HydrophobicContact CE-CG1 4.32Å; M889-V939 HydrophobicContact CG-CG2 3.84Å; M889-V939 WeakPolarHBondContact O-CA 3.36Å; M889-V939 WeakPolarHBondContact O-CB 3.29Å; M889-V939 VanDerWaalsContact O-CG2 3.29Å; M889-V939 WeakPolarHBondContact O-CG2 3.43Å; M889-V939 PolarHBondContact O-N 3.09Å; M889-V939 HydrophobicContact SD-CG2 4.46Å; L891-V939 HydrophobicContact CB-CG1 3.8Å; L891-V939 HydrophobicContact CB-CG2 3.79Å; S937-V939 PolarHBondContact O-N 3.1Å; V939-Y1003 HydrophobicContact CB-CD2 3.84Å; V939-Y1003 HydrophobicContact CB-CE2 3.7Å; V939-Y1003 HydrophobicContact CG1-CD1 4.41Å; V939-Y1003 HydrophobicContact CG1-CD2 3.2Å; V939-Y1003 HydrophobicContact CG1-CE1 4.32Å; V939-Y1003 HydrophobicContact CG1-CE2 3.4Å; V939-Y1003 HydrophobicContact CG1-CG 3.89Å; V939-Y1003 HydrophobicContact CG2-CD2 4.05Å; V939-Y1003 HydrophobicContact CG2-CE2 4.06Å |
| 940 | C | 86.1 | Confident | 65.4 | Low | 13.25 Ų | 13.25 | 68.5 Ų | 68.5 | 9% | 0.09 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 137.2 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | H888 M889 S938 Y1003 | H888-C940 CarbonylContact C-O 3.54Å; H888-C940 WeakPolarHBondContact CA-O 3.31Å; M889-C940 HydrophobicContact CB-CB 4.16Å; M889-C940 HydrophobicContact CE-CB 4.08Å; M889-C940 PolarHBondContact N-O 3.2Å; M889-C940 PolarHBondContact O-N 3.26Å; S938-C940 PolarHBondContact O-N 3.28Å; S938-C940 PolarHBondContact OG-O 2.98Å; C940-Y1003 PolarHBondContact SG-O 3.09Å |
| 941 | S | 89.7 | Confident | 68.4 | Low | 68.5 Ų | 68.5 | 68.6 Ų | 68.6 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 116.7 | 166 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | I887 H888 | I887-S941 WeakPolarHBondContact O-CA 3.37Å; H888-S941 PolarHBondContact CE1-OG 3.07Å; H888-S941 VanDerWaalsContact CE1-OG 3.23Å; H888-S941 PolarHBondContact ND1-OG 3.2Å |
| 942 | Q | 91 | Very high | 71.6 | Confident | 35.75 Ų | 35.75 | 61.2 Ų | 61.2 | 17% | 0.167 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.4 | -174.7 | 125.8 | -177.9 | -6.2 | 0 | 0 | 110.9 | T886 I887 W1005 | T886-Q942 CarbonylContact C-O 3.56Å; T886-Q942 WeakPolarHBondContact CA-O 3.34Å; T886-Q942 WeakPolarHBondContact CG2-O 3.36Å; I887-Q942 HydrophobicContact CG2-CB 4.17Å; I887-Q942 HydrophobicContact CG2-CG 3.47Å; I887-Q942 VanDerWaalsContact CG2-CG 3.42Å; I887-Q942 VanDerWaalsContact CG2-NE2 3.29Å; I887-Q942 WeakPolarHBondContact CG2-O 3.37Å; I887-Q942 PolarHBondContact N-O 3.38Å; I887-Q942 PolarHBondContact O-N 3.09Å; Q942-W1005 VanDerWaalsContact CD-N 3.35Å; Q942-W1005 HydrophobicContact CG-CB 4.33Å; Q942-W1005 VanDerWaalsContact NE2-CA 3.26Å; Q942-W1005 VanDerWaalsContact NE2-CB 3.29Å; Q942-W1005 PolarHBondContact NE2-O 3.31Å; Q942-W1005 VanDerWaalsContact OE1-N 3.1Å |
| 943 | S | 89.9 | Confident | 74.7 | Confident | 58.25 Ų | 58.25 | 58.1 Ų | 58.1 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 133.3 | 166.2 | -113.5 | 0 | 0 | 0 | 0 | 110 | K884 P885 T886 D945 | K884-S943 WeakPolarHBondContact CB-OG 3.39Å; P885-S943 WeakPolarHBondContact O-CA 3.33Å; P885-S943 PolarHBondContact O-OG 2.92Å; T886-S943 PolarHBondContact OG1-OG 3Å; S943-D945 PolarHBondContact O-N 3.26Å |
| 944 | L | 90.8 | Very high | 77.9 | Confident | 1.75 Ų | 1.75 | 52.5 Ų | 52.5 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | trans | -67.1 | 136.4 | 177 | -66.2 | -175.3 | 0 | 0 | 0 | 110.3 | L874 K884 P885 I887 L946 W989 W1005 | L874-L944 HydrophobicContact CD1-CD1 3.71Å; L874-L944 HydrophobicContact CD1-CG 4.3Å; K884-L944 WeakPolarHBondContact CD-O 3.28Å; P885-L944 HydrophobicContact CG-CB 4.27Å; P885-L944 HydrophobicContact CG-CD1 4.12Å; P885-L944 HydrophobicContact CG-CG 4.34Å; P885-L944 PolarHBondContact O-N 3.22Å; I887-L944 HydrophobicContact CB-CD2 4.16Å; I887-L944 HydrophobicContact CB-CG 4.42Å; I887-L944 HydrophobicContact CD1-CD2 4.46Å; I887-L944 HydrophobicContact CG2-CD2 3.79Å; I887-L944 HydrophobicContact CG2-CG 4.35Å; L944-L946 VanDerWaalsContact C-N 3.28Å; L944-L946 HydrophobicContact CB-CG 4.47Å; L944-L946 PolarHBondContact O-N 3.29Å; L944-W989 HydrophobicContact CB-CH2 3.89Å; L944-W989 HydrophobicContact CB-CZ2 4.35Å; L944-W989 HydrophobicContact CB-CZ3 4.08Å; L944-W989 HydrophobicContact CD1-CD2 4.29Å; L944-W989 HydrophobicContact CD1-CE3 4.46Å; L944-W989 HydrophobicContact CD1-CH2 4.39Å; L944-W989 HydrophobicContact CD1-CZ2 4.11Å; L944-W989 HydrophobicContact CD1-CZ3 4.48Å; L944-W989 HydrophobicContact CD2-CD2 4.28Å; L944-W989 HydrophobicContact CD2-CE3 3.87Å; L944-W989 HydrophobicContact CD2-CH2 4.49Å; L944-W989 HydrophobicContact CD2-CZ3 4Å; L944-W989 HydrophobicContact CG-CH2 4.47Å; L944-W989 HydrophobicContact CG-CZ3 4.45Å; L944-W1005 HydrophobicContact CD2-CB 4.24Å | ||
| 945 | D | 88.9 | Confident | 81.2 | Confident | 109.5 Ų | 109.5 | 49.9 Ų | 49.9 | 59% | 0.586 | 30% | 0.303 | S | S | * | . | trans | -78.6 | 69.7 | -177 | -120 | -6.7 | 0 | 0 | 0 | 112.1 | K884 S943 | K884-D945 IonicContact NZ-OD1 3.38Å; K884-D945 PolarHBondContact NZ-OD1 2.96Å; S943-D945 PolarHBondContact O-N 3.26Å | ||
| 946 | L | 88.5 | Confident | 84.3 | Confident | 4.25 Ų | 4.25 | 48.2 Ų | 48.2 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 154.5 | 173.9 | -70 | 173.2 | 0 | 0 | 0 | 111.8 | K884 P885 L944 V950 V952 W989 | K884-L946 HydrophobicContact CD-CB 4.41Å; K884-L946 VanDerWaalsContact CE-O 3.24Å; K884-L946 WeakPolarHBondContact CE-O 3.34Å; K884-L946 PolarHBondContact NZ-O 3.24Å; P885-L946 HydrophobicContact CG-CD1 3.98Å; L944-L946 VanDerWaalsContact C-N 3.28Å; L944-L946 HydrophobicContact CB-CG 4.47Å; L944-L946 PolarHBondContact O-N 3.29Å; L946-V950 HydrophobicContact CB-CB 4.49Å; L946-V950 HydrophobicContact CD2-CG1 4.44Å; L946-V952 HydrophobicContact CD1-CG2 3.8Å; L946-W989 HydrophobicContact CD2-CH2 3.94Å; L946-W989 HydrophobicContact CD2-CZ2 3.7Å; L946-W989 HydrophobicContact CG-CH2 4.24Å; L946-W989 HydrophobicContact CG-CZ2 4.27Å |
| 947 | P | 87.1 | Confident | 86.8 | Confident | 64.75 Ų | 64.75 | 48.3 Ų | 48.3 | 42% | 0.42 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 156.5 | 170.1 | -19.7 | 31 | 0 | 0 | 0 | 112.3 | G949 V950 | P947-G949 PolarHBondContact O-N 3Å; P947-V950 HydrophobicContact CB-CB 4.45Å; P947-V950 HydrophobicContact CB-CG2 3.81Å; P947-V950 HydrophobicContact CG-CG2 4.16Å; P947-V950 WeakPolarHBondContact O-CB 3.29Å; P947-V950 PolarHBondContact O-N 2.96Å; P947-V950 VanDerWaalsContact O-N 3.12Å |
| 948 | E | 83.1 | Confident | 88.2 | Confident | 193 Ų | 193 | 45.5 Ų | 45.5 | 90% | 0.902 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 134.9 | -179.2 | -85.4 | -175.1 | 172.1 | 0 | 0 | 111.7 | V950 | E948-V950 PolarHBondContact O-N 3.19Š|
| 949 | G | 83.1 | Confident | 88.6 | Confident | 57.75 Ų | 57.75 | 44 Ų | 44 | 60% | 0.595 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -12.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | P947 | P947-G949 PolarHBondContact O-N 3Š|
| 950 | V | 88.9 | Confident | 88 | Confident | 13.75 Ų | 13.75 | 44 Ų | 44 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | trans | -79 | 131.9 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | A883 L946 P947 E948 C981 D983 | A883-V950 WeakPolarHBondContact CB-O 3.2Å; L946-V950 HydrophobicContact CB-CB 4.49Å; L946-V950 HydrophobicContact CD2-CG1 4.44Å; P947-V950 HydrophobicContact CB-CB 4.45Å; P947-V950 HydrophobicContact CB-CG2 3.81Å; P947-V950 HydrophobicContact CG-CG2 4.16Å; P947-V950 WeakPolarHBondContact O-CB 3.29Å; P947-V950 PolarHBondContact O-N 2.96Å; P947-V950 VanDerWaalsContact O-N 3.12Å; E948-V950 PolarHBondContact O-N 3.19Å; V950-C981 HydrophobicContact CG1-CB 3.78Å; V950-D983 HydrophobicContact CG1-CB 4.42Å; V950-D983 WeakPolarHBondContact CG1-OD1 3.37Å; V950-D983 HydrophobicContact CG2-CB 4.05Å | ||
| 951 | R | 88.2 | Confident | 87 | Confident | 139 Ų | 139 | 45.7 Ų | 45.7 | 53% | 0.525 | 26% | 0.258 | S | S | . | . | trans | -120.5 | 150.8 | 177.3 | 44.7 | 177.5 | -154 | -114.1 | -1 | 111.1 | A883 I953 C981 S982 | A883-R951 HydrophobicContact CB-CB 4.32Å; A883-R951 HydrophobicContact CB-CG 3.7Å; R951-I953 PolarHBondContact O-N 3.36Å; R951-C981 CarbonylContact O-C 3.53Å; R951-C981 VanDerWaalsContact O-CA 3.31Å; R951-C981 WeakPolarHBondContact O-CA 3.38Å; R951-S982 WeakPolarHBondContact CG-OG 3.31Å; R951-S982 PolarHBondContact N-OG 3.17Å; R951-S982 PolarHBondContact O-N 2.96Å; R951-S982 PolarHBondContact O-OG 3.39Å | ||
| 952 | V | 91 | Very high | 85.8 | Confident | 7.75 Ų | 7.75 | 44.7 Ų | 44.7 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.9 | 170.8 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | Q824 L874 P885 L946 D954 C955 T979 | Q824-V952 PolarHBondContact NE2-O 3.19Å; L874-V952 HydrophobicContact CD2-CG1 4.35Å; P885-V952 HydrophobicContact CG-CB 4.42Å; P885-V952 HydrophobicContact CG-CG2 3.85Å; L946-V952 HydrophobicContact CD1-CG2 3.8Å; V952-D954 WeakPolarHBondContact CG1-O 3.41Å; V952-C955 HydrophobicContact CG1-CB 4.2Å; V952-T979 HydrophobicContact CG1-CG2 4.03Å; V952-T979 HydrophobicContact CG2-CG2 4.17Å |
| 953 | I | 89.7 | Confident | 84.5 | Confident | 39.5 Ų | 39.5 | 43.3 Ų | 43.3 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -49.5 | 175.2 | -63.2 | -178.4 | 0 | 0 | 0 | 110 | R951 A980 V1025 | R951-I953 PolarHBondContact O-N 3.36Å; I953-A980 PolarHBondContact N-O 3.06Å; I953-V1025 VanDerWaalsContact CD1-O 3.3Å; I953-V1025 WeakPolarHBondContact CD1-O 3.34Å |
| 954 | D | 92.5 | Very high | 83.3 | Confident | 28.25 Ų | 28.25 | 42.1 Ų | 42.1 | 15% | 0.151 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.9 | -176.3 | -162.2 | 34.7 | 0 | 0 | 0 | 110.3 | V952 T979 A980 R1027 V1028 | V952-D954 WeakPolarHBondContact CG1-O 3.41Å; D954-T979 WeakPolarHBondContact O-CA 3.39Å; D954-A980 HydrophobicContact CB-CB 4.15Å; D954-A980 PolarHBondContact N-O 3.28Å; D954-A980 PolarHBondContact O-N 2.98Å; D954-R1027 VanDerWaalsContact CG-CD 3.5Å; D954-R1027 IonicContact OD1-CZ 3.71Å; D954-R1027 IonicContact OD1-NH1 3.19Å; D954-R1027 PolarHBondContact OD1-NH1 3.16Å; D954-R1027 WeakPolarHBondContact OD2-CA 3.39Å; D954-R1027 WeakPolarHBondContact OD2-CD 3.36Å; D954-R1027 IonicContact OD2-NH1 3.19Å; D954-V1028 HydrophobicContact CB-CG1 4.45Å; D954-V1028 PolarHBondContact OD2-N 3.14Å; D954-V1028 VanDerWaalsContact OD2-N 3.09Å |
| 955 | C | 93.8 | Very high | 82 | Confident | 11.5 Ų | 11.5 | 43.4 Ų | 43.4 | 8% | 0.078 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.7 | -178.2 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | L825 L874 V952 A978 T979 | L825-C955 HydrophobicContact CB-CB 4.38Å; L825-C955 WeakPolarHBondContact CD2-SG 3.32Å; L874-C955 HydrophobicContact CD2-CB 3.89Å; V952-C955 HydrophobicContact CG1-CB 4.2Å; C955-A978 WeakPolarHBondContact CA-O 3.31Å; C955-A978 PolarHBondContact SG-O 3.03Å; C955-A978 VanDerWaalsContact SG-O 3.38Å; C955-T979 HydrophobicContact CB-CG2 4.11Å |
| 956 | C | 93.7 | Very high | 80.7 | Confident | 17.5 Ų | 17.5 | 40.2 Ų | 40.2 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.6 | -176.4 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | A978 V1028 C1030 | C956-A978 PolarHBondContact N-O 3Å; C956-A978 PolarHBondContact O-N 3.17Å; C956-V1028 HydrophobicContact CB-CG1 4.31Å; C956-V1028 WeakPolarHBondContact CB-O 3.34Å; C956-C1030 PolarHBondContact SG-N 2.83Å |
| 957 | P | 93 | Very high | 79.4 | Confident | 18.25 Ų | 18.25 | 43.8 Ų | 43.8 | 12% | 0.119 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.2 | 169.1 | 29.3 | -32.6 | 0 | 0 | 0 | 110.8 | L825 H827 F829 V959 S960 H961 L976 L977 | L825-P957 HydrophobicContact CD1-CG 4.18Å; H827-P957 HydrophobicContact CB-CB 4.48Å; H827-P957 HydrophobicContact CB-CG 4.41Å; F829-P957 HydrophobicContact CE1-CB 4.49Å; F829-P957 HydrophobicContact CZ-CB 4.28Å; P957-V959 VanDerWaalsContact C-N 3.33Å; P957-S960 PolarHBondContact O-OG 3.08Å; P957-H961 PolarHBondContact O-CE1 3.5Å; P957-L976 WeakPolarHBondContact CA-O 3.38Å; P957-L977 HydrophobicContact CB-CD2 4.26Å |
| 958 | S | 88.7 | Confident | 78.1 | Confident | 0.25 Ų | 0.25 | 44.2 Ų | 44.2 | 0% | 0.002 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -79.9 | -22.6 | 175.7 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | H961 S964 Y975 L976 Y1032 S1033 | S958-H961 VanDerWaalsContact C-CE1 3.46Å; S958-H961 PolarHBondContact O-CE1 3.09Å; S958-S964 PolarHBondContact O-OG 3.09Å; S958-Y975 VanDerWaalsContact CB-CE2 3.44Å; S958-Y975 PolarHBondContact OG-O 2.99Å; S958-L976 PolarHBondContact N-O 3.16Å; S958-L976 VanDerWaalsContact OG-CA 3.27Å; S958-L976 WeakPolarHBondContact OG-CA 3.41Å; S958-L976 PolarHBondContact OG-O 3.2Å; S958-L976 VanDerWaalsContact OG-O 3.04Å; S958-Y1032 CarbonylContact O-C 3.56Å; S958-Y1032 WeakPolarHBondContact O-CA 3.43Å; S958-S1033 PolarHBondContact O-N 3.34Å |
| 959 | V | 80.6 | Confident | 76.7 | Confident | 10.75 Ų | 10.75 | 39 Ų | 39 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -118.2 | 104.2 | -178.1 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | H827 F829 V833 P957 H961 Y968 A973 L976 | H827-V959 PolarHBondContact NE2-O 3.09Å; F829-V959 HydrophobicContact CD1-CB 4.32Å; F829-V959 HydrophobicContact CE1-CB 4.27Å; V833-V959 HydrophobicContact CG1-CB 4.36Å; V833-V959 HydrophobicContact CG1-CG1 4Å; V833-V959 HydrophobicContact CG1-CG2 4.12Å; V833-V959 HydrophobicContact CG2-CG1 4.48Å; P957-V959 VanDerWaalsContact C-N 3.33Å; V959-H961 PolarHBondContact O-N 3.35Å; V959-Y968 HydrophobicContact CB-CD2 4.24Å; V959-Y968 HydrophobicContact CB-CE2 4.36Å; V959-Y968 HydrophobicContact CB-CG 4.42Å; V959-Y968 HydrophobicContact CG1-CD1 4.06Å; V959-Y968 HydrophobicContact CG1-CD2 3.5Å; V959-Y968 VanDerWaalsContact CG1-CD2 3.48Å; V959-Y968 HydrophobicContact CG1-CE2 4.1Å; V959-Y968 HydrophobicContact CG1-CG 3.64Å; V959-Y968 VanDerWaalsContact CG1-CG 3.43Å; V959-Y968 HydrophobicContact CG2-CD1 4.23Å; V959-Y968 HydrophobicContact CG2-CD2 4Å; V959-Y968 HydrophobicContact CG2-CE1 4.28Å; V959-Y968 HydrophobicContact CG2-CE2 3.73Å; V959-Y968 HydrophobicContact CG2-CG 4.18Å; V959-A973 HydrophobicContact CG2-CB 3.47Å; V959-L976 HydrophobicContact CG2-CD2 4.36Å |
| 960 | S | 69.5 | Low | 75.3 | Confident | 31.25 Ų | 31.25 | 41 Ų | 41 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | trans | -123.6 | 4 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | H827 P957 L962 S963 S964 | H827-S960 VanDerWaalsContact CE1-CB 3.47Å; H827-S960 WeakPolarHBondContact CE1-CB 3.43Å; H827-S960 PolarHBondContact CE1-O 3.29Å; P957-S960 PolarHBondContact O-OG 3.08Å; S960-L962 PolarHBondContact O-N 3.29Å; S960-L962 PolarHBondContact OG-N 3.11Å; S960-S963 PolarHBondContact O-N 3.25Å; S960-S964 PolarHBondContact N-OG 3.4Å; S960-S964 VanDerWaalsContact N-OG 3.14Å | ||
| 961 | H | 65.5 | Low | 74.1 | Confident | 47.75 Ų | 47.75 | 43.6 Ų | 43.6 | 22% | 0.221 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -90.5 | 148.8 | 178.7 | -35.4 | -75 | 0 | 0 | 0 | 111.4 | P628 P716 H827 V828 P957 S958 V959 S963 S964 S965 C1030 A1031 | P628-H961 HydrophobicContact CB-CB 3.65Å; P628-H961 HydrophobicContact CG-CB 4.28Å; P716-H961 VanDerWaalsContact CG-CE1 3.49Å; P716-H961 WeakPolarHBondContact CG-CE1 3.45Å; H827-H961 AromaticContact CE1-NE2 3.89Å; H827-H961 AromaticContact NE2-NE2 3.75Å; V828-H961 PolarHBondContact O-CE1 2.89Å; P957-H961 PolarHBondContact O-CE1 3.5Å; S958-H961 VanDerWaalsContact C-CE1 3.46Å; S958-H961 PolarHBondContact O-CE1 3.09Å; V959-H961 PolarHBondContact O-N 3.35Å; H961-S963 VanDerWaalsContact C-N 3.31Å; H961-S963 PolarHBondContact O-N 3.08Å; H961-S963 VanDerWaalsContact O-N 3.12Å; H961-S964 PolarHBondContact N-OG 2.9Å; H961-S964 PolarHBondContact ND1-OG 3.47Å; H961-S964 PolarHBondContact O-N 2.94Å; H961-S964 PolarHBondContact O-OG 3.24Å; H961-S965 WeakPolarHBondContact O-CB 3.43Å; H961-S965 PolarHBondContact O-N 3.36Å; H961-C1030 PolarHBondContact CD2-O 3.42Å; H961-C1030 PolarHBondContact NE2-O 3.49Å; H961-A1031 PolarHBondContact NE2-O 3.06Å; H961-A1031 VanDerWaalsContact NE2-O 3.07Å |
| 962 | L | 64.3 | Low | 73.3 | Confident | 48.5 Ų | 48.5 | 44.5 Ų | 44.5 | 25% | 0.254 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.5 | 171.3 | -119.6 | 126.5 | 0 | 0 | 0 | 111.7 | P628 I629 S960 S964 S965 L967 W1250 R1252 | P628-L962 HydrophobicContact CB-CG 4.38Å; P628-L962 WeakPolarHBondContact O-CD1 3.47Å; P628-L962 WeakPolarHBondContact O-CD2 3.13Å; I629-L962 HydrophobicContact CB-CD1 4.24Å; I629-L962 HydrophobicContact CG1-CD1 3.61Å; I629-L962 HydrophobicContact CG1-CD2 4.33Å; S960-L962 PolarHBondContact O-N 3.29Å; S960-L962 PolarHBondContact OG-N 3.11Å; L962-S964 VanDerWaalsContact C-N 3.33Å; L962-S964 PolarHBondContact O-N 2.97Å; L962-S965 WeakPolarHBondContact O-CB 3.36Å; L962-S965 PolarHBondContact O-N 2.99Å; L962-S965 PolarHBondContact O-OG 2.97Å; L962-L967 HydrophobicContact CD2-CD1 4.06Å; L962-L967 HydrophobicContact CD2-CD2 4.27Å; L962-W1250 HydrophobicContact CD2-CB 4.17Å; L962-W1250 WeakPolarHBondContact CD2-O 3.28Å; L962-R1252 HydrophobicContact CD1-CG 3.62Å; L962-R1252 VanDerWaalsContact CD1-NE 3.34Å; L962-R1252 HydrophobicContact CD2-CG 4.2Å; L962-R1252 HydrophobicContact CG-CG 4.42Å |
| 963 | S | 64.2 | Low | 72.8 | Confident | 5.5 Ų | 5.5 | 44.5 Ų | 44.5 | 4% | 0.038 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 42.6 | 175.3 | -110.4 | 0 | 0 | 0 | 0 | 110.5 | S960 H961 S965 S966 A1031 Y1032 W1161 S1163 H1169 | S960-S963 PolarHBondContact O-N 3.25Å; H961-S963 VanDerWaalsContact C-N 3.31Å; H961-S963 PolarHBondContact O-N 3.08Å; H961-S963 VanDerWaalsContact O-N 3.12Å; S963-S965 VanDerWaalsContact C-N 3.34Å; S963-S965 WeakPolarHBondContact CB-OG 3.44Å; S963-S965 PolarHBondContact O-N 3.08Å; S963-S965 PolarHBondContact OG-OG 3.17Å; S963-S966 PolarHBondContact O-N 3.41Å; S963-S966 PolarHBondContact O-OG 3.01Å; S963-S966 VanDerWaalsContact O-OG 3.13Å; S963-A1031 CarbonylContact C-O 3.58Å; S963-Y1032 WeakPolarHBondContact OG-CB 3.25Å; S963-W1161 PolarHBondContact OG-O 2.81Å; S963-S1163 PolarHBondContact OG-N 3.21Å; S963-S1163 VanDerWaalsContact OG-N 3.13Å; S963-H1169 VanDerWaalsContact CB-CE1 3.49Å; S963-H1169 WeakPolarHBondContact CB-CE1 3.46Å; S963-H1169 PolarHBondContact O-CE1 3.34Å; S963-H1169 VanDerWaalsContact O-CE1 3.32Å |
| 964 | S | 63.7 | Low | 72.6 | Confident | 32.75 Ų | 32.75 | 44.5 Ų | 44.5 | 23% | 0.229 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -70.2 | -22 | 178.3 | 37.8 | 0 | 0 | 0 | 0 | 112.3 | S958 S960 H961 L962 S966 L967 Y968 A1031 | S958-S964 PolarHBondContact O-OG 3.09Å; S960-S964 PolarHBondContact N-OG 3.4Å; S960-S964 VanDerWaalsContact N-OG 3.14Å; H961-S964 PolarHBondContact N-OG 2.9Å; H961-S964 PolarHBondContact ND1-OG 3.47Å; H961-S964 PolarHBondContact O-N 2.94Å; H961-S964 PolarHBondContact O-OG 3.24Å; L962-S964 VanDerWaalsContact C-N 3.33Å; L962-S964 PolarHBondContact O-N 2.97Å; S964-S966 VanDerWaalsContact C-N 3.28Å; S964-S966 PolarHBondContact O-N 3.17Å; S964-S966 VanDerWaalsContact O-N 3.1Å; S964-L967 PolarHBondContact O-N 3.11Å; S964-L967 VanDerWaalsContact O-N 3.16Å; S964-Y968 VanDerWaalsContact O-CD2 3.26Å; S964-Y968 WeakPolarHBondContact O-CD2 3.34Å; S964-Y968 PolarHBondContact O-N 3.23Å; S964-Y968 VanDerWaalsContact O-N 3.16Å; S964-A1031 PolarHBondContact N-O 3.44Å; S964-A1031 PolarHBondContact OG-O 3.04Å |
| 965 | S | 63.5 | Low | 72.5 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -56.3 | -32.8 | -178.9 | 67 | 0 | 0 | 0 | 0 | 113.6 | P628 H961 L962 S963 L967 C971 Y1032 R1252 | P628-S965 PolarHBondContact O-OG 3.43Å; H961-S965 WeakPolarHBondContact O-CB 3.43Å; H961-S965 PolarHBondContact O-N 3.36Å; L962-S965 WeakPolarHBondContact O-CB 3.36Å; L962-S965 PolarHBondContact O-N 2.99Å; L962-S965 PolarHBondContact O-OG 2.97Å; S963-S965 VanDerWaalsContact C-N 3.34Å; S963-S965 WeakPolarHBondContact CB-OG 3.44Å; S963-S965 PolarHBondContact O-N 3.08Å; S963-S965 PolarHBondContact OG-OG 3.17Å; S965-L967 PolarHBondContact O-N 3.02Å; S965-C971 CarbonylContact O-C 3.57Å; S965-C971 WeakPolarHBondContact O-CB 3.3Å; S965-Y1032 WeakPolarHBondContact OG-CB 3.14Å; S965-Y1032 WeakPolarHBondContact OG-CD2 3.36Å; S965-R1252 PolarHBondContact OG-NH2 2.83Å |
| 966 | S | 62.5 | Low | 72.4 | Confident | 42.25 Ų | 42.25 | 42.9 Ų | 42.9 | 30% | 0.295 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -83.3 | -12.3 | -178.4 | 1.3 | 0 | 0 | 0 | 0 | 114.4 | S963 S964 | S963-S966 PolarHBondContact O-N 3.41Å; S963-S966 PolarHBondContact O-OG 3.01Å; S963-S966 VanDerWaalsContact O-OG 3.13Å; S964-S966 VanDerWaalsContact C-N 3.28Å; S964-S966 PolarHBondContact O-N 3.17Å; S964-S966 VanDerWaalsContact O-N 3.1Å |
| 967 | L | 60 | Low | 72.4 | Confident | 81 Ų | 81 | 42.2 Ų | 42.2 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -30.5 | -176.6 | -68.1 | 168.9 | 0 | 0 | 0 | 112.7 | L962 S964 S965 S970 C971 Y1032 | L962-L967 HydrophobicContact CD2-CD1 4.06Å; L962-L967 HydrophobicContact CD2-CD2 4.27Å; S964-L967 PolarHBondContact O-N 3.11Å; S964-L967 VanDerWaalsContact O-N 3.16Å; S965-L967 PolarHBondContact O-N 3.02Å; L967-S970 PolarHBondContact O-N 3.3Å; L967-C971 WeakPolarHBondContact O-CB 3.26Å; L967-C971 PolarHBondContact O-N 3.29Å; L967-C971 VanDerWaalsContact O-N 3.17Å; L967-Y1032 HydrophobicContact CD1-CD1 4.08Å; L967-Y1032 HydrophobicContact CD1-CD2 3.73Å; L967-Y1032 HydrophobicContact CD1-CE1 4.46Å; L967-Y1032 HydrophobicContact CD1-CE2 4.27Å; L967-Y1032 HydrophobicContact CD1-CG 3.54Å; L967-Y1032 VanDerWaalsContact CD1-CG 3.44Å |
| 968 | Y | 60.7 | Low | 72.5 | Confident | 73.75 Ų | 73.75 | 41.3 Ų | 41.3 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 114.2 | -174.9 | -70.9 | -73.6 | 0 | 0 | 0 | 113 | V959 S964 S970 C971 R972 A973 S1033 | V959-Y968 HydrophobicContact CB-CD2 4.24Å; V959-Y968 HydrophobicContact CB-CE2 4.36Å; V959-Y968 HydrophobicContact CB-CG 4.42Å; V959-Y968 HydrophobicContact CG1-CD1 4.06Å; V959-Y968 HydrophobicContact CG1-CD2 3.5Å; V959-Y968 VanDerWaalsContact CG1-CD2 3.48Å; V959-Y968 HydrophobicContact CG1-CE2 4.1Å; V959-Y968 HydrophobicContact CG1-CG 3.64Å; V959-Y968 VanDerWaalsContact CG1-CG 3.43Å; V959-Y968 HydrophobicContact CG2-CD1 4.23Å; V959-Y968 HydrophobicContact CG2-CD2 4Å; V959-Y968 HydrophobicContact CG2-CE1 4.28Å; V959-Y968 HydrophobicContact CG2-CE2 3.73Å; V959-Y968 HydrophobicContact CG2-CG 4.18Å; S964-Y968 VanDerWaalsContact O-CD2 3.26Å; S964-Y968 WeakPolarHBondContact O-CD2 3.34Å; S964-Y968 PolarHBondContact O-N 3.23Å; S964-Y968 VanDerWaalsContact O-N 3.16Å; Y968-S970 PolarHBondContact O-N 3.17Å; Y968-S970 VanDerWaalsContact O-N 3.1Å; Y968-C971 HydrophobicContact CD1-CB 4.45Å; Y968-C971 WeakPolarHBondContact CD1-O 3.21Å; Y968-C971 HydrophobicContact CE1-CB 4.25Å; Y968-C971 WeakPolarHBondContact CE1-O 3.41Å; Y968-C971 CarbonylContact O-C 3.58Å; Y968-C971 PolarHBondContact O-N 3.06Å; Y968-R972 PolarHBondContact O-N 3.48Å; Y968-A973 HydrophobicContact CD1-CB 4.09Å; Y968-A973 HydrophobicContact CE1-CB 3.62Å; Y968-A973 VanDerWaalsContact CE1-CB 3.48Å; Y968-S1033 WeakPolarHBondContact OH-CB 3.35Å; Y968-S1033 PolarHBondContact OH-N 3.36Å; Y968-S1033 PolarHBondContact OH-OG 2.99Å |
| 969 | P | 53.8 | Low | 72.9 | Confident | 83 Ų | 83 | 41.3 Ų | 41.3 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.8 | 158 | -9.6 | 17.5 | 0 | 0 | 0 | 114.2 | C971 R972 | P969-C971 PolarHBondContact O-N 2.64Å; P969-C971 VanDerWaalsContact O-N 3.15Å; P969-R972 VanDerWaalsContact O-CD 3.3Å; P969-R972 WeakPolarHBondContact O-CD 3.47Å; P969-R972 VanDerWaalsContact O-CG 3.28Å; P969-R972 WeakPolarHBondContact O-CG 3.48Å |
| 970 | S | 54.2 | Low | 73.5 | Confident | 99.25 Ų | 99.25 | 40.8 Ų | 40.8 | 69% | 0.694 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.6 | -176.9 | -8.2 | 0 | 0 | 0 | 0 | 114.3 | L967 Y968 | L967-S970 PolarHBondContact O-N 3.3Å; Y968-S970 PolarHBondContact O-N 3.17Å; Y968-S970 VanDerWaalsContact O-N 3.1Å |
| 971 | C | 62.8 | Low | 74.7 | Confident | 68.25 Ų | 68.25 | 39.3 Ų | 39.3 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -118.2 | 91.8 | -178.1 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | S965 L967 Y968 P969 A973 | S965-C971 CarbonylContact O-C 3.57Å; S965-C971 WeakPolarHBondContact O-CB 3.3Å; L967-C971 WeakPolarHBondContact O-CB 3.26Å; L967-C971 PolarHBondContact O-N 3.29Å; L967-C971 VanDerWaalsContact O-N 3.17Å; Y968-C971 HydrophobicContact CD1-CB 4.45Å; Y968-C971 WeakPolarHBondContact CD1-O 3.21Å; Y968-C971 HydrophobicContact CE1-CB 4.25Å; Y968-C971 WeakPolarHBondContact CE1-O 3.41Å; Y968-C971 CarbonylContact O-C 3.58Å; Y968-C971 PolarHBondContact O-N 3.06Å; P969-C971 PolarHBondContact O-N 2.64Å; P969-C971 VanDerWaalsContact O-N 3.15Å; C971-A973 PolarHBondContact O-N 3.01Å |
| 972 | R | 71.1 | Confident | 75.8 | Confident | 157.5 Ų | 157.5 | 38.8 Ų | 38.8 | 59% | 0.594 | 22% | 0.222 | S | C | * | . | trans | -67.9 | 137.8 | 175.6 | -69.4 | 177.9 | 175.9 | -168.9 | 1.6 | 110.9 | T836 Y968 P969 P974 | T836-R972 HydrophobicContact CG2-CB 4.12Å; T836-R972 HydrophobicContact CG2-CG 3.86Å; T836-R972 PolarHBondContact O-NH1 3.1Å; Y968-R972 PolarHBondContact O-N 3.48Å; P969-R972 VanDerWaalsContact O-CD 3.3Å; P969-R972 WeakPolarHBondContact O-CD 3.47Å; P969-R972 VanDerWaalsContact O-CG 3.28Å; P969-R972 WeakPolarHBondContact O-CG 3.48Å; R972-P974 VanDerWaalsContact O-CD 3.31Å; R972-P974 WeakPolarHBondContact O-CD 3.31Å | ||
| 973 | A | 80.6 | Confident | 77.2 | Confident | 7.75 Ų | 7.75 | 38.7 Ų | 38.7 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | trans | -78.7 | 119.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V833 V959 Y968 C971 Y975 L976 | V833-A973 HydrophobicContact CG1-CB 4.29Å; V959-A973 HydrophobicContact CG2-CB 3.47Å; Y968-A973 HydrophobicContact CD1-CB 4.09Å; Y968-A973 HydrophobicContact CE1-CB 3.62Å; Y968-A973 VanDerWaalsContact CE1-CB 3.48Å; C971-A973 PolarHBondContact O-N 3.01Å; A973-Y975 VanDerWaalsContact C-N 3.3Å; A973-Y975 PolarHBondContact O-N 3.1Å; A973-L976 HydrophobicContact CB-CD2 4.27Å | ||
| 974 | P | 85.5 | Confident | 78.5 | Confident | 41.25 Ų | 41.25 | 40.6 Ų | 40.6 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -70.2 | -24.3 | -178.4 | 26.2 | -33.7 | 0 | 0 | 0 | 113.4 | R972 W1008 S1033 | R972-P974 VanDerWaalsContact O-CD 3.31Å; R972-P974 WeakPolarHBondContact O-CD 3.31Å; P974-W1008 HydrophobicContact CB-CD2 4.47Å; P974-W1008 HydrophobicContact CB-CZ2 3.76Å; P974-W1008 HydrophobicContact CG-CH2 4.41Å; P974-W1008 HydrophobicContact CG-CZ2 4.15Å; P974-W1008 VanDerWaalsContact O-CD1 3.27Å; P974-W1008 PolarHBondContact O-NE1 3.01Å; P974-S1033 WeakPolarHBondContact CD-OG 3.5Å |
| 975 | Y | 90.8 | Very high | 79.9 | Confident | 0.25 Ų | 0.25 | 42.6 Ų | 42.6 | 0% | 0.001 | 23% | 0.234 | C | C | . | . | trans | -146.6 | 158.2 | 175.1 | 65.6 | -90.9 | 0 | 0 | 0 | 109.9 | S958 A973 A978 F988 W1008 S1033 W1072 | S958-Y975 VanDerWaalsContact CB-CE2 3.44Å; S958-Y975 PolarHBondContact OG-O 2.99Å; A973-Y975 VanDerWaalsContact C-N 3.3Å; A973-Y975 PolarHBondContact O-N 3.1Å; Y975-A978 HydrophobicContact CE2-CB 4.49Å; Y975-F988 HydrophobicContact CD1-CB 4.24Å; Y975-F988 HydrophobicContact CD1-CD1 4.37Å; Y975-F988 HydrophobicContact CD1-CG 4.46Å; Y975-F988 HydrophobicContact CD2-CB 3.99Å; Y975-F988 AromaticContact CD2-CD1 3.76Å; Y975-F988 HydrophobicContact CD2-CD1 3.76Å; Y975-F988 HydrophobicContact CD2-CG 4.28Å; Y975-F988 AromaticContact CE1-CD1 3.93Å; Y975-F988 HydrophobicContact CE1-CD1 4.1Å; Y975-F988 HydrophobicContact CE1-CE1 4.36Å; Y975-F988 HydrophobicContact CE1-CG 4.43Å; Y975-F988 HydrophobicContact CE2-CB 4.4Å; Y975-F988 AromaticContact CE2-CD1 3.36Å; Y975-F988 HydrophobicContact CE2-CD1 3.36Å; Y975-F988 VanDerWaalsContact CE2-CD1 3.4Å; Y975-F988 AromaticContact CE2-CE1 3.97Å; Y975-F988 HydrophobicContact CE2-CE1 4.01Å; Y975-F988 HydrophobicContact CE2-CG 4.23Å; Y975-F988 HydrophobicContact CG-CB 3.89Å; Y975-F988 HydrophobicContact CG-CD1 4.28Å; Y975-F988 HydrophobicContact CG-CG 4.4Å; Y975-F988 AromaticContact CZ-CD1 3.57Å; Y975-F988 VanDerWaalsContact CZ-CD1 3.43Å; Y975-F988 AromaticContact CZ-CE1 3.85Å; Y975-W1008 AromaticContact CD1-CD2 3.89Å; Y975-W1008 HydrophobicContact CD1-CD2 3.89Å; Y975-W1008 AromaticContact CD1-CE3 3.58Å; Y975-W1008 HydrophobicContact CD1-CE3 3.58Å; Y975-W1008 VanDerWaalsContact CD1-CE3 3.47Å; Y975-W1008 HydrophobicContact CD1-CG 4.45Å; Y975-W1008 HydrophobicContact CD1-CH2 4.41Å; Y975-W1008 AromaticContact CD1-CZ3 3.86Å; Y975-W1008 HydrophobicContact CD1-CZ3 3.86Å; Y975-W1008 HydrophobicContact CE1-CE3 4.16Å; Y975-W1008 HydrophobicContact CE1-CH2 4.49Å; Y975-W1008 AromaticContact CE1-CZ3 3.94Å; Y975-W1008 HydrophobicContact CE1-CZ3 4.02Å; Y975-W1008 HydrophobicContact CG-CD2 4.48Å; Y975-W1008 HydrophobicContact CG-CE3 4.33Å; Y975-S1033 VanDerWaalsContact CE1-O 3.24Å; Y975-S1033 WeakPolarHBondContact CE1-O 3.41Å; Y975-S1033 VanDerWaalsContact CZ-O 3.27Å; Y975-S1033 VanDerWaalsContact OH-C 3.3Å; Y975-S1033 WeakPolarHBondContact OH-CA 3.4Å; Y975-S1033 PolarHBondContact OH-O 2.99Å; Y975-W1072 HydrophobicContact CE1-CZ2 4.33Å | ||
| 976 | L | 91.6 | Very high | 81.4 | Confident | 5.25 Ų | 5.25 | 41.2 Ų | 41.2 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -107.8 | -28.9 | -172.6 | -60.1 | 180 | 0 | 0 | 0 | 113.6 | F829 V833 V834 P957 S958 V959 A973 W989 C991 W1005 | F829-L976 HydrophobicContact CD1-CD2 4.35Å; F829-L976 HydrophobicContact CE1-CB 4.12Å; F829-L976 HydrophobicContact CE1-CD2 4.3Å; F829-L976 HydrophobicContact CE2-CB 4.42Å; F829-L976 HydrophobicContact CZ-CB 3.89Å; V833-L976 HydrophobicContact CG1-CD2 3.71Å; V834-L976 HydrophobicContact CG1-CD1 4.39Å; V834-L976 HydrophobicContact CG2-CD1 4.02Å; P957-L976 WeakPolarHBondContact CA-O 3.38Å; S958-L976 PolarHBondContact N-O 3.16Å; S958-L976 VanDerWaalsContact OG-CA 3.27Å; S958-L976 WeakPolarHBondContact OG-CA 3.41Å; S958-L976 PolarHBondContact OG-O 3.2Å; S958-L976 VanDerWaalsContact OG-O 3.04Å; V959-L976 HydrophobicContact CG2-CD2 4.36Å; A973-L976 HydrophobicContact CB-CD2 4.27Å; L976-W989 PolarHBondContact N-O 3.07Å; L976-C991 HydrophobicContact CD1-CB 4.32Å; L976-W1005 HydrophobicContact CB-CH2 4.19Å; L976-W1005 HydrophobicContact CB-CZ3 4.18Å; L976-W1005 HydrophobicContact CD1-CH2 3.88Å; L976-W1005 HydrophobicContact CD1-CZ3 4.34Å |
| 977 | L | 94.4 | Very high | 83 | Confident | 2.25 Ų | 2.25 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.5 | -176.9 | -57.7 | 176.9 | 0 | 0 | 0 | 111 | L825 F829 V872 I887 P957 F988 W989 W1005 | L825-L977 HydrophobicContact CD2-CD1 4.31Å; L825-L977 HydrophobicContact CD2-CD2 3.37Å; L825-L977 HydrophobicContact CD2-CG 4.45Å; F829-L977 HydrophobicContact CE2-CD2 4.33Å; F829-L977 HydrophobicContact CZ-CD2 3.92Å; V872-L977 HydrophobicContact CG1-CD1 4.37Å; I887-L977 HydrophobicContact CD1-CD1 3.73Å; P957-L977 HydrophobicContact CB-CD2 4.26Å; L977-F988 CarbonylContact O-C 3.42Å; L977-F988 WeakPolarHBondContact O-CA 3.32Å; L977-W989 HydrophobicContact CB-CB 4.23Å; L977-W989 PolarHBondContact N-O 3.19Å; L977-W989 PolarHBondContact O-N 2.98Å; L977-W1005 HydrophobicContact CD1-CE3 4.43Å; L977-W1005 HydrophobicContact CD1-CH2 3.99Å; L977-W1005 HydrophobicContact CD1-CZ3 3.75Å; L977-W1005 HydrophobicContact CG-CH2 4.26Å; L977-W1005 HydrophobicContact CG-CZ3 3.99Å |
| 978 | A | 95.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | C955 C956 Y975 R987 F988 V1028 C1030 | C955-A978 WeakPolarHBondContact CA-O 3.31Å; C955-A978 PolarHBondContact SG-O 3.03Å; C955-A978 VanDerWaalsContact SG-O 3.38Å; C956-A978 PolarHBondContact N-O 3Å; C956-A978 PolarHBondContact O-N 3.17Å; Y975-A978 HydrophobicContact CE2-CB 4.49Å; A978-R987 CarbonylContact C-O 3.51Å; A978-R987 VanDerWaalsContact CA-O 3.32Å; A978-R987 WeakPolarHBondContact CA-O 3.4Å; A978-F988 HydrophobicContact CB-CD1 3.93Å; A978-F988 HydrophobicContact CB-CE1 3.86Å; A978-V1028 HydrophobicContact CB-CG2 4.34Å; A978-C1030 VanDerWaalsContact CB-SG 3.52Å; A978-C1030 WeakPolarHBondContact CB-SG 3.49Å |
| 979 | T | 95.6 | Very high | 86.2 | Confident | 0.75 Ų | 0.75 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.6 | 177.7 | 56.2 | 0 | 0 | 0 | 0 | 111 | V952 D954 C955 T986 R987 W989 | V952-T979 HydrophobicContact CG1-CG2 4.03Å; V952-T979 HydrophobicContact CG2-CG2 4.17Å; D954-T979 WeakPolarHBondContact O-CA 3.39Å; C955-T979 HydrophobicContact CB-CG2 4.11Å; T979-T986 CarbonylContact O-C 3.56Å; T979-T986 VanDerWaalsContact O-CA 3.32Å; T979-T986 WeakPolarHBondContact O-CA 3.33Å; T979-R987 PolarHBondContact N-O 3.34Å; T979-R987 PolarHBondContact O-N 3.02Å; T979-R987 PolarHBondContact OG1-O 3.22Å; T979-W989 VanDerWaalsContact CG2-NE1 3.3Å; T979-W989 PolarHBondContact OG1-NE1 3Å |
| 980 | A | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I953 D954 V1025 V1028 | I953-A980 PolarHBondContact N-O 3.06Å; D954-A980 HydrophobicContact CB-CB 4.15Å; D954-A980 PolarHBondContact N-O 3.28Å; D954-A980 PolarHBondContact O-N 2.98Å; A980-V1025 HydrophobicContact CB-CB 4.46Å; A980-V1025 HydrophobicContact CB-CG1 3.41Å; A980-V1028 HydrophobicContact CB-CB 4.08Å; A980-V1028 HydrophobicContact CB-CG1 3.86Å |
| 981 | C | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 164.7 | -174.9 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | V950 R951 D983 D984 R985 R987 | V950-C981 HydrophobicContact CG1-CB 3.78Å; R951-C981 CarbonylContact O-C 3.53Å; R951-C981 VanDerWaalsContact O-CA 3.31Å; R951-C981 WeakPolarHBondContact O-CA 3.38Å; C981-D983 VanDerWaalsContact C-N 3.26Å; C981-D983 WeakPolarHBondContact CB-OD1 3.42Å; C981-D983 PolarHBondContact O-N 3.08Å; C981-D984 PolarHBondContact O-N 3.03Å; C981-R985 WeakPolarHBondContact CB-O 3.38Å; C981-R985 PolarHBondContact N-O 3.15Å; C981-R987 VanDerWaalsContact CB-NH1 3.31Å; C981-R987 PolarHBondContact SG-NH1 3.2Å; C981-R987 VanDerWaalsContact SG-NH1 3.4Å |
| 982 | S | 90.4 | Very high | 91 | Very high | 37.5 Ų | 37.5 | 26.3 Ų | 26.3 | 26% | 0.262 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.3 | -177.1 | 64 | 0 | 0 | 0 | 0 | 115.8 | R951 D984 | R951-S982 WeakPolarHBondContact CG-OG 3.31Å; R951-S982 PolarHBondContact N-OG 3.17Å; R951-S982 PolarHBondContact O-N 2.96Å; R951-S982 PolarHBondContact O-OG 3.39Å; S982-D984 VanDerWaalsContact C-N 3.28Å |
| 983 | D | 91.8 | Very high | 91.8 | Very high | 44.5 Ų | 44.5 | 18.9 Ų | 18.9 | 24% | 0.238 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 24.9 | 169.6 | 62.7 | -26.6 | 0 | 0 | 0 | 110.8 | V950 C981 R985 R987 | V950-D983 HydrophobicContact CG1-CB 4.42Å; V950-D983 WeakPolarHBondContact CG1-OD1 3.37Å; V950-D983 HydrophobicContact CG2-CB 4.05Å; C981-D983 VanDerWaalsContact C-N 3.26Å; C981-D983 WeakPolarHBondContact CB-OD1 3.42Å; C981-D983 PolarHBondContact O-N 3.08Å; D983-R985 PolarHBondContact O-N 3.23Å; D983-R987 VanDerWaalsContact CG-NH1 3.33Å; D983-R987 IonicContact OD1-CZ 3.09Å; D983-R987 IonicContact OD1-NH1 3.3Å; D983-R987 PolarHBondContact OD1-NH1 3.14Å; D983-R987 IonicContact OD1-NH2 3.27Å; D983-R987 IonicContact OD2-CZ 2.92Å; D983-R987 VanDerWaalsContact OD2-CZ 3.28Å; D983-R987 IonicContact OD2-NH1 3.11Å; D983-R987 PolarHBondContact OD2-NH1 3.32Å; D983-R987 VanDerWaalsContact OD2-NH1 3.1Å; D983-R987 IonicContact OD2-NH2 3.02Å; D983-R987 PolarHBondContact OD2-NH2 3.32Å |
| 984 | D | 92.9 | Very high | 91.9 | Very high | 46.5 Ų | 46.5 | 21 Ų | 21 | 25% | 0.249 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 59.1 | 19.2 | 174.6 | -55.2 | -35.6 | 0 | 0 | 0 | 115.7 | C981 S982 V1021 G1023 S1024 V1025 | C981-D984 PolarHBondContact O-N 3.03Å; S982-D984 VanDerWaalsContact C-N 3.28Å; D984-V1021 PolarHBondContact O-N 3.1Å; D984-V1021 VanDerWaalsContact O-N 3.12Å; D984-G1023 VanDerWaalsContact CB-O 3.31Å; D984-G1023 WeakPolarHBondContact CB-O 3.39Å; D984-G1023 VanDerWaalsContact CG-O 3.24Å; D984-S1024 VanDerWaalsContact OD1-CA 3.28Å; D984-S1024 WeakPolarHBondContact OD1-CA 3.39Å; D984-V1025 HydrophobicContact CB-CG2 4.15Å; D984-V1025 WeakPolarHBondContact O-CG2 3.15Å; D984-V1025 PolarHBondContact OD1-N 2.96Å; D984-V1025 VanDerWaalsContact OD1-N 3.1Å |
| 985 | R | 93.5 | Very high | 91.6 | Very high | 74.25 Ų | 74.25 | 22 Ų | 22 | 28% | 0.28 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.1 | 175.4 | -72.4 | -179.1 | 172.7 | -164.5 | -1.1 | 112.9 | C981 D983 E1016 S1018 F1019 E1020 | C981-R985 WeakPolarHBondContact CB-O 3.38Å; C981-R985 PolarHBondContact N-O 3.15Å; D983-R985 PolarHBondContact O-N 3.23Å; R985-E1016 IonicContact CZ-OE1 3.6Å; R985-E1016 IonicContact CZ-OE2 3.3Å; R985-E1016 IonicContact NH1-OE1 3.49Å; R985-E1016 PolarHBondContact NH1-OE1 2.99Å; R985-E1016 IonicContact NH1-OE2 3.67Å; R985-E1016 PolarHBondContact NH1-OE2 2.95Å; R985-E1016 IonicContact NH2-OE1 2.98Å; R985-E1016 IonicContact NH2-OE2 3.01Å; R985-S1018 PolarHBondContact NH1-OG 3.4Å; R985-F1019 WeakPolarHBondContact CA-O 3.37Å; R985-E1020 HydrophobicContact CG-CB 3.98Å; R985-E1020 HydrophobicContact CG-CG 4.12Å; R985-E1020 IonicContact CZ-OE2 3.41Å; R985-E1020 VanDerWaalsContact CZ-OE2 3.3Å; R985-E1020 IonicContact NE-OE2 3.01Å; R985-E1020 PolarHBondContact NE-OE2 3.33Å; R985-E1020 VanDerWaalsContact NE-OE2 3.07Å; R985-E1020 IonicContact NH2-OE2 3.35Å; R985-E1020 PolarHBondContact NH2-OE2 3.27Å |
| 986 | T | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126 | 167 | -57.3 | 0 | 0 | 0 | 0 | 109.2 | T979 F988 S1018 F1019 V1028 | T979-T986 CarbonylContact O-C 3.56Å; T979-T986 VanDerWaalsContact O-CA 3.32Å; T979-T986 WeakPolarHBondContact O-CA 3.33Å; T986-F988 HydrophobicContact CG2-CE1 4.1Å; T986-F988 HydrophobicContact CG2-CE2 4.48Å; T986-F988 HydrophobicContact CG2-CZ 3.86Å; T986-S1018 WeakPolarHBondContact O-CA 3.33Å; T986-S1018 VanDerWaalsContact O-CB 3.26Å; T986-S1018 WeakPolarHBondContact O-CB 3.27Å; T986-F1019 VanDerWaalsContact CB-CE1 3.48Å; T986-F1019 HydrophobicContact CG2-CE1 4.15Å; T986-F1019 HydrophobicContact CG2-CZ 4.1Å; T986-F1019 PolarHBondContact N-O 2.99Å; T986-F1019 PolarHBondContact O-N 2.9Å; T986-V1028 HydrophobicContact CG2-CG2 3.93Å |
| 987 | R | 94.7 | Very high | 90 | Very high | 11.5 Ų | 11.5 | 35.2 Ų | 35.2 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 156.5 | -178.7 | -62.9 | -177.5 | 169.9 | 79.1 | 4 | 111.9 | A978 T979 C981 D983 W989 E1007 | A978-R987 CarbonylContact C-O 3.51Å; A978-R987 VanDerWaalsContact CA-O 3.32Å; A978-R987 WeakPolarHBondContact CA-O 3.4Å; T979-R987 PolarHBondContact N-O 3.34Å; T979-R987 PolarHBondContact O-N 3.02Å; T979-R987 PolarHBondContact OG1-O 3.22Å; C981-R987 VanDerWaalsContact CB-NH1 3.31Å; C981-R987 PolarHBondContact SG-NH1 3.2Å; C981-R987 VanDerWaalsContact SG-NH1 3.4Å; D983-R987 VanDerWaalsContact CG-NH1 3.33Å; D983-R987 IonicContact OD1-CZ 3.09Å; D983-R987 IonicContact OD1-NH1 3.3Å; D983-R987 PolarHBondContact OD1-NH1 3.14Å; D983-R987 IonicContact OD1-NH2 3.27Å; D983-R987 IonicContact OD2-CZ 2.92Å; D983-R987 VanDerWaalsContact OD2-CZ 3.28Å; D983-R987 IonicContact OD2-NH1 3.11Å; D983-R987 PolarHBondContact OD2-NH1 3.32Å; D983-R987 VanDerWaalsContact OD2-NH1 3.1Å; D983-R987 IonicContact OD2-NH2 3.02Å; D983-R987 PolarHBondContact OD2-NH2 3.32Å; R987-W989 HydrophobicContact CB-CZ2 4.37Å; R987-E1007 WeakPolarHBondContact CB-OE1 3.21Å; R987-E1007 VanDerWaalsContact CD-OE1 3.26Å; R987-E1007 WeakPolarHBondContact CD-OE1 3.41Å; R987-E1007 WeakPolarHBondContact CG-OE1 3.4Å; R987-E1007 IonicContact NE-OE1 3.19Å |
| 988 | F | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.1 | -173.4 | -57.5 | -69.7 | 0 | 0 | 0 | 110.8 | Y975 L977 A978 T986 E1007 W1008 S1017 F1019 I1036 W1072 | Y975-F988 HydrophobicContact CD1-CB 4.24Å; Y975-F988 HydrophobicContact CD1-CD1 4.37Å; Y975-F988 HydrophobicContact CD1-CG 4.46Å; Y975-F988 HydrophobicContact CD2-CB 3.99Å; Y975-F988 AromaticContact CD2-CD1 3.76Å; Y975-F988 HydrophobicContact CD2-CD1 3.76Å; Y975-F988 HydrophobicContact CD2-CG 4.28Å; Y975-F988 AromaticContact CE1-CD1 3.93Å; Y975-F988 HydrophobicContact CE1-CD1 4.1Å; Y975-F988 HydrophobicContact CE1-CE1 4.36Å; Y975-F988 HydrophobicContact CE1-CG 4.43Å; Y975-F988 HydrophobicContact CE2-CB 4.4Å; Y975-F988 AromaticContact CE2-CD1 3.36Å; Y975-F988 HydrophobicContact CE2-CD1 3.36Å; Y975-F988 VanDerWaalsContact CE2-CD1 3.4Å; Y975-F988 AromaticContact CE2-CE1 3.97Å; Y975-F988 HydrophobicContact CE2-CE1 4.01Å; Y975-F988 HydrophobicContact CE2-CG 4.23Å; Y975-F988 HydrophobicContact CG-CB 3.89Å; Y975-F988 HydrophobicContact CG-CD1 4.28Å; Y975-F988 HydrophobicContact CG-CG 4.4Å; Y975-F988 AromaticContact CZ-CD1 3.57Å; Y975-F988 VanDerWaalsContact CZ-CD1 3.43Å; Y975-F988 AromaticContact CZ-CE1 3.85Å; L977-F988 CarbonylContact O-C 3.42Å; L977-F988 WeakPolarHBondContact O-CA 3.32Å; A978-F988 HydrophobicContact CB-CD1 3.93Å; A978-F988 HydrophobicContact CB-CE1 3.86Å; T986-F988 HydrophobicContact CG2-CE1 4.1Å; T986-F988 HydrophobicContact CG2-CE2 4.48Å; T986-F988 HydrophobicContact CG2-CZ 3.86Å; F988-E1007 CarbonylContact O-C 3.51Å; F988-E1007 VanDerWaalsContact O-CA 3.29Å; F988-E1007 WeakPolarHBondContact O-CA 3.38Å; F988-W1008 HydrophobicContact CB-CB 4.13Å; F988-W1008 HydrophobicContact CB-CE3 3.9Å; F988-W1008 HydrophobicContact CD2-CE3 4.34Å; F988-W1008 HydrophobicContact CG-CE3 4.23Å; F988-W1008 PolarHBondContact O-N 3.27Å; F988-S1017 WeakPolarHBondContact CD2-O 3.4Å; F988-S1017 VanDerWaalsContact CE2-O 3.22Å; F988-S1017 WeakPolarHBondContact CE2-O 3.43Å; F988-F1019 HydrophobicContact CE2-CD1 4.18Å; F988-F1019 HydrophobicContact CE2-CE1 4.22Å; F988-F1019 HydrophobicContact CZ-CD1 4.17Å; F988-F1019 AromaticContact CZ-CE1 3.75Å; F988-F1019 HydrophobicContact CZ-CE1 3.75Å; F988-I1036 HydrophobicContact CD1-CD1 4.39Å; F988-I1036 HydrophobicContact CE1-CD1 3.41Å; F988-I1036 HydrophobicContact CE1-CG1 4.49Å; F988-I1036 HydrophobicContact CZ-CD1 3.49Å; F988-W1072 HydrophobicContact CD1-CZ2 4.42Å; F988-W1072 HydrophobicContact CD2-CZ2 4.44Å; F988-W1072 AromaticContact CD2-NE1 3.97Å; F988-W1072 HydrophobicContact CE1-CH2 4.4Å; F988-W1072 AromaticContact CE1-CZ2 3.62Å; F988-W1072 HydrophobicContact CE1-CZ2 3.97Å; F988-W1072 AromaticContact CE2-CD1 3.98Å; F988-W1072 AromaticContact CE2-CE2 3.76Å; F988-W1072 AromaticContact CE2-CZ2 3.94Å; F988-W1072 HydrophobicContact CE2-CZ2 3.94Å; F988-W1072 AromaticContact CE2-NE1 3.23Å; F988-W1072 VanDerWaalsContact CE2-NE1 3.28Å; F988-W1072 HydrophobicContact CZ-CD2 4.41Å; F988-W1072 AromaticContact CZ-CE2 3.72Å; F988-W1072 HydrophobicContact CZ-CH2 4.31Å; F988-W1072 AromaticContact CZ-CZ2 3.58Å; F988-W1072 HydrophobicContact CZ-CZ2 3.58Å; F988-W1072 AromaticContact CZ-NE1 3.67Å; F988-W1072 VanDerWaalsContact CZ-NE1 3.29Å |
| 989 | W | 94.4 | Very high | 87.8 | Confident | 2.5 Ų | 2.5 | 44.8 Ų | 44.8 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.1 | -173.3 | -51.7 | 84.7 | 0 | 0 | 0 | 111.6 | L944 L946 L976 L977 T979 R987 W1005 L1006 E1007 | L944-W989 HydrophobicContact CB-CH2 3.89Å; L944-W989 HydrophobicContact CB-CZ2 4.35Å; L944-W989 HydrophobicContact CB-CZ3 4.08Å; L944-W989 HydrophobicContact CD1-CD2 4.29Å; L944-W989 HydrophobicContact CD1-CE3 4.46Å; L944-W989 HydrophobicContact CD1-CH2 4.39Å; L944-W989 HydrophobicContact CD1-CZ2 4.11Å; L944-W989 HydrophobicContact CD1-CZ3 4.48Å; L944-W989 HydrophobicContact CD2-CD2 4.28Å; L944-W989 HydrophobicContact CD2-CE3 3.87Å; L944-W989 HydrophobicContact CD2-CH2 4.49Å; L944-W989 HydrophobicContact CD2-CZ3 4Å; L944-W989 HydrophobicContact CG-CH2 4.47Å; L944-W989 HydrophobicContact CG-CZ3 4.45Å; L946-W989 HydrophobicContact CD2-CH2 3.94Å; L946-W989 HydrophobicContact CD2-CZ2 3.7Å; L946-W989 HydrophobicContact CG-CH2 4.24Å; L946-W989 HydrophobicContact CG-CZ2 4.27Å; L976-W989 PolarHBondContact N-O 3.07Å; L977-W989 HydrophobicContact CB-CB 4.23Å; L977-W989 PolarHBondContact N-O 3.19Å; L977-W989 PolarHBondContact O-N 2.98Å; T979-W989 VanDerWaalsContact CG2-NE1 3.3Å; T979-W989 PolarHBondContact OG1-NE1 3Å; R987-W989 HydrophobicContact CB-CZ2 4.37Å; W989-W1005 HydrophobicContact CB-CE3 4.06Å; W989-W1005 HydrophobicContact CB-CZ3 4.34Å; W989-L1006 WeakPolarHBondContact CA-O 3.36Å; W989-E1007 HydrophobicContact CE3-CB 4.44Å; W989-E1007 HydrophobicContact CZ3-CB 4.3Å |
| 990 | R | 91.9 | Very high | 86.8 | Confident | 68 Ų | 68 | 46.8 Ų | 46.8 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 157.1 | 170.3 | 70.8 | 171.6 | -175.3 | 150.5 | 5.8 | 110.7 | D837 D992 W1005 L1006 W1008 | D837-R990 IonicContact OD2-CZ 2.88Å; D837-R990 IonicContact OD2-NH1 3.55Å; D837-R990 PolarHBondContact OD2-NH1 3.23Å; R990-D992 IonicContact CZ-OD1 2.78Å; R990-D992 IonicContact CZ-OD2 2.82Å; R990-D992 IonicContact NH1-OD1 3.13Å; R990-D992 PolarHBondContact NH1-OD1 3.13Å; R990-D992 VanDerWaalsContact NH2-CG 3.33Å; R990-D992 IonicContact NH2-OD1 3.25Å; R990-D992 IonicContact NH2-OD2 3.83Å; R990-D992 PolarHBondContact NH2-OD2 2.89Å; R990-W1005 WeakPolarHBondContact O-CA 3.29Å; R990-L1006 HydrophobicContact CG-CD1 4.07Å; R990-L1006 HydrophobicContact CG-CG 4.39Å; R990-L1006 PolarHBondContact N-O 3.22Å; R990-L1006 PolarHBondContact O-N 2.96Å; R990-W1008 HydrophobicContact CB-CB 4.47Å; R990-W1008 HydrophobicContact CG-CB 4.33Å |
| 991 | C | 91.2 | Very high | 86.2 | Confident | 10.25 Ų | 10.25 | 48.8 Ų | 48.8 | 7% | 0.069 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.5 | 169.7 | -169.7 | 0 | 0 | 0 | 0 | 108.1 | V834 L976 W1005 | V834-C991 HydrophobicContact CG1-CB 4.15Å; L976-C991 HydrophobicContact CD1-CB 4.32Å; C991-W1005 HydrophobicContact CB-CD2 4.09Å; C991-W1005 HydrophobicContact CB-CE3 4.34Å; C991-W1005 HydrophobicContact CB-CH2 4.26Å; C991-W1005 HydrophobicContact CB-CZ2 3.98Å; C991-W1005 HydrophobicContact CB-CZ3 4.37Å |
| 992 | D | 88.5 | Confident | 85.8 | Confident | 41.5 Ų | 41.5 | 51.2 Ų | 51.2 | 22% | 0.222 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 131.6 | 170.5 | -165.8 | 20.9 | 0 | 0 | 0 | 108.8 | H839 R990 Y1003 K1004 L1006 | H839-D992 IonicContact CD2-OD1 3.93Å; R990-D992 IonicContact CZ-OD1 2.78Å; R990-D992 IonicContact CZ-OD2 2.82Å; R990-D992 IonicContact NH1-OD1 3.13Å; R990-D992 PolarHBondContact NH1-OD1 3.13Å; R990-D992 VanDerWaalsContact NH2-CG 3.33Å; R990-D992 IonicContact NH2-OD1 3.25Å; R990-D992 IonicContact NH2-OD2 3.83Å; R990-D992 PolarHBondContact NH2-OD2 2.89Å; D992-Y1003 WeakPolarHBondContact O-CA 3.35Å; D992-K1004 WeakPolarHBondContact CB-O 3.41Å; D992-K1004 PolarHBondContact N-O 2.94Å; D992-K1004 PolarHBondContact O-N 3.25Å; D992-L1006 HydrophobicContact CB-CD1 4.12Å; D992-L1006 HydrophobicContact CB-CD2 3.54Å; D992-L1006 HydrophobicContact CB-CG 4.38Å |
| 993 | V | 86.4 | Confident | 85.7 | Confident | 3.75 Ų | 3.75 | 50.6 Ų | 50.6 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 113.7 | -177.8 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | V834 M835 T838 I840 L1001 T1002 Y1003 | V834-V993 HydrophobicContact CG1-CG2 4.3Å; M835-V993 HydrophobicContact CE-CG1 4.2Å; M835-V993 HydrophobicContact SD-CB 4.26Å; M835-V993 HydrophobicContact SD-CG1 4Å; M835-V993 HydrophobicContact SD-CG2 4.13Å; T838-V993 HydrophobicContact CG2-CB 3.72Å; T838-V993 HydrophobicContact CG2-CG1 4.24Å; T838-V993 HydrophobicContact CG2-CG2 4.28Å; I840-V993 HydrophobicContact CD1-CG1 4.5Å; V993-L1001 HydrophobicContact CG1-CB 4.25Å; V993-L1001 HydrophobicContact CG1-CD1 4.2Å; V993-L1001 HydrophobicContact CG1-CD2 3.97Å; V993-L1001 HydrophobicContact CG1-CG 4.45Å; V993-T1002 WeakPolarHBondContact CA-O 3.33Å; V993-Y1003 HydrophobicContact CB-CD1 4.39Å; V993-Y1003 HydrophobicContact CB-CE1 4.47Å; V993-Y1003 HydrophobicContact CG1-CD1 3.99Å; V993-Y1003 HydrophobicContact CG1-CE1 3.78Å; V993-Y1003 HydrophobicContact CG1-CG 4.44Å; V993-Y1003 HydrophobicContact CG2-CD1 3.68Å; V993-Y1003 HydrophobicContact CG2-CE1 3.94Å |
| 994 | S | 83.6 | Confident | 85.7 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.7 | 178.9 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | L1001 T1002 | S994-L1001 CarbonylContact O-C 3.57Å; S994-L1001 WeakPolarHBondContact O-CA 3.39Å; S994-T1002 PolarHBondContact N-O 3.08Å; S994-T1002 PolarHBondContact O-N 3.13Å; S994-T1002 PolarHBondContact O-OG1 3.21Å; S994-T1002 VanDerWaalsContact O-OG1 3.1Å; S994-T1002 PolarHBondContact OG-OG1 3.04Å |
| 995 | M | 78.8 | Confident | 85.7 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 30% | 0.3 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.7 | 171.5 | -129.9 | -173.1 | 80.3 | 0 | 0 | 109.8 | I840 V844 L1001 | I840-M995 HydrophobicContact CD1-CE 4.09Å; I840-M995 HydrophobicContact CD1-CG 4.37Å; I840-M995 HydrophobicContact CG1-CB 4.45Å; I840-M995 HydrophobicContact CG1-CE 4.13Å; I840-M995 HydrophobicContact CG1-CG 4.15Å; I840-M995 HydrophobicContact CG1-SD 4.23Å; I840-M995 HydrophobicContact CG2-CE 3.82Å; I840-M995 HydrophobicContact CG2-CG 4.46Å; I840-M995 HydrophobicContact CG2-SD 4.25Å; V844-M995 HydrophobicContact CB-CE 3.86Å; V844-M995 HydrophobicContact CB-SD 4.24Å; V844-M995 HydrophobicContact CG1-CE 3.67Å; V844-M995 VanDerWaalsContact CG1-CE 3.48Å; V844-M995 HydrophobicContact CG1-SD 3.9Å; V844-M995 VanDerWaalsContact CG1-SD 3.59Å; V844-M995 HydrophobicContact CG2-CE 3.91Å; V844-M995 HydrophobicContact CG2-SD 4.41Å; M995-L1001 HydrophobicContact CB-CD2 4.29Å; M995-L1001 HydrophobicContact CE-CD2 4.14Å; M995-L1001 HydrophobicContact CG-CD2 3.97Å; M995-L1001 HydrophobicContact CG-CG 4.18Å |
| 996 | D | 75.1 | Confident | 85.7 | Confident | 81 Ų | 81 | 50.6 Ų | 50.6 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | trans | -75 | 166.5 | 171.2 | -143 | 8.6 | 0 | 0 | 0 | 110.9 | D998 S999 T1000 T1002 | D996-D998 PolarHBondContact O-N 3.09Å; D996-D998 VanDerWaalsContact O-N 3.11Å; D996-S999 PolarHBondContact O-N 3.22Å; D996-T1000 PolarHBondContact N-O 3.17Å; D996-T1002 HydrophobicContact CB-CG2 4.07Å; D996-T1002 VanDerWaalsContact OD1-CG2 3.3Å; D996-T1002 WeakPolarHBondContact OD1-CG2 3.15Å; D996-T1002 PolarHBondContact OD1-OG1 3.36Å; D996-T1002 WeakPolarHBondContact OD2-CG2 3.37Å | ||
| 997 | K | 73.3 | Confident | 85.5 | Confident | 201.75 Ų | 201.75 | 53.6 Ų | 53.6 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.4 | -178.5 | -64.5 | -178.4 | -178.5 | 177.4 | 0 | 113.2 | S999 | K997-S999 PolarHBondContact O-N 3.07Š|
| 998 | D | 71.7 | Confident | 85.3 | Confident | 133.5 Ų | 133.5 | 53.9 Ų | 53.9 | 71% | 0.714 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 12.2 | 178.6 | -66.7 | -14.1 | 0 | 0 | 0 | 113.3 | D996 T1000 | D996-D998 PolarHBondContact O-N 3.09Å; D996-D998 VanDerWaalsContact O-N 3.11Å; D998-T1000 HydrophobicContact CB-CG2 4.43Å; D998-T1000 PolarHBondContact O-N 2.98Å |
| 999 | S | 71.8 | Confident | 85 | Confident | 69.75 Ų | 69.75 | 62.7 Ų | 62.7 | 49% | 0.488 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 60.3 | 23.1 | -174.8 | -49.4 | 0 | 0 | 0 | 0 | 113.7 | H921 D996 K997 | H921-S999 CarbonylContact C-O 3.57Å; H921-S999 WeakPolarHBondContact CB-O 3.44Å; D996-S999 PolarHBondContact O-N 3.22Å; K997-S999 PolarHBondContact O-N 3.07Å |
| 1000 | T | 74.8 | Confident | 84.5 | Confident | 42.5 Ų | 42.5 | 63.2 Ų | 63.2 | 26% | 0.261 | 31% | 0.31 | S | S | . | . | trans | -93.1 | 134.7 | 172.6 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | D996 D998 | D996-T1000 PolarHBondContact N-O 3.17Å; D998-T1000 HydrophobicContact CB-CG2 4.43Å; D998-T1000 PolarHBondContact O-N 2.98Å | ||
| 1001 | L | 81.9 | Confident | 83.8 | Confident | 43.8 Ų | 43.8 | 66.6 Ų | 66.6 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 129.3 | 174 | -67 | 166.4 | 0 | 0 | 0 | 109.5 | M835 I840 H921 V993 S994 M995 Y1003 | M835-L1001 HydrophobicContact CE-CD1 3.96Å; M835-L1001 HydrophobicContact CE-CD2 4.49Å; I840-L1001 HydrophobicContact CD1-CD2 3.65Å; I840-L1001 HydrophobicContact CG1-CD2 4.34Å; H921-L1001 HydrophobicContact CB-CG 4.11Å; H921-L1001 VanDerWaalsContact CD2-CD1 3.43Å; H921-L1001 WeakPolarHBondContact CD2-CD1 3.47Å; H921-L1001 VanDerWaalsContact CE1-CD1 3.42Å; H921-L1001 WeakPolarHBondContact CE1-CD1 3.41Å; H921-L1001 VanDerWaalsContact NE2-CD1 3.3Å; H921-L1001 WeakPolarHBondContact NE2-CD1 3.2Å; V993-L1001 HydrophobicContact CG1-CB 4.25Å; V993-L1001 HydrophobicContact CG1-CD1 4.2Å; V993-L1001 HydrophobicContact CG1-CD2 3.97Å; V993-L1001 HydrophobicContact CG1-CG 4.45Å; S994-L1001 CarbonylContact O-C 3.57Å; S994-L1001 WeakPolarHBondContact O-CA 3.39Å; M995-L1001 HydrophobicContact CB-CD2 4.29Å; M995-L1001 HydrophobicContact CE-CD2 4.14Å; M995-L1001 HydrophobicContact CG-CD2 3.97Å; M995-L1001 HydrophobicContact CG-CG 4.18Å; L1001-Y1003 HydrophobicContact CB-CD2 4.46Å; L1001-Y1003 HydrophobicContact CB-CE2 3.66Å; L1001-Y1003 WeakPolarHBondContact O-CD2 3.3Å; L1001-Y1003 WeakPolarHBondContact O-CE2 3.43Å |
| 1002 | T | 84.9 | Confident | 83.1 | Confident | 49.8 Ų | 49.8 | 68.6 Ų | 68.6 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.1 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 109 | V993 S994 D996 | V993-T1002 WeakPolarHBondContact CA-O 3.33Å; S994-T1002 PolarHBondContact N-O 3.08Å; S994-T1002 PolarHBondContact O-N 3.13Å; S994-T1002 PolarHBondContact O-OG1 3.21Å; S994-T1002 VanDerWaalsContact O-OG1 3.1Å; S994-T1002 PolarHBondContact OG-OG1 3.04Å; D996-T1002 HydrophobicContact CB-CG2 4.07Å; D996-T1002 VanDerWaalsContact OD1-CG2 3.3Å; D996-T1002 WeakPolarHBondContact OD1-CG2 3.15Å; D996-T1002 PolarHBondContact OD1-OG1 3.36Å; D996-T1002 WeakPolarHBondContact OD2-CG2 3.37Å |
| 1003 | Y | 89.1 | Confident | 82.2 | Confident | 25.2 Ų | 25.2 | 74.5 Ų | 74.5 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.4 | -171.2 | -58.8 | -101.6 | 0 | 0 | 0 | 109.1 | M835 Y870 M889 V939 C940 D992 V993 L1001 | M835-Y1003 HydrophobicContact CE-CE1 4.2Å; Y870-Y1003 HydrophobicContact CE1-CD1 4.49Å; Y870-Y1003 AromaticContact CE1-CE1 3.67Å; Y870-Y1003 HydrophobicContact CE1-CE1 3.67Å; Y870-Y1003 AromaticContact CE1-CZ 3.94Å; Y870-Y1003 AromaticContact CZ-CE1 3.75Å; Y870-Y1003 WeakPolarHBondContact OH-CE1 3.02Å; Y870-Y1003 PolarHBondContact OH-OH 3.12Å; Y870-Y1003 VanDerWaalsContact OH-OH 3.06Å; M889-Y1003 HydrophobicContact CE-CD1 3.64Å; M889-Y1003 HydrophobicContact CE-CE1 4.1Å; M889-Y1003 HydrophobicContact CE-CG 3.64Å; M889-Y1003 HydrophobicContact SD-CD1 4.46Å; V939-Y1003 HydrophobicContact CB-CD2 3.84Å; V939-Y1003 HydrophobicContact CB-CE2 3.7Å; V939-Y1003 HydrophobicContact CG1-CD1 4.41Å; V939-Y1003 HydrophobicContact CG1-CD2 3.2Å; V939-Y1003 HydrophobicContact CG1-CE1 4.32Å; V939-Y1003 HydrophobicContact CG1-CE2 3.4Å; V939-Y1003 HydrophobicContact CG1-CG 3.89Å; V939-Y1003 HydrophobicContact CG2-CD2 4.05Å; V939-Y1003 HydrophobicContact CG2-CE2 4.06Å; C940-Y1003 PolarHBondContact SG-O 3.09Å; D992-Y1003 WeakPolarHBondContact O-CA 3.35Å; V993-Y1003 HydrophobicContact CB-CD1 4.39Å; V993-Y1003 HydrophobicContact CB-CE1 4.47Å; V993-Y1003 HydrophobicContact CG1-CD1 3.99Å; V993-Y1003 HydrophobicContact CG1-CE1 3.78Å; V993-Y1003 HydrophobicContact CG1-CG 4.44Å; V993-Y1003 HydrophobicContact CG2-CD1 3.68Å; V993-Y1003 HydrophobicContact CG2-CE1 3.94Å; L1001-Y1003 HydrophobicContact CB-CD2 4.46Å; L1001-Y1003 HydrophobicContact CB-CE2 3.66Å; L1001-Y1003 WeakPolarHBondContact O-CD2 3.3Å; L1001-Y1003 WeakPolarHBondContact O-CE2 3.43Å |
| 1004 | K | 90.9 | Very high | 81.5 | Confident | 113.4 Ų | 113.4 | 83 Ų | 83 | 49% | 0.493 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126 | 179.4 | -168.6 | -179.2 | -177.8 | -173.2 | 0 | 110.3 | D992 L1006 | D992-K1004 WeakPolarHBondContact CB-O 3.41Å; D992-K1004 PolarHBondContact N-O 2.94Å; D992-K1004 PolarHBondContact O-N 3.25Å; K1004-L1006 HydrophobicContact CB-CD2 4.45Å; K1004-L1006 HydrophobicContact CD-CD1 4.36Å; K1004-L1006 HydrophobicContact CD-CD2 4.03Å; K1004-L1006 HydrophobicContact CD-CG 4.27Å; K1004-L1006 HydrophobicContact CG-CD2 4.19Å; K1004-L1006 HydrophobicContact CG-CG 4.2Å |
| 1005 | W | 93.3 | Very high | 81.2 | Confident | 3 Ų | 3 | 81.3 Ų | 81.3 | 1% | 0.011 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.8 | 173.9 | -70.6 | 78.1 | 0 | 0 | 0 | 109.8 | V872 I887 M889 Q942 L944 L976 L977 W989 R990 C991 | V872-W1005 HydrophobicContact CB-CZ2 4.43Å; V872-W1005 HydrophobicContact CG1-CH2 4.11Å; V872-W1005 HydrophobicContact CG1-CZ2 3.78Å; V872-W1005 HydrophobicContact CG2-CH2 4.29Å; V872-W1005 HydrophobicContact CG2-CZ2 3.77Å; I887-W1005 HydrophobicContact CD1-CD2 3.56Å; I887-W1005 HydrophobicContact CD1-CE3 3.85Å; I887-W1005 HydrophobicContact CD1-CG 4.03Å; I887-W1005 HydrophobicContact CD1-CH2 4.17Å; I887-W1005 HydrophobicContact CD1-CZ2 3.91Å; I887-W1005 HydrophobicContact CD1-CZ3 4.14Å; I887-W1005 HydrophobicContact CG1-CD2 4.47Å; I887-W1005 HydrophobicContact CG2-CB 4.2Å; I887-W1005 HydrophobicContact CG2-CD2 4.43Å; I887-W1005 HydrophobicContact CG2-CG 3.88Å; M889-W1005 HydrophobicContact CE-CZ2 4.24Å; M889-W1005 HydrophobicContact SD-CZ2 4.07Å; M889-W1005 PolarHBondContact SD-NE1 2.85Å; M889-W1005 VanDerWaalsContact SD-NE1 3.44Å; Q942-W1005 VanDerWaalsContact CD-N 3.35Å; Q942-W1005 HydrophobicContact CG-CB 4.33Å; Q942-W1005 VanDerWaalsContact NE2-CA 3.26Å; Q942-W1005 VanDerWaalsContact NE2-CB 3.29Å; Q942-W1005 PolarHBondContact NE2-O 3.31Å; Q942-W1005 VanDerWaalsContact OE1-N 3.1Å; L944-W1005 HydrophobicContact CD2-CB 4.24Å; L976-W1005 HydrophobicContact CB-CH2 4.19Å; L976-W1005 HydrophobicContact CB-CZ3 4.18Å; L976-W1005 HydrophobicContact CD1-CH2 3.88Å; L976-W1005 HydrophobicContact CD1-CZ3 4.34Å; L977-W1005 HydrophobicContact CD1-CE3 4.43Å; L977-W1005 HydrophobicContact CD1-CH2 3.99Å; L977-W1005 HydrophobicContact CD1-CZ3 3.75Å; L977-W1005 HydrophobicContact CG-CH2 4.26Å; L977-W1005 HydrophobicContact CG-CZ3 3.99Å; W989-W1005 HydrophobicContact CB-CE3 4.06Å; W989-W1005 HydrophobicContact CB-CZ3 4.34Å; R990-W1005 WeakPolarHBondContact O-CA 3.29Å; C991-W1005 HydrophobicContact CB-CD2 4.09Å; C991-W1005 HydrophobicContact CB-CE3 4.34Å; C991-W1005 HydrophobicContact CB-CH2 4.26Å; C991-W1005 HydrophobicContact CB-CZ2 3.98Å; C991-W1005 HydrophobicContact CB-CZ3 4.37Å |
| 1006 | L | 92.5 | Very high | 81.3 | Confident | 47.6 Ų | 47.6 | 83.8 Ų | 83.8 | 25% | 0.249 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152 | -177.3 | -51.5 | 162.5 | 0 | 0 | 0 | 109.7 | W989 R990 D992 K1004 W1008 | W989-L1006 WeakPolarHBondContact CA-O 3.36Å; R990-L1006 HydrophobicContact CG-CD1 4.07Å; R990-L1006 HydrophobicContact CG-CG 4.39Å; R990-L1006 PolarHBondContact N-O 3.22Å; R990-L1006 PolarHBondContact O-N 2.96Å; D992-L1006 HydrophobicContact CB-CD1 4.12Å; D992-L1006 HydrophobicContact CB-CD2 3.54Å; D992-L1006 HydrophobicContact CB-CG 4.38Å; K1004-L1006 HydrophobicContact CB-CD2 4.45Å; K1004-L1006 HydrophobicContact CD-CD1 4.36Å; K1004-L1006 HydrophobicContact CD-CD2 4.03Å; K1004-L1006 HydrophobicContact CD-CG 4.27Å; K1004-L1006 HydrophobicContact CG-CD2 4.19Å; K1004-L1006 HydrophobicContact CG-CG 4.2Å; L1006-W1008 PolarHBondContact O-N 3.23Å |
| 1007 | E | 92.2 | Very high | 82 | Confident | 64.8 Ų | 64.8 | 80 Ų | 80 | 30% | 0.303 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 125.7 | 168.6 | -171.5 | 165.9 | -163.7 | 0 | 0 | 108.7 | R987 F988 W989 | R987-E1007 WeakPolarHBondContact CB-OE1 3.21Å; R987-E1007 VanDerWaalsContact CD-OE1 3.26Å; R987-E1007 WeakPolarHBondContact CD-OE1 3.41Å; R987-E1007 WeakPolarHBondContact CG-OE1 3.4Å; R987-E1007 IonicContact NE-OE1 3.19Å; F988-E1007 CarbonylContact O-C 3.51Å; F988-E1007 VanDerWaalsContact O-CA 3.29Å; F988-E1007 WeakPolarHBondContact O-CA 3.38Å; W989-E1007 HydrophobicContact CE3-CB 4.44Å; W989-E1007 HydrophobicContact CZ3-CB 4.3Å |
| 1008 | W | 90.8 | Very high | 82.8 | Confident | 16.6 Ų | 16.6 | 71.2 Ų | 71.2 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | trans | -66 | 146.9 | 176 | 172.6 | 64.8 | 0 | 0 | 0 | 109.5 | P974 Y975 F988 R990 L1006 M1010 S1017 W1072 | P974-W1008 HydrophobicContact CB-CD2 4.47Å; P974-W1008 HydrophobicContact CB-CZ2 3.76Å; P974-W1008 HydrophobicContact CG-CH2 4.41Å; P974-W1008 HydrophobicContact CG-CZ2 4.15Å; P974-W1008 VanDerWaalsContact O-CD1 3.27Å; P974-W1008 PolarHBondContact O-NE1 3.01Å; Y975-W1008 AromaticContact CD1-CD2 3.89Å; Y975-W1008 HydrophobicContact CD1-CD2 3.89Å; Y975-W1008 AromaticContact CD1-CE3 3.58Å; Y975-W1008 HydrophobicContact CD1-CE3 3.58Å; Y975-W1008 VanDerWaalsContact CD1-CE3 3.47Å; Y975-W1008 HydrophobicContact CD1-CG 4.45Å; Y975-W1008 HydrophobicContact CD1-CH2 4.41Å; Y975-W1008 AromaticContact CD1-CZ3 3.86Å; Y975-W1008 HydrophobicContact CD1-CZ3 3.86Å; Y975-W1008 HydrophobicContact CE1-CE3 4.16Å; Y975-W1008 HydrophobicContact CE1-CH2 4.49Å; Y975-W1008 AromaticContact CE1-CZ3 3.94Å; Y975-W1008 HydrophobicContact CE1-CZ3 4.02Å; Y975-W1008 HydrophobicContact CG-CD2 4.48Å; Y975-W1008 HydrophobicContact CG-CE3 4.33Å; F988-W1008 HydrophobicContact CB-CB 4.13Å; F988-W1008 HydrophobicContact CB-CE3 3.9Å; F988-W1008 HydrophobicContact CD2-CE3 4.34Å; F988-W1008 HydrophobicContact CG-CE3 4.23Å; F988-W1008 PolarHBondContact O-N 3.27Å; R990-W1008 HydrophobicContact CB-CB 4.47Å; R990-W1008 HydrophobicContact CG-CB 4.33Å; L1006-W1008 PolarHBondContact O-N 3.23Å; W1008-M1010 HydrophobicContact CE3-CG 4.43Å; W1008-M1010 HydrophobicContact CH2-CB 4.43Å; W1008-M1010 HydrophobicContact CH2-CE 3.88Å; W1008-M1010 HydrophobicContact CH2-CG 3.74Å; W1008-M1010 VanDerWaalsContact CH2-CG 3.45Å; W1008-M1010 HydrophobicContact CH2-SD 3.99Å; W1008-M1010 WeakPolarHBondContact CH2-SD 3.39Å; W1008-M1010 HydrophobicContact CZ2-CG 4.21Å; W1008-M1010 HydrophobicContact CZ2-SD 4.1Å; W1008-M1010 HydrophobicContact CZ3-CE 3.81Å; W1008-M1010 HydrophobicContact CZ3-CG 3.89Å; W1008-M1010 HydrophobicContact CZ3-SD 4.19Å; W1008-S1017 VanDerWaalsContact O-CB 3.24Å; W1008-S1017 WeakPolarHBondContact O-CB 3.33Å; W1008-S1017 PolarHBondContact O-OG 3.22Å; W1008-W1072 HydrophobicContact CZ3-CZ2 4.43Å | ||
| 1009 | R | 87.9 | Confident | 83.8 | Confident | 185.6 Ų | 185.6 | 65.9 Ų | 65.9 | 70% | 0.7 | 32% | 0.317 | S | S | * | . | trans | -120.8 | 138 | 178.9 | -65.6 | -172.3 | 177.5 | -179.8 | -3.2 | 109.2 | G1015 | R1009-G1015 VanDerWaalsContact CA-O 3.3Å; R1009-G1015 WeakPolarHBondContact CA-O 3.4Å; R1009-G1015 VanDerWaalsContact CB-O 3.29Å; R1009-G1015 WeakPolarHBondContact CB-O 3.41Å; R1009-G1015 VanDerWaalsContact CG-O 3.23Å; R1009-G1015 WeakPolarHBondContact CG-O 3.34Å | ||
| 1010 | M | 84.4 | Confident | 84.8 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | trans | -70.2 | 163.1 | 175 | -75.3 | -153.3 | -154.4 | 0 | 0 | 110.9 | W1008 N1012 E1016 C1064 G1069 I1070 W1072 | W1008-M1010 HydrophobicContact CE3-CG 4.43Å; W1008-M1010 HydrophobicContact CH2-CB 4.43Å; W1008-M1010 HydrophobicContact CH2-CE 3.88Å; W1008-M1010 HydrophobicContact CH2-CG 3.74Å; W1008-M1010 VanDerWaalsContact CH2-CG 3.45Å; W1008-M1010 HydrophobicContact CH2-SD 3.99Å; W1008-M1010 WeakPolarHBondContact CH2-SD 3.39Å; W1008-M1010 HydrophobicContact CZ2-CG 4.21Å; W1008-M1010 HydrophobicContact CZ2-SD 4.1Å; W1008-M1010 HydrophobicContact CZ3-CE 3.81Å; W1008-M1010 HydrophobicContact CZ3-CG 3.89Å; W1008-M1010 HydrophobicContact CZ3-SD 4.19Å; M1010-N1012 VanDerWaalsContact CB-OD1 3.22Å; M1010-N1012 WeakPolarHBondContact CB-OD1 3.37Å; M1010-N1012 CarbonylContact O-C 3.51Å; M1010-N1012 PolarHBondContact O-N 3.12Å; M1010-N1012 PolarHBondContact O-OD1 3.33Å; M1010-E1016 WeakPolarHBondContact CE-O 3.13Å; M1010-C1064 HydrophobicContact CE-CB 4Å; M1010-G1069 VanDerWaalsContact CB-O 3.28Å; M1010-G1069 WeakPolarHBondContact CB-O 3.25Å; M1010-G1069 WeakPolarHBondContact CG-O 3.33Å; M1010-I1070 VanDerWaalsContact SD-O 3.38Å; M1010-W1072 HydrophobicContact CE-CD2 4Å; M1010-W1072 HydrophobicContact CE-CG 3.97Å; M1010-W1072 HydrophobicContact CE-CZ2 4.21Å | ||
| 1011 | F | 76.9 | Confident | 85.5 | Confident | 140.6 Ų | 140.6 | 66.7 Ų | 66.7 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -73.1 | 20.6 | 178.3 | -85.5 | -83.3 | 0 | 0 | 0 | 112.8 | E1013 G1069 I1070 A1927 | F1011-E1013 PolarHBondContact O-N 3.02Å; F1011-E1013 VanDerWaalsContact O-N 3.17Å; F1011-G1069 PolarHBondContact N-O 3.26Å; F1011-I1070 HydrophobicContact CB-CG1 4.13Å; F1011-I1070 HydrophobicContact CB-CG2 4.38Å; F1011-A1927 WeakPolarHBondContact O-CB 3.39Å |
| 1012 | N | 76.3 | Confident | 85.8 | Confident | 50.4 Ų | 50.4 | 72.6 Ų | 72.6 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -97.6 | 148.5 | 173.7 | 57.3 | 12.6 | 0 | 0 | 0 | 110.6 | M1010 F1014 G1015 E1016 I1070 | M1010-N1012 VanDerWaalsContact CB-OD1 3.22Å; M1010-N1012 WeakPolarHBondContact CB-OD1 3.37Å; M1010-N1012 CarbonylContact O-C 3.51Å; M1010-N1012 PolarHBondContact O-N 3.12Å; M1010-N1012 PolarHBondContact O-OD1 3.33Å; N1012-F1014 VanDerWaalsContact C-N 3.28Å; N1012-F1014 PolarHBondContact O-N 2.98Å; N1012-F1014 PolarHBondContact OD1-N 3.01Å; N1012-G1015 PolarHBondContact O-N 3.08Å; N1012-G1015 VanDerWaalsContact O-N 3.09Å; N1012-G1015 VanDerWaalsContact OD1-C 3.28Å; N1012-G1015 VanDerWaalsContact OD1-CA 3.25Å; N1012-G1015 WeakPolarHBondContact OD1-CA 3.35Å; N1012-G1015 PolarHBondContact OD1-N 3.28Å; N1012-E1016 PolarHBondContact ND2-O 3.31Å; N1012-E1016 PolarHBondContact OD1-N 3.21Å; N1012-I1070 HydrophobicContact CB-CG2 4Å; N1012-I1070 WeakPolarHBondContact CB-O 3.36Å; N1012-I1070 PolarHBondContact ND2-O 3.05Å; N1012-I1070 VanDerWaalsContact ND2-O 3.07Å |
| 1013 | E | 69.6 | Low | 86 | Confident | 165.4 Ų | 165.4 | 71.1 Ų | 71.1 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -60.4 | -23.9 | -178.1 | -63.3 | -172.1 | 161.6 | 0 | 0 | 113.5 | F1011 | F1011-E1013 PolarHBondContact O-N 3.02Å; F1011-E1013 VanDerWaalsContact O-N 3.17Å |
| 1014 | F | 72.5 | Confident | 86.1 | Confident | 182.6 Ų | 182.6 | 72.4 Ų | 72.4 | 80% | 0.801 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -95.2 | -13.7 | -178.4 | -57.2 | -72 | 0 | 0 | 0 | 114.2 | N1012 E1016 | N1012-F1014 VanDerWaalsContact C-N 3.28Å; N1012-F1014 PolarHBondContact O-N 2.98Å; N1012-F1014 PolarHBondContact OD1-N 3.01Å; F1014-E1016 HydrophobicContact CB-CB 4.42Å; F1014-E1016 PolarHBondContact O-N 3.27Å |
| 1015 | G | 75.5 | Confident | 86.1 | Confident | 17.6 Ų | 17.6 | 67.2 Ų | 67.2 | 18% | 0.181 | 32% | 0.322 | C | S | . | . | trans | 39.2 | 47.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1009 N1012 | R1009-G1015 VanDerWaalsContact CA-O 3.3Å; R1009-G1015 WeakPolarHBondContact CA-O 3.4Å; R1009-G1015 VanDerWaalsContact CB-O 3.29Å; R1009-G1015 WeakPolarHBondContact CB-O 3.41Å; R1009-G1015 VanDerWaalsContact CG-O 3.23Å; R1009-G1015 WeakPolarHBondContact CG-O 3.34Å; N1012-G1015 PolarHBondContact O-N 3.08Å; N1012-G1015 VanDerWaalsContact O-N 3.09Å; N1012-G1015 VanDerWaalsContact OD1-C 3.28Å; N1012-G1015 VanDerWaalsContact OD1-CA 3.25Å; N1012-G1015 WeakPolarHBondContact OD1-CA 3.35Å; N1012-G1015 PolarHBondContact OD1-N 3.28Å | ||
| 1016 | E | 82.4 | Confident | 86 | Confident | 112.4 Ų | 112.4 | 67.6 Ų | 67.6 | 53% | 0.525 | 32% | 0.324 | S | S | . | . | trans | -73.9 | 129 | 173.3 | -131.8 | 178.4 | 179.7 | 0 | 0 | 109.5 | R985 M1010 N1012 F1014 S1018 | R985-E1016 IonicContact CZ-OE1 3.6Å; R985-E1016 IonicContact CZ-OE2 3.3Å; R985-E1016 IonicContact NH1-OE1 3.49Å; R985-E1016 PolarHBondContact NH1-OE1 2.99Å; R985-E1016 IonicContact NH1-OE2 3.67Å; R985-E1016 PolarHBondContact NH1-OE2 2.95Å; R985-E1016 IonicContact NH2-OE1 2.98Å; R985-E1016 IonicContact NH2-OE2 3.01Å; M1010-E1016 WeakPolarHBondContact CE-O 3.13Å; N1012-E1016 PolarHBondContact ND2-O 3.31Å; N1012-E1016 PolarHBondContact OD1-N 3.21Å; F1014-E1016 HydrophobicContact CB-CB 4.42Å; F1014-E1016 PolarHBondContact O-N 3.27Å; E1016-S1018 VanDerWaalsContact C-N 3.27Å; E1016-S1018 PolarHBondContact OE1-OG 2.93Å | ||
| 1017 | S | 88.3 | Confident | 86.1 | Confident | 2.4 Ų | 2.4 | 67.9 Ų | 67.9 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | trans | -93.8 | -19.2 | 175.5 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | F988 W1008 W1072 | F988-S1017 WeakPolarHBondContact CD2-O 3.4Å; F988-S1017 VanDerWaalsContact CE2-O 3.22Å; F988-S1017 WeakPolarHBondContact CE2-O 3.43Å; W1008-S1017 VanDerWaalsContact O-CB 3.24Å; W1008-S1017 WeakPolarHBondContact O-CB 3.33Å; W1008-S1017 PolarHBondContact O-OG 3.22Å; S1017-W1072 VanDerWaalsContact O-CD1 3.26Å; S1017-W1072 PolarHBondContact O-NE1 3.06Å; S1017-W1072 VanDerWaalsContact O-NE1 3.08Å | ||
| 1018 | S | 91.6 | Very high | 86.2 | Confident | 16.8 Ų | 16.8 | 65 Ų | 65 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | trans | -73.3 | 144 | -177.7 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | R985 T986 E1016 | R985-S1018 PolarHBondContact NH1-OG 3.4Å; T986-S1018 WeakPolarHBondContact O-CA 3.33Å; T986-S1018 VanDerWaalsContact O-CB 3.26Å; T986-S1018 WeakPolarHBondContact O-CB 3.27Å; E1016-S1018 VanDerWaalsContact C-N 3.27Å; E1016-S1018 PolarHBondContact OE1-OG 2.93Å | ||
| 1019 | F | 92.7 | Very high | 86.4 | Confident | 21.8 Ų | 21.8 | 64.8 Ų | 64.8 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 152.9 | 169.3 | 67 | -94.7 | 0 | 0 | 0 | 110.6 | R985 T986 F988 V1021 I1036 C1038 H1062 W1072 | R985-F1019 WeakPolarHBondContact CA-O 3.37Å; T986-F1019 VanDerWaalsContact CB-CE1 3.48Å; T986-F1019 HydrophobicContact CG2-CE1 4.15Å; T986-F1019 HydrophobicContact CG2-CZ 4.1Å; T986-F1019 PolarHBondContact N-O 2.99Å; T986-F1019 PolarHBondContact O-N 2.9Å; F988-F1019 HydrophobicContact CE2-CD1 4.18Å; F988-F1019 HydrophobicContact CE2-CE1 4.22Å; F988-F1019 HydrophobicContact CZ-CD1 4.17Å; F988-F1019 AromaticContact CZ-CE1 3.75Å; F988-F1019 HydrophobicContact CZ-CE1 3.75Å; F1019-V1021 HydrophobicContact CD2-CG1 4.36Å; F1019-V1021 HydrophobicContact CD2-CG2 4.26Å; F1019-V1021 HydrophobicContact CE2-CG1 4.11Å; F1019-V1021 HydrophobicContact CE2-CG2 4Å; F1019-I1036 HydrophobicContact CD1-CD1 4.34Å; F1019-I1036 HydrophobicContact CE1-CD1 3.82Å; F1019-I1036 HydrophobicContact CE1-CG1 4.48Å; F1019-I1036 HydrophobicContact CZ-CD1 3.45Å; F1019-I1036 VanDerWaalsContact CZ-CD1 3.45Å; F1019-I1036 HydrophobicContact CZ-CG1 4.34Å; F1019-I1036 HydrophobicContact CZ-CG2 4.43Å; F1019-C1038 HydrophobicContact CE2-CB 4.35Å; F1019-C1038 HydrophobicContact CZ-CB 4.39Å; F1019-H1062 AromaticContact CD2-CE1 3.72Å; F1019-H1062 AromaticContact CD2-ND1 3.96Å; F1019-H1062 AromaticContact CD2-NE2 3.9Å; F1019-H1062 HydrophobicContact CE1-CB 4.31Å; F1019-H1062 AromaticContact CE2-CD2 3.5Å; F1019-H1062 VanDerWaalsContact CE2-CD2 3.46Å; F1019-H1062 WeakPolarHBondContact CE2-CD2 3.33Å; F1019-H1062 AromaticContact CE2-CE1 3.71Å; F1019-H1062 VanDerWaalsContact CE2-CE1 3.46Å; F1019-H1062 WeakPolarHBondContact CE2-CE1 3.45Å; F1019-H1062 AromaticContact CE2-CG 3.84Å; F1019-H1062 AromaticContact CE2-ND1 3.62Å; F1019-H1062 AromaticContact CE2-NE2 3.39Å; F1019-H1062 VanDerWaalsContact CE2-NE2 3.32Å; F1019-H1062 WeakPolarHBondContact CE2-NE2 3.32Å; F1019-H1062 HydrophobicContact CZ-CB 4.23Å; F1019-H1062 AromaticContact CZ-CD2 3.66Å; F1019-H1062 AromaticContact CZ-CG 3.76Å; F1019-H1062 AromaticContact CZ-ND1 3.66Å; F1019-H1062 AromaticContact CZ-NE2 3.98Å; F1019-W1072 HydrophobicContact CD1-CB 4.19Å; F1019-W1072 AromaticContact CD1-CD1 3.67Å; F1019-W1072 VanDerWaalsContact CD1-CD1 3.42Å; F1019-W1072 HydrophobicContact CD1-CD2 4.22Å; F1019-W1072 AromaticContact CD1-CG 3.76Å; F1019-W1072 HydrophobicContact CD1-CG 3.83Å; F1019-W1072 AromaticContact CD1-NE1 3.92Å; F1019-W1072 HydrophobicContact CE1-CB 4.35Å; F1019-W1072 AromaticContact CE1-CD1 3.99Å; F1019-W1072 HydrophobicContact CE1-CD2 4.21Å; F1019-W1072 AromaticContact CE1-CG 3.88Å; F1019-W1072 HydrophobicContact CE1-CG 4.09Å; F1019-W1072 HydrophobicContact CG-CB 4.34Å; F1019-W1072 HydrophobicContact CG-CG 4.46Å |
| 1020 | E | 92.2 | Very high | 86.7 | Confident | 118.8 Ų | 118.8 | 56.2 Ų | 56.2 | 56% | 0.555 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 147 | -178.4 | -168.3 | 170.9 | 153.4 | 0 | 0 | 109.9 | R985 | R985-E1020 HydrophobicContact CG-CB 3.98Å; R985-E1020 HydrophobicContact CG-CG 4.12Å; R985-E1020 IonicContact CZ-OE2 3.41Å; R985-E1020 VanDerWaalsContact CZ-OE2 3.3Å; R985-E1020 IonicContact NE-OE2 3.01Å; R985-E1020 PolarHBondContact NE-OE2 3.33Å; R985-E1020 VanDerWaalsContact NE-OE2 3.07Å; R985-E1020 IonicContact NH2-OE2 3.35Å; R985-E1020 PolarHBondContact NH2-OE2 3.27Å |
| 1021 | V | 90 | Very high | 86.9 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | trans | -112.2 | 149.7 | -179.9 | -154 | 0 | 0 | 0 | 0 | 110 | D984 F1019 G1023 V1025 C1038 F1040 T1060 | D984-V1021 PolarHBondContact O-N 3.1Å; D984-V1021 VanDerWaalsContact O-N 3.12Å; F1019-V1021 HydrophobicContact CD2-CG1 4.36Å; F1019-V1021 HydrophobicContact CD2-CG2 4.26Å; F1019-V1021 HydrophobicContact CE2-CG1 4.11Å; F1019-V1021 HydrophobicContact CE2-CG2 4Å; V1021-G1023 PolarHBondContact O-N 3.32Å; V1021-V1025 HydrophobicContact CB-CG2 4.17Å; V1021-V1025 HydrophobicContact CG2-CB 4.49Å; V1021-V1025 HydrophobicContact CG2-CG2 3.96Å; V1021-C1038 HydrophobicContact CG1-CB 4.16Å; V1021-C1038 HydrophobicContact CG2-CB 4.33Å; V1021-F1040 HydrophobicContact CB-CB 4.41Å; V1021-F1040 HydrophobicContact CB-CD1 4.23Å; V1021-F1040 HydrophobicContact CB-CD2 4.49Å; V1021-F1040 HydrophobicContact CB-CE1 4.42Å; V1021-F1040 HydrophobicContact CB-CG 4.35Å; V1021-F1040 HydrophobicContact CG1-CB 3.9Å; V1021-F1040 HydrophobicContact CG1-CD1 3.43Å; V1021-F1040 HydrophobicContact CG1-CD2 3.7Å; V1021-F1040 HydrophobicContact CG1-CE1 3.44Å; V1021-F1040 VanDerWaalsContact CG1-CE1 3.44Å; V1021-F1040 HydrophobicContact CG1-CE2 3.89Å; V1021-F1040 HydrophobicContact CG1-CG 3.33Å; V1021-F1040 HydrophobicContact CG1-CZ 3.75Å; V1021-F1040 HydrophobicContact CG2-CB 3.73Å; V1021-F1040 HydrophobicContact CG2-CD1 4.26Å; V1021-F1040 HydrophobicContact CG2-CD2 4.44Å; V1021-F1040 HydrophobicContact CG2-CG 3.91Å; V1021-T1060 HydrophobicContact CG1-CG2 4.33Å | ||
| 1022 | E | 88.3 | Confident | 87.5 | Confident | 168.2 Ų | 168.2 | 49.4 Ų | 49.4 | 79% | 0.786 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -75.4 | 54.4 | -178.6 | -60.2 | -172.1 | 157.5 | 0 | 0 | 113.2 | F1040 | E1022-F1040 HydrophobicContact CB-CE2 4.31Å; E1022-F1040 WeakPolarHBondContact O-CD2 3.38Å; E1022-F1040 VanDerWaalsContact O-CE2 3.27Å; E1022-F1040 WeakPolarHBondContact O-CE2 3.32Å |
| 1023 | G | 88.1 | Confident | 88 | Confident | 17.2 Ų | 17.2 | 47.6 Ų | 47.6 | 18% | 0.177 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 154.5 | -174 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D984 V1021 V1025 D1041 | D984-G1023 VanDerWaalsContact CB-O 3.31Å; D984-G1023 WeakPolarHBondContact CB-O 3.39Å; D984-G1023 VanDerWaalsContact CG-O 3.24Å; V1021-G1023 PolarHBondContact O-N 3.32Å; G1023-V1025 PolarHBondContact O-N 3.37Å; G1023-D1041 CarbonylContact C-O 3.53Å; G1023-D1041 VanDerWaalsContact CA-O 3.28Å; G1023-D1041 WeakPolarHBondContact CA-O 3.33Å |
| 1024 | S | 90.8 | Very high | 88.9 | Confident | 52.8 Ų | 52.8 | 39.9 Ų | 39.9 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.9 | -171.6 | 60.8 | 0 | 0 | 0 | 0 | 112 | D984 L1026 F1040 D1041 | D984-S1024 VanDerWaalsContact OD1-CA 3.28Å; D984-S1024 WeakPolarHBondContact OD1-CA 3.39Å; S1024-L1026 PolarHBondContact O-N 3.03Å; S1024-F1040 CarbonylContact O-C 3.49Å; S1024-F1040 VanDerWaalsContact O-CA 3.25Å; S1024-F1040 WeakPolarHBondContact O-CA 3.32Å; S1024-F1040 WeakPolarHBondContact O-CB 3.36Å; S1024-D1041 PolarHBondContact N-O 3.04Å; S1024-D1041 PolarHBondContact O-N 3.13Å; S1024-D1041 WeakPolarHBondContact OG-CB 3.24Å |
| 1025 | V | 92.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.9 | -174 | 180 | 0 | 0 | 0 | 0 | 111.4 | I953 A980 D984 V1021 G1023 C1038 | I953-V1025 VanDerWaalsContact CD1-O 3.3Å; I953-V1025 WeakPolarHBondContact CD1-O 3.34Å; A980-V1025 HydrophobicContact CB-CB 4.46Å; A980-V1025 HydrophobicContact CB-CG1 3.41Å; D984-V1025 HydrophobicContact CB-CG2 4.15Å; D984-V1025 WeakPolarHBondContact O-CG2 3.15Å; D984-V1025 PolarHBondContact OD1-N 2.96Å; D984-V1025 VanDerWaalsContact OD1-N 3.1Å; V1021-V1025 HydrophobicContact CB-CG2 4.17Å; V1021-V1025 HydrophobicContact CG2-CB 4.49Å; V1021-V1025 HydrophobicContact CG2-CG2 3.96Å; G1023-V1025 PolarHBondContact O-N 3.37Å; V1025-C1038 VanDerWaalsContact CG1-SG 3.56Å |
| 1026 | L | 91.7 | Very high | 90.7 | Very high | 12.6 Ų | 12.6 | 32.2 Ų | 32.2 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -49.9 | -179.2 | -58.5 | 174.1 | 0 | 0 | 0 | 112.2 | S1024 A1039 D1041 V1057 L1153 R1154 V1157 | S1024-L1026 PolarHBondContact O-N 3.03Å; L1026-A1039 WeakPolarHBondContact CA-O 3.32Å; L1026-A1039 WeakPolarHBondContact CB-O 3.38Å; L1026-A1039 PolarHBondContact N-O 3.09Å; L1026-D1041 HydrophobicContact CD1-CB 4.36Å; L1026-D1041 HydrophobicContact CD2-CB 4.43Å; L1026-D1041 HydrophobicContact CG-CB 4.48Å; L1026-V1057 HydrophobicContact CD1-CG1 4.29Å; L1026-V1057 HydrophobicContact CD1-CG2 4.4Å; L1026-L1153 HydrophobicContact CD1-CD2 3.86Å; L1026-L1153 HydrophobicContact CD1-CG 3.82Å; L1026-L1153 HydrophobicContact CD2-CB 4.26Å; L1026-L1153 HydrophobicContact CD2-CD2 4.3Å; L1026-L1153 HydrophobicContact CD2-CG 4.21Å; L1026-L1153 HydrophobicContact CG-CG 4.47Å; L1026-R1154 HydrophobicContact CD2-CB 4.29Å; L1026-R1154 WeakPolarHBondContact O-CG 3.41Å; L1026-V1157 HydrophobicContact CD1-CG2 4.16Å |
| 1027 | R | 93.7 | Very high | 91.4 | Very high | 52.6 Ų | 52.6 | 26.9 Ų | 26.9 | 20% | 0.198 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 150 | -172.8 | -68.1 | -64.2 | -172.1 | 157.2 | -0.1 | 111.8 | D954 C1038 A1039 R1154 V1157 R1158 L1159 | D954-R1027 VanDerWaalsContact CG-CD 3.5Å; D954-R1027 IonicContact OD1-CZ 3.71Å; D954-R1027 IonicContact OD1-NH1 3.19Å; D954-R1027 PolarHBondContact OD1-NH1 3.16Å; D954-R1027 WeakPolarHBondContact OD2-CA 3.39Å; D954-R1027 WeakPolarHBondContact OD2-CD 3.36Å; D954-R1027 IonicContact OD2-NH1 3.19Å; R1027-C1038 WeakPolarHBondContact O-CA 3.35Å; R1027-A1039 HydrophobicContact CB-CB 4.28Å; R1027-A1039 PolarHBondContact N-O 3.03Å; R1027-A1039 VanDerWaalsContact N-O 3.13Å; R1027-A1039 PolarHBondContact O-N 2.96Å; R1027-R1154 PolarHBondContact NE-O 2.95Å; R1027-R1154 VanDerWaalsContact NE-O 3.08Å; R1027-R1154 PolarHBondContact NH2-O 3.01Å; R1027-V1157 HydrophobicContact CG-CB 4.49Å; R1027-V1157 HydrophobicContact CG-CG1 4.37Å; R1027-R1158 VanDerWaalsContact NH2-NH1 3.11Å; R1027-L1159 HydrophobicContact CB-CD1 4.16Å; R1027-L1159 HydrophobicContact CB-CG 4.37Å |
| 1028 | V | 95.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.2 | 171.5 | 64.7 | 0 | 0 | 0 | 0 | 110.3 | D954 C956 A978 A980 T986 I1036 A1037 | D954-V1028 HydrophobicContact CB-CG1 4.45Å; D954-V1028 PolarHBondContact OD2-N 3.14Å; D954-V1028 VanDerWaalsContact OD2-N 3.09Å; C956-V1028 HydrophobicContact CB-CG1 4.31Å; C956-V1028 WeakPolarHBondContact CB-O 3.34Å; A978-V1028 HydrophobicContact CB-CG2 4.34Å; A980-V1028 HydrophobicContact CB-CB 4.08Å; A980-V1028 HydrophobicContact CB-CG1 3.86Å; T986-V1028 HydrophobicContact CG2-CG2 3.93Å; V1028-I1036 HydrophobicContact CG2-CG2 3.63Å; V1028-A1037 WeakPolarHBondContact CA-O 3.29Å |
| 1029 | S | 94.5 | Very high | 91.9 | Very high | 12.4 Ų | 12.4 | 26 Ų | 26 | 9% | 0.087 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.6 | 176.7 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | I1036 A1037 W1161 | S1029-I1036 WeakPolarHBondContact O-CA 3.35Å; S1029-I1036 WeakPolarHBondContact O-CG2 3.24Å; S1029-A1037 PolarHBondContact N-O 3.08Å; S1029-A1037 PolarHBondContact O-N 3.27Å; S1029-W1161 PolarHBondContact O-NE1 3.03Å; S1029-W1161 VanDerWaalsContact OG-CD1 3.25Å |
| 1030 | C | 93.1 | Very high | 92 | Very high | 4.8 Ų | 4.8 | 25.1 Ų | 25.1 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.1 | 178.2 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | C956 H961 A978 I1036 W1161 | C956-C1030 PolarHBondContact SG-N 2.83Å; H961-C1030 PolarHBondContact CD2-O 3.42Å; H961-C1030 PolarHBondContact NE2-O 3.49Å; A978-C1030 VanDerWaalsContact CB-SG 3.52Å; A978-C1030 WeakPolarHBondContact CB-SG 3.49Å; C1030-I1036 HydrophobicContact CB-CG1 4.5Å; C1030-I1036 HydrophobicContact CB-CG2 4.13Å; C1030-W1161 VanDerWaalsContact C-CD1 3.42Å; C1030-W1161 VanDerWaalsContact O-CD1 3.3Å |
| 1031 | A | 90.1 | Very high | 91.9 | Very high | 1.4 Ų | 1.4 | 21.7 Ų | 21.7 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -44.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | H961 S963 S964 R1035 W1161 H1169 | H961-A1031 PolarHBondContact NE2-O 3.06Å; H961-A1031 VanDerWaalsContact NE2-O 3.07Å; S963-A1031 CarbonylContact C-O 3.58Å; S964-A1031 PolarHBondContact N-O 3.44Å; S964-A1031 PolarHBondContact OG-O 3.04Å; A1031-R1035 HydrophobicContact CB-CB 4.42Å; A1031-R1035 WeakPolarHBondContact CB-O 3.39Å; A1031-R1035 PolarHBondContact N-O 3.06Å; A1031-W1161 HydrophobicContact CB-CB 4.27Å; A1031-W1161 HydrophobicContact CB-CD2 3.6Å; A1031-W1161 HydrophobicContact CB-CE3 3.86Å; A1031-W1161 HydrophobicContact CB-CG 3.8Å; A1031-W1161 HydrophobicContact CB-CH2 4.46Å; A1031-W1161 HydrophobicContact CB-CZ2 4.36Å; A1031-W1161 HydrophobicContact CB-CZ3 4.35Å; A1031-W1161 VanDerWaalsContact N-CD1 3.33Å; A1031-H1169 HydrophobicContact CB-CB 4.29Å |
| 1032 | Y | 88.4 | Confident | 91.8 | Very high | 8.4 Ų | 8.4 | 22.9 Ų | 22.9 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | -171.1 | 173.3 | 59.6 | -78.4 | 0 | 0 | 0 | 107.6 | S958 S963 S965 L967 G1034 R1035 E1065 H1169 | S958-Y1032 CarbonylContact O-C 3.56Å; S958-Y1032 WeakPolarHBondContact O-CA 3.43Å; S963-Y1032 WeakPolarHBondContact OG-CB 3.25Å; S965-Y1032 WeakPolarHBondContact OG-CB 3.14Å; S965-Y1032 WeakPolarHBondContact OG-CD2 3.36Å; L967-Y1032 HydrophobicContact CD1-CD1 4.08Å; L967-Y1032 HydrophobicContact CD1-CD2 3.73Å; L967-Y1032 HydrophobicContact CD1-CE1 4.46Å; L967-Y1032 HydrophobicContact CD1-CE2 4.27Å; L967-Y1032 HydrophobicContact CD1-CG 3.54Å; L967-Y1032 VanDerWaalsContact CD1-CG 3.44Å; Y1032-G1034 VanDerWaalsContact C-N 3.26Å; Y1032-G1034 VanDerWaalsContact CE2-CA 3.46Å; Y1032-G1034 VanDerWaalsContact CE2-N 3.35Å; Y1032-G1034 PolarHBondContact O-N 3.16Å; Y1032-R1035 HydrophobicContact CD1-CB 4.3Å; Y1032-R1035 HydrophobicContact CE1-CB 3.65Å; Y1032-R1035 PolarHBondContact O-N 3.21Å; Y1032-R1035 PolarHBondContact OH-NH1 3.4Å; Y1032-E1065 VanDerWaalsContact CE2-CD 3.42Å; Y1032-E1065 HydrophobicContact CE2-CG 4.27Å; Y1032-E1065 WeakPolarHBondContact CE2-OE1 3.36Å; Y1032-E1065 VanDerWaalsContact CE2-OE2 3.25Å; Y1032-E1065 WeakPolarHBondContact CE2-OE2 3.32Å; Y1032-E1065 VanDerWaalsContact CZ-OE2 3.31Å; Y1032-E1065 VanDerWaalsContact OH-CD 3.31Å; Y1032-E1065 PolarHBondContact OH-OE1 3.17Å; Y1032-E1065 PolarHBondContact OH-OE2 3.18Å; Y1032-H1169 AromaticContact CD1-CD2 3.77Å; Y1032-H1169 AromaticContact CD1-NE2 3.44Å; Y1032-H1169 WeakPolarHBondContact CD1-NE2 3.36Å; Y1032-H1169 AromaticContact CE1-CD2 3.55Å; Y1032-H1169 VanDerWaalsContact CE1-CD2 3.47Å; Y1032-H1169 WeakPolarHBondContact CE1-CD2 3.36Å; Y1032-H1169 AromaticContact CE1-NE2 3.6Å; Y1032-H1169 WeakPolarHBondContact CE1-NE2 3.34Å |
| 1033 | S | 87.7 | Confident | 91.2 | Very high | 12.2 Ų | 12.2 | 17 Ų | 17 | 9% | 0.085 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.7 | -178.2 | 57 | 0 | 0 | 0 | 0 | 115.4 | S958 Y968 P974 Y975 | S958-S1033 PolarHBondContact O-N 3.34Å; Y968-S1033 WeakPolarHBondContact OH-CB 3.35Å; Y968-S1033 PolarHBondContact OH-N 3.36Å; Y968-S1033 PolarHBondContact OH-OG 2.99Å; P974-S1033 WeakPolarHBondContact CD-OG 3.5Å; Y975-S1033 VanDerWaalsContact CE1-O 3.24Å; Y975-S1033 WeakPolarHBondContact CE1-O 3.41Å; Y975-S1033 VanDerWaalsContact CZ-O 3.27Å; Y975-S1033 VanDerWaalsContact OH-C 3.3Å; Y975-S1033 WeakPolarHBondContact OH-CA 3.4Å; Y975-S1033 PolarHBondContact OH-O 2.99Å |
| 1034 | G | 88.3 | Confident | 89.9 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -10.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1032 E1063 C1064 | Y1032-G1034 VanDerWaalsContact C-N 3.26Å; Y1032-G1034 VanDerWaalsContact CE2-CA 3.46Å; Y1032-G1034 VanDerWaalsContact CE2-N 3.35Å; Y1032-G1034 PolarHBondContact O-N 3.16Å; G1034-E1063 CarbonylContact O-C 3.54Å; G1034-E1063 VanDerWaalsContact O-CA 3.24Å; G1034-E1063 WeakPolarHBondContact O-CA 3.4Å; G1034-C1064 PolarHBondContact O-N 3.16Å; G1034-C1064 VanDerWaalsContact O-N 3.08Å |
| 1035 | R | 91.9 | Very high | 88.1 | Confident | 39 Ų | 39 | 23.1 Ų | 23.1 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 130.4 | -179.3 | -172.1 | 177.3 | -76.8 | 125.7 | 8.3 | 112.7 | A1031 Y1032 V1061 H1062 E1063 E1065 E1075 W1161 | A1031-R1035 HydrophobicContact CB-CB 4.42Å; A1031-R1035 WeakPolarHBondContact CB-O 3.39Å; A1031-R1035 PolarHBondContact N-O 3.06Å; Y1032-R1035 HydrophobicContact CD1-CB 4.3Å; Y1032-R1035 HydrophobicContact CE1-CB 3.65Å; Y1032-R1035 PolarHBondContact O-N 3.21Å; Y1032-R1035 PolarHBondContact OH-NH1 3.4Å; R1035-V1061 HydrophobicContact CG-CG1 4.12Å; R1035-H1062 CarbonylContact C-O 3.42Å; R1035-H1062 VanDerWaalsContact CA-O 3.3Å; R1035-H1062 WeakPolarHBondContact CA-O 3.38Å; R1035-E1063 HydrophobicContact CG-CB 4.42Å; R1035-E1065 IonicContact NH2-OE2 3.66Å; R1035-E1075 IonicContact CZ-OE1 3.45Å; R1035-E1075 VanDerWaalsContact CZ-OE1 3.26Å; R1035-E1075 IonicContact CZ-OE2 3.68Å; R1035-E1075 IonicContact NE-OE1 3.63Å; R1035-E1075 PolarHBondContact NE-OE1 2.86Å; R1035-E1075 IonicContact NE-OE2 3.74Å; R1035-E1075 PolarHBondContact NE-OE2 3.15Å; R1035-E1075 IonicContact NH2-OE1 3.48Å; R1035-E1075 PolarHBondContact NH2-OE1 3.03Å; R1035-E1075 IonicContact NH2-OE2 2.93Å; R1035-W1161 HydrophobicContact CG-CH2 4.27Å |
| 1036 | I | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.3 | -172 | -11.3 | 175.2 | 0 | 0 | 0 | 110.8 | F988 F1019 V1028 S1029 C1030 V1061 H1062 W1072 | F988-I1036 HydrophobicContact CD1-CD1 4.39Å; F988-I1036 HydrophobicContact CE1-CD1 3.41Å; F988-I1036 HydrophobicContact CE1-CG1 4.49Å; F988-I1036 HydrophobicContact CZ-CD1 3.49Å; F1019-I1036 HydrophobicContact CD1-CD1 4.34Å; F1019-I1036 HydrophobicContact CE1-CD1 3.82Å; F1019-I1036 HydrophobicContact CE1-CG1 4.48Å; F1019-I1036 HydrophobicContact CZ-CD1 3.45Å; F1019-I1036 VanDerWaalsContact CZ-CD1 3.45Å; F1019-I1036 HydrophobicContact CZ-CG1 4.34Å; F1019-I1036 HydrophobicContact CZ-CG2 4.43Å; V1028-I1036 HydrophobicContact CG2-CG2 3.63Å; S1029-I1036 WeakPolarHBondContact O-CA 3.35Å; S1029-I1036 WeakPolarHBondContact O-CG2 3.24Å; C1030-I1036 HydrophobicContact CB-CG1 4.5Å; C1030-I1036 HydrophobicContact CB-CG2 4.13Å; I1036-V1061 CarbonylContact O-C 3.56Å; I1036-V1061 WeakPolarHBondContact O-CA 3.4Å; I1036-H1062 HydrophobicContact CD1-CB 4.12Å; I1036-H1062 HydrophobicContact CG1-CB 3.79Å; I1036-H1062 PolarHBondContact N-O 2.98Å; I1036-H1062 PolarHBondContact O-N 3.08Å; I1036-W1072 HydrophobicContact CD1-CD2 4.25Å; I1036-W1072 HydrophobicContact CD1-CE3 4.23Å; I1036-W1072 HydrophobicContact CD1-CH2 3.5Å; I1036-W1072 VanDerWaalsContact CD1-CH2 3.41Å; I1036-W1072 HydrophobicContact CD1-CZ2 3.75Å; I1036-W1072 VanDerWaalsContact CD1-CZ2 3.47Å; I1036-W1072 HydrophobicContact CD1-CZ3 3.84Å; I1036-W1072 HydrophobicContact CG1-CE3 4.36Å; I1036-W1072 HydrophobicContact CG1-CH2 3.98Å; I1036-W1072 HydrophobicContact CG1-CZ2 4.46Å; I1036-W1072 HydrophobicContact CG1-CZ3 4.03Å; I1036-W1072 HydrophobicContact CG2-CH2 4Å; I1036-W1072 HydrophobicContact CG2-CZ3 4.38Å |
| 1037 | A | 96.1 | Very high | 84 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1028 S1029 V1059 T1060 L1159 W1161 L1171 | V1028-A1037 WeakPolarHBondContact CA-O 3.29Å; S1029-A1037 PolarHBondContact N-O 3.08Å; S1029-A1037 PolarHBondContact O-N 3.27Å; A1037-V1059 HydrophobicContact CB-CG1 4.11Å; A1037-T1060 CarbonylContact C-O 3.59Å; A1037-T1060 VanDerWaalsContact CA-O 3.29Å; A1037-T1060 WeakPolarHBondContact CA-O 3.4Å; A1037-L1159 HydrophobicContact CB-CD1 4.14Å; A1037-W1161 HydrophobicContact CB-CH2 4.45Å; A1037-W1161 HydrophobicContact CB-CZ2 3.53Å; A1037-W1161 VanDerWaalsContact CB-CZ2 3.49Å; A1037-L1171 HydrophobicContact CB-CD1 3.68Å; A1037-L1171 HydrophobicContact CB-CD2 3.93Å; A1037-L1171 HydrophobicContact CB-CG 4.47Å |
| 1038 | C | 96.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122 | 174.3 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | F1019 V1021 V1025 R1027 V1059 T1060 | F1019-C1038 HydrophobicContact CE2-CB 4.35Å; F1019-C1038 HydrophobicContact CZ-CB 4.39Å; V1021-C1038 HydrophobicContact CG1-CB 4.16Å; V1021-C1038 HydrophobicContact CG2-CB 4.33Å; V1025-C1038 VanDerWaalsContact CG1-SG 3.56Å; R1027-C1038 WeakPolarHBondContact O-CA 3.35Å; C1038-V1059 CarbonylContact O-C 3.57Å; C1038-V1059 VanDerWaalsContact O-CA 3.29Å; C1038-V1059 WeakPolarHBondContact O-CA 3.4Å; C1038-T1060 PolarHBondContact N-O 3.11Å; C1038-T1060 PolarHBondContact O-N 3.22Å; C1038-T1060 PolarHBondContact O-OG1 2.93Å |
| 1039 | A | 95.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1026 R1027 V1057 N1058 V1059 V1157 L1159 | L1026-A1039 WeakPolarHBondContact CA-O 3.32Å; L1026-A1039 WeakPolarHBondContact CB-O 3.38Å; L1026-A1039 PolarHBondContact N-O 3.09Å; R1027-A1039 HydrophobicContact CB-CB 4.28Å; R1027-A1039 PolarHBondContact N-O 3.03Å; R1027-A1039 VanDerWaalsContact N-O 3.13Å; R1027-A1039 PolarHBondContact O-N 2.96Å; A1039-V1057 HydrophobicContact CB-CG1 4.32Å; A1039-N1058 CarbonylContact C-O 3.58Å; A1039-N1058 VanDerWaalsContact CA-O 3.3Å; A1039-N1058 WeakPolarHBondContact CA-O 3.27Å; A1039-V1059 HydrophobicContact CB-CG2 3.96Å; A1039-V1157 HydrophobicContact CB-CG1 3.91Å; A1039-L1159 HydrophobicContact CB-CD1 3.87Å; A1039-L1159 HydrophobicContact CB-CD2 4.3Å; A1039-L1159 HydrophobicContact CB-CG 4.22Å |
| 1040 | F | 94 | Very high | 77.1 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154.5 | -177.8 | 63.2 | -77.1 | 0 | 0 | 0 | 111.1 | V1021 E1022 S1024 P1042 N1058 T1060 | V1021-F1040 HydrophobicContact CB-CB 4.41Å; V1021-F1040 HydrophobicContact CB-CD1 4.23Å; V1021-F1040 HydrophobicContact CB-CD2 4.49Å; V1021-F1040 HydrophobicContact CB-CE1 4.42Å; V1021-F1040 HydrophobicContact CB-CG 4.35Å; V1021-F1040 HydrophobicContact CG1-CB 3.9Å; V1021-F1040 HydrophobicContact CG1-CD1 3.43Å; V1021-F1040 HydrophobicContact CG1-CD2 3.7Å; V1021-F1040 HydrophobicContact CG1-CE1 3.44Å; V1021-F1040 VanDerWaalsContact CG1-CE1 3.44Å; V1021-F1040 HydrophobicContact CG1-CE2 3.89Å; V1021-F1040 HydrophobicContact CG1-CG 3.33Å; V1021-F1040 HydrophobicContact CG1-CZ 3.75Å; V1021-F1040 HydrophobicContact CG2-CB 3.73Å; V1021-F1040 HydrophobicContact CG2-CD1 4.26Å; V1021-F1040 HydrophobicContact CG2-CD2 4.44Å; V1021-F1040 HydrophobicContact CG2-CG 3.91Å; E1022-F1040 HydrophobicContact CB-CE2 4.31Å; E1022-F1040 WeakPolarHBondContact O-CD2 3.38Å; E1022-F1040 VanDerWaalsContact O-CE2 3.27Å; E1022-F1040 WeakPolarHBondContact O-CE2 3.32Å; S1024-F1040 CarbonylContact O-C 3.49Å; S1024-F1040 VanDerWaalsContact O-CA 3.25Å; S1024-F1040 WeakPolarHBondContact O-CA 3.32Å; S1024-F1040 WeakPolarHBondContact O-CB 3.36Å; F1040-P1042 HydrophobicContact CE2-CB 4.38Å; F1040-P1042 WeakPolarHBondContact O-CD 3.43Å; F1040-N1058 HydrophobicContact CD1-CB 4.03Å; F1040-N1058 VanDerWaalsContact CD1-O 3.28Å; F1040-N1058 WeakPolarHBondContact CD1-O 3.39Å; F1040-N1058 HydrophobicContact CD2-CB 4.2Å; F1040-N1058 HydrophobicContact CE1-CB 3.48Å; F1040-N1058 VanDerWaalsContact CE1-CB 3.44Å; F1040-N1058 HydrophobicContact CE2-CB 3.7Å; F1040-N1058 HydrophobicContact CG-CB 4.37Å; F1040-N1058 HydrophobicContact CZ-CB 3.33Å; F1040-N1058 PolarHBondContact N-O 3.23Å; F1040-N1058 PolarHBondContact O-N 3.29Å; F1040-T1060 HydrophobicContact CD1-CG2 4.44Å; F1040-T1060 HydrophobicContact CE1-CG2 3.45Å; F1040-T1060 VanDerWaalsContact CE1-CG2 3.43Å; F1040-T1060 HydrophobicContact CZ-CG2 3.95Å |
| 1041 | D | 90.8 | Very high | 75.1 | Confident | 46.4 Ų | 46.4 | 54 Ų | 54 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.4 | 168 | -176 | -7.2 | 0 | 0 | 0 | 108.2 | G1023 S1024 L1026 G1043 L1153 | G1023-D1041 CarbonylContact C-O 3.53Å; G1023-D1041 VanDerWaalsContact CA-O 3.28Å; G1023-D1041 WeakPolarHBondContact CA-O 3.33Å; S1024-D1041 PolarHBondContact N-O 3.04Å; S1024-D1041 PolarHBondContact O-N 3.13Å; S1024-D1041 WeakPolarHBondContact OG-CB 3.24Å; L1026-D1041 HydrophobicContact CD1-CB 4.36Å; L1026-D1041 HydrophobicContact CD2-CB 4.43Å; L1026-D1041 HydrophobicContact CG-CB 4.48Å; D1041-G1043 PolarHBondContact O-N 3.03Å; D1041-G1043 VanDerWaalsContact O-N 3.11Å; D1041-G1043 PolarHBondContact OD1-N 3.24Å; D1041-G1043 VanDerWaalsContact OD1-N 3.08Å; D1041-L1153 HydrophobicContact CB-CD2 3.78Å; D1041-L1153 WeakPolarHBondContact OD2-CD2 3.19Å |
| 1042 | P | 86 | Confident | 73.7 | Confident | 35.4 Ų | 35.4 | 58.2 Ų | 58.2 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | trans | -62.7 | -17.6 | -179.8 | 25.4 | -34 | 0 | 0 | 0 | 113.6 | F1040 G1044 L1045 N1056 | F1040-P1042 HydrophobicContact CE2-CB 4.38Å; F1040-P1042 WeakPolarHBondContact O-CD 3.43Å; P1042-G1044 PolarHBondContact O-N 2.77Å; P1042-G1044 VanDerWaalsContact O-N 3.15Å; P1042-L1045 HydrophobicContact CB-CD1 4.32Å; P1042-L1045 HydrophobicContact CG-CD1 3.74Å; P1042-N1056 HydrophobicContact CG-CB 4.31Å | ||
| 1043 | G | 75.7 | Confident | 72.8 | Confident | 44.6 Ų | 44.6 | 61.6 Ų | 61.6 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | trans | 59.1 | 140.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1041 L1045 | D1041-G1043 PolarHBondContact O-N 3.03Å; D1041-G1043 VanDerWaalsContact O-N 3.11Å; D1041-G1043 PolarHBondContact OD1-N 3.24Å; D1041-G1043 VanDerWaalsContact OD1-N 3.08Å; G1043-L1045 PolarHBondContact O-N 3.34Å | ||
| 1044 | G | 61.7 | Low | 72.3 | Confident | 72.2 Ų | 72.2 | 61.8 Ų | 61.8 | 74% | 0.744 | 36% | 0.359 | S | S | * | . | trans | 89.5 | 32.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1042 P1046 | P1042-G1044 PolarHBondContact O-N 2.77Å; P1042-G1044 VanDerWaalsContact O-N 3.15Å; G1044-P1046 WeakPolarHBondContact O-CD 3.41Å | ||
| 1045 | L | 53 | Low | 72 | Confident | 125.4 Ų | 125.4 | 62.6 Ų | 62.6 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 133.6 | 172.4 | -76.1 | 161.2 | 0 | 0 | 0 | 109.1 | P1042 G1043 Q1047 N1056 | P1042-L1045 HydrophobicContact CB-CD1 4.32Å; P1042-L1045 HydrophobicContact CG-CD1 3.74Å; G1043-L1045 PolarHBondContact O-N 3.34Å; L1045-Q1047 PolarHBondContact O-N 3.22Å; L1045-Q1047 VanDerWaalsContact O-N 3.12Å; L1045-N1056 HydrophobicContact CD1-CB 4.26Å |
| 1046 | P | 49.4 | Very low | 71.8 | Confident | 88.4 Ų | 88.4 | 61.9 Ų | 61.9 | 57% | 0.574 | 36% | 0.362 | S | S | * | . | trans | -59.1 | 114.1 | 176.2 | 23.4 | -31.1 | 0 | 0 | 0 | 109.3 | G1044 K1048 N1082 | G1044-P1046 WeakPolarHBondContact O-CD 3.41Å; P1046-K1048 VanDerWaalsContact C-N 3.33Å; P1046-K1048 PolarHBondContact O-N 3.06Å; P1046-K1048 VanDerWaalsContact O-N 3.1Å; P1046-N1082 WeakPolarHBondContact CB-OD1 3.27Å | ||
| 1047 | Q | 48.4 | Very low | 71.7 | Confident | 137.6 Ų | 137.6 | 61.9 Ų | 61.9 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 111.1 | 170.8 | -93 | 179.4 | -12.6 | 0 | 0 | 107.7 | L1045 S1049 S1054 S1289 | L1045-Q1047 PolarHBondContact O-N 3.22Å; L1045-Q1047 VanDerWaalsContact O-N 3.12Å; Q1047-S1049 PolarHBondContact O-N 2.99Å; Q1047-S1054 PolarHBondContact NE2-O 3.3Å; Q1047-S1054 VanDerWaalsContact NE2-O 3.07Å; Q1047-S1289 PolarHBondContact NE2-OG 3.23Å; Q1047-S1289 PolarHBondContact OE1-OG 3.1Å |
| 1048 | K | 46 | Very low | 71.6 | Confident | 176.4 Ų | 176.4 | 62.5 Ų | 62.5 | 77% | 0.767 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -20.9 | 74.1 | 170.3 | -77.6 | -177.9 | 174.9 | 179.1 | 0 | 112.4 | P1046 D1050 | P1046-K1048 VanDerWaalsContact C-N 3.33Å; P1046-K1048 PolarHBondContact O-N 3.06Å; P1046-K1048 VanDerWaalsContact O-N 3.1Å; K1048-D1050 PolarHBondContact O-N 3.16Å |
| 1049 | S | 46 | Very low | 71.6 | Confident | 65.2 Ų | 65.2 | 62.5 Ų | 62.5 | 46% | 0.456 | 37% | 0.365 | S | S | . | . | trans | -47.9 | 124.8 | 164.8 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | Q1047 D1051 | Q1047-S1049 PolarHBondContact O-N 2.99Å; S1049-D1051 PolarHBondContact O-N 3.26Å; S1049-D1051 VanDerWaalsContact O-N 3.11Å | ||
| 1050 | D | 47.4 | Very low | 71.6 | Confident | 161 Ų | 161 | 62.6 Ų | 62.6 | 86% | 0.861 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -46.9 | 0.4 | 174.1 | -68.6 | -39.4 | 0 | 0 | 0 | 115 | K1048 V1052 | K1048-D1050 PolarHBondContact O-N 3.16Å; D1050-V1052 VanDerWaalsContact C-N 3.3Å; D1050-V1052 WeakPolarHBondContact O-CG2 3.39Å; D1050-V1052 PolarHBondContact O-N 3.11Å; D1050-V1052 VanDerWaalsContact O-N 3.09Å |
| 1051 | D | 51.2 | Low | 71.6 | Confident | 111.6 Ų | 111.6 | 62.5 Ų | 62.5 | 60% | 0.597 | 37% | 0.365 | S | S | * | . | trans | -81.1 | 87.6 | 176.5 | -80 | -27.9 | 0 | 0 | 0 | 110.5 | S1049 N1053 S1054 | S1049-D1051 PolarHBondContact O-N 3.26Å; S1049-D1051 VanDerWaalsContact O-N 3.11Å; D1051-N1053 PolarHBondContact O-N 3.16Å; D1051-S1054 PolarHBondContact O-N 3.04Å; D1051-S1054 VanDerWaalsContact O-N 3.12Å; D1051-S1054 PolarHBondContact O-OG 3.1Å | ||
| 1052 | V | 59.4 | Low | 71.8 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -7.4 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 113.5 | D1050 R1087 S1140 P1144 | D1050-V1052 VanDerWaalsContact C-N 3.3Å; D1050-V1052 WeakPolarHBondContact O-CG2 3.39Å; D1050-V1052 PolarHBondContact O-N 3.11Å; D1050-V1052 VanDerWaalsContact O-N 3.09Å; V1052-R1087 PolarHBondContact O-NH2 3.38Å; V1052-S1140 WeakPolarHBondContact CG1-OG 3.42Å; V1052-P1144 HydrophobicContact CB-CB 4.34Å; V1052-P1144 HydrophobicContact CB-CG 3.58Å; V1052-P1144 HydrophobicContact CG1-CB 3.91Å; V1052-P1144 VanDerWaalsContact CG1-CB 3.44Å; V1052-P1144 HydrophobicContact CG1-CG 3.23Å; V1052-P1144 HydrophobicContact CG2-CG 4.42Å |
| 1053 | N | 70.1 | Confident | 72.1 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 13.9 | -175.4 | -69 | -14.7 | 0 | 0 | 0 | 114.2 | D1051 P1084 I1085 R1087 | D1051-N1053 PolarHBondContact O-N 3.16Å; N1053-P1084 CarbonylContact O-C 3.54Å; N1053-P1084 WeakPolarHBondContact O-CA 3.4Å; N1053-I1085 WeakPolarHBondContact CB-O 3.35Å; N1053-I1085 PolarHBondContact O-N 3.05Å; N1053-I1085 VanDerWaalsContact O-O 3.13Å; N1053-R1087 WeakPolarHBondContact OD1-CB 3.36Å; N1053-R1087 WeakPolarHBondContact OD1-CD 3.45Å; N1053-R1087 WeakPolarHBondContact OD1-CG 3.22Å; N1053-R1087 PolarHBondContact OD1-NE 3.4Å |
| 1054 | S | 76.9 | Confident | 72.8 | Confident | 16.6 Ų | 16.6 | 58 Ų | 58 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.8 | 177.6 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | Q1047 D1051 I1083 | Q1047-S1054 PolarHBondContact NE2-O 3.3Å; Q1047-S1054 VanDerWaalsContact NE2-O 3.07Å; D1051-S1054 PolarHBondContact O-N 3.04Å; D1051-S1054 VanDerWaalsContact O-N 3.12Å; D1051-S1054 PolarHBondContact O-OG 3.1Å; S1054-I1083 CarbonylContact C-O 3.55Å; S1054-I1083 VanDerWaalsContact CA-O 3.29Å; S1054-I1083 WeakPolarHBondContact CA-O 3.44Å |
| 1055 | V | 82.7 | Confident | 73.9 | Confident | 21.2 Ų | 21.2 | 58.7 Ų | 58.7 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.8 | 177.5 | -136.3 | 0 | 0 | 0 | 0 | 111.8 | V1057 N1082 I1083 I1085 L1153 V1175 | V1055-V1057 HydrophobicContact CG1-CG2 3.74Å; V1055-N1082 PolarHBondContact O-N 2.99Å; V1055-I1083 HydrophobicContact CG2-CB 4.17Å; V1055-I1083 HydrophobicContact CG2-CG2 4.43Å; V1055-I1083 PolarHBondContact N-O 3.08Å; V1055-I1083 PolarHBondContact O-N 3.37Å; V1055-I1085 HydrophobicContact CB-CD1 3.99Å; V1055-I1085 HydrophobicContact CB-CG1 4.27Å; V1055-I1085 HydrophobicContact CG1-CD1 3.79Å; V1055-I1085 VanDerWaalsContact CG1-CD1 3.41Å; V1055-I1085 HydrophobicContact CG1-CG1 4.06Å; V1055-I1085 HydrophobicContact CG2-CD1 3.39Å; V1055-I1085 HydrophobicContact CG2-CG1 4.01Å; V1055-L1153 HydrophobicContact CB-CD1 3.91Å; V1055-L1153 HydrophobicContact CG1-CD1 3.41Å; V1055-L1153 VanDerWaalsContact CG1-CD1 3.41Å; V1055-L1153 HydrophobicContact CG1-CD2 4.19Å; V1055-L1153 HydrophobicContact CG1-CG 4.32Å; V1055-L1153 HydrophobicContact CG2-CD1 4.02Å; V1055-V1175 HydrophobicContact CG2-CG1 3.83Å |
| 1056 | N | 87.3 | Confident | 75.4 | Confident | 23.2 Ų | 23.2 | 55.1 Ų | 55.1 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.8 | 174.3 | -63.7 | -43 | 0 | 0 | 0 | 109.1 | P1042 L1045 L1080 H1081 N1082 | P1042-N1056 HydrophobicContact CG-CB 4.31Å; L1045-N1056 HydrophobicContact CD1-CB 4.26Å; N1056-L1080 WeakPolarHBondContact CA-O 3.38Å; N1056-H1081 VanDerWaalsContact OD1-CA 3.28Å; N1056-H1081 WeakPolarHBondContact OD1-CA 3.35Å; N1056-H1081 PolarHBondContact OD1-ND1 3.14Å; N1056-N1082 PolarHBondContact OD1-N 2.98Å; N1056-N1082 PolarHBondContact OD1-OD1 3.36Å |
| 1057 | V | 91.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.4 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | L1026 A1039 V1055 V1059 L1080 L1153 V1157 V1175 | L1026-V1057 HydrophobicContact CD1-CG1 4.29Å; L1026-V1057 HydrophobicContact CD1-CG2 4.4Å; A1039-V1057 HydrophobicContact CB-CG1 4.32Å; V1055-V1057 HydrophobicContact CG1-CG2 3.74Å; V1057-V1059 HydrophobicContact CG1-CG2 4.38Å; V1057-L1080 PolarHBondContact N-O 3.02Å; V1057-L1080 WeakPolarHBondContact O-CA 3.33Å; V1057-L1080 VanDerWaalsContact O-CB 3.25Å; V1057-L1080 WeakPolarHBondContact O-CB 3.34Å; V1057-L1080 PolarHBondContact O-N 3Å; V1057-L1153 HydrophobicContact CG2-CD1 4.09Å; V1057-L1153 HydrophobicContact CG2-CD2 4.33Å; V1057-L1153 HydrophobicContact CG2-CG 4.34Å; V1057-V1157 HydrophobicContact CG1-CG1 4.32Å; V1057-V1157 HydrophobicContact CG1-CG2 4.16Å; V1057-V1157 HydrophobicContact CG2-CG2 3.7Å; V1057-V1175 HydrophobicContact CB-CG2 4.37Å; V1057-V1175 HydrophobicContact CG1-CG2 4.45Å; V1057-V1175 HydrophobicContact CG2-CG1 3.96Å; V1057-V1175 HydrophobicContact CG2-CG2 4.38Å |
| 1058 | N | 94.7 | Very high | 78.8 | Confident | 12.8 Ų | 12.8 | 46.9 Ų | 46.9 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 146.9 | 169.5 | -72.2 | -4.9 | 0 | 0 | 0 | 109.3 | A1039 F1040 T1077 I1078 R1079 | A1039-N1058 CarbonylContact C-O 3.58Å; A1039-N1058 VanDerWaalsContact CA-O 3.3Å; A1039-N1058 WeakPolarHBondContact CA-O 3.27Å; F1040-N1058 HydrophobicContact CD1-CB 4.03Å; F1040-N1058 VanDerWaalsContact CD1-O 3.28Å; F1040-N1058 WeakPolarHBondContact CD1-O 3.39Å; F1040-N1058 HydrophobicContact CD2-CB 4.2Å; F1040-N1058 HydrophobicContact CE1-CB 3.48Å; F1040-N1058 VanDerWaalsContact CE1-CB 3.44Å; F1040-N1058 HydrophobicContact CE2-CB 3.7Å; F1040-N1058 HydrophobicContact CG-CB 4.37Å; F1040-N1058 HydrophobicContact CZ-CB 3.33Å; F1040-N1058 PolarHBondContact N-O 3.23Å; F1040-N1058 PolarHBondContact O-N 3.29Å; N1058-T1077 HydrophobicContact CB-CG2 4.47Å; N1058-I1078 CarbonylContact C-O 3.51Å; N1058-I1078 WeakPolarHBondContact CA-O 3.3Å; N1058-R1079 WeakPolarHBondContact OD1-CA 3.42Å |
| 1059 | V | 96 | Very high | 80.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 113.8 | 174.4 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | A1037 C1038 A1039 V1057 I1078 L1159 L1171 V1173 | A1037-V1059 HydrophobicContact CB-CG1 4.11Å; C1038-V1059 CarbonylContact O-C 3.57Å; C1038-V1059 VanDerWaalsContact O-CA 3.29Å; C1038-V1059 WeakPolarHBondContact O-CA 3.4Å; A1039-V1059 HydrophobicContact CB-CG2 3.96Å; V1057-V1059 HydrophobicContact CG1-CG2 4.38Å; V1059-I1078 HydrophobicContact CB-CB 4.29Å; V1059-I1078 PolarHBondContact N-O 3.15Å; V1059-I1078 PolarHBondContact O-N 3.16Å; V1059-L1159 HydrophobicContact CG1-CD2 4.05Å; V1059-L1159 HydrophobicContact CG2-CD2 4.21Å; V1059-L1171 HydrophobicContact CG1-CD2 4.08Å; V1059-V1173 HydrophobicContact CG1-CG2 4.49Å; V1059-V1173 HydrophobicContact CG2-CG1 3.82Å; V1059-V1173 HydrophobicContact CG2-CG2 4.28Å |
| 1060 | T | 95.5 | Very high | 82.5 | Confident | 3.6 Ų | 3.6 | 38.5 Ų | 38.5 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.3 | 171.9 | 52.4 | 0 | 0 | 0 | 0 | 110 | V1021 A1037 C1038 F1040 H1062 E1074 D1076 T1077 | V1021-T1060 HydrophobicContact CG1-CG2 4.33Å; A1037-T1060 CarbonylContact C-O 3.59Å; A1037-T1060 VanDerWaalsContact CA-O 3.29Å; A1037-T1060 WeakPolarHBondContact CA-O 3.4Å; C1038-T1060 PolarHBondContact N-O 3.11Å; C1038-T1060 PolarHBondContact O-N 3.22Å; C1038-T1060 PolarHBondContact O-OG1 2.93Å; F1040-T1060 HydrophobicContact CD1-CG2 4.44Å; F1040-T1060 HydrophobicContact CE1-CG2 3.45Å; F1040-T1060 VanDerWaalsContact CE1-CG2 3.43Å; F1040-T1060 HydrophobicContact CZ-CG2 3.95Å; T1060-H1062 VanDerWaalsContact CB-CE1 3.45Å; T1060-H1062 WeakPolarHBondContact CB-CE1 3.3Å; T1060-H1062 VanDerWaalsContact CB-NE2 3.27Å; T1060-H1062 WeakPolarHBondContact CB-NE2 3.39Å; T1060-H1062 PolarHBondContact OG1-CD2 3.14Å; T1060-H1062 VanDerWaalsContact OG1-CD2 3.32Å; T1060-H1062 PolarHBondContact OG1-CE1 2.9Å; T1060-H1062 PolarHBondContact OG1-NE2 3.31Å; T1060-E1074 HydrophobicContact CG2-CG 4.42Å; T1060-D1076 WeakPolarHBondContact CA-O 3.44Å; T1060-T1077 HydrophobicContact CG2-CG2 4.26Å; T1060-T1077 WeakPolarHBondContact CG2-OG1 3.45Å |
| 1061 | V | 95.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123 | 170 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | R1035 I1036 E1074 E1075 D1076 I1078 W1161 L1171 W1227 | R1035-V1061 HydrophobicContact CG-CG1 4.12Å; I1036-V1061 CarbonylContact O-C 3.56Å; I1036-V1061 WeakPolarHBondContact O-CA 3.4Å; V1061-E1074 CarbonylContact O-C 3.58Å; V1061-E1075 HydrophobicContact CB-CB 4.49Å; V1061-E1075 HydrophobicContact CG1-CB 4.4Å; V1061-E1075 WeakPolarHBondContact CG1-OE2 3.49Å; V1061-E1075 WeakPolarHBondContact O-CB 3.31Å; V1061-E1075 PolarHBondContact O-N 3.15Å; V1061-D1076 PolarHBondContact N-O 3.11Å; V1061-I1078 HydrophobicContact CG2-CD1 4.46Å; V1061-W1161 HydrophobicContact CG1-CH2 4.18Å; V1061-L1171 HydrophobicContact CG2-CD2 3.76Å; V1061-W1227 HydrophobicContact CG1-CZ2 3.87Å; V1061-W1227 HydrophobicContact CG2-CD2 4.26Å; V1061-W1227 HydrophobicContact CG2-CG 4.45Å |
| 1062 | H | 94.3 | Very high | 86.4 | Confident | 12.2 Ų | 12.2 | 31.6 Ų | 31.6 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.2 | 179 | -63.8 | -102.7 | 0 | 0 | 0 | 110.5 | F1019 R1035 I1036 T1060 W1072 I1073 E1074 | F1019-H1062 AromaticContact CD2-CE1 3.72Å; F1019-H1062 AromaticContact CD2-ND1 3.96Å; F1019-H1062 AromaticContact CD2-NE2 3.9Å; F1019-H1062 HydrophobicContact CE1-CB 4.31Å; F1019-H1062 AromaticContact CE2-CD2 3.5Å; F1019-H1062 VanDerWaalsContact CE2-CD2 3.46Å; F1019-H1062 WeakPolarHBondContact CE2-CD2 3.33Å; F1019-H1062 AromaticContact CE2-CE1 3.71Å; F1019-H1062 VanDerWaalsContact CE2-CE1 3.46Å; F1019-H1062 WeakPolarHBondContact CE2-CE1 3.45Å; F1019-H1062 AromaticContact CE2-CG 3.84Å; F1019-H1062 AromaticContact CE2-ND1 3.62Å; F1019-H1062 AromaticContact CE2-NE2 3.39Å; F1019-H1062 VanDerWaalsContact CE2-NE2 3.32Å; F1019-H1062 WeakPolarHBondContact CE2-NE2 3.32Å; F1019-H1062 HydrophobicContact CZ-CB 4.23Å; F1019-H1062 AromaticContact CZ-CD2 3.66Å; F1019-H1062 AromaticContact CZ-CG 3.76Å; F1019-H1062 AromaticContact CZ-ND1 3.66Å; F1019-H1062 AromaticContact CZ-NE2 3.98Å; R1035-H1062 CarbonylContact C-O 3.42Å; R1035-H1062 VanDerWaalsContact CA-O 3.3Å; R1035-H1062 WeakPolarHBondContact CA-O 3.38Å; I1036-H1062 HydrophobicContact CD1-CB 4.12Å; I1036-H1062 HydrophobicContact CG1-CB 3.79Å; I1036-H1062 PolarHBondContact N-O 2.98Å; I1036-H1062 PolarHBondContact O-N 3.08Å; T1060-H1062 VanDerWaalsContact CB-CE1 3.45Å; T1060-H1062 WeakPolarHBondContact CB-CE1 3.3Å; T1060-H1062 VanDerWaalsContact CB-NE2 3.27Å; T1060-H1062 WeakPolarHBondContact CB-NE2 3.39Å; T1060-H1062 PolarHBondContact OG1-CD2 3.14Å; T1060-H1062 VanDerWaalsContact OG1-CD2 3.32Å; T1060-H1062 PolarHBondContact OG1-CE1 2.9Å; T1060-H1062 PolarHBondContact OG1-NE2 3.31Å; H1062-W1072 HydrophobicContact CB-CE3 3.91Å; H1062-W1072 HydrophobicContact CB-CZ3 4.49Å; H1062-I1073 CarbonylContact C-O 3.52Å; H1062-I1073 VanDerWaalsContact CA-O 3.27Å; H1062-I1073 WeakPolarHBondContact CA-O 3.22Å; H1062-E1074 IonicContact CE1-OE2 3.32Å |
| 1063 | E | 92.3 | Very high | 87.9 | Confident | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.8 | 174.7 | 74.7 | 84.2 | -166.3 | 0 | 0 | 110.8 | G1034 R1035 E1065 S1066 I1073 E1075 | G1034-E1063 CarbonylContact O-C 3.54Å; G1034-E1063 VanDerWaalsContact O-CA 3.24Å; G1034-E1063 WeakPolarHBondContact O-CA 3.4Å; R1035-E1063 HydrophobicContact CG-CB 4.42Å; E1063-E1065 WeakPolarHBondContact OE2-CA 3.33Å; E1063-E1065 WeakPolarHBondContact OE2-CB 3.33Å; E1063-E1065 PolarHBondContact OE2-N 3.14Å; E1063-S1066 VanDerWaalsContact OE1-CB 3.25Å; E1063-S1066 WeakPolarHBondContact OE1-CB 3.32Å; E1063-S1066 PolarHBondContact OE1-N 3.5Å; E1063-S1066 PolarHBondContact OE1-OG 3.02Å; E1063-S1066 PolarHBondContact OE2-N 3.38Å; E1063-S1066 PolarHBondContact OE2-OG 3.22Å; E1063-I1073 HydrophobicContact CG-CB 4.4Å; E1063-I1073 PolarHBondContact N-O 3.05Å; E1063-I1073 PolarHBondContact O-N 3.22Å; E1063-E1075 HydrophobicContact CB-CG 4.01Å; E1063-E1075 WeakPolarHBondContact CB-OE1 3.41Å; E1063-E1075 HydrophobicContact CG-CB 4.35Å; E1063-E1075 HydrophobicContact CG-CG 3.64Å; E1063-E1075 WeakPolarHBondContact CG-OE1 3.38Å |
| 1064 | C | 89.8 | Confident | 89 | Confident | 6.6 Ų | 6.6 | 30.3 Ų | 30.3 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | trans | -129.9 | 7 | 176.3 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | M1010 G1034 T1067 G1068 G1069 E1071 W1072 | M1010-C1064 HydrophobicContact CE-CB 4Å; G1034-C1064 PolarHBondContact O-N 3.16Å; G1034-C1064 VanDerWaalsContact O-N 3.08Å; C1064-T1067 PolarHBondContact O-OG1 3.21Å; C1064-T1067 VanDerWaalsContact O-OG1 3.07Å; C1064-G1068 PolarHBondContact O-N 3.15Å; C1064-G1069 VanDerWaalsContact O-CA 3.3Å; C1064-G1069 WeakPolarHBondContact O-CA 3.22Å; C1064-G1069 PolarHBondContact O-N 3.01Å; C1064-E1071 WeakPolarHBondContact CA-O 3.4Å; C1064-E1071 VanDerWaalsContact CB-O 3.27Å; C1064-E1071 WeakPolarHBondContact CB-O 3.36Å; C1064-W1072 HydrophobicContact CB-CD2 4Å; C1064-W1072 HydrophobicContact CB-CE3 3.7Å; C1064-W1072 HydrophobicContact CB-CH2 4.36Å; C1064-W1072 HydrophobicContact CB-CZ3 3.9Å; C1064-W1072 VanDerWaalsContact SG-CZ3 3.59Å | ||
| 1065 | E | 85.9 | Confident | 89.5 | Confident | 85 Ų | 85 | 30.6 Ų | 30.6 | 40% | 0.397 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -37.5 | -177.6 | -83.2 | -175.1 | 142.8 | 0 | 0 | 111.6 | Y1032 R1035 E1063 T1067 G1068 F1934 | Y1032-E1065 VanDerWaalsContact CE2-CD 3.42Å; Y1032-E1065 HydrophobicContact CE2-CG 4.27Å; Y1032-E1065 WeakPolarHBondContact CE2-OE1 3.36Å; Y1032-E1065 VanDerWaalsContact CE2-OE2 3.25Å; Y1032-E1065 WeakPolarHBondContact CE2-OE2 3.32Å; Y1032-E1065 VanDerWaalsContact CZ-OE2 3.31Å; Y1032-E1065 VanDerWaalsContact OH-CD 3.31Å; Y1032-E1065 PolarHBondContact OH-OE1 3.17Å; Y1032-E1065 PolarHBondContact OH-OE2 3.18Å; R1035-E1065 IonicContact NH2-OE2 3.66Å; E1063-E1065 WeakPolarHBondContact OE2-CA 3.33Å; E1063-E1065 WeakPolarHBondContact OE2-CB 3.33Å; E1063-E1065 PolarHBondContact OE2-N 3.14Å; E1065-T1067 PolarHBondContact O-N 3.01Å; E1065-T1067 VanDerWaalsContact O-N 3.15Å; E1065-G1068 PolarHBondContact O-N 3.13Å; E1065-F1934 WeakPolarHBondContact O-CB 3.41Å; E1065-F1934 WeakPolarHBondContact O-CD1 3.45Å |
| 1066 | S | 84.6 | Confident | 90 | Very high | 50.8 Ų | 50.8 | 30.9 Ų | 30.9 | 36% | 0.355 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19 | 179.8 | 76.9 | 0 | 0 | 0 | 0 | 113.2 | E1063 I1073 F1934 N1935 S1938 | E1063-S1066 VanDerWaalsContact OE1-CB 3.25Å; E1063-S1066 WeakPolarHBondContact OE1-CB 3.32Å; E1063-S1066 PolarHBondContact OE1-N 3.5Å; E1063-S1066 PolarHBondContact OE1-OG 3.02Å; E1063-S1066 PolarHBondContact OE2-N 3.38Å; E1063-S1066 PolarHBondContact OE2-OG 3.22Å; S1066-I1073 WeakPolarHBondContact OG-CD1 3.41Å; S1066-F1934 CarbonylContact O-C 3.23Å; S1066-F1934 VanDerWaalsContact O-C 3.3Å; S1066-N1935 WeakPolarHBondContact O-CA 3.39Å; S1066-N1935 WeakPolarHBondContact O-CB 2.78Å; S1066-N1935 PolarHBondContact O-N 3.41Å; S1066-S1938 WeakPolarHBondContact CB-OG 3.47Å |
| 1067 | T | 85.4 | Confident | 90.2 | Very high | 16.4 Ų | 16.4 | 31 Ų | 31 | 10% | 0.101 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.8 | 175.3 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | C1064 E1065 G1069 I1070 E1071 I1073 | C1064-T1067 PolarHBondContact O-OG1 3.21Å; C1064-T1067 VanDerWaalsContact O-OG1 3.07Å; E1065-T1067 PolarHBondContact O-N 3.01Å; E1065-T1067 VanDerWaalsContact O-N 3.15Å; T1067-G1069 VanDerWaalsContact C-N 3.3Å; T1067-I1070 WeakPolarHBondContact O-CD1 3.33Å; T1067-I1070 VanDerWaalsContact O-CG1 3.27Å; T1067-I1070 WeakPolarHBondContact O-CG1 3.32Å; T1067-I1070 PolarHBondContact OG1-N 3.07Å; T1067-E1071 HydrophobicContact CG2-CG 3.56Å; T1067-E1071 VanDerWaalsContact CG2-CG 3.4Å; T1067-E1071 PolarHBondContact OG1-N 3.28Å; T1067-E1071 PolarHBondContact OG1-O 2.99Å; T1067-I1073 HydrophobicContact CG2-CD1 3.26Å; T1067-I1073 HydrophobicContact CG2-CG1 3.77Å |
| 1068 | G | 83.2 | Confident | 90.3 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 38% | 0.381 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 21.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1064 E1065 R1930 F1934 | C1064-G1068 PolarHBondContact O-N 3.15Å; E1065-G1068 PolarHBondContact O-N 3.13Å; G1068-R1930 VanDerWaalsContact O-CZ 3.23Å; G1068-R1930 PolarHBondContact O-NE 3.07Å; G1068-R1930 PolarHBondContact O-NH2 3.03Å; G1068-F1934 VanDerWaalsContact CA-CD1 3.49Å |
| 1069 | G | 83.6 | Confident | 90.2 | Very high | 11.2 Ų | 11.2 | 38.5 Ų | 38.5 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 83.1 | 24.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1010 F1011 C1064 T1067 | M1010-G1069 VanDerWaalsContact CB-O 3.28Å; M1010-G1069 WeakPolarHBondContact CB-O 3.25Å; M1010-G1069 WeakPolarHBondContact CG-O 3.33Å; F1011-G1069 PolarHBondContact N-O 3.26Å; C1064-G1069 VanDerWaalsContact O-CA 3.3Å; C1064-G1069 WeakPolarHBondContact O-CA 3.22Å; C1064-G1069 PolarHBondContact O-N 3.01Å; T1067-G1069 VanDerWaalsContact C-N 3.3Å |
| 1070 | I | 86.5 | Confident | 89.9 | Confident | 54.8 Ų | 54.8 | 39 Ų | 39 | 28% | 0.281 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -93.1 | -34 | 179.9 | -45.6 | 174.2 | 0 | 0 | 0 | 111.5 | M1010 F1011 N1012 T1067 A1927 R1930 K1931 | M1010-I1070 VanDerWaalsContact SD-O 3.38Å; F1011-I1070 HydrophobicContact CB-CG1 4.13Å; F1011-I1070 HydrophobicContact CB-CG2 4.38Å; N1012-I1070 HydrophobicContact CB-CG2 4Å; N1012-I1070 WeakPolarHBondContact CB-O 3.36Å; N1012-I1070 PolarHBondContact ND2-O 3.05Å; N1012-I1070 VanDerWaalsContact ND2-O 3.07Å; T1067-I1070 WeakPolarHBondContact O-CD1 3.33Å; T1067-I1070 VanDerWaalsContact O-CG1 3.27Å; T1067-I1070 WeakPolarHBondContact O-CG1 3.32Å; T1067-I1070 PolarHBondContact OG1-N 3.07Å; I1070-A1927 HydrophobicContact CD1-CB 4.33Å; I1070-A1927 WeakPolarHBondContact CD1-O 3.27Å; I1070-R1930 HydrophobicContact CD1-CB 4.19Å; I1070-R1930 HydrophobicContact CD1-CG 4.24Å; I1070-K1931 HydrophobicContact CD1-CB 3.67Å; I1070-K1931 HydrophobicContact CD1-CG 4.36Å |
| 1071 | E | 88.9 | Confident | 89.4 | Confident | 95.4 Ų | 95.4 | 42.5 Ų | 42.5 | 45% | 0.446 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -149.4 | 155 | 177.9 | 67.2 | -176.6 | 179.3 | 0 | 0 | 111.1 | C1064 T1067 I1073 K1931 | C1064-E1071 WeakPolarHBondContact CA-O 3.4Å; C1064-E1071 VanDerWaalsContact CB-O 3.27Å; C1064-E1071 WeakPolarHBondContact CB-O 3.36Å; T1067-E1071 HydrophobicContact CG2-CG 3.56Å; T1067-E1071 VanDerWaalsContact CG2-CG 3.4Å; T1067-E1071 PolarHBondContact OG1-N 3.28Å; T1067-E1071 PolarHBondContact OG1-O 2.99Å; E1071-I1073 HydrophobicContact CG-CG1 4.38Å; E1071-K1931 VanDerWaalsContact OE1-CE 3.25Å; E1071-K1931 WeakPolarHBondContact OE1-CE 3.35Å; E1071-K1931 IonicContact OE1-NZ 2.84Å; E1071-K1931 PolarHBondContact OE1-NZ 2.86Å; E1071-K1931 IonicContact OE2-NZ 3.02Å |
| 1072 | W | 91.5 | Very high | 88.7 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | trans | -84 | 127 | 168.8 | -72 | 107.9 | 0 | 0 | 0 | 110.1 | Y975 F988 W1008 M1010 S1017 F1019 I1036 H1062 C1064 | Y975-W1072 HydrophobicContact CE1-CZ2 4.33Å; F988-W1072 HydrophobicContact CD1-CZ2 4.42Å; F988-W1072 HydrophobicContact CD2-CZ2 4.44Å; F988-W1072 AromaticContact CD2-NE1 3.97Å; F988-W1072 HydrophobicContact CE1-CH2 4.4Å; F988-W1072 AromaticContact CE1-CZ2 3.62Å; F988-W1072 HydrophobicContact CE1-CZ2 3.97Å; F988-W1072 AromaticContact CE2-CD1 3.98Å; F988-W1072 AromaticContact CE2-CE2 3.76Å; F988-W1072 AromaticContact CE2-CZ2 3.94Å; F988-W1072 HydrophobicContact CE2-CZ2 3.94Å; F988-W1072 AromaticContact CE2-NE1 3.23Å; F988-W1072 VanDerWaalsContact CE2-NE1 3.28Å; F988-W1072 HydrophobicContact CZ-CD2 4.41Å; F988-W1072 AromaticContact CZ-CE2 3.72Å; F988-W1072 HydrophobicContact CZ-CH2 4.31Å; F988-W1072 AromaticContact CZ-CZ2 3.58Å; F988-W1072 HydrophobicContact CZ-CZ2 3.58Å; F988-W1072 AromaticContact CZ-NE1 3.67Å; F988-W1072 VanDerWaalsContact CZ-NE1 3.29Å; W1008-W1072 HydrophobicContact CZ3-CZ2 4.43Å; M1010-W1072 HydrophobicContact CE-CD2 4Å; M1010-W1072 HydrophobicContact CE-CG 3.97Å; M1010-W1072 HydrophobicContact CE-CZ2 4.21Å; S1017-W1072 VanDerWaalsContact O-CD1 3.26Å; S1017-W1072 PolarHBondContact O-NE1 3.06Å; S1017-W1072 VanDerWaalsContact O-NE1 3.08Å; F1019-W1072 HydrophobicContact CD1-CB 4.19Å; F1019-W1072 AromaticContact CD1-CD1 3.67Å; F1019-W1072 VanDerWaalsContact CD1-CD1 3.42Å; F1019-W1072 HydrophobicContact CD1-CD2 4.22Å; F1019-W1072 AromaticContact CD1-CG 3.76Å; F1019-W1072 HydrophobicContact CD1-CG 3.83Å; F1019-W1072 AromaticContact CD1-NE1 3.92Å; F1019-W1072 HydrophobicContact CE1-CB 4.35Å; F1019-W1072 AromaticContact CE1-CD1 3.99Å; F1019-W1072 HydrophobicContact CE1-CD2 4.21Å; F1019-W1072 AromaticContact CE1-CG 3.88Å; F1019-W1072 HydrophobicContact CE1-CG 4.09Å; F1019-W1072 HydrophobicContact CG-CB 4.34Å; F1019-W1072 HydrophobicContact CG-CG 4.46Å; I1036-W1072 HydrophobicContact CD1-CD2 4.25Å; I1036-W1072 HydrophobicContact CD1-CE3 4.23Å; I1036-W1072 HydrophobicContact CD1-CH2 3.5Å; I1036-W1072 VanDerWaalsContact CD1-CH2 3.41Å; I1036-W1072 HydrophobicContact CD1-CZ2 3.75Å; I1036-W1072 VanDerWaalsContact CD1-CZ2 3.47Å; I1036-W1072 HydrophobicContact CD1-CZ3 3.84Å; I1036-W1072 HydrophobicContact CG1-CE3 4.36Å; I1036-W1072 HydrophobicContact CG1-CH2 3.98Å; I1036-W1072 HydrophobicContact CG1-CZ2 4.46Å; I1036-W1072 HydrophobicContact CG1-CZ3 4.03Å; I1036-W1072 HydrophobicContact CG2-CH2 4Å; I1036-W1072 HydrophobicContact CG2-CZ3 4.38Å; H1062-W1072 HydrophobicContact CB-CE3 3.91Å; H1062-W1072 HydrophobicContact CB-CZ3 4.49Å; C1064-W1072 HydrophobicContact CB-CD2 4Å; C1064-W1072 HydrophobicContact CB-CE3 3.7Å; C1064-W1072 HydrophobicContact CB-CH2 4.36Å; C1064-W1072 HydrophobicContact CB-CZ3 3.9Å; C1064-W1072 VanDerWaalsContact SG-CZ3 3.59Å | ||
| 1073 | I | 90.8 | Very high | 88.2 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.3 | 171.5 | -65.1 | 177.6 | 0 | 0 | 0 | 108.4 | H1062 E1063 S1066 T1067 E1071 E1075 | H1062-I1073 CarbonylContact C-O 3.52Å; H1062-I1073 VanDerWaalsContact CA-O 3.27Å; H1062-I1073 WeakPolarHBondContact CA-O 3.22Å; E1063-I1073 HydrophobicContact CG-CB 4.4Å; E1063-I1073 PolarHBondContact N-O 3.05Å; E1063-I1073 PolarHBondContact O-N 3.22Å; S1066-I1073 WeakPolarHBondContact OG-CD1 3.41Å; T1067-I1073 HydrophobicContact CG2-CD1 3.26Å; T1067-I1073 HydrophobicContact CG2-CG1 3.77Å; E1071-I1073 HydrophobicContact CG-CG1 4.38Å; I1073-E1075 PolarHBondContact O-N 3.32Å |
| 1074 | E | 91.9 | Very high | 87.5 | Confident | 96.6 Ų | 96.6 | 48 Ų | 48 | 45% | 0.451 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 110.6 | 166 | -172.3 | -172.5 | 128.5 | 0 | 0 | 109.2 | T1060 V1061 H1062 T1077 | T1060-E1074 HydrophobicContact CG2-CG 4.42Å; V1061-E1074 CarbonylContact O-C 3.58Å; H1062-E1074 IonicContact CE1-OE2 3.32Å; E1074-T1077 VanDerWaalsContact CD-OG1 3.28Å; E1074-T1077 WeakPolarHBondContact OE1-CB 3.49Å; E1074-T1077 PolarHBondContact OE1-N 2.87Å; E1074-T1077 PolarHBondContact OE1-OG1 2.91Å; E1074-T1077 PolarHBondContact OE2-OG1 3.13Å |
| 1075 | E | 88.9 | Confident | 86.8 | Confident | 22.6 Ų | 22.6 | 48.2 Ų | 48.2 | 11% | 0.106 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -50.3 | 178.2 | -130 | -175.6 | 151.3 | 0 | 0 | 110.4 | R1035 V1061 E1063 I1073 V1225 W1227 | R1035-E1075 IonicContact CZ-OE1 3.45Å; R1035-E1075 VanDerWaalsContact CZ-OE1 3.26Å; R1035-E1075 IonicContact CZ-OE2 3.68Å; R1035-E1075 IonicContact NE-OE1 3.63Å; R1035-E1075 PolarHBondContact NE-OE1 2.86Å; R1035-E1075 IonicContact NE-OE2 3.74Å; R1035-E1075 PolarHBondContact NE-OE2 3.15Å; R1035-E1075 IonicContact NH2-OE1 3.48Å; R1035-E1075 PolarHBondContact NH2-OE1 3.03Å; R1035-E1075 IonicContact NH2-OE2 2.93Å; V1061-E1075 HydrophobicContact CB-CB 4.49Å; V1061-E1075 HydrophobicContact CG1-CB 4.4Å; V1061-E1075 WeakPolarHBondContact CG1-OE2 3.49Å; V1061-E1075 WeakPolarHBondContact O-CB 3.31Å; V1061-E1075 PolarHBondContact O-N 3.15Å; E1063-E1075 HydrophobicContact CB-CG 4.01Å; E1063-E1075 WeakPolarHBondContact CB-OE1 3.41Å; E1063-E1075 HydrophobicContact CG-CB 4.35Å; E1063-E1075 HydrophobicContact CG-CG 3.64Å; E1063-E1075 WeakPolarHBondContact CG-OE1 3.38Å; I1073-E1075 PolarHBondContact O-N 3.32Å; E1075-V1225 HydrophobicContact CB-CB 4.39Å; E1075-V1225 HydrophobicContact CG-CB 4.26Å; E1075-V1225 HydrophobicContact CG-CG1 4.5Å; E1075-V1225 WeakPolarHBondContact OE1-CB 3.39Å; E1075-V1225 WeakPolarHBondContact OE1-CG1 3.36Å; E1075-W1227 VanDerWaalsContact CD-NE1 3.31Å; E1075-W1227 PolarHBondContact OE1-NE1 3.07Å; E1075-W1227 PolarHBondContact OE2-NE1 2.81Å |
| 1076 | D | 91.3 | Very high | 85.9 | Confident | 28.4 Ų | 28.4 | 49 Ų | 49 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 158.4 | 178.3 | -157 | 2.2 | 0 | 0 | 0 | 112.2 | T1060 V1061 K1223 R1226 W1227 | T1060-D1076 WeakPolarHBondContact CA-O 3.44Å; V1061-D1076 PolarHBondContact N-O 3.11Å; D1076-K1223 IonicContact OD1-NZ 3.68Å; D1076-R1226 WeakPolarHBondContact OD2-CA 3.38Å; D1076-W1227 HydrophobicContact CB-CB 4.33Å; D1076-W1227 HydrophobicContact CB-CG 4.27Å; D1076-W1227 PolarHBondContact OD2-N 3.15Å |
| 1077 | T | 93 | Very high | 84.8 | Confident | 23.8 Ų | 23.8 | 49.8 Ų | 49.8 | 15% | 0.146 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 107.9 | 173.3 | -74.7 | 0 | 0 | 0 | 0 | 109.9 | N1058 T1060 E1074 R1079 | N1058-T1077 HydrophobicContact CB-CG2 4.47Å; T1060-T1077 HydrophobicContact CG2-CG2 4.26Å; T1060-T1077 WeakPolarHBondContact CG2-OG1 3.45Å; E1074-T1077 VanDerWaalsContact CD-OG1 3.28Å; E1074-T1077 WeakPolarHBondContact OE1-CB 3.49Å; E1074-T1077 PolarHBondContact OE1-N 2.87Å; E1074-T1077 PolarHBondContact OE1-OG1 2.91Å; E1074-T1077 PolarHBondContact OE2-OG1 3.13Å; T1077-R1079 HydrophobicContact CG2-CG 4Å; T1077-R1079 PolarHBondContact O-N 3.16Å |
| 1078 | I | 93.5 | Very high | 83.2 | Confident | 9.4 Ų | 9.4 | 51.8 Ų | 51.8 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 113.4 | 176 | -59 | 165.8 | 0 | 0 | 0 | 108.4 | N1058 V1059 V1061 L1080 L1171 Y1182 W1227 | N1058-I1078 CarbonylContact C-O 3.51Å; N1058-I1078 WeakPolarHBondContact CA-O 3.3Å; V1059-I1078 HydrophobicContact CB-CB 4.29Å; V1059-I1078 PolarHBondContact N-O 3.15Å; V1059-I1078 PolarHBondContact O-N 3.16Å; V1061-I1078 HydrophobicContact CG2-CD1 4.46Å; I1078-L1080 HydrophobicContact CG2-CD2 4.27Å; I1078-L1080 HydrophobicContact CG2-CG 4.26Å; I1078-L1171 HydrophobicContact CD1-CD2 3.91Å; I1078-Y1182 HydrophobicContact CD1-CD1 3.76Å; I1078-Y1182 HydrophobicContact CD1-CD2 3.94Å; I1078-Y1182 HydrophobicContact CD1-CE1 4.06Å; I1078-Y1182 HydrophobicContact CD1-CE2 4.2Å; I1078-Y1182 HydrophobicContact CD1-CG 3.73Å; I1078-Y1182 HydrophobicContact CG1-CD1 4.19Å; I1078-Y1182 HydrophobicContact CG1-CE1 4.14Å; I1078-Y1182 HydrophobicContact CG2-CD1 4.42Å; I1078-Y1182 HydrophobicContact CG2-CE1 3.66Å; I1078-Y1182 HydrophobicContact CG2-CE2 3.84Å; I1078-Y1182 VanDerWaalsContact CG2-OH 3.28Å; I1078-Y1182 WeakPolarHBondContact CG2-OH 3.36Å; I1078-W1227 HydrophobicContact CD1-CB 4.23Å; I1078-W1227 HydrophobicContact CG1-CB 4.28Å |
| 1079 | R | 91.9 | Very high | 81.3 | Confident | 162.6 Ų | 162.6 | 53.8 Ų | 53.8 | 61% | 0.614 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 111.4 | -179.3 | -59.9 | -178 | -177.6 | 174.1 | -2 | 111.1 | N1058 T1077 | N1058-R1079 WeakPolarHBondContact OD1-CA 3.42Å; T1077-R1079 HydrophobicContact CG2-CG 4Å; T1077-R1079 PolarHBondContact O-N 3.16Å |
| 1080 | L | 89.8 | Confident | 79.1 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 100.4 | 177.1 | -60.2 | 175.2 | 0 | 0 | 0 | 109.6 | N1056 V1057 I1078 I1083 V1173 V1175 F1180 Y1182 L1286 | N1056-L1080 WeakPolarHBondContact CA-O 3.38Å; V1057-L1080 PolarHBondContact N-O 3.02Å; V1057-L1080 WeakPolarHBondContact O-CA 3.33Å; V1057-L1080 VanDerWaalsContact O-CB 3.25Å; V1057-L1080 WeakPolarHBondContact O-CB 3.34Å; V1057-L1080 PolarHBondContact O-N 3Å; I1078-L1080 HydrophobicContact CG2-CD2 4.27Å; I1078-L1080 HydrophobicContact CG2-CG 4.26Å; L1080-I1083 HydrophobicContact CB-CD1 3.73Å; L1080-I1083 HydrophobicContact CB-CG1 4.22Å; L1080-I1083 HydrophobicContact CD1-CD1 3.95Å; L1080-I1083 HydrophobicContact CD2-CD1 4.35Å; L1080-I1083 HydrophobicContact CG-CD1 4.19Å; L1080-V1173 HydrophobicContact CD1-CB 4.44Å; L1080-V1173 HydrophobicContact CD1-CG1 3.71Å; L1080-V1175 HydrophobicContact CD1-CG2 3.71Å; L1080-F1180 HydrophobicContact CD1-CD2 4.11Å; L1080-F1180 HydrophobicContact CD1-CE2 4.23Å; L1080-F1180 HydrophobicContact CD2-CD2 4.23Å; L1080-F1180 HydrophobicContact CD2-CE1 4.49Å; L1080-F1180 HydrophobicContact CD2-CE2 4.16Å; L1080-F1180 HydrophobicContact CD2-CG 4.45Å; L1080-F1180 HydrophobicContact CD2-CZ 4.36Å; L1080-Y1182 WeakPolarHBondContact CD2-OH 3.37Å; L1080-L1286 HydrophobicContact CD2-CD2 3.97Å |
| 1081 | H | 84.8 | Confident | 76.7 | Confident | 77.4 Ų | 77.4 | 63.6 Ų | 63.6 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 143.2 | -177 | -64.9 | -53.7 | 0 | 0 | 0 | 112.8 | N1056 I1083 | N1056-H1081 VanDerWaalsContact OD1-CA 3.28Å; N1056-H1081 WeakPolarHBondContact OD1-CA 3.35Å; N1056-H1081 PolarHBondContact OD1-ND1 3.14Å; H1081-I1083 VanDerWaalsContact C-N 3.3Å; H1081-I1083 PolarHBondContact O-N 3.13Å |
| 1082 | N | 81 | Confident | 74.1 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 42.4 | 175.1 | -57 | -38.2 | 0 | 0 | 0 | 113.6 | P1046 V1055 N1056 P1084 | P1046-N1082 WeakPolarHBondContact CB-OD1 3.27Å; V1055-N1082 PolarHBondContact O-N 2.99Å; N1056-N1082 PolarHBondContact OD1-N 2.98Å; N1056-N1082 PolarHBondContact OD1-OD1 3.36Å; N1082-P1084 WeakPolarHBondContact O-CD 3.42Å |
| 1083 | I | 82.7 | Confident | 71.5 | Confident | 7.8 Ų | 7.8 | 65.7 Ų | 65.7 | 4% | 0.04 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 122.3 | 175.6 | -67.1 | -157.8 | 0 | 0 | 0 | 108.9 | S1054 V1055 L1080 H1081 I1085 V1175 L1178 F1180 L1284 | S1054-I1083 CarbonylContact C-O 3.55Å; S1054-I1083 VanDerWaalsContact CA-O 3.29Å; S1054-I1083 WeakPolarHBondContact CA-O 3.44Å; V1055-I1083 HydrophobicContact CG2-CB 4.17Å; V1055-I1083 HydrophobicContact CG2-CG2 4.43Å; V1055-I1083 PolarHBondContact N-O 3.08Å; V1055-I1083 PolarHBondContact O-N 3.37Å; L1080-I1083 HydrophobicContact CB-CD1 3.73Å; L1080-I1083 HydrophobicContact CB-CG1 4.22Å; L1080-I1083 HydrophobicContact CD1-CD1 3.95Å; L1080-I1083 HydrophobicContact CD2-CD1 4.35Å; L1080-I1083 HydrophobicContact CG-CD1 4.19Å; H1081-I1083 VanDerWaalsContact C-N 3.3Å; H1081-I1083 PolarHBondContact O-N 3.13Å; I1083-I1085 PolarHBondContact O-N 3.07Å; I1083-V1175 HydrophobicContact CB-CG1 4.22Å; I1083-V1175 HydrophobicContact CD1-CB 3.69Å; I1083-V1175 HydrophobicContact CD1-CG1 3.81Å; I1083-V1175 HydrophobicContact CD1-CG2 4.12Å; I1083-V1175 HydrophobicContact CG1-CG1 4.22Å; I1083-V1175 HydrophobicContact CG2-CB 4.32Å; I1083-V1175 HydrophobicContact CG2-CG1 3.93Å; I1083-L1178 HydrophobicContact CD1-CD1 4.47Å; I1083-L1178 HydrophobicContact CG2-CD1 4.23Å; I1083-F1180 HydrophobicContact CD1-CE2 3.76Å; I1083-F1180 HydrophobicContact CD1-CZ 4.01Å; I1083-L1284 HydrophobicContact CG1-CD2 4.3Å |
| 1084 | P | 79.1 | Confident | 68.9 | Low | 67.2 Ų | 67.2 | 70 Ų | 70 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 131.3 | 179.1 | 28.8 | -33.8 | 0 | 0 | 0 | 110.6 | N1053 N1082 | N1053-P1084 CarbonylContact O-C 3.54Å; N1053-P1084 WeakPolarHBondContact O-CA 3.4Å; N1082-P1084 WeakPolarHBondContact O-CD 3.42Å |
| 1085 | I | 74.8 | Confident | 66.2 | Low | 10.6 Ų | 10.6 | 70.1 Ų | 70.1 | 5% | 0.054 | 37% | 0.365 | C | S | . | . | trans | -108.9 | 118.7 | 170 | -61.4 | -172.4 | 0 | 0 | 0 | 108 | N1053 V1055 I1083 R1087 I1151 V1156 | N1053-I1085 WeakPolarHBondContact CB-O 3.35Å; N1053-I1085 PolarHBondContact O-N 3.05Å; N1053-I1085 VanDerWaalsContact O-O 3.13Å; V1055-I1085 HydrophobicContact CB-CD1 3.99Å; V1055-I1085 HydrophobicContact CB-CG1 4.27Å; V1055-I1085 HydrophobicContact CG1-CD1 3.79Å; V1055-I1085 VanDerWaalsContact CG1-CD1 3.41Å; V1055-I1085 HydrophobicContact CG1-CG1 4.06Å; V1055-I1085 HydrophobicContact CG2-CD1 3.39Å; V1055-I1085 HydrophobicContact CG2-CG1 4.01Å; I1083-I1085 PolarHBondContact O-N 3.07Å; I1085-R1087 HydrophobicContact CG2-CG 4.3Å; I1085-R1087 PolarHBondContact O-N 3.14Å; I1085-R1087 VanDerWaalsContact O-N 3.16Å; I1085-I1151 HydrophobicContact CG2-CD1 4.48Å; I1085-V1156 HydrophobicContact CD1-CB 4.41Å; I1085-V1156 HydrophobicContact CD1-CG1 4.26Å; I1085-V1156 HydrophobicContact CD1-CG2 3.98Å | ||
| 1086 | Q | 67.3 | Low | 63.5 | Low | 100.8 Ų | 100.8 | 77.5 Ų | 77.5 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | trans | -66.8 | 115 | 168.5 | -66.4 | 179.2 | 4.5 | 0 | 0 | 108.7 | P1242 P1243 | Q1086-P1242 HydrophobicContact CB-CB 4.19Å; Q1086-P1242 HydrophobicContact CB-CG 4.45Å; Q1086-P1242 VanDerWaalsContact O-CB 3.24Å; Q1086-P1242 WeakPolarHBondContact O-CB 3.39Å; Q1086-P1242 WeakPolarHBondContact O-CG 3.41Å; Q1086-P1243 VanDerWaalsContact OE1-CD 3.25Å | ||
| 1087 | R | 60 | Low | 60.7 | Low | 66.8 Ų | 66.8 | 80.6 Ų | 80.6 | 25% | 0.252 | 42% | 0.424 | S | S | . | . | trans | -105 | 140.5 | 170.3 | -66.8 | -172 | -175.7 | -163.9 | 2 | 108.9 | V1052 N1053 I1085 A1089 S1140 C1141 D1150 I1151 | V1052-R1087 PolarHBondContact O-NH2 3.38Å; N1053-R1087 WeakPolarHBondContact OD1-CB 3.36Å; N1053-R1087 WeakPolarHBondContact OD1-CD 3.45Å; N1053-R1087 WeakPolarHBondContact OD1-CG 3.22Å; N1053-R1087 PolarHBondContact OD1-NE 3.4Å; I1085-R1087 HydrophobicContact CG2-CG 4.3Å; I1085-R1087 PolarHBondContact O-N 3.14Å; I1085-R1087 VanDerWaalsContact O-N 3.16Å; R1087-A1089 PolarHBondContact O-N 3.25Å; R1087-A1089 VanDerWaalsContact O-N 3.13Å; R1087-S1140 PolarHBondContact NH1-O 2.93Å; R1087-S1140 VanDerWaalsContact NH1-O 3.14Å; R1087-S1140 PolarHBondContact NH1-OG 3.04Å; R1087-S1140 PolarHBondContact NH2-OG 2.7Å; R1087-C1141 CarbonylContact C-O 3.57Å; R1087-C1141 VanDerWaalsContact CA-O 3.22Å; R1087-C1141 WeakPolarHBondContact CA-O 3.26Å; R1087-C1141 WeakPolarHBondContact CB-O 3.35Å; R1087-D1150 IonicContact NH1-OD1 3.18Å; R1087-D1150 IonicContact NH2-OD1 3.97Å; R1087-I1151 HydrophobicContact CG-CD1 3.81Å; R1087-I1151 VanDerWaalsContact NE-CD1 3.29Å | ||
| 1088 | I | 53.1 | Low | 57.6 | Low | 58.6 Ų | 58.6 | 86.9 Ų | 86.9 | 30% | 0.301 | 45% | 0.45 | S | S | . | . | trans | -69.3 | 111.5 | 174.5 | -57.2 | 174 | 0 | 0 | 0 | 108 | Y1090 C1141 Y1142 L1241 P1242 | I1088-Y1090 VanDerWaalsContact C-N 3.29Å; I1088-Y1090 HydrophobicContact CG2-CD1 3.17Å; I1088-Y1090 HydrophobicContact CG2-CD2 3.82Å; I1088-Y1090 HydrophobicContact CG2-CE1 3.34Å; I1088-Y1090 HydrophobicContact CG2-CE2 3.44Å; I1088-Y1090 VanDerWaalsContact CG2-CE2 3.44Å; I1088-Y1090 HydrophobicContact CG2-CG 3.2Å; I1088-Y1090 VanDerWaalsContact CG2-CZ 3.49Å; I1088-Y1090 WeakPolarHBondContact CG2-O 3.19Å; I1088-Y1090 PolarHBondContact O-N 3.08Å; I1088-Y1090 VanDerWaalsContact O-N 3.16Å; I1088-C1141 PolarHBondContact N-O 3.14Å; I1088-Y1142 HydrophobicContact CB-CD1 4.45Å; I1088-Y1142 HydrophobicContact CB-CG 4.33Å; I1088-Y1142 HydrophobicContact CD1-CD1 4.15Å; I1088-Y1142 HydrophobicContact CD1-CD2 3.68Å; I1088-Y1142 HydrophobicContact CD1-CE1 4.48Å; I1088-Y1142 HydrophobicContact CD1-CE2 4.2Å; I1088-Y1142 HydrophobicContact CD1-CG 3.68Å; I1088-Y1142 VanDerWaalsContact CD1-CG 3.45Å; I1088-Y1142 HydrophobicContact CG1-CD1 3.99Å; I1088-Y1142 HydrophobicContact CG1-CD2 4.11Å; I1088-Y1142 HydrophobicContact CG1-CG 3.9Å; I1088-Y1142 HydrophobicContact CG2-CD1 4.41Å; I1088-Y1142 HydrophobicContact CG2-CE1 4.28Å; I1088-L1241 HydrophobicContact CD1-CD2 3.85Å; I1088-P1242 VanDerWaalsContact CD1-CD 3.45Å; I1088-P1242 HydrophobicContact CD1-CG 4.16Å; I1088-P1242 HydrophobicContact CG1-CG 3.69Å; I1088-P1242 VanDerWaalsContact CG1-CG 3.42Å | ||
| 1089 | A | 42.9 | Very low | 54.6 | Low | 79.4 Ų | 79.4 | 90.7 Ų | 90.7 | 66% | 0.656 | 48% | 0.477 | S | S | * | . | trans | -75.8 | 46.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1087 F1091 | R1087-A1089 PolarHBondContact O-N 3.25Å; R1087-A1089 VanDerWaalsContact O-N 3.13Å; A1089-F1091 HydrophobicContact CB-CD2 4.45Å; A1089-F1091 HydrophobicContact CB-CE2 4.16Å; A1089-F1091 WeakPolarHBondContact O-CD2 3.47Å; A1089-F1091 PolarHBondContact O-N 3.18Å; A1089-F1091 VanDerWaalsContact O-N 3.1Å | ||
| 1090 | Y | 38.2 | Very low | 51.6 | Low | 133.8 Ų | 133.8 | 89.7 Ų | 89.7 | 53% | 0.525 | 48% | 0.483 | S | S | . | . | trans | -80.8 | 113.9 | -176.7 | -163.9 | -82.9 | 0 | 0 | 0 | 109.8 | I1088 P1092 V1138 R1139 S1140 C1141 Y1142 | I1088-Y1090 VanDerWaalsContact C-N 3.29Å; I1088-Y1090 HydrophobicContact CG2-CD1 3.17Å; I1088-Y1090 HydrophobicContact CG2-CD2 3.82Å; I1088-Y1090 HydrophobicContact CG2-CE1 3.34Å; I1088-Y1090 HydrophobicContact CG2-CE2 3.44Å; I1088-Y1090 VanDerWaalsContact CG2-CE2 3.44Å; I1088-Y1090 HydrophobicContact CG2-CG 3.2Å; I1088-Y1090 VanDerWaalsContact CG2-CZ 3.49Å; I1088-Y1090 WeakPolarHBondContact CG2-O 3.19Å; I1088-Y1090 PolarHBondContact O-N 3.08Å; I1088-Y1090 VanDerWaalsContact O-N 3.16Å; Y1090-P1092 HydrophobicContact CD1-CB 4.47Å; Y1090-P1092 HydrophobicContact CD1-CG 4.1Å; Y1090-P1092 VanDerWaalsContact CE1-CA 3.41Å; Y1090-P1092 HydrophobicContact CE1-CB 3.93Å; Y1090-P1092 HydrophobicContact CE1-CG 4.01Å; Y1090-P1092 WeakPolarHBondContact O-CD 3.33Å; Y1090-V1138 HydrophobicContact CD2-CG1 3.74Å; Y1090-V1138 WeakPolarHBondContact CD2-O 3.47Å; Y1090-V1138 HydrophobicContact CE2-CG1 3.38Å; Y1090-R1139 VanDerWaalsContact CB-CA 3.49Å; Y1090-S1140 VanDerWaalsContact CA-CB 3.49Å; Y1090-S1140 VanDerWaalsContact CB-N 3.29Å; Y1090-S1140 VanDerWaalsContact CD1-CA 3.48Å; Y1090-S1140 WeakPolarHBondContact O-CB 3.3Å; Y1090-C1141 HydrophobicContact CE1-CB 4.36Å; Y1090-C1141 VanDerWaalsContact CE1-SG 3.53Å; Y1090-Y1142 WeakPolarHBondContact O-CD1 2.86Å; Y1090-Y1142 VanDerWaalsContact O-CE1 3.26Å; Y1090-Y1142 WeakPolarHBondContact O-CE1 3.46Å | ||
| 1091 | F | 34.3 | Very low | 48.7 | Very low | 138.8 Ų | 138.8 | 94.5 Ų | 94.5 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | trans | -93.1 | 114.7 | 161 | -80.1 | -93.4 | 0 | 0 | 0 | 108.7 | A1089 S1093 R1139 Y1142 V1143 | A1089-F1091 HydrophobicContact CB-CD2 4.45Å; A1089-F1091 HydrophobicContact CB-CE2 4.16Å; A1089-F1091 WeakPolarHBondContact O-CD2 3.47Å; A1089-F1091 PolarHBondContact O-N 3.18Å; A1089-F1091 VanDerWaalsContact O-N 3.1Å; F1091-S1093 VanDerWaalsContact C-N 3.33Å; F1091-S1093 PolarHBondContact O-N 3.11Å; F1091-S1093 VanDerWaalsContact O-N 3.11Å; F1091-R1139 HydrophobicContact CB-CB 4.09Å; F1091-R1139 HydrophobicContact CB-CG 4.4Å; F1091-R1139 HydrophobicContact CD2-CG 4.22Å; F1091-R1139 HydrophobicContact CZ-CG 4.33Å; F1091-R1139 VanDerWaalsContact N-CB 3.35Å; F1091-R1139 CarbonylContact O-C 3.56Å; F1091-R1139 WeakPolarHBondContact O-CB 3.04Å; F1091-R1139 VanDerWaalsContact O-O 3.05Å; F1091-Y1142 HydrophobicContact CB-CD1 4.34Å; F1091-Y1142 VanDerWaalsContact CD2-CB 3.49Å; F1091-Y1142 AromaticContact CD2-CD1 3.38Å; F1091-Y1142 HydrophobicContact CD2-CD1 3.38Å; F1091-Y1142 HydrophobicContact CD2-CD2 4.45Å; F1091-Y1142 HydrophobicContact CD2-CE1 4.23Å; F1091-Y1142 AromaticContact CD2-CG 3.53Å; F1091-Y1142 HydrophobicContact CD2-CG 3.53Å; F1091-Y1142 AromaticContact CE2-CD1 3.75Å; F1091-Y1142 HydrophobicContact CE2-CD1 3.75Å; F1091-Y1142 AromaticContact CE2-CD2 3.99Å; F1091-Y1142 HydrophobicContact CE2-CD2 3.99Å; F1091-Y1142 AromaticContact CE2-CG 3.41Å; F1091-Y1142 HydrophobicContact CE2-CG 3.41Å; F1091-Y1142 VanDerWaalsContact CE2-CG 3.41Å; F1091-Y1142 AromaticContact CG-CD1 3.83Å; F1091-Y1142 HydrophobicContact CG-CD1 3.83Å; F1091-Y1142 HydrophobicContact CG-CE1 4.29Å; F1091-Y1142 HydrophobicContact CG-CG 4.36Å; F1091-Y1142 HydrophobicContact CZ-CD1 4.46Å; F1091-Y1142 HydrophobicContact CZ-CD2 4.34Å; F1091-Y1142 HydrophobicContact CZ-CG 4.15Å; F1091-V1143 HydrophobicContact CE1-CG1 3.99Å; F1091-V1143 HydrophobicContact CE2-CG1 4.34Å; F1091-V1143 HydrophobicContact CZ-CG1 3.47Å; F1091-V1143 VanDerWaalsContact CZ-CG1 3.47Å; F1091-V1143 HydrophobicContact CZ-CG2 4.48Å | ||
| 1092 | P | 35.9 | Very low | 46 | Very low | 72.6 Ų | 72.6 | 98.6 Ų | 98.6 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | trans | -66.9 | 113.8 | 166.3 | 11.6 | -3.9 | 0 | 0 | 0 | 107.9 | Y1090 D1094 F1098 | Y1090-P1092 HydrophobicContact CD1-CB 4.47Å; Y1090-P1092 HydrophobicContact CD1-CG 4.1Å; Y1090-P1092 VanDerWaalsContact CE1-CA 3.41Å; Y1090-P1092 HydrophobicContact CE1-CB 3.93Å; Y1090-P1092 HydrophobicContact CE1-CG 4.01Å; Y1090-P1092 WeakPolarHBondContact O-CD 3.33Å; P1092-D1094 PolarHBondContact O-N 3.08Å; P1092-D1094 VanDerWaalsContact O-N 3.17Å; P1092-F1098 HydrophobicContact CB-CD2 3.91Å; P1092-F1098 HydrophobicContact CB-CE2 3.88Å; P1092-F1098 HydrophobicContact CG-CD2 3.64Å; P1092-F1098 HydrophobicContact CG-CE2 3.41Å; P1092-F1098 HydrophobicContact CG-CZ 4.1Å | ||
| 1093 | S | 36.8 | Very low | 43.4 | Very low | 98 Ų | 98 | 102.3 Ų | 102.3 | 69% | 0.685 | 54% | 0.536 | S | S | * | . | trans | -72.9 | 83.1 | 167.5 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | F1091 T1095 | F1091-S1093 VanDerWaalsContact C-N 3.33Å; F1091-S1093 PolarHBondContact O-N 3.11Å; F1091-S1093 VanDerWaalsContact O-N 3.11Å; S1093-T1095 PolarHBondContact O-N 3.08Å; S1093-T1095 PolarHBondContact O-OG1 3.16Å; S1093-T1095 PolarHBondContact OG-OG1 3.1Å | ||
| 1094 | D | 35.2 | Very low | 40.8 | Very low | 137.2 Ų | 137.2 | 107.7 Ų | 107.7 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -36.6 | 76.2 | 173.9 | -63.1 | -22.5 | 0 | 0 | 0 | 113.4 | P1092 E1096 S1097 | P1092-D1094 PolarHBondContact O-N 3.08Å; P1092-D1094 VanDerWaalsContact O-N 3.17Å; D1094-E1096 PolarHBondContact O-N 3.36Å; D1094-E1096 VanDerWaalsContact O-N 3.1Å; D1094-S1097 PolarHBondContact O-N 3.1Å |
| 1095 | T | 35.1 | Very low | 38.5 | Very low | 97.4 Ų | 97.4 | 109.8 Ų | 109.8 | 60% | 0.598 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 55.7 | 170 | -5.4 | 0 | 0 | 0 | 0 | 112.5 | S1093 S1097 F1098 S1099 | S1093-T1095 PolarHBondContact O-N 3.08Å; S1093-T1095 PolarHBondContact O-OG1 3.16Å; S1093-T1095 PolarHBondContact OG-OG1 3.1Å; T1095-S1097 PolarHBondContact O-N 3.45Å; T1095-F1098 HydrophobicContact CG2-CB 4.06Å; T1095-S1099 WeakPolarHBondContact O-CB 3.37Å; T1095-S1099 PolarHBondContact O-N 2.89Å; T1095-S1099 PolarHBondContact O-OG 2.88Å |
| 1096 | E | 33.4 | Very low | 36.3 | Very low | 178.4 Ų | 178.4 | 114.2 Ų | 114.2 | 83% | 0.834 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -13.5 | 171.3 | -63.1 | -155.6 | 155.6 | 0 | 0 | 115.3 | D1094 F1098 S1099 L1100 | D1094-E1096 PolarHBondContact O-N 3.36Å; D1094-E1096 VanDerWaalsContact O-N 3.1Å; E1096-F1098 VanDerWaalsContact C-N 3.28Å; E1096-F1098 PolarHBondContact O-N 3.21Å; E1096-S1099 PolarHBondContact O-N 3.08Å; E1096-L1100 PolarHBondContact O-N 3.19Å |
| 1097 | S | 31.2 | Very low | 34.5 | Very low | 94.2 Ų | 94.2 | 118.2 Ų | 118.2 | 66% | 0.659 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -90.8 | -8.6 | -173.1 | -44.5 | 0 | 0 | 0 | 0 | 115.5 | D1094 T1095 S1099 | D1094-S1097 PolarHBondContact O-N 3.1Å; T1095-S1097 PolarHBondContact O-N 3.45Å; S1097-S1099 PolarHBondContact O-N 3.31Å |
| 1098 | F | 28.9 | Very low | 32.9 | Very low | 155.4 Ų | 155.4 | 121 Ų | 121 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | trans | -112 | 17.4 | 176.5 | -88.8 | -84.1 | 0 | 0 | 0 | 113.8 | P1092 T1095 E1096 L1100 L1101 W1102 | P1092-F1098 HydrophobicContact CB-CD2 3.91Å; P1092-F1098 HydrophobicContact CB-CE2 3.88Å; P1092-F1098 HydrophobicContact CG-CD2 3.64Å; P1092-F1098 HydrophobicContact CG-CE2 3.41Å; P1092-F1098 HydrophobicContact CG-CZ 4.1Å; T1095-F1098 HydrophobicContact CG2-CB 4.06Å; E1096-F1098 VanDerWaalsContact C-N 3.28Å; E1096-F1098 PolarHBondContact O-N 3.21Å; F1098-L1100 VanDerWaalsContact C-N 3.33Å; F1098-L1100 PolarHBondContact O-N 3.22Å; F1098-L1101 PolarHBondContact O-N 3.46Å; F1098-W1102 VanDerWaalsContact O-CD1 3.23Å | ||
| 1099 | S | 29.6 | Very low | 31.7 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | trans | -89.3 | 12.5 | 172.6 | -128.3 | 0 | 0 | 0 | 0 | 112.8 | T1095 E1096 S1097 L1101 W1102 E1103 K1135 | T1095-S1099 WeakPolarHBondContact O-CB 3.37Å; T1095-S1099 PolarHBondContact O-N 2.89Å; T1095-S1099 PolarHBondContact O-OG 2.88Å; E1096-S1099 PolarHBondContact O-N 3.08Å; S1097-S1099 PolarHBondContact O-N 3.31Å; S1099-L1101 PolarHBondContact O-N 3.23Å; S1099-W1102 CarbonylContact O-C 3.58Å; S1099-W1102 PolarHBondContact O-N 3.04Å; S1099-W1102 VanDerWaalsContact O-N 3.14Å; S1099-E1103 PolarHBondContact O-N 2.82Å; S1099-K1135 PolarHBondContact OG-NZ 3.32Å | ||
| 1100 | L | 29 | Very low | 31.1 | Very low | 140.6 Ų | 140.6 | 128.7 Ų | 128.7 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | trans | -84.1 | 68.3 | 174.6 | -70.9 | 175.9 | 0 | 0 | 0 | 111.3 | E1096 F1098 W1102 | E1096-L1100 PolarHBondContact O-N 3.19Å; F1098-L1100 VanDerWaalsContact C-N 3.33Å; F1098-L1100 PolarHBondContact O-N 3.22Å; L1100-W1102 PolarHBondContact O-N 3.09Å | ||
| 1101 | L | 29.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 58% | 0.581 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 20.7 | 8.2 | 158 | -83.3 | 143.5 | 0 | 0 | 0 | 115.9 | V641 R642 K644 F1098 S1099 E1103 | V641-L1101 HydrophobicContact CG1-CD2 4.26Å; R642-L1101 WeakPolarHBondContact CB-O 3.43Å; R642-L1101 WeakPolarHBondContact CD-O 3.47Å; R642-L1101 PolarHBondContact NH1-O 3Å; K644-L1101 HydrophobicContact CB-CD2 3.86Å; K644-L1101 HydrophobicContact CD-CD2 4.45Å; F1098-L1101 PolarHBondContact O-N 3.46Å; S1099-L1101 PolarHBondContact O-N 3.23Å; L1101-E1103 PolarHBondContact O-N 2.86Å |
| 1102 | W | 28.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 62% | 0.621 | 71% | 0.706 | S | S | * | * | trans | -124.8 | 64.5 | 173.9 | -51.9 | 96.4 | 0 | 0 | 0 | 110.9 | R642 F1098 S1099 L1100 D1104 V1130 V1132 K1135 | R642-W1102 VanDerWaalsContact CD-CE3 3.46Å; R642-W1102 HydrophobicContact CG-CE3 4.34Å; R642-W1102 HydrophobicContact CG-CH2 4.48Å; R642-W1102 HydrophobicContact CG-CZ3 4.16Å; R642-W1102 VanDerWaalsContact NE-CZ3 3.26Å; R642-W1102 VanDerWaalsContact NH1-CA 3.33Å; F1098-W1102 VanDerWaalsContact O-CD1 3.23Å; S1099-W1102 CarbonylContact O-C 3.58Å; S1099-W1102 PolarHBondContact O-N 3.04Å; S1099-W1102 VanDerWaalsContact O-N 3.14Å; L1100-W1102 PolarHBondContact O-N 3.09Å; W1102-D1104 PolarHBondContact O-N 2.91Å; W1102-D1104 VanDerWaalsContact O-N 3.14Å; W1102-V1130 HydrophobicContact CH2-CG1 3.97Å; W1102-V1130 HydrophobicContact CZ3-CG1 4.13Å; W1102-V1132 HydrophobicContact CD2-CG1 4.23Å; W1102-V1132 HydrophobicContact CE3-CB 4.41Å; W1102-V1132 HydrophobicContact CE3-CG1 3.27Å; W1102-V1132 HydrophobicContact CE3-CG2 4.11Å; W1102-V1132 HydrophobicContact CH2-CG1 4.03Å; W1102-V1132 HydrophobicContact CZ3-CB 4.08Å; W1102-V1132 HydrophobicContact CZ3-CG1 3.16Å; W1102-V1132 HydrophobicContact CZ3-CG2 3.78Å; W1102-K1135 HydrophobicContact CB-CB 4.49Å; W1102-K1135 HydrophobicContact CB-CD 4.19Å; W1102-K1135 HydrophobicContact CB-CG 4.04Å; W1102-K1135 WeakPolarHBondContact O-CD 3.17Å; W1102-K1135 WeakPolarHBondContact O-CE 3.39Å; W1102-K1135 PolarHBondContact O-NZ 3.44Å | ||
| 1103 | E | 25.6 | Very low | 29.8 | Very low | 145.2 Ų | 145.2 | 129.8 Ų | 129.8 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | trans | -75.9 | 124.5 | 170.2 | -92.1 | 175.4 | 159 | 0 | 0 | 110.2 | R642 K644 S1099 L1101 P1105 | R642-E1103 VanDerWaalsContact CZ-O 3.27Å; R642-E1103 VanDerWaalsContact NH1-N 3.18Å; R642-E1103 PolarHBondContact NH1-O 2.88Å; R642-E1103 PolarHBondContact NH2-O 2.61Å; K644-E1103 PolarHBondContact NZ-O 3.22Å; K644-E1103 IonicContact NZ-OE2 2.7Å; K644-E1103 PolarHBondContact NZ-OE2 3.42Å; S1099-E1103 PolarHBondContact O-N 2.82Å; L1101-E1103 PolarHBondContact O-N 2.86Å; E1103-P1105 VanDerWaalsContact O-CD 3.31Å; E1103-P1105 WeakPolarHBondContact O-CD 3.36Å | ||
| 1104 | D | 29.4 | Very low | 29.5 | Very low | 122.4 Ų | 122.4 | 131.8 Ų | 131.8 | 66% | 0.655 | 72% | 0.721 | S | S | * | * | trans | -73.2 | 127.7 | 165.8 | -85.5 | -43.1 | 0 | 0 | 0 | 109.1 | K644 W1102 S1106 K1135 R1139 | K644-D1104 IonicContact NZ-OD1 2.77Å; K644-D1104 PolarHBondContact NZ-OD1 3.43Å; W1102-D1104 PolarHBondContact O-N 2.91Å; W1102-D1104 VanDerWaalsContact O-N 3.14Å; D1104-S1106 VanDerWaalsContact C-N 3.28Å; D1104-S1106 PolarHBondContact O-N 3.09Å; D1104-K1135 WeakPolarHBondContact OD2-CD 3.28Å; D1104-K1135 IonicContact OD2-NZ 3.77Å; D1104-K1135 PolarHBondContact OD2-NZ 3.1Å; D1104-R1139 IonicContact OD2-NH1 3.73Å | ||
| 1105 | P | 29.6 | Very low | 29.3 | Very low | 109.8 Ų | 109.8 | 134.8 Ų | 134.8 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | -79.9 | 66.9 | 174 | 32.2 | -30.6 | 0 | 0 | 0 | 110.3 | E1103 E1107 | E1103-P1105 VanDerWaalsContact O-CD 3.31Å; E1103-P1105 WeakPolarHBondContact O-CD 3.36Å; P1105-E1107 PolarHBondContact O-N 3.32Å; P1105-E1107 VanDerWaalsContact O-N 3.09Å | ||
| 1106 | S | 28.8 | Very low | 28.9 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -108 | 59.6 | 175.9 | 17.4 | 0 | 0 | 0 | 0 | 113 | D1104 | D1104-S1106 VanDerWaalsContact C-N 3.28Å; D1104-S1106 PolarHBondContact O-N 3.09Å | ||
| 1107 | E | 29.3 | Very low | 28.6 | Very low | 186.4 Ų | 186.4 | 139.2 Ų | 139.2 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | -136.6 | 108.4 | 163.1 | -72.1 | -173.1 | 177.3 | 0 | 0 | 110 | P1105 | P1105-E1107 PolarHBondContact O-N 3.32Å; P1105-E1107 VanDerWaalsContact O-N 3.09Å | ||
| 1108 | V | 27.9 | Very low | 28.5 | Very low | 125.4 Ų | 125.4 | 142 Ų | 142 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | 42 | 105.6 | 150.3 | -174.9 | 0 | 0 | 0 | 0 | 113.4 | P1110 | V1108-P1110 WeakPolarHBondContact O-CD 3.45Š| ||
| 1109 | F | 27.7 | Very low | 28.4 | Very low | 194.6 Ų | 194.6 | 139.6 Ų | 139.6 | 85% | 0.854 | 75% | 0.748 | S | S | * | * | trans | -125.7 | 128 | 143.5 | -84.5 | -74.7 | 0 | 0 | 0 | 110 | P880 | P880-F1109 HydrophobicContact CB-CE2 3.95Å; P880-F1109 HydrophobicContact CB-CZ 3.76Å; P880-F1109 HydrophobicContact CG-CE2 3.48Å; P880-F1109 VanDerWaalsContact CG-CE2 3.48Å; P880-F1109 HydrophobicContact CG-CZ 3.48Å; P880-F1109 VanDerWaalsContact CG-CZ 3.48Å | ||
| 1110 | P | 29.9 | Very low | 28.3 | Very low | 104.2 Ų | 104.2 | 143.4 Ų | 143.4 | 68% | 0.677 | 76% | 0.761 | S | S | * | * | trans | -84.4 | 140.2 | 173.2 | 22.2 | -13.3 | 0 | 0 | 0 | 110.8 | V1108 L1112 | V1108-P1110 WeakPolarHBondContact O-CD 3.45Å; P1110-L1112 PolarHBondContact O-N 3.26Å; P1110-L1112 VanDerWaalsContact O-N 3.09Å | ||
| 1111 | S | 26.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -15.9 | 111.7 | 165.1 | 59.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1112 | L | 28.7 | Very low | 28.2 | Very low | 169.8 Ų | 169.8 | 145.8 Ų | 145.8 | 89% | 0.889 | 77% | 0.774 | S | S | * | * | trans | -130.4 | 76.8 | 153.7 | -124.4 | 124.8 | 0 | 0 | 0 | 108.9 | P1110 D1114 | P1110-L1112 PolarHBondContact O-N 3.26Å; P1110-L1112 VanDerWaalsContact O-N 3.09Å; L1112-D1114 PolarHBondContact O-N 3.08Å | ||
| 1113 | A | 26.2 | Very low | 28 | Very low | 87.4 Ų | 87.4 | 146.6 Ų | 146.6 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -72.8 | 118.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1114 | D | 29.3 | Very low | 28 | Very low | 138.8 Ų | 138.8 | 147.2 Ų | 147.2 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 145.2 | 101.6 | 155.8 | -86.7 | -21.4 | 0 | 0 | 0 | 114 | L1112 | L1112-D1114 PolarHBondContact O-N 3.08Š| ||
| 1115 | K | 31.1 | Very low | 27.9 | Very low | 201.4 Ų | 201.4 | 146 Ų | 146 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 171.8 | 112.8 | 130.5 | -90.7 | 156.4 | -173.6 | 174.8 | 0 | 112.5 | Q1117 | K1115-Q1117 PolarHBondContact O-N 3.08Å; K1115-Q1117 VanDerWaalsContact O-N 3.07Å | ||
| 1116 | K | 27.5 | Very low | 27.8 | Very low | 196.4 Ų | 196.4 | 146.6 Ų | 146.6 | 85% | 0.854 | 79% | 0.793 | S | S | * | * | trans | -58.8 | 138.7 | 148.5 | -69.6 | 173.8 | 174.6 | 175.1 | 0 | 112.9 | ||||
| 1117 | Q | 26.8 | Very low | 27.8 | Very low | 170.8 Ų | 170.8 | 147.7 Ų | 147.7 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | 40.1 | 114.7 | 148.7 | -80 | 172.3 | -20.6 | 0 | 0 | 114.7 | K1115 | K1115-Q1117 PolarHBondContact O-N 3.08Å; K1115-Q1117 VanDerWaalsContact O-N 3.07Å | ||
| 1118 | N | 29.2 | Very low | 27.6 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 170.6 | 136.3 | 117 | -87.2 | -19.3 | 0 | 0 | 0 | 114.3 | |||||
| 1119 | S | 27.9 | Very low | 27.6 | Very low | 104.8 Ų | 104.8 | 143.7 Ų | 143.7 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 5.5 | 118.5 | 163.2 | 59.9 | 0 | 0 | 0 | 0 | 117.5 | S1121 | S1119-S1121 PolarHBondContact O-N 3.31Å; S1119-S1121 VanDerWaalsContact O-N 3.09Å | ||
| 1120 | L | 26.4 | Very low | 27.6 | Very low | 169.8 Ų | 169.8 | 139.1 Ų | 139.1 | 89% | 0.889 | 77% | 0.767 | S | S | * | * | trans | -66.9 | 97.8 | 139.3 | -89 | 129.7 | 0 | 0 | 0 | 115.1 | ||||
| 1121 | S | 27.5 | Very low | 27.5 | Very low | 108.2 Ų | 108.2 | 140.2 Ų | 140.2 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -129.9 | 96.6 | 163.2 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | S1119 H1123 | S1119-S1121 PolarHBondContact O-N 3.31Å; S1119-S1121 VanDerWaalsContact O-N 3.09Å; S1121-H1123 PolarHBondContact O-N 3.05Å | ||
| 1122 | K | 28.2 | Very low | 27.7 | Very low | 195.4 Ų | 195.4 | 139.9 Ų | 139.9 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -102.7 | 110.5 | 165.3 | -81.7 | 177.9 | 178.2 | 178.5 | 0 | 110 | I1124 | K1122-I1124 PolarHBondContact O-N 3.16Š| ||
| 1123 | H | 26 | Very low | 27.7 | Very low | 179.4 Ų | 179.4 | 136.3 Ų | 136.3 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -73.6 | 109.7 | 165.6 | -77.2 | -84.2 | 0 | 0 | 0 | 111.1 | S1121 P1125 | S1121-H1123 PolarHBondContact O-N 3.05Å; H1123-P1125 VanDerWaalsContact O-CD 3.26Å; H1123-P1125 WeakPolarHBondContact O-CD 3.34Å | ||
| 1124 | I | 25.7 | Very low | 28 | Very low | 158.8 Ų | 158.8 | 137 Ų | 137 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | trans | -94.4 | 116.8 | 160.3 | -61.8 | 173.2 | 0 | 0 | 0 | 106.5 | K1122 | K1122-I1124 PolarHBondContact O-N 3.16Š| ||
| 1125 | P | 27.1 | Very low | 28.1 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | trans | -80.4 | 148.7 | -179 | 25.6 | -20.5 | 0 | 0 | 0 | 110.6 | H1123 V1127 | H1123-P1125 VanDerWaalsContact O-CD 3.26Å; H1123-P1125 WeakPolarHBondContact O-CD 3.34Å; P1125-V1127 VanDerWaalsContact C-N 3.27Å; P1125-V1127 HydrophobicContact CG-CG2 4.32Å; P1125-V1127 PolarHBondContact O-N 3.03Å | ||
| 1126 | P | 27 | Very low | 28.2 | Very low | 122.4 Ų | 122.4 | 131.7 Ų | 131.7 | 80% | 0.795 | 73% | 0.725 | S | S | * | * | trans | -71.4 | 114.8 | -179.3 | 29.2 | -32.5 | 0 | 0 | 0 | 110.2 | T1128 | P1126-T1128 PolarHBondContact O-N 2.92Å; P1126-T1128 VanDerWaalsContact O-N 3.09Å | ||
| 1127 | V | 27.7 | Very low | 28.4 | Very low | 125.6 Ų | 125.6 | 124.7 Ų | 124.7 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | trans | -84.7 | 102.8 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | R821 P1125 | R821-V1127 PolarHBondContact NH1-O 2.99Å; P1125-V1127 VanDerWaalsContact C-N 3.27Å; P1125-V1127 HydrophobicContact CG-CG2 4.32Å; P1125-V1127 PolarHBondContact O-N 3.03Å | ||
| 1128 | T | 26.8 | Very low | 28.7 | Very low | 98.2 Ų | 98.2 | 120.4 Ų | 120.4 | 60% | 0.602 | 69% | 0.694 | S | S | * | * | trans | -105 | 127.9 | 165.6 | 45.7 | 0 | 0 | 0 | 0 | 109.9 | P1126 V1130 | P1126-T1128 PolarHBondContact O-N 2.92Å; P1126-T1128 VanDerWaalsContact O-N 3.09Å; T1128-V1130 PolarHBondContact O-N 3.38Å | ||
| 1129 | N | 27 | Very low | 28.8 | Very low | 129.8 Ų | 129.8 | 120.9 Ų | 120.9 | 69% | 0.694 | 68% | 0.684 | S | S | * | * | trans | 35.4 | 81.4 | 161.1 | -70.3 | -18.4 | 0 | 0 | 0 | 113 | R821 N1131 | R821-N1129 VanDerWaalsContact CD-O 3.26Å; R821-N1129 WeakPolarHBondContact CD-O 3.48Å; R821-N1129 PolarHBondContact NE-O 2.69Å; R821-N1129 VanDerWaalsContact NH2-C 3.29Å; N1129-N1131 VanDerWaalsContact C-N 3.25Å; N1129-N1131 PolarHBondContact O-N 3.25Å | ||
| 1130 | V | 28.4 | Very low | 29.2 | Very low | 98.4 Ų | 98.4 | 117.7 Ų | 117.7 | 60% | 0.596 | 66% | 0.662 | S | S | * | * | trans | -89.8 | 114.5 | 153.1 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | R821 W1102 T1128 V1132 | R821-V1130 VanDerWaalsContact CZ-N 3.35Å; R821-V1130 VanDerWaalsContact NE-CA 3.33Å; W1102-V1130 HydrophobicContact CH2-CG1 3.97Å; W1102-V1130 HydrophobicContact CZ3-CG1 4.13Å; T1128-V1130 PolarHBondContact O-N 3.38Å; V1130-V1132 VanDerWaalsContact C-N 3.28Å; V1130-V1132 HydrophobicContact CG1-CG2 4.06Å; V1130-V1132 VanDerWaalsContact O-CG2 3.3Å; V1130-V1132 WeakPolarHBondContact O-CG2 3.25Å; V1130-V1132 PolarHBondContact O-N 3.18Å | ||
| 1131 | N | 26.6 | Very low | 29.5 | Very low | 127.8 Ų | 127.8 | 111.7 Ų | 111.7 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | trans | -64 | 112.1 | 162.3 | -78.6 | -21.1 | 0 | 0 | 0 | 108 | N1129 T1133 R1246 | N1129-N1131 VanDerWaalsContact C-N 3.25Å; N1129-N1131 PolarHBondContact O-N 3.25Å; N1131-T1133 PolarHBondContact O-N 3.12Å; N1131-R1246 PolarHBondContact ND2-NH2 3.17Å; N1131-R1246 PolarHBondContact O-NH2 3.34Å | ||
| 1132 | V | 29.8 | Very low | 29.9 | Very low | 103.8 Ų | 103.8 | 109.1 Ų | 109.1 | 63% | 0.629 | 61% | 0.608 | S | S | * | * | trans | -78.4 | 108.6 | 154 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | W1102 V1130 T1134 | W1102-V1132 HydrophobicContact CD2-CG1 4.23Å; W1102-V1132 HydrophobicContact CE3-CB 4.41Å; W1102-V1132 HydrophobicContact CE3-CG1 3.27Å; W1102-V1132 HydrophobicContact CE3-CG2 4.11Å; W1102-V1132 HydrophobicContact CH2-CG1 4.03Å; W1102-V1132 HydrophobicContact CZ3-CB 4.08Å; W1102-V1132 HydrophobicContact CZ3-CG1 3.16Å; W1102-V1132 HydrophobicContact CZ3-CG2 3.78Å; V1130-V1132 VanDerWaalsContact C-N 3.28Å; V1130-V1132 HydrophobicContact CG1-CG2 4.06Å; V1130-V1132 VanDerWaalsContact O-CG2 3.3Å; V1130-V1132 WeakPolarHBondContact O-CG2 3.25Å; V1130-V1132 PolarHBondContact O-N 3.18Å; V1132-T1134 WeakPolarHBondContact O-CA 3.32Å; V1132-T1134 PolarHBondContact O-N 3.06Å | ||
| 1133 | T | 29 | Very low | 30.2 | Very low | 95 Ų | 95 | 103.6 Ų | 103.6 | 58% | 0.583 | 59% | 0.591 | S | S | * | * | trans | -33.3 | 107.4 | 157 | 44.7 | 0 | 0 | 0 | 0 | 110.7 | N1131 K1135 V1138 | N1131-T1133 PolarHBondContact O-N 3.12Å; T1133-K1135 PolarHBondContact O-N 3.27Å; T1133-V1138 HydrophobicContact CG2-CG2 3.51Å | ||
| 1134 | T | 33.1 | Very low | 30.5 | Very low | 102.2 Ų | 102.2 | 99.5 Ų | 99.5 | 63% | 0.627 | 58% | 0.58 | S | S | * | * | trans | -92.1 | 117.1 | 164.6 | 40.8 | 0 | 0 | 0 | 0 | 110.1 | V1132 A1136 G1137 V1138 | V1132-T1134 WeakPolarHBondContact O-CA 3.32Å; V1132-T1134 PolarHBondContact O-N 3.06Å; T1134-A1136 VanDerWaalsContact C-N 3.34Å; T1134-A1136 CarbonylContact O-C 3.48Å; T1134-A1136 WeakPolarHBondContact O-CA 3.05Å; T1134-A1136 PolarHBondContact O-N 3.1Å; T1134-A1136 WeakPolarHBondContact OG1-CB 3.38Å; T1134-G1137 WeakPolarHBondContact O-CA 3.41Å; T1134-G1137 PolarHBondContact O-N 2.89Å; T1134-G1137 PolarHBondContact OG1-N 3.15Å; T1134-G1137 VanDerWaalsContact OG1-N 3.09Å; T1134-V1138 PolarHBondContact O-N 2.83Å | ||
| 1135 | K | 31.8 | Very low | 31 | Very low | 154.2 Ų | 154.2 | 95.1 Ų | 95.1 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.8 | 4.5 | 167.9 | -91.1 | -177.6 | 176.7 | 178.7 | 0 | 111.7 | S1099 W1102 D1104 T1133 R1139 | S1099-K1135 PolarHBondContact OG-NZ 3.32Å; W1102-K1135 HydrophobicContact CB-CB 4.49Å; W1102-K1135 HydrophobicContact CB-CD 4.19Å; W1102-K1135 HydrophobicContact CB-CG 4.04Å; W1102-K1135 WeakPolarHBondContact O-CD 3.17Å; W1102-K1135 WeakPolarHBondContact O-CE 3.39Å; W1102-K1135 PolarHBondContact O-NZ 3.44Å; D1104-K1135 WeakPolarHBondContact OD2-CD 3.28Å; D1104-K1135 IonicContact OD2-NZ 3.77Å; D1104-K1135 PolarHBondContact OD2-NZ 3.1Å; T1133-K1135 PolarHBondContact O-N 3.27Å; K1135-R1139 VanDerWaalsContact O-CA 3.28Å; K1135-R1139 WeakPolarHBondContact O-CA 3.5Å; K1135-R1139 WeakPolarHBondContact O-CB 3.44Å; K1135-R1139 WeakPolarHBondContact O-CD 3.35Å; K1135-R1139 WeakPolarHBondContact O-CG 3.31Å; K1135-R1139 PolarHBondContact O-N 3.02Å; K1135-R1139 VanDerWaalsContact O-N 3.09Å |
| 1136 | A | 31.7 | Very low | 31.2 | Very low | 74.8 Ų | 74.8 | 100.6 Ų | 100.6 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -87.8 | -8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1134 V1138 R1139 S1140 T1149 | T1134-A1136 VanDerWaalsContact C-N 3.34Å; T1134-A1136 CarbonylContact O-C 3.48Å; T1134-A1136 WeakPolarHBondContact O-CA 3.05Å; T1134-A1136 PolarHBondContact O-N 3.1Å; T1134-A1136 WeakPolarHBondContact OG1-CB 3.38Å; A1136-V1138 PolarHBondContact O-N 2.59Å; A1136-R1139 CarbonylContact O-C 3.52Å; A1136-R1139 PolarHBondContact O-N 3.15Å; A1136-S1140 WeakPolarHBondContact O-CA 3.39Å; A1136-S1140 WeakPolarHBondContact O-CB 3.2Å; A1136-S1140 PolarHBondContact O-N 3.15Å; A1136-T1149 HydrophobicContact CB-CG2 3.39Å |
| 1137 | G | 32.1 | Very low | 31.4 | Very low | 48.8 Ų | 48.8 | 97.6 Ų | 97.6 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -84.6 | -16.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1134 R1139 S1140 C1141 | T1134-G1137 WeakPolarHBondContact O-CA 3.41Å; T1134-G1137 PolarHBondContact O-N 2.89Å; T1134-G1137 PolarHBondContact OG1-N 3.15Å; T1134-G1137 VanDerWaalsContact OG1-N 3.09Å; G1137-R1139 PolarHBondContact O-N 3.4Å; G1137-S1140 PolarHBondContact O-N 3.47Å; G1137-C1141 PolarHBondContact O-N 3.23Å; G1137-C1141 VanDerWaalsContact O-N 3.1Å; G1137-C1141 PolarHBondContact O-SG 3.4Å |
| 1138 | V | 34.4 | Very low | 31.7 | Very low | 81.2 Ų | 81.2 | 98.5 Ų | 98.5 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.2 | 4.9 | 169.9 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | Y1090 T1133 T1134 A1136 S1140 C1141 Y1142 L1241 | Y1090-V1138 HydrophobicContact CD2-CG1 3.74Å; Y1090-V1138 WeakPolarHBondContact CD2-O 3.47Å; Y1090-V1138 HydrophobicContact CE2-CG1 3.38Å; T1133-V1138 HydrophobicContact CG2-CG2 3.51Å; T1134-V1138 PolarHBondContact O-N 2.83Å; A1136-V1138 PolarHBondContact O-N 2.59Å; V1138-S1140 VanDerWaalsContact C-N 3.34Å; V1138-S1140 PolarHBondContact O-N 3.26Å; V1138-S1140 VanDerWaalsContact O-N 3.12Å; V1138-C1141 WeakPolarHBondContact O-CA 3.44Å; V1138-C1141 VanDerWaalsContact O-CB 3.27Å; V1138-C1141 WeakPolarHBondContact O-CB 3.4Å; V1138-C1141 PolarHBondContact O-N 3.09Å; V1138-Y1142 VanDerWaalsContact C-CE2 3.44Å; V1138-Y1142 HydrophobicContact CB-CE2 4.36Å; V1138-Y1142 HydrophobicContact CG1-CD2 3.94Å; V1138-Y1142 HydrophobicContact CG1-CE2 4.03Å; V1138-Y1142 WeakPolarHBondContact O-CD2 3.46Å; V1138-Y1142 WeakPolarHBondContact O-CE2 3.47Å; V1138-Y1142 PolarHBondContact O-N 3.13Å; V1138-L1241 HydrophobicContact CG1-CD1 4.43Å |
| 1139 | R | 31.5 | Very low | 32.1 | Very low | 162.6 Ų | 162.6 | 97.7 Ų | 97.7 | 61% | 0.614 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.1 | 4.1 | 176.4 | -83 | 179.6 | 168.4 | 171.3 | -1.5 | 112.6 | Y1090 F1091 D1104 K1135 A1136 G1137 C1141 Y1142 V1143 | Y1090-R1139 VanDerWaalsContact CB-CA 3.49Å; F1091-R1139 HydrophobicContact CB-CB 4.09Å; F1091-R1139 HydrophobicContact CB-CG 4.4Å; F1091-R1139 HydrophobicContact CD2-CG 4.22Å; F1091-R1139 HydrophobicContact CZ-CG 4.33Å; F1091-R1139 VanDerWaalsContact N-CB 3.35Å; F1091-R1139 CarbonylContact O-C 3.56Å; F1091-R1139 WeakPolarHBondContact O-CB 3.04Å; F1091-R1139 VanDerWaalsContact O-O 3.05Å; D1104-R1139 IonicContact OD2-NH1 3.73Å; K1135-R1139 VanDerWaalsContact O-CA 3.28Å; K1135-R1139 WeakPolarHBondContact O-CA 3.5Å; K1135-R1139 WeakPolarHBondContact O-CB 3.44Å; K1135-R1139 WeakPolarHBondContact O-CD 3.35Å; K1135-R1139 WeakPolarHBondContact O-CG 3.31Å; K1135-R1139 PolarHBondContact O-N 3.02Å; K1135-R1139 VanDerWaalsContact O-N 3.09Å; A1136-R1139 CarbonylContact O-C 3.52Å; A1136-R1139 PolarHBondContact O-N 3.15Å; G1137-R1139 PolarHBondContact O-N 3.4Å; R1139-C1141 PolarHBondContact O-N 2.87Å; R1139-Y1142 HydrophobicContact CB-CD2 4.45Å; R1139-Y1142 WeakPolarHBondContact O-CB 3.44Å; R1139-Y1142 WeakPolarHBondContact O-CD2 3.47Å; R1139-Y1142 PolarHBondContact O-N 2.91Å; R1139-V1143 HydrophobicContact CB-CG2 4.19Å; R1139-V1143 HydrophobicContact CG-CG2 4.4Å; R1139-V1143 WeakPolarHBondContact O-CB 3.29Å; R1139-V1143 WeakPolarHBondContact O-CG2 3.44Å; R1139-V1143 PolarHBondContact O-N 3.09Å |
| 1140 | S | 34.5 | Very low | 32.8 | Very low | 39 Ų | 39 | 96.5 Ų | 96.5 | 27% | 0.273 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.7 | 13.7 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 114.4 | V1052 R1087 Y1090 A1136 G1137 V1138 Y1142 T1149 D1150 I1151 | V1052-S1140 WeakPolarHBondContact CG1-OG 3.42Å; R1087-S1140 PolarHBondContact NH1-O 2.93Å; R1087-S1140 VanDerWaalsContact NH1-O 3.14Å; R1087-S1140 PolarHBondContact NH1-OG 3.04Å; R1087-S1140 PolarHBondContact NH2-OG 2.7Å; Y1090-S1140 VanDerWaalsContact CA-CB 3.49Å; Y1090-S1140 VanDerWaalsContact CB-N 3.29Å; Y1090-S1140 VanDerWaalsContact CD1-CA 3.48Å; Y1090-S1140 WeakPolarHBondContact O-CB 3.3Å; A1136-S1140 WeakPolarHBondContact O-CA 3.39Å; A1136-S1140 WeakPolarHBondContact O-CB 3.2Å; A1136-S1140 PolarHBondContact O-N 3.15Å; G1137-S1140 PolarHBondContact O-N 3.47Å; V1138-S1140 VanDerWaalsContact C-N 3.34Å; V1138-S1140 PolarHBondContact O-N 3.26Å; V1138-S1140 VanDerWaalsContact O-N 3.12Å; S1140-Y1142 VanDerWaalsContact C-N 3.27Å; S1140-Y1142 PolarHBondContact O-N 3.22Å; S1140-Y1142 VanDerWaalsContact O-O 3.08Å; S1140-Y1142 PolarHBondContact OG-N 3.05Å; S1140-Y1142 VanDerWaalsContact OG-N 3.07Å; S1140-Y1142 PolarHBondContact OG-O 3.33Å; S1140-T1149 WeakPolarHBondContact CB-O 3.13Å; S1140-T1149 WeakPolarHBondContact OG-CB 3.16Å; S1140-T1149 PolarHBondContact OG-O 3.21Å; S1140-D1150 VanDerWaalsContact OG-C 3.22Å; S1140-I1151 VanDerWaalsContact O-CD1 3.26Å; S1140-I1151 WeakPolarHBondContact O-CD1 3.42Å; S1140-I1151 WeakPolarHBondContact OG-CA 3.34Å; S1140-I1151 WeakPolarHBondContact OG-CB 3.05Å; S1140-I1151 WeakPolarHBondContact OG-CG1 3.36Å; S1140-I1151 PolarHBondContact OG-N 3.33Å |
| 1141 | C | 33.9 | Very low | 33.9 | Very low | 42.4 Ų | 42.4 | 94.4 Ų | 94.4 | 29% | 0.286 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -92.5 | 14.7 | 169.2 | -45.9 | 0 | 0 | 0 | 0 | 114 | C53 R1087 I1088 Y1090 G1137 V1138 R1139 D1150 I1151 P1242 | C53-C1141 WeakPolarHBondContact O-CB 3.35Å; C53-C1141 PolarHBondContact O-SG 2.9Å; R1087-C1141 CarbonylContact C-O 3.57Å; R1087-C1141 VanDerWaalsContact CA-O 3.22Å; R1087-C1141 WeakPolarHBondContact CA-O 3.26Å; R1087-C1141 WeakPolarHBondContact CB-O 3.35Å; I1088-C1141 PolarHBondContact N-O 3.14Å; Y1090-C1141 HydrophobicContact CE1-CB 4.36Å; Y1090-C1141 VanDerWaalsContact CE1-SG 3.53Å; G1137-C1141 PolarHBondContact O-N 3.23Å; G1137-C1141 VanDerWaalsContact O-N 3.1Å; G1137-C1141 PolarHBondContact O-SG 3.4Å; V1138-C1141 WeakPolarHBondContact O-CA 3.44Å; V1138-C1141 VanDerWaalsContact O-CB 3.27Å; V1138-C1141 WeakPolarHBondContact O-CB 3.4Å; V1138-C1141 PolarHBondContact O-N 3.09Å; R1139-C1141 PolarHBondContact O-N 2.87Å; C1141-D1150 VanDerWaalsContact CA-OD1 3.23Å; C1141-D1150 WeakPolarHBondContact CA-OD1 3.42Å; C1141-D1150 WeakPolarHBondContact CB-OD1 3.35Å; C1141-D1150 VanDerWaalsContact O-CG 3.26Å; C1141-I1151 WeakPolarHBondContact O-CD1 3.47Å; C1141-I1151 WeakPolarHBondContact O-CG1 3.34Å; C1141-P1242 HydrophobicContact CB-CG 4.37Å |
| 1142 | Y | 35.2 | Very low | 35.8 | Very low | 54.4 Ų | 54.4 | 93.9 Ų | 93.9 | 21% | 0.213 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -130.2 | 78.7 | 173.4 | -66.3 | -83.7 | 0 | 0 | 0 | 111.2 | I1088 Y1090 F1091 V1138 R1139 S1140 D1150 I1151 P1242 D1261 | I1088-Y1142 HydrophobicContact CB-CD1 4.45Å; I1088-Y1142 HydrophobicContact CB-CG 4.33Å; I1088-Y1142 HydrophobicContact CD1-CD1 4.15Å; I1088-Y1142 HydrophobicContact CD1-CD2 3.68Å; I1088-Y1142 HydrophobicContact CD1-CE1 4.48Å; I1088-Y1142 HydrophobicContact CD1-CE2 4.2Å; I1088-Y1142 HydrophobicContact CD1-CG 3.68Å; I1088-Y1142 VanDerWaalsContact CD1-CG 3.45Å; I1088-Y1142 HydrophobicContact CG1-CD1 3.99Å; I1088-Y1142 HydrophobicContact CG1-CD2 4.11Å; I1088-Y1142 HydrophobicContact CG1-CG 3.9Å; I1088-Y1142 HydrophobicContact CG2-CD1 4.41Å; I1088-Y1142 HydrophobicContact CG2-CE1 4.28Å; Y1090-Y1142 WeakPolarHBondContact O-CD1 2.86Å; Y1090-Y1142 VanDerWaalsContact O-CE1 3.26Å; Y1090-Y1142 WeakPolarHBondContact O-CE1 3.46Å; F1091-Y1142 HydrophobicContact CB-CD1 4.34Å; F1091-Y1142 VanDerWaalsContact CD2-CB 3.49Å; F1091-Y1142 AromaticContact CD2-CD1 3.38Å; F1091-Y1142 HydrophobicContact CD2-CD1 3.38Å; F1091-Y1142 HydrophobicContact CD2-CD2 4.45Å; F1091-Y1142 HydrophobicContact CD2-CE1 4.23Å; F1091-Y1142 AromaticContact CD2-CG 3.53Å; F1091-Y1142 HydrophobicContact CD2-CG 3.53Å; F1091-Y1142 AromaticContact CE2-CD1 3.75Å; F1091-Y1142 HydrophobicContact CE2-CD1 3.75Å; F1091-Y1142 AromaticContact CE2-CD2 3.99Å; F1091-Y1142 HydrophobicContact CE2-CD2 3.99Å; F1091-Y1142 AromaticContact CE2-CG 3.41Å; F1091-Y1142 HydrophobicContact CE2-CG 3.41Å; F1091-Y1142 VanDerWaalsContact CE2-CG 3.41Å; F1091-Y1142 AromaticContact CG-CD1 3.83Å; F1091-Y1142 HydrophobicContact CG-CD1 3.83Å; F1091-Y1142 HydrophobicContact CG-CE1 4.29Å; F1091-Y1142 HydrophobicContact CG-CG 4.36Å; F1091-Y1142 HydrophobicContact CZ-CD1 4.46Å; F1091-Y1142 HydrophobicContact CZ-CD2 4.34Å; F1091-Y1142 HydrophobicContact CZ-CG 4.15Å; V1138-Y1142 VanDerWaalsContact C-CE2 3.44Å; V1138-Y1142 HydrophobicContact CB-CE2 4.36Å; V1138-Y1142 HydrophobicContact CG1-CD2 3.94Å; V1138-Y1142 HydrophobicContact CG1-CE2 4.03Å; V1138-Y1142 WeakPolarHBondContact O-CD2 3.46Å; V1138-Y1142 WeakPolarHBondContact O-CE2 3.47Å; V1138-Y1142 PolarHBondContact O-N 3.13Å; R1139-Y1142 HydrophobicContact CB-CD2 4.45Å; R1139-Y1142 WeakPolarHBondContact O-CB 3.44Å; R1139-Y1142 WeakPolarHBondContact O-CD2 3.47Å; R1139-Y1142 PolarHBondContact O-N 2.91Å; S1140-Y1142 VanDerWaalsContact C-N 3.27Å; S1140-Y1142 PolarHBondContact O-N 3.22Å; S1140-Y1142 VanDerWaalsContact O-O 3.08Å; S1140-Y1142 PolarHBondContact OG-N 3.05Å; S1140-Y1142 VanDerWaalsContact OG-N 3.07Å; S1140-Y1142 PolarHBondContact OG-O 3.33Å; Y1142-D1150 WeakPolarHBondContact CA-OD2 3.44Å; Y1142-I1151 HydrophobicContact CE1-CD1 4.31Å; Y1142-I1151 PolarHBondContact OH-O 2.62Å; Y1142-P1242 HydrophobicContact CD1-CB 4.42Å; Y1142-P1242 HydrophobicContact CD1-CG 4.13Å; Y1142-P1242 HydrophobicContact CE1-CB 4.15Å; Y1142-P1242 HydrophobicContact CE1-CG 3.79Å; Y1142-D1261 PolarHBondContact OH-OD2 3.02Å |
| 1143 | V | 33.9 | Very low | 38 | Very low | 80.8 Ų | 80.8 | 90.3 Ų | 90.3 | 49% | 0.49 | 52% | 0.518 | S | S | . | . | trans | -88.9 | 121.7 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | F1091 R1139 G1145 T1149 D1150 | F1091-V1143 HydrophobicContact CE1-CG1 3.99Å; F1091-V1143 HydrophobicContact CE2-CG1 4.34Å; F1091-V1143 HydrophobicContact CZ-CG1 3.47Å; F1091-V1143 VanDerWaalsContact CZ-CG1 3.47Å; F1091-V1143 HydrophobicContact CZ-CG2 4.48Å; R1139-V1143 HydrophobicContact CB-CG2 4.19Å; R1139-V1143 HydrophobicContact CG-CG2 4.4Å; R1139-V1143 WeakPolarHBondContact O-CB 3.29Å; R1139-V1143 WeakPolarHBondContact O-CG2 3.44Å; R1139-V1143 PolarHBondContact O-N 3.09Å; V1143-G1145 PolarHBondContact O-N 3.23Å; V1143-T1149 PolarHBondContact O-OG1 3Å; V1143-D1150 PolarHBondContact N-OD2 3.49Å | ||
| 1144 | P | 33.2 | Very low | 40.3 | Very low | 92 Ų | 92 | 89.6 Ų | 89.6 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -70 | 118.4 | 173.5 | 20.3 | -20.4 | 0 | 0 | 0 | 110.6 | V1052 | V1052-P1144 HydrophobicContact CB-CB 4.34Å; V1052-P1144 HydrophobicContact CB-CG 3.58Å; V1052-P1144 HydrophobicContact CG1-CB 3.91Å; V1052-P1144 VanDerWaalsContact CG1-CB 3.44Å; V1052-P1144 HydrophobicContact CG1-CG 3.23Å; V1052-P1144 HydrophobicContact CG2-CG 4.42Å |
| 1145 | G | 35.3 | Very low | 42.5 | Very low | 66 Ų | 66 | 87.2 Ų | 87.2 | 68% | 0.68 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 115.3 | 46.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | V1143 G1147 | V1143-G1145 PolarHBondContact O-N 3.23Å; G1145-G1147 PolarHBondContact O-N 2.98Å |
| 1146 | K | 31.8 | Very low | 45 | Very low | 212.6 Ų | 212.6 | 80 Ų | 80 | 92% | 0.924 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -132.5 | 41.8 | 173.5 | -76.6 | -171.5 | 176.2 | -179.9 | 0 | 116.5 | D1148 | K1146-D1148 VanDerWaalsContact C-N 3.33Å; K1146-D1148 PolarHBondContact O-N 3.1Å |
| 1147 | G | 32.2 | Very low | 47.8 | Very low | 59.8 Ų | 59.8 | 76.4 Ų | 76.4 | 62% | 0.616 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 173.4 | 130.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1145 T1149 | G1145-G1147 PolarHBondContact O-N 2.98Å; G1147-T1149 PolarHBondContact O-N 2.99Å |
| 1148 | D | 32.5 | Very low | 50.7 | Low | 145.4 Ų | 145.4 | 75.9 Ų | 75.9 | 78% | 0.778 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -76.9 | 23.7 | 175 | -156.3 | 26 | 0 | 0 | 0 | 114.4 | K1146 D1150 R1152 | K1146-D1148 VanDerWaalsContact C-N 3.33Å; K1146-D1148 PolarHBondContact O-N 3.1Å; D1148-D1150 VanDerWaalsContact C-N 3.29Å; D1148-D1150 PolarHBondContact O-N 2.89Å; D1148-R1152 PolarHBondContact O-NH2 3.31Å; D1148-R1152 IonicContact OD1-CZ 3.86Å; D1148-R1152 IonicContact OD1-NE 3.26Å; D1148-R1152 IonicContact OD1-NH1 3.04Å; D1148-R1152 PolarHBondContact OD1-NH1 3.34Å; D1148-R1152 IonicContact OD1-NH2 3.86Å; D1148-R1152 PolarHBondContact OD1-NH2 2.99Å; D1148-R1152 IonicContact OD2-CZ 2.74Å; D1148-R1152 IonicContact OD2-NH1 2.65Å; D1148-R1152 PolarHBondContact OD2-NH1 3.31Å; D1148-R1152 IonicContact OD2-NH2 2.84Å; D1148-R1152 PolarHBondContact OD2-NH2 2.74Å |
| 1149 | T | 35.5 | Very low | 53.5 | Low | 81.6 Ų | 81.6 | 73.1 Ų | 73.1 | 50% | 0.501 | 39% | 0.393 | S | S | . | . | trans | -108.9 | 38.1 | 179.5 | 61 | 0 | 0 | 0 | 0 | 111.7 | A1136 S1140 V1143 G1147 I1151 | A1136-T1149 HydrophobicContact CB-CG2 3.39Å; S1140-T1149 WeakPolarHBondContact CB-O 3.13Å; S1140-T1149 WeakPolarHBondContact OG-CB 3.16Å; S1140-T1149 PolarHBondContact OG-O 3.21Å; V1143-T1149 PolarHBondContact O-OG1 3Å; G1147-T1149 PolarHBondContact O-N 2.99Å; T1149-I1151 PolarHBondContact O-N 3.23Å; T1149-I1151 VanDerWaalsContact O-N 3.1Å | ||
| 1150 | D | 41.5 | Very low | 56.5 | Low | 104.6 Ų | 104.6 | 65.8 Ų | 65.8 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | trans | -69.9 | 133.7 | 168.6 | -131.5 | -5.3 | 0 | 0 | 0 | 109.1 | R1087 S1140 C1141 Y1142 V1143 D1148 R1152 | R1087-D1150 IonicContact NH1-OD1 3.18Å; R1087-D1150 IonicContact NH2-OD1 3.97Å; S1140-D1150 VanDerWaalsContact OG-C 3.22Å; C1141-D1150 VanDerWaalsContact CA-OD1 3.23Å; C1141-D1150 WeakPolarHBondContact CA-OD1 3.42Å; C1141-D1150 WeakPolarHBondContact CB-OD1 3.35Å; C1141-D1150 VanDerWaalsContact O-CG 3.26Å; Y1142-D1150 WeakPolarHBondContact CA-OD2 3.44Å; V1143-D1150 PolarHBondContact N-OD2 3.49Å; D1148-D1150 VanDerWaalsContact C-N 3.29Å; D1148-D1150 PolarHBondContact O-N 2.89Å; D1150-R1152 VanDerWaalsContact C-N 3.33Å; D1150-R1152 PolarHBondContact O-N 3.24Å | ||
| 1151 | I | 51.8 | Low | 59.2 | Low | 52.8 Ų | 52.8 | 64.6 Ų | 64.6 | 27% | 0.271 | 36% | 0.357 | S | S | . | . | trans | -61.3 | 106 | 170.9 | -68.4 | 166.8 | 0 | 0 | 0 | 105.1 | I1085 R1087 S1140 C1141 Y1142 T1149 L1153 V1156 | I1085-I1151 HydrophobicContact CG2-CD1 4.48Å; R1087-I1151 HydrophobicContact CG-CD1 3.81Å; R1087-I1151 VanDerWaalsContact NE-CD1 3.29Å; S1140-I1151 VanDerWaalsContact O-CD1 3.26Å; S1140-I1151 WeakPolarHBondContact O-CD1 3.42Å; S1140-I1151 WeakPolarHBondContact OG-CA 3.34Å; S1140-I1151 WeakPolarHBondContact OG-CB 3.05Å; S1140-I1151 WeakPolarHBondContact OG-CG1 3.36Å; S1140-I1151 PolarHBondContact OG-N 3.33Å; C1141-I1151 WeakPolarHBondContact O-CD1 3.47Å; C1141-I1151 WeakPolarHBondContact O-CG1 3.34Å; Y1142-I1151 HydrophobicContact CE1-CD1 4.31Å; Y1142-I1151 PolarHBondContact OH-O 2.62Å; T1149-I1151 PolarHBondContact O-N 3.23Å; T1149-I1151 VanDerWaalsContact O-N 3.1Å; I1151-L1153 PolarHBondContact O-N 3.27Å; I1151-V1156 HydrophobicContact CG2-CG1 3.62Å; I1151-V1156 HydrophobicContact CG2-CG2 3.89Å; I1151-V1156 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 1152 | R | 66.9 | Low | 61.8 | Low | 118.8 Ų | 118.8 | 63.2 Ų | 63.2 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | trans | -63.9 | 127.7 | -179.1 | -60.1 | -179.1 | -98.8 | -160.5 | 0.7 | 107.2 | D1148 D1150 R1154 D1155 | D1148-R1152 PolarHBondContact O-NH2 3.31Å; D1148-R1152 IonicContact OD1-CZ 3.86Å; D1148-R1152 IonicContact OD1-NE 3.26Å; D1148-R1152 IonicContact OD1-NH1 3.04Å; D1148-R1152 PolarHBondContact OD1-NH1 3.34Å; D1148-R1152 IonicContact OD1-NH2 3.86Å; D1148-R1152 PolarHBondContact OD1-NH2 2.99Å; D1148-R1152 IonicContact OD2-CZ 2.74Å; D1148-R1152 IonicContact OD2-NH1 2.65Å; D1148-R1152 PolarHBondContact OD2-NH1 3.31Å; D1148-R1152 IonicContact OD2-NH2 2.84Å; D1148-R1152 PolarHBondContact OD2-NH2 2.74Å; D1150-R1152 VanDerWaalsContact C-N 3.33Å; D1150-R1152 PolarHBondContact O-N 3.24Å; R1152-R1154 HydrophobicContact CB-CG 3.91Å; R1152-R1154 VanDerWaalsContact CZ-CZ 3.49Å; R1152-R1154 VanDerWaalsContact NE-NE 3.17Å; R1152-R1154 PolarHBondContact O-N 3.08Å; R1152-R1154 VanDerWaalsContact O-N 3.1Å; R1152-D1155 IonicContact CZ-OD2 3.62Å; R1152-D1155 VanDerWaalsContact CZ-OD2 3.24Å; R1152-D1155 IonicContact NE-OD2 3.39Å; R1152-D1155 PolarHBondContact NE-OD2 3.29Å; R1152-D1155 VanDerWaalsContact NE-OD2 3.09Å; R1152-D1155 IonicContact NH2-OD1 3.48Å; R1152-D1155 PolarHBondContact NH2-OD1 2.88Å; R1152-D1155 IonicContact NH2-OD2 3.16Å; R1152-D1155 PolarHBondContact NH2-OD2 3.19Å; R1152-D1155 WeakPolarHBondContact O-CA 3.48Å; R1152-D1155 WeakPolarHBondContact O-CB 3.37Å; R1152-D1155 PolarHBondContact O-N 3.05Å | ||
| 1153 | L | 75.5 | Confident | 64.2 | Low | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -50.5 | -35.5 | -177.6 | -178.1 | 56.8 | 0 | 0 | 0 | 112.6 | L1026 D1041 V1055 V1057 I1151 D1155 V1156 V1157 | L1026-L1153 HydrophobicContact CD1-CD2 3.86Å; L1026-L1153 HydrophobicContact CD1-CG 3.82Å; L1026-L1153 HydrophobicContact CD2-CB 4.26Å; L1026-L1153 HydrophobicContact CD2-CD2 4.3Å; L1026-L1153 HydrophobicContact CD2-CG 4.21Å; L1026-L1153 HydrophobicContact CG-CG 4.47Å; D1041-L1153 HydrophobicContact CB-CD2 3.78Å; D1041-L1153 WeakPolarHBondContact OD2-CD2 3.19Å; V1055-L1153 HydrophobicContact CB-CD1 3.91Å; V1055-L1153 HydrophobicContact CG1-CD1 3.41Å; V1055-L1153 VanDerWaalsContact CG1-CD1 3.41Å; V1055-L1153 HydrophobicContact CG1-CD2 4.19Å; V1055-L1153 HydrophobicContact CG1-CG 4.32Å; V1055-L1153 HydrophobicContact CG2-CD1 4.02Å; V1057-L1153 HydrophobicContact CG2-CD1 4.09Å; V1057-L1153 HydrophobicContact CG2-CD2 4.33Å; V1057-L1153 HydrophobicContact CG2-CG 4.34Å; I1151-L1153 PolarHBondContact O-N 3.27Å; L1153-D1155 VanDerWaalsContact C-N 3.25Å; L1153-D1155 PolarHBondContact O-N 2.91Å; L1153-D1155 VanDerWaalsContact O-N 3.16Å; L1153-V1156 HydrophobicContact CD1-CG2 3.88Å; L1153-V1156 WeakPolarHBondContact O-CG2 3.35Å; L1153-V1156 PolarHBondContact O-N 3.01Å; L1153-V1156 VanDerWaalsContact O-N 3.15Å; L1153-V1157 HydrophobicContact CD1-CG2 4.34Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.34Å; L1153-V1157 PolarHBondContact O-N 3.08Å |
| 1154 | R | 77.3 | Confident | 66.5 | Low | 79.6 Ų | 79.6 | 58.6 Ų | 58.6 | 30% | 0.3 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57 | -28.4 | 173.4 | 90.7 | -172.8 | 175 | -178.4 | -0.6 | 115.3 | L1026 R1027 R1152 V1156 V1157 R1158 | L1026-R1154 HydrophobicContact CD2-CB 4.29Å; L1026-R1154 WeakPolarHBondContact O-CG 3.41Å; R1027-R1154 PolarHBondContact NE-O 2.95Å; R1027-R1154 VanDerWaalsContact NE-O 3.08Å; R1027-R1154 PolarHBondContact NH2-O 3.01Å; R1152-R1154 HydrophobicContact CB-CG 3.91Å; R1152-R1154 VanDerWaalsContact CZ-CZ 3.49Å; R1152-R1154 VanDerWaalsContact NE-NE 3.17Å; R1152-R1154 PolarHBondContact O-N 3.08Å; R1152-R1154 VanDerWaalsContact O-N 3.1Å; R1154-V1156 VanDerWaalsContact C-N 3.29Å; R1154-V1156 PolarHBondContact O-N 3.47Å; R1154-V1157 PolarHBondContact O-N 3.01Å; R1154-R1158 PolarHBondContact O-NH1 2.98Å; R1154-R1158 VanDerWaalsContact O-NH1 3.14Å |
| 1155 | D | 79.9 | Confident | 68.6 | Low | 52.2 Ų | 52.2 | 61.5 Ų | 61.5 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -80.9 | -21 | -175.3 | -65.3 | -23.4 | 0 | 0 | 0 | 110.6 | R1152 L1153 R1158 | R1152-D1155 IonicContact CZ-OD2 3.62Å; R1152-D1155 VanDerWaalsContact CZ-OD2 3.24Å; R1152-D1155 IonicContact NE-OD2 3.39Å; R1152-D1155 PolarHBondContact NE-OD2 3.29Å; R1152-D1155 VanDerWaalsContact NE-OD2 3.09Å; R1152-D1155 IonicContact NH2-OD1 3.48Å; R1152-D1155 PolarHBondContact NH2-OD1 2.88Å; R1152-D1155 IonicContact NH2-OD2 3.16Å; R1152-D1155 PolarHBondContact NH2-OD2 3.19Å; R1152-D1155 WeakPolarHBondContact O-CA 3.48Å; R1152-D1155 WeakPolarHBondContact O-CB 3.37Å; R1152-D1155 PolarHBondContact O-N 3.05Å; L1153-D1155 VanDerWaalsContact C-N 3.25Å; L1153-D1155 PolarHBondContact O-N 2.91Å; L1153-D1155 VanDerWaalsContact O-N 3.16Å; D1155-R1158 VanDerWaalsContact C-NH1 3.32Å; D1155-R1158 VanDerWaalsContact O-CZ 3.26Å; D1155-R1158 PolarHBondContact O-NH1 3.17Å; D1155-R1158 PolarHBondContact O-NH2 3Å |
| 1156 | V | 84.6 | Confident | 70.5 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -96 | -10.7 | 176.4 | -74.7 | 0 | 0 | 0 | 0 | 114.1 | I1085 I1151 L1153 R1154 V1175 G1176 V1244 | I1085-V1156 HydrophobicContact CD1-CB 4.41Å; I1085-V1156 HydrophobicContact CD1-CG1 4.26Å; I1085-V1156 HydrophobicContact CD1-CG2 3.98Å; I1151-V1156 HydrophobicContact CG2-CG1 3.62Å; I1151-V1156 HydrophobicContact CG2-CG2 3.89Å; I1151-V1156 VanDerWaalsContact CG2-CG2 3.41Å; L1153-V1156 HydrophobicContact CD1-CG2 3.88Å; L1153-V1156 WeakPolarHBondContact O-CG2 3.35Å; L1153-V1156 PolarHBondContact O-N 3.01Å; L1153-V1156 VanDerWaalsContact O-N 3.15Å; R1154-V1156 VanDerWaalsContact C-N 3.29Å; R1154-V1156 PolarHBondContact O-N 3.47Å; V1156-V1175 WeakPolarHBondContact O-CA 3.35Å; V1156-G1176 PolarHBondContact O-N 3.14Å; V1156-G1176 VanDerWaalsContact O-N 3.16Å; V1156-V1244 HydrophobicContact CB-CG1 4.28Å; V1156-V1244 HydrophobicContact CG1-CG1 4.08Å; V1156-V1244 HydrophobicContact CG1-CG2 4.4Å; V1156-V1244 HydrophobicContact CG2-CG1 4.43Å |
| 1157 | V | 90.8 | Very high | 72.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.8 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L1026 R1027 A1039 V1057 L1153 R1154 G1174 V1175 | L1026-V1157 HydrophobicContact CD1-CG2 4.16Å; R1027-V1157 HydrophobicContact CG-CB 4.49Å; R1027-V1157 HydrophobicContact CG-CG1 4.37Å; A1039-V1157 HydrophobicContact CB-CG1 3.91Å; V1057-V1157 HydrophobicContact CG1-CG1 4.32Å; V1057-V1157 HydrophobicContact CG1-CG2 4.16Å; V1057-V1157 HydrophobicContact CG2-CG2 3.7Å; L1153-V1157 HydrophobicContact CD1-CG2 4.34Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.34Å; L1153-V1157 PolarHBondContact O-N 3.08Å; R1154-V1157 PolarHBondContact O-N 3.01Å; V1157-G1174 CarbonylContact C-O 3.55Å; V1157-G1174 VanDerWaalsContact CA-O 3.28Å; V1157-G1174 WeakPolarHBondContact CA-O 3.37Å; V1157-V1175 HydrophobicContact CG2-CG1 4.37Å; V1157-V1175 HydrophobicContact CG2-CG2 4.36Å |
| 1158 | R | 92.3 | Very high | 75.2 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 14% | 0.143 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.5 | 174.9 | -64.4 | -63.8 | 177.3 | -85.6 | -7.7 | 110.8 | R1027 R1154 D1155 V1173 G1174 P1245 R1246 L1248 | R1027-R1158 VanDerWaalsContact NH2-NH1 3.11Å; R1154-R1158 PolarHBondContact O-NH1 2.98Å; R1154-R1158 VanDerWaalsContact O-NH1 3.14Å; D1155-R1158 VanDerWaalsContact C-NH1 3.32Å; D1155-R1158 VanDerWaalsContact O-CZ 3.26Å; D1155-R1158 PolarHBondContact O-NH1 3.17Å; D1155-R1158 PolarHBondContact O-NH2 3Å; R1158-V1173 CarbonylContact O-C 3.59Å; R1158-V1173 WeakPolarHBondContact O-CA 3.47Å; R1158-G1174 PolarHBondContact N-O 3.22Å; R1158-G1174 PolarHBondContact O-N 3.12Å; R1158-P1245 HydrophobicContact CG-CG 4.34Å; R1158-P1245 PolarHBondContact NH2-O 3.18Å; R1158-R1246 VanDerWaalsContact CZ-C 3.44Å; R1158-R1246 PolarHBondContact NE-O 3.09Å; R1158-R1246 VanDerWaalsContact NE-O 3.07Å; R1158-R1246 PolarHBondContact NH1-O 3.41Å; R1158-R1246 PolarHBondContact NH2-O 3.15Å; R1158-L1248 HydrophobicContact CB-CB 4.11Å; R1158-L1248 HydrophobicContact CG-CB 4.34Å |
| 1159 | L | 94.4 | Very high | 77.9 | Confident | 22.2 Ų | 22.2 | 43.5 Ų | 43.5 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.5 | 172 | -62 | 179.6 | 0 | 0 | 0 | 108.8 | R1027 A1037 A1039 V1059 L1171 T1172 V1173 | R1027-L1159 HydrophobicContact CB-CD1 4.16Å; R1027-L1159 HydrophobicContact CB-CG 4.37Å; A1037-L1159 HydrophobicContact CB-CD1 4.14Å; A1039-L1159 HydrophobicContact CB-CD1 3.87Å; A1039-L1159 HydrophobicContact CB-CD2 4.3Å; A1039-L1159 HydrophobicContact CB-CG 4.22Å; V1059-L1159 HydrophobicContact CG1-CD2 4.05Å; V1059-L1159 HydrophobicContact CG2-CD2 4.21Å; L1159-L1171 HydrophobicContact CD2-CD1 4.47Å; L1159-T1172 WeakPolarHBondContact CA-O 3.3Å; L1159-V1173 HydrophobicContact CD2-CB 4.3Å; L1159-V1173 HydrophobicContact CD2-CG1 4.03Å; L1159-V1173 HydrophobicContact CD2-CG2 3.91Å |
| 1160 | A | 92.7 | Very high | 80.6 | Confident | 9.8 Ų | 9.8 | 39.8 Ų | 39.8 | 8% | 0.081 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1172 L1248 | A1160-T1172 WeakPolarHBondContact CB-OG1 3.19Å; A1160-T1172 PolarHBondContact N-O 3.15Å; A1160-T1172 PolarHBondContact N-OG1 2.74Å; A1160-T1172 WeakPolarHBondContact O-CA 3.35Å; A1160-T1172 VanDerWaalsContact O-CB 3.3Å; A1160-T1172 WeakPolarHBondContact O-CB 3.43Å; A1160-T1172 PolarHBondContact O-N 3.17Å; A1160-T1172 PolarHBondContact O-OG1 3.29Å; A1160-L1248 HydrophobicContact CB-CD2 3.33Å |
| 1161 | W | 91.7 | Very high | 83.1 | Confident | 14.2 Ų | 14.2 | 34.8 Ų | 34.8 | 5% | 0.054 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 149.2 | 176.2 | -68.6 | 100.7 | 0 | 0 | 0 | 111 | S963 S1029 C1030 A1031 R1035 A1037 V1061 H1169 L1170 L1171 W1227 | S963-W1161 PolarHBondContact OG-O 2.81Å; S1029-W1161 PolarHBondContact O-NE1 3.03Å; S1029-W1161 VanDerWaalsContact OG-CD1 3.25Å; C1030-W1161 VanDerWaalsContact C-CD1 3.42Å; C1030-W1161 VanDerWaalsContact O-CD1 3.3Å; A1031-W1161 HydrophobicContact CB-CB 4.27Å; A1031-W1161 HydrophobicContact CB-CD2 3.6Å; A1031-W1161 HydrophobicContact CB-CE3 3.86Å; A1031-W1161 HydrophobicContact CB-CG 3.8Å; A1031-W1161 HydrophobicContact CB-CH2 4.46Å; A1031-W1161 HydrophobicContact CB-CZ2 4.36Å; A1031-W1161 HydrophobicContact CB-CZ3 4.35Å; A1031-W1161 VanDerWaalsContact N-CD1 3.33Å; R1035-W1161 HydrophobicContact CG-CH2 4.27Å; A1037-W1161 HydrophobicContact CB-CH2 4.45Å; A1037-W1161 HydrophobicContact CB-CZ2 3.53Å; A1037-W1161 VanDerWaalsContact CB-CZ2 3.49Å; V1061-W1161 HydrophobicContact CG1-CH2 4.18Å; W1161-H1169 HydrophobicContact CE3-CB 3.94Å; W1161-H1169 HydrophobicContact CZ3-CB 4.13Å; W1161-L1170 WeakPolarHBondContact CA-O 3.42Å; W1161-L1170 VanDerWaalsContact CE3-O 3.29Å; W1161-L1171 HydrophobicContact CD2-CB 4.49Å; W1161-L1171 HydrophobicContact CD2-CD1 4Å; W1161-L1171 HydrophobicContact CE3-CB 3.99Å; W1161-L1171 HydrophobicContact CE3-CD1 4.3Å; W1161-L1171 HydrophobicContact CH2-CB 3.87Å; W1161-L1171 HydrophobicContact CH2-CD1 4.13Å; W1161-L1171 HydrophobicContact CH2-CD2 4.35Å; W1161-L1171 HydrophobicContact CH2-CG 4.33Å; W1161-L1171 HydrophobicContact CZ2-CB 4.44Å; W1161-L1171 HydrophobicContact CZ2-CD1 3.83Å; W1161-L1171 HydrophobicContact CZ2-CD2 4.42Å; W1161-L1171 HydrophobicContact CZ2-CG 4.44Å; W1161-L1171 HydrophobicContact CZ3-CB 3.62Å; W1161-L1171 HydrophobicContact CZ3-CD1 4.35Å; W1161-L1171 HydrophobicContact CZ3-CG 4.46Å; W1161-W1227 AromaticContact CH2-CH2 3.81Å; W1161-W1227 HydrophobicContact CH2-CH2 3.81Å; W1161-W1227 HydrophobicContact CH2-CZ2 4.33Å; W1161-W1227 HydrophobicContact CH2-CZ3 4.29Å; W1161-W1227 AromaticContact CZ3-CH2 3.53Å; W1161-W1227 HydrophobicContact CZ3-CH2 3.53Å; W1161-W1227 HydrophobicContact CZ3-CZ2 4.43Å; W1161-W1227 AromaticContact CZ3-CZ3 3.92Å; W1161-W1227 HydrophobicContact CZ3-CZ3 3.92Å |
| 1162 | I | 89.2 | Confident | 85.2 | Confident | 12.2 Ų | 12.2 | 32.3 Ų | 32.3 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.1 | 164.6 | -177.7 | 160.9 | 0 | 0 | 0 | 110 | H1169 L1170 W1250 F1362 | I1162-H1169 CarbonylContact O-C 3.55Å; I1162-H1169 WeakPolarHBondContact O-CA 3.37Å; I1162-L1170 HydrophobicContact CG2-CB 3.77Å; I1162-L1170 HydrophobicContact CG2-CD1 4.25Å; I1162-L1170 HydrophobicContact CG2-CG 4.38Å; I1162-L1170 PolarHBondContact N-O 3.14Å; I1162-L1170 VanDerWaalsContact N-O 3.09Å; I1162-L1170 PolarHBondContact O-N 3.16Å; I1162-W1250 HydrophobicContact CB-CB 4.12Å; I1162-W1250 HydrophobicContact CB-CD2 4.01Å; I1162-W1250 HydrophobicContact CB-CG 3.76Å; I1162-W1250 HydrophobicContact CD1-CB 3.85Å; I1162-W1250 HydrophobicContact CD1-CD2 3.6Å; I1162-W1250 VanDerWaalsContact CD1-CD2 3.49Å; I1162-W1250 HydrophobicContact CD1-CE3 3.36Å; I1162-W1250 VanDerWaalsContact CD1-CE3 3.45Å; I1162-W1250 HydrophobicContact CD1-CG 3.83Å; I1162-W1250 HydrophobicContact CD1-CZ3 4.06Å; I1162-W1250 HydrophobicContact CG1-CB 4.31Å; I1162-W1250 HydrophobicContact CG1-CD2 4.39Å; I1162-W1250 HydrophobicContact CG1-CE3 4.49Å; I1162-W1250 HydrophobicContact CG1-CG 4.29Å; I1162-W1250 HydrophobicContact CG2-CD2 4.11Å; I1162-W1250 HydrophobicContact CG2-CG 4.3Å; I1162-W1250 HydrophobicContact CG2-CZ2 4.39Å; I1162-F1362 HydrophobicContact CD1-CE1 3.95Å; I1162-F1362 HydrophobicContact CD1-CZ 3.49Å; I1162-F1362 VanDerWaalsContact CD1-CZ 3.47Å; I1162-F1362 HydrophobicContact CG1-CE1 4.02Å; I1162-F1362 HydrophobicContact CG1-CZ 4.02Å; I1162-F1362 HydrophobicContact CG2-CE1 4.21Å; I1162-F1362 HydrophobicContact CG2-CZ 4.29Å |
| 1163 | S | 85.8 | Confident | 86.6 | Confident | 25.6 Ų | 25.6 | 26.6 Ų | 26.6 | 18% | 0.179 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.1 | 172.3 | -159.3 | 0 | 0 | 0 | 0 | 109.9 | S963 E1165 S1168 H1169 | S963-S1163 PolarHBondContact OG-N 3.21Å; S963-S1163 VanDerWaalsContact OG-N 3.13Å; S1163-E1165 PolarHBondContact O-N 3.03Å; S1163-E1165 PolarHBondContact OG-N 3.25Å; S1163-S1168 WeakPolarHBondContact CA-O 3.27Å; S1163-H1169 WeakPolarHBondContact CA-ND1 3.47Å; S1163-H1169 PolarHBondContact OG-CE1 3.38Å; S1163-H1169 PolarHBondContact OG-ND1 2.91Å |
| 1164 | A | 82.4 | Confident | 87.4 | Confident | 14.2 Ų | 14.2 | 25.3 Ų | 25.3 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | trans | -84.8 | 137.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1166 G1167 S1168 L1170 F1362 | A1164-D1166 VanDerWaalsContact C-N 3.26Å; A1164-D1166 WeakPolarHBondContact CB-OD1 3.35Å; A1164-D1166 PolarHBondContact O-N 3.05Å; A1164-D1166 VanDerWaalsContact O-N 3.09Å; A1164-G1167 PolarHBondContact O-N 3.3Å; A1164-G1167 VanDerWaalsContact O-N 3.15Å; A1164-S1168 VanDerWaalsContact CB-OG 3.29Å; A1164-S1168 WeakPolarHBondContact CB-OG 3.42Å; A1164-S1168 PolarHBondContact N-O 3.12Å; A1164-L1170 HydrophobicContact CB-CD1 4.1Å; A1164-F1362 HydrophobicContact CB-CB 4.49Å; A1164-F1362 HydrophobicContact CB-CD1 4.01Å; A1164-F1362 HydrophobicContact CB-CE1 4.42Å; A1164-F1362 HydrophobicContact CB-CG 4.47Å | ||
| 1165 | E | 77 | Confident | 88.1 | Confident | 151.4 Ų | 151.4 | 21.6 Ų | 21.6 | 71% | 0.707 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -27.5 | -11.1 | -179.1 | -58.9 | -178.4 | 168.8 | 0 | 0 | 113.8 | S1163 G1167 R1252 | S1163-E1165 PolarHBondContact O-N 3.03Å; S1163-E1165 PolarHBondContact OG-N 3.25Å; E1165-G1167 VanDerWaalsContact C-N 3.28Å; E1165-G1167 PolarHBondContact O-N 2.94Å; E1165-R1252 WeakPolarHBondContact OE1-CD 3.32Å; E1165-R1252 IonicContact OE1-CZ 3.92Å; E1165-R1252 IonicContact OE1-NE 2.96Å; E1165-R1252 IonicContact OE1-NH1 3.05Å; E1165-R1252 PolarHBondContact OE1-NH1 3.05Å; E1165-R1252 IonicContact OE2-NH1 3.93Å |
| 1166 | D | 75.4 | Confident | 88.4 | Confident | 50 Ų | 50 | 19.1 Ų | 19.1 | 27% | 0.267 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.6 | 175.1 | 66.6 | -6.7 | 0 | 0 | 0 | 113.5 | A1164 S1168 L1371 | A1164-D1166 VanDerWaalsContact C-N 3.26Å; A1164-D1166 WeakPolarHBondContact CB-OD1 3.35Å; A1164-D1166 PolarHBondContact O-N 3.05Å; A1164-D1166 VanDerWaalsContact O-N 3.09Å; D1166-S1168 VanDerWaalsContact C-N 3.28Å; D1166-S1168 PolarHBondContact O-N 3.45Å; D1166-S1168 VanDerWaalsContact OD1-CB 3.27Å; D1166-S1168 WeakPolarHBondContact OD1-CB 3.31Å; D1166-S1168 PolarHBondContact OD1-N 3.28Å; D1166-S1168 PolarHBondContact OD1-OG 3.07Å; D1166-S1168 PolarHBondContact OD2-OG 3.18Å; D1166-L1371 HydrophobicContact CB-CD1 3.72Å; D1166-L1371 HydrophobicContact CB-CG 4.36Å |
| 1167 | G | 77.5 | Confident | 88.5 | Confident | 38.8 Ų | 38.8 | 19.3 Ų | 19.3 | 40% | 0.4 | 11% | 0.11 | S | C | . | . | S | Bend | trans | 85.9 | -2.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1164 E1165 | A1164-G1167 PolarHBondContact O-N 3.3Å; A1164-G1167 VanDerWaalsContact O-N 3.15Å; E1165-G1167 VanDerWaalsContact C-N 3.28Å; E1165-G1167 PolarHBondContact O-N 2.94Å |
| 1168 | S | 84.2 | Confident | 88.6 | Confident | 13.4 Ų | 13.4 | 19.9 Ų | 19.9 | 9% | 0.094 | 11% | 0.113 | C | C | . | . | trans | -82.6 | 162.1 | 172.6 | 74 | 0 | 0 | 0 | 0 | 112.3 | S1163 A1164 D1166 M1369 | S1163-S1168 WeakPolarHBondContact CA-O 3.27Å; A1164-S1168 VanDerWaalsContact CB-OG 3.29Å; A1164-S1168 WeakPolarHBondContact CB-OG 3.42Å; A1164-S1168 PolarHBondContact N-O 3.12Å; D1166-S1168 VanDerWaalsContact C-N 3.28Å; D1166-S1168 PolarHBondContact O-N 3.45Å; D1166-S1168 VanDerWaalsContact OD1-CB 3.27Å; D1166-S1168 WeakPolarHBondContact OD1-CB 3.31Å; D1166-S1168 PolarHBondContact OD1-N 3.28Å; D1166-S1168 PolarHBondContact OD1-OG 3.07Å; D1166-S1168 PolarHBondContact OD2-OG 3.18Å; S1168-M1369 VanDerWaalsContact CB-CE 3.46Å | ||
| 1169 | H | 88.9 | Confident | 88.6 | Confident | 4.6 Ų | 4.6 | 18.1 Ų | 18.1 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.3 | -179 | -64.9 | -75.1 | 0 | 0 | 0 | 111.4 | S963 A1031 Y1032 W1161 I1162 S1163 P1184 W1227 | S963-H1169 VanDerWaalsContact CB-CE1 3.49Å; S963-H1169 WeakPolarHBondContact CB-CE1 3.46Å; S963-H1169 PolarHBondContact O-CE1 3.34Å; S963-H1169 VanDerWaalsContact O-CE1 3.32Å; A1031-H1169 HydrophobicContact CB-CB 4.29Å; Y1032-H1169 AromaticContact CD1-CD2 3.77Å; Y1032-H1169 AromaticContact CD1-NE2 3.44Å; Y1032-H1169 WeakPolarHBondContact CD1-NE2 3.36Å; Y1032-H1169 AromaticContact CE1-CD2 3.55Å; Y1032-H1169 VanDerWaalsContact CE1-CD2 3.47Å; Y1032-H1169 WeakPolarHBondContact CE1-CD2 3.36Å; Y1032-H1169 AromaticContact CE1-NE2 3.6Å; Y1032-H1169 WeakPolarHBondContact CE1-NE2 3.34Å; W1161-H1169 HydrophobicContact CE3-CB 3.94Å; W1161-H1169 HydrophobicContact CZ3-CB 4.13Å; I1162-H1169 CarbonylContact O-C 3.55Å; I1162-H1169 WeakPolarHBondContact O-CA 3.37Å; S1163-H1169 WeakPolarHBondContact CA-ND1 3.47Å; S1163-H1169 PolarHBondContact OG-CE1 3.38Å; S1163-H1169 PolarHBondContact OG-ND1 2.91Å; H1169-P1184 WeakPolarHBondContact O-CD 3.38Å; H1169-W1227 WeakPolarHBondContact O-CH2 3.24Å |
| 1170 | L | 92.6 | Very high | 88.6 | Confident | 2.4 Ų | 2.4 | 17.9 Ų | 17.9 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138 | 173.3 | -62.7 | 138 | 0 | 0 | 0 | 110 | W1161 I1162 A1164 Y1182 A1183 L1361 F1362 A1365 | W1161-L1170 WeakPolarHBondContact CA-O 3.42Å; W1161-L1170 VanDerWaalsContact CE3-O 3.29Å; I1162-L1170 HydrophobicContact CG2-CB 3.77Å; I1162-L1170 HydrophobicContact CG2-CD1 4.25Å; I1162-L1170 HydrophobicContact CG2-CG 4.38Å; I1162-L1170 PolarHBondContact N-O 3.14Å; I1162-L1170 VanDerWaalsContact N-O 3.09Å; I1162-L1170 PolarHBondContact O-N 3.16Å; A1164-L1170 HydrophobicContact CB-CD1 4.1Å; L1170-Y1182 WeakPolarHBondContact CA-O 3.37Å; L1170-Y1182 WeakPolarHBondContact CD2-O 3.42Å; L1170-A1183 HydrophobicContact CD2-CB 3.61Å; L1170-A1183 HydrophobicContact CG-CB 4.34Å; L1170-L1361 HydrophobicContact CD1-CD1 4.34Å; L1170-L1361 HydrophobicContact CD1-CD2 3.97Å; L1170-L1361 HydrophobicContact CD1-CG 3.8Å; L1170-L1361 HydrophobicContact CD2-CD1 3.93Å; L1170-L1361 HydrophobicContact CD2-CD2 4Å; L1170-L1361 HydrophobicContact CD2-CG 3.7Å; L1170-F1362 HydrophobicContact CD1-CD1 3.87Å; L1170-F1362 HydrophobicContact CD1-CE1 3.98Å; L1170-A1365 HydrophobicContact CD1-CB 4.23Å; L1170-A1365 HydrophobicContact CD2-CB 3.85Å; L1170-A1365 HydrophobicContact CG-CB 4.29Å |
| 1171 | L | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.1 | 178 | 177.5 | 60.1 | 0 | 0 | 0 | 109.8 | A1037 V1059 V1061 I1078 L1159 W1161 V1173 Y1182 W1227 | A1037-L1171 HydrophobicContact CB-CD1 3.68Å; A1037-L1171 HydrophobicContact CB-CD2 3.93Å; A1037-L1171 HydrophobicContact CB-CG 4.47Å; V1059-L1171 HydrophobicContact CG1-CD2 4.08Å; V1061-L1171 HydrophobicContact CG2-CD2 3.76Å; I1078-L1171 HydrophobicContact CD1-CD2 3.91Å; L1159-L1171 HydrophobicContact CD2-CD1 4.47Å; W1161-L1171 HydrophobicContact CD2-CB 4.49Å; W1161-L1171 HydrophobicContact CD2-CD1 4Å; W1161-L1171 HydrophobicContact CE3-CB 3.99Å; W1161-L1171 HydrophobicContact CE3-CD1 4.3Å; W1161-L1171 HydrophobicContact CH2-CB 3.87Å; W1161-L1171 HydrophobicContact CH2-CD1 4.13Å; W1161-L1171 HydrophobicContact CH2-CD2 4.35Å; W1161-L1171 HydrophobicContact CH2-CG 4.33Å; W1161-L1171 HydrophobicContact CZ2-CB 4.44Å; W1161-L1171 HydrophobicContact CZ2-CD1 3.83Å; W1161-L1171 HydrophobicContact CZ2-CD2 4.42Å; W1161-L1171 HydrophobicContact CZ2-CG 4.44Å; W1161-L1171 HydrophobicContact CZ3-CB 3.62Å; W1161-L1171 HydrophobicContact CZ3-CD1 4.35Å; W1161-L1171 HydrophobicContact CZ3-CG 4.46Å; L1171-V1173 HydrophobicContact CD1-CG2 4.46Å; L1171-V1173 HydrophobicContact CD2-CG2 4.05Å; L1171-V1173 HydrophobicContact CG-CG2 3.87Å; L1171-Y1182 PolarHBondContact N-O 3.2Å; L1171-Y1182 PolarHBondContact O-N 3.17Å; L1171-W1227 HydrophobicContact CB-CE3 4.11Å; L1171-W1227 HydrophobicContact CB-CH2 4.48Å; L1171-W1227 HydrophobicContact CB-CZ3 3.68Å |
| 1172 | T | 95.3 | Very high | 88.8 | Confident | 0.6 Ų | 0.6 | 17.9 Ų | 17.9 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.3 | 172.7 | -11.3 | 0 | 0 | 0 | 0 | 110.2 | L1159 A1160 I1179 F1180 L1181 L1248 W1250 M1256 | L1159-T1172 WeakPolarHBondContact CA-O 3.3Å; A1160-T1172 WeakPolarHBondContact CB-OG1 3.19Å; A1160-T1172 PolarHBondContact N-O 3.15Å; A1160-T1172 PolarHBondContact N-OG1 2.74Å; A1160-T1172 WeakPolarHBondContact O-CA 3.35Å; A1160-T1172 VanDerWaalsContact O-CB 3.3Å; A1160-T1172 WeakPolarHBondContact O-CB 3.43Å; A1160-T1172 PolarHBondContact O-N 3.17Å; A1160-T1172 PolarHBondContact O-OG1 3.29Å; T1172-I1179 HydrophobicContact CG2-CG2 3.43Å; T1172-I1179 VanDerWaalsContact CG2-CG2 3.45Å; T1172-F1180 CarbonylContact C-O 3.55Å; T1172-F1180 WeakPolarHBondContact CA-O 3.33Å; T1172-L1181 HydrophobicContact CG2-CD2 3.65Å; T1172-L1181 HydrophobicContact CG2-CG 4.28Å; T1172-L1181 WeakPolarHBondContact OG1-CD2 3.41Å; T1172-L1248 HydrophobicContact CG2-CD1 3.94Å; T1172-L1248 HydrophobicContact CG2-CD2 3.79Å; T1172-L1248 HydrophobicContact CG2-CG 4.46Å; T1172-L1248 VanDerWaalsContact OG1-CD2 3.31Å; T1172-L1248 WeakPolarHBondContact OG1-CD2 3.45Å; T1172-W1250 HydrophobicContact CG2-CZ2 3.64Å; T1172-W1250 PolarHBondContact OG1-NE1 3.11Å; T1172-M1256 HydrophobicContact CG2-SD 4.08Å |
| 1173 | V | 95.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 109 | -178.7 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | V1059 L1080 R1158 L1159 L1171 V1175 I1179 F1180 Y1182 | V1059-V1173 HydrophobicContact CG1-CG2 4.49Å; V1059-V1173 HydrophobicContact CG2-CG1 3.82Å; V1059-V1173 HydrophobicContact CG2-CG2 4.28Å; L1080-V1173 HydrophobicContact CD1-CB 4.44Å; L1080-V1173 HydrophobicContact CD1-CG1 3.71Å; R1158-V1173 CarbonylContact O-C 3.59Å; R1158-V1173 WeakPolarHBondContact O-CA 3.47Å; L1159-V1173 HydrophobicContact CD2-CB 4.3Å; L1159-V1173 HydrophobicContact CD2-CG1 4.03Å; L1159-V1173 HydrophobicContact CD2-CG2 3.91Å; L1171-V1173 HydrophobicContact CD1-CG2 4.46Å; L1171-V1173 HydrophobicContact CD2-CG2 4.05Å; L1171-V1173 HydrophobicContact CG-CG2 3.87Å; V1173-V1175 HydrophobicContact CG1-CG2 4.02Å; V1173-I1179 CarbonylContact O-C 3.55Å; V1173-I1179 WeakPolarHBondContact O-CA 3.31Å; V1173-F1180 HydrophobicContact CB-CB 4.48Å; V1173-F1180 PolarHBondContact N-O 3.32Å; V1173-F1180 WeakPolarHBondContact O-CD2 3.46Å; V1173-F1180 PolarHBondContact O-N 3.2Å; V1173-Y1182 HydrophobicContact CB-CE2 4.4Å; V1173-Y1182 HydrophobicContact CG2-CD2 4.08Å; V1173-Y1182 HydrophobicContact CG2-CE2 4.21Å |
| 1174 | G | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1157 R1158 L1178 | V1157-G1174 CarbonylContact C-O 3.55Å; V1157-G1174 VanDerWaalsContact CA-O 3.28Å; V1157-G1174 WeakPolarHBondContact CA-O 3.37Å; R1158-G1174 PolarHBondContact N-O 3.22Å; R1158-G1174 PolarHBondContact O-N 3.12Å; G1174-L1178 CarbonylContact C-O 3.47Å; G1174-L1178 WeakPolarHBondContact CA-O 3.36Å |
| 1175 | V | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 113.6 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | V1055 V1057 L1080 I1083 V1156 V1157 V1173 S1177 L1178 | V1055-V1175 HydrophobicContact CG2-CG1 3.83Å; V1057-V1175 HydrophobicContact CB-CG2 4.37Å; V1057-V1175 HydrophobicContact CG1-CG2 4.45Å; V1057-V1175 HydrophobicContact CG2-CG1 3.96Å; V1057-V1175 HydrophobicContact CG2-CG2 4.38Å; L1080-V1175 HydrophobicContact CD1-CG2 3.71Å; I1083-V1175 HydrophobicContact CB-CG1 4.22Å; I1083-V1175 HydrophobicContact CD1-CB 3.69Å; I1083-V1175 HydrophobicContact CD1-CG1 3.81Å; I1083-V1175 HydrophobicContact CD1-CG2 4.12Å; I1083-V1175 HydrophobicContact CG1-CG1 4.22Å; I1083-V1175 HydrophobicContact CG2-CB 4.32Å; I1083-V1175 HydrophobicContact CG2-CG1 3.93Å; V1156-V1175 WeakPolarHBondContact O-CA 3.35Å; V1157-V1175 HydrophobicContact CG2-CG1 4.37Å; V1157-V1175 HydrophobicContact CG2-CG2 4.36Å; V1173-V1175 HydrophobicContact CG1-CG2 4.02Å; V1175-S1177 PolarHBondContact O-N 3.31Å; V1175-L1178 PolarHBondContact N-O 3.11Å; V1175-L1178 PolarHBondContact O-N 3.18Å; V1175-L1178 VanDerWaalsContact O-N 3.11Å |
| 1176 | G | 86.7 | Confident | 89.1 | Confident | 0.8 Ų | 0.8 | 9.4 Ų | 9.4 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -130.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1156 L1178 P1245 | V1156-G1176 PolarHBondContact O-N 3.14Å; V1156-G1176 VanDerWaalsContact O-N 3.16Å; G1176-L1178 VanDerWaalsContact C-N 3.3Å; G1176-L1178 PolarHBondContact O-N 2.94Å; G1176-P1245 WeakPolarHBondContact O-CD 3.36Å; G1176-P1245 WeakPolarHBondContact O-CG 3.24Å |
| 1177 | S | 87.4 | Confident | 88.8 | Confident | 7.2 Ų | 7.2 | 10.4 Ų | 10.4 | 5% | 0.05 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -2.6 | 176.8 | 59.1 | 0 | 0 | 0 | 0 | 114 | V1175 L1235 | V1175-S1177 PolarHBondContact O-N 3.31Å; S1177-L1235 WeakPolarHBondContact O-CB 3.31Å; S1177-L1235 WeakPolarHBondContact O-CG 3.36Å; S1177-L1235 PolarHBondContact O-N 3.12Å |
| 1178 | L | 92 | Very high | 88.4 | Confident | 11.8 Ų | 11.8 | 9.7 Ų | 9.7 | 6% | 0.062 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.8 | -174.5 | -61.2 | 179.7 | 0 | 0 | 0 | 111.4 | I1083 G1174 V1175 G1176 F1180 E1234 I1278 L1284 | I1083-L1178 HydrophobicContact CD1-CD1 4.47Å; I1083-L1178 HydrophobicContact CG2-CD1 4.23Å; G1174-L1178 CarbonylContact C-O 3.47Å; G1174-L1178 WeakPolarHBondContact CA-O 3.36Å; V1175-L1178 PolarHBondContact N-O 3.11Å; V1175-L1178 PolarHBondContact O-N 3.18Å; V1175-L1178 VanDerWaalsContact O-N 3.11Å; G1176-L1178 VanDerWaalsContact C-N 3.3Å; G1176-L1178 PolarHBondContact O-N 2.94Å; L1178-F1180 HydrophobicContact CB-CD2 4.45Å; L1178-F1180 HydrophobicContact CB-CE2 3.61Å; L1178-F1180 HydrophobicContact CB-CZ 3.73Å; L1178-F1180 HydrophobicContact CD1-CE2 4.36Å; L1178-F1180 HydrophobicContact CD1-CZ 3.75Å; L1178-F1180 HydrophobicContact CG-CZ 4.37Å; L1178-E1234 HydrophobicContact CD2-CB 3.88Å; L1178-E1234 HydrophobicContact CD2-CG 3.88Å; L1178-I1278 HydrophobicContact CD2-CD1 4.22Å; L1178-I1278 HydrophobicContact CD2-CG2 4.15Å; L1178-L1284 HydrophobicContact CD1-CD1 3.43Å; L1178-L1284 VanDerWaalsContact CD1-CD1 3.43Å; L1178-L1284 HydrophobicContact CD1-CD2 4.5Å |
| 1179 | I | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.4 | 171.7 | -58.6 | 172.9 | 0 | 0 | 0 | 108.5 | T1172 V1173 L1181 C1232 V1233 L1235 L1248 M1256 V1258 | T1172-I1179 HydrophobicContact CG2-CG2 3.43Å; T1172-I1179 VanDerWaalsContact CG2-CG2 3.45Å; V1173-I1179 CarbonylContact O-C 3.55Å; V1173-I1179 WeakPolarHBondContact O-CA 3.31Å; I1179-L1181 HydrophobicContact CG2-CD1 4.22Å; I1179-L1181 HydrophobicContact CG2-CD2 4.48Å; I1179-C1232 CarbonylContact O-C 3.46Å; I1179-C1232 VanDerWaalsContact O-CA 3.25Å; I1179-C1232 WeakPolarHBondContact O-CA 3.42Å; I1179-C1232 PolarHBondContact O-SG 3.23Å; I1179-C1232 VanDerWaalsContact O-SG 3.37Å; I1179-V1233 HydrophobicContact CB-CB 4.3Å; I1179-V1233 PolarHBondContact N-O 3.23Å; I1179-V1233 PolarHBondContact O-N 3.08Å; I1179-L1235 HydrophobicContact CD1-CD1 3.97Å; I1179-L1235 HydrophobicContact CD1-CD2 3.78Å; I1179-L1235 HydrophobicContact CD1-CG 4.05Å; I1179-L1235 HydrophobicContact CG1-CD1 4.17Å; I1179-L1235 HydrophobicContact CG1-CG 4.33Å; I1179-L1248 HydrophobicContact CD1-CD1 3.74Å; I1179-L1248 HydrophobicContact CG1-CD1 4.01Å; I1179-L1248 HydrophobicContact CG2-CD1 3.95Å; I1179-M1256 HydrophobicContact CD1-CE 3.87Å; I1179-M1256 HydrophobicContact CD1-SD 4.4Å; I1179-M1256 HydrophobicContact CG2-CE 4.24Å; I1179-M1256 HydrophobicContact CG2-SD 4.02Å; I1179-V1258 HydrophobicContact CD1-CG1 4.24Å; I1179-V1258 HydrophobicContact CD1-CG2 3.57Å |
| 1180 | F | 94.1 | Very high | 86.2 | Confident | 19.4 Ų | 19.4 | 12 Ų | 12 | 9% | 0.085 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.6 | 178.6 | -55.9 | -86.6 | 0 | 0 | 0 | 110.2 | L1080 I1083 T1172 V1173 L1178 Y1182 C1232 L1286 | L1080-F1180 HydrophobicContact CD1-CD2 4.11Å; L1080-F1180 HydrophobicContact CD1-CE2 4.23Å; L1080-F1180 HydrophobicContact CD2-CD2 4.23Å; L1080-F1180 HydrophobicContact CD2-CE1 4.49Å; L1080-F1180 HydrophobicContact CD2-CE2 4.16Å; L1080-F1180 HydrophobicContact CD2-CG 4.45Å; L1080-F1180 HydrophobicContact CD2-CZ 4.36Å; I1083-F1180 HydrophobicContact CD1-CE2 3.76Å; I1083-F1180 HydrophobicContact CD1-CZ 4.01Å; T1172-F1180 CarbonylContact C-O 3.55Å; T1172-F1180 WeakPolarHBondContact CA-O 3.33Å; V1173-F1180 HydrophobicContact CB-CB 4.48Å; V1173-F1180 PolarHBondContact N-O 3.32Å; V1173-F1180 WeakPolarHBondContact O-CD2 3.46Å; V1173-F1180 PolarHBondContact O-N 3.2Å; L1178-F1180 HydrophobicContact CB-CD2 4.45Å; L1178-F1180 HydrophobicContact CB-CE2 3.61Å; L1178-F1180 HydrophobicContact CB-CZ 3.73Å; L1178-F1180 HydrophobicContact CD1-CE2 4.36Å; L1178-F1180 HydrophobicContact CD1-CZ 3.75Å; L1178-F1180 HydrophobicContact CG-CZ 4.37Å; F1180-Y1182 HydrophobicContact CB-CD2 4.02Å; F1180-Y1182 HydrophobicContact CB-CE2 3.36Å; F1180-Y1182 HydrophobicContact CG-CE2 4.24Å; F1180-C1232 HydrophobicContact CD1-CB 4.1Å; F1180-C1232 VanDerWaalsContact CD1-SG 3.51Å; F1180-C1232 WeakPolarHBondContact CD1-SG 3.36Å; F1180-C1232 HydrophobicContact CE1-CB 4.43Å; F1180-C1232 VanDerWaalsContact CE1-SG 3.57Å; F1180-C1232 WeakPolarHBondContact CE1-SG 3.16Å; F1180-L1286 HydrophobicContact CE1-CD1 4.24Å; F1180-L1286 HydrophobicContact CE1-CD2 4.06Å |
| 1181 | L | 94.1 | Very high | 85.1 | Confident | 2.4 Ų | 2.4 | 13.8 Ų | 13.8 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 107.9 | -178.2 | -64.6 | 117.7 | 0 | 0 | 0 | 109.1 | M1 T1172 I1179 C1229 L1230 R1231 V1233 W1250 M1256 M1272 L1361 | M1-L1181 HydrophobicContact SD-CD1 3.3Å; M1-L1181 WeakPolarHBondContact SD-CD1 3.32Å; T1172-L1181 HydrophobicContact CG2-CD2 3.65Å; T1172-L1181 HydrophobicContact CG2-CG 4.28Å; T1172-L1181 WeakPolarHBondContact OG1-CD2 3.41Å; I1179-L1181 HydrophobicContact CG2-CD1 4.22Å; I1179-L1181 HydrophobicContact CG2-CD2 4.48Å; L1181-C1229 CarbonylContact O-C 3.55Å; L1181-C1229 WeakPolarHBondContact O-CA 3.34Å; L1181-L1230 PolarHBondContact O-N 3.05Å; L1181-R1231 HydrophobicContact CB-CB 4.18Å; L1181-R1231 WeakPolarHBondContact CB-O 3.36Å; L1181-R1231 HydrophobicContact CD1-CB 3.93Å; L1181-R1231 HydrophobicContact CD1-CG 4.49Å; L1181-R1231 WeakPolarHBondContact CD1-O 3.43Å; L1181-R1231 HydrophobicContact CG-CB 4.29Å; L1181-R1231 PolarHBondContact N-O 3.08Å; L1181-V1233 HydrophobicContact CD1-CG2 4.28Å; L1181-W1250 HydrophobicContact CD2-CH2 3.98Å; L1181-W1250 HydrophobicContact CD2-CZ2 3.61Å; L1181-W1250 HydrophobicContact CG-CZ2 4.46Å; L1181-M1256 HydrophobicContact CD2-SD 4.46Å; L1181-M1272 HydrophobicContact CD1-CE 4.24Å; L1181-M1272 HydrophobicContact CD1-CG 4.24Å; L1181-M1272 HydrophobicContact CD1-SD 4Å; L1181-M1272 HydrophobicContact CD2-CE 4.04Å; L1181-M1272 HydrophobicContact CD2-SD 3.56Å; L1181-M1272 VanDerWaalsContact CD2-SD 3.56Å; L1181-M1272 HydrophobicContact CG-SD 4.39Å; L1181-L1361 HydrophobicContact CB-CD1 4.32Å; L1181-L1361 HydrophobicContact CD1-CD1 4.39Å; L1181-L1361 HydrophobicContact CD1-CD2 4.14Å; L1181-L1361 HydrophobicContact CD2-CD1 4.03Å; L1181-L1361 HydrophobicContact CD2-CD2 3.43Å; L1181-L1361 VanDerWaalsContact CD2-CD2 3.43Å; L1181-L1361 HydrophobicContact CD2-CG 4.38Å |
| 1182 | Y | 93.7 | Very high | 83.7 | Confident | 20.2 Ų | 20.2 | 16.8 Ų | 16.8 | 8% | 0.079 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141 | -176.4 | -68.4 | -95.7 | 0 | 0 | 0 | 111.9 | I1078 L1080 L1170 L1171 V1173 F1180 W1227 I1228 C1229 | I1078-Y1182 HydrophobicContact CD1-CD1 3.76Å; I1078-Y1182 HydrophobicContact CD1-CD2 3.94Å; I1078-Y1182 HydrophobicContact CD1-CE1 4.06Å; I1078-Y1182 HydrophobicContact CD1-CE2 4.2Å; I1078-Y1182 HydrophobicContact CD1-CG 3.73Å; I1078-Y1182 HydrophobicContact CG1-CD1 4.19Å; I1078-Y1182 HydrophobicContact CG1-CE1 4.14Å; I1078-Y1182 HydrophobicContact CG2-CD1 4.42Å; I1078-Y1182 HydrophobicContact CG2-CE1 3.66Å; I1078-Y1182 HydrophobicContact CG2-CE2 3.84Å; I1078-Y1182 VanDerWaalsContact CG2-OH 3.28Å; I1078-Y1182 WeakPolarHBondContact CG2-OH 3.36Å; L1080-Y1182 WeakPolarHBondContact CD2-OH 3.37Å; L1170-Y1182 WeakPolarHBondContact CA-O 3.37Å; L1170-Y1182 WeakPolarHBondContact CD2-O 3.42Å; L1171-Y1182 PolarHBondContact N-O 3.2Å; L1171-Y1182 PolarHBondContact O-N 3.17Å; V1173-Y1182 HydrophobicContact CB-CE2 4.4Å; V1173-Y1182 HydrophobicContact CG2-CD2 4.08Å; V1173-Y1182 HydrophobicContact CG2-CE2 4.21Å; F1180-Y1182 HydrophobicContact CB-CD2 4.02Å; F1180-Y1182 HydrophobicContact CB-CE2 3.36Å; F1180-Y1182 HydrophobicContact CG-CE2 4.24Å; Y1182-W1227 HydrophobicContact CD1-CB 4.4Å; Y1182-I1228 VanDerWaalsContact CA-O 3.28Å; Y1182-I1228 WeakPolarHBondContact CA-O 3.35Å; Y1182-I1228 VanDerWaalsContact CD1-C 3.44Å; Y1182-C1229 HydrophobicContact CD1-CB 3.99Å; Y1182-C1229 VanDerWaalsContact CD1-N 3.29Å; Y1182-C1229 HydrophobicContact CE1-CB 3.57Å; Y1182-C1229 HydrophobicContact CE2-CB 4.41Å; Y1182-C1229 HydrophobicContact CG-CB 4.47Å |
| 1183 | A | 91.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1170 V1185 W1227 I1228 L1230 A1365 | L1170-A1183 HydrophobicContact CD2-CB 3.61Å; L1170-A1183 HydrophobicContact CG-CB 4.34Å; A1183-V1185 WeakPolarHBondContact O-CG2 3.47Å; A1183-W1227 WeakPolarHBondContact O-CA 3.27Å; A1183-I1228 PolarHBondContact N-O 3.25Å; A1183-I1228 VanDerWaalsContact N-O 3.08Å; A1183-I1228 PolarHBondContact O-N 3.2Å; A1183-L1230 HydrophobicContact CB-CD1 3.44Å; A1183-L1230 VanDerWaalsContact CB-CD1 3.44Å; A1183-L1230 HydrophobicContact CB-CD2 4.32Å; A1183-L1230 HydrophobicContact CB-CG 3.82Å; A1183-A1365 HydrophobicContact CB-CB 4.07Å |
| 1184 | P | 89.9 | Confident | 80.9 | Confident | 9.2 Ų | 9.2 | 20.3 Ų | 20.3 | 6% | 0.06 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.5 | 169.8 | 31.5 | -34.1 | 0 | 0 | 0 | 109.5 | H1169 V1225 R1226 W1227 M1369 | H1169-P1184 WeakPolarHBondContact O-CD 3.38Å; P1184-V1225 HydrophobicContact CB-CG1 3.65Å; P1184-R1226 CarbonylContact C-O 3.42Å; P1184-R1226 WeakPolarHBondContact CA-O 3.37Å; P1184-W1227 HydrophobicContact CB-CD2 4.32Å; P1184-W1227 HydrophobicContact CB-CH2 4.33Å; P1184-W1227 HydrophobicContact CB-CZ2 4.01Å; P1184-W1227 HydrophobicContact CG-CH2 4.23Å; P1184-W1227 HydrophobicContact CG-CZ2 4.34Å; P1184-M1369 HydrophobicContact CB-CE 3.51Å; P1184-M1369 HydrophobicContact CB-SD 4.01Å; P1184-M1369 HydrophobicContact CG-CE 4Å; P1184-M1369 HydrophobicContact CG-SD 3.81Å; P1184-M1369 WeakPolarHBondContact O-CG 3.41Å |
| 1185 | V | 83.7 | Confident | 79.6 | Confident | 4.8 Ų | 4.8 | 21.5 Ų | 21.5 | 3% | 0.029 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.5 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | A1183 E1187 A1190 V1225 R1226 I1228 W1348 F1352 A1368 | A1183-V1185 WeakPolarHBondContact O-CG2 3.47Å; V1185-E1187 PolarHBondContact O-N 3.34Å; V1185-A1190 HydrophobicContact CG1-CB 4.09Å; V1185-V1225 WeakPolarHBondContact O-CA 3.4Å; V1185-R1226 HydrophobicContact CB-CG 3.99Å; V1185-R1226 PolarHBondContact N-O 3.08Å; V1185-R1226 PolarHBondContact O-N 3.13Å; V1185-R1226 VanDerWaalsContact O-N 3.16Å; V1185-I1228 HydrophobicContact CB-CD1 4.31Å; V1185-I1228 HydrophobicContact CB-CG1 4.48Å; V1185-I1228 HydrophobicContact CG1-CD1 4.28Å; V1185-I1228 HydrophobicContact CG2-CB 3.93Å; V1185-I1228 HydrophobicContact CG2-CD1 3.71Å; V1185-I1228 HydrophobicContact CG2-CG1 3.66Å; V1185-I1228 HydrophobicContact CG2-CG2 3.63Å; V1185-I1228 VanDerWaalsContact CG2-CG2 3.5Å; V1185-W1348 HydrophobicContact CB-CZ3 4.46Å; V1185-W1348 HydrophobicContact CG1-CH2 3.45Å; V1185-W1348 VanDerWaalsContact CG1-CH2 3.44Å; V1185-W1348 HydrophobicContact CG1-CZ2 4.47Å; V1185-W1348 HydrophobicContact CG1-CZ3 3.64Å; V1185-F1352 HydrophobicContact CG1-CE1 4.42Å; V1185-F1352 HydrophobicContact CG2-CE1 4.38Å; V1185-A1368 HydrophobicContact CB-CB 4.4Å; V1185-A1368 HydrophobicContact CG1-CB 4.32Å; V1185-A1368 HydrophobicContact CG2-CB 4.11Å |
| 1186 | A | 75.1 | Confident | 78.3 | Confident | 12.2 Ų | 12.2 | 23.4 Ų | 23.4 | 10% | 0.101 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | D1188 V1189 A1190 Q1191 H1192 A1368 M1369 | A1186-D1188 VanDerWaalsContact C-N 3.3Å; A1186-D1188 PolarHBondContact O-N 3.27Å; A1186-D1188 VanDerWaalsContact O-N 3.13Å; A1186-V1189 HydrophobicContact CB-CB 4.24Å; A1186-V1189 HydrophobicContact CB-CG2 4.23Å; A1186-V1189 PolarHBondContact O-N 3.44Å; A1186-V1189 VanDerWaalsContact O-N 3.08Å; A1186-A1190 WeakPolarHBondContact O-CB 3.42Å; A1186-A1190 PolarHBondContact O-N 3.15Å; A1186-Q1191 HydrophobicContact CB-CB 3.73Å; A1186-Q1191 VanDerWaalsContact CB-CB 3.46Å; A1186-Q1191 VanDerWaalsContact CB-CD 3.42Å; A1186-Q1191 HydrophobicContact CB-CG 4.21Å; A1186-H1192 PolarHBondContact O-CD2 3.1Å; A1186-H1192 PolarHBondContact O-NE2 3.42Å; A1186-A1368 PolarHBondContact N-O 3.21Å; A1186-A1368 VanDerWaalsContact N-O 3.08Å; A1186-M1369 HydrophobicContact CB-CG 4.34Å |
| 1187 | E | 69.2 | Low | 77 | Confident | 69.6 Ų | 69.6 | 25.9 Ų | 25.9 | 33% | 0.325 | 14% | 0.138 | S | C | . | . | trans | -75.7 | -1 | 168.9 | -87.1 | -166.2 | 172.2 | 0 | 0 | 111.4 | V1185 V1189 A1190 Q1191 V1221 K1223 V1224 R1226 W1348 | V1185-E1187 PolarHBondContact O-N 3.34Å; E1187-V1189 PolarHBondContact O-N 3.05Å; E1187-A1190 PolarHBondContact O-N 3.29Å; E1187-Q1191 HydrophobicContact CG-CG 4.27Å; E1187-Q1191 VanDerWaalsContact CG-NE2 3.31Å; E1187-Q1191 VanDerWaalsContact O-CB 3.25Å; E1187-Q1191 WeakPolarHBondContact O-CB 3.49Å; E1187-Q1191 WeakPolarHBondContact O-CG 3.4Å; E1187-Q1191 PolarHBondContact O-N 3.19Å; E1187-Q1191 PolarHBondContact OE1-NE2 2.83Å; E1187-V1221 HydrophobicContact CB-CG1 3.89Å; E1187-K1223 WeakPolarHBondContact CB-O 3.24Å; E1187-K1223 VanDerWaalsContact CG-O 3.27Å; E1187-K1223 WeakPolarHBondContact CG-O 3.35Å; E1187-K1223 PolarHBondContact OE2-N 2.87Å; E1187-V1224 WeakPolarHBondContact CG-O 3.45Å; E1187-V1224 PolarHBondContact N-O 3.31Å; E1187-R1226 HydrophobicContact CG-CB 4.47Å; E1187-R1226 HydrophobicContact CG-CG 4.13Å; E1187-R1226 VanDerWaalsContact OE1-CD 3.32Å; E1187-R1226 WeakPolarHBondContact OE1-CD 3.27Å; E1187-R1226 IonicContact OE1-CZ 3.87Å; E1187-R1226 IonicContact OE1-NE 3.83Å; E1187-R1226 PolarHBondContact OE1-NE 3.13Å; E1187-R1226 IonicContact OE1-NH1 2.67Å; E1187-R1226 IonicContact OE1-NH2 2.63Å; E1187-R1226 PolarHBondContact OE1-NH2 3.01Å; E1187-R1226 IonicContact OE2-CZ 3.8Å; E1187-R1226 IonicContact OE2-NH1 3.95Å; E1187-R1226 PolarHBondContact OE2-NH1 3.14Å; E1187-R1226 IonicContact OE2-NH2 3.6Å; E1187-R1226 PolarHBondContact OE2-NH2 2.93Å; E1187-W1348 HydrophobicContact CG-CD2 4.4Å; E1187-W1348 HydrophobicContact CG-CE3 4.18Å; E1187-W1348 HydrophobicContact CG-CZ3 4.4Å | ||
| 1188 | D | 68.7 | Low | 75.7 | Confident | 25.4 Ų | 25.4 | 30.8 Ų | 30.8 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | trans | -66.1 | 116.5 | -174.6 | -153.6 | -9.7 | 0 | 0 | 0 | 111.8 | A1186 A1190 Q1191 H1192 V1221 K1222 R1378 | A1186-D1188 VanDerWaalsContact C-N 3.3Å; A1186-D1188 PolarHBondContact O-N 3.27Å; A1186-D1188 VanDerWaalsContact O-N 3.13Å; D1188-A1190 VanDerWaalsContact C-N 3.26Å; D1188-A1190 PolarHBondContact O-N 3.16Å; D1188-A1190 VanDerWaalsContact O-N 3.16Å; D1188-A1190 WeakPolarHBondContact OD1-CA 3.17Å; D1188-A1190 WeakPolarHBondContact OD1-CB 3.32Å; D1188-A1190 PolarHBondContact OD1-N 3.17Å; D1188-A1190 VanDerWaalsContact OD1-N 3.07Å; D1188-A1190 WeakPolarHBondContact OD2-CB 3.28Å; D1188-A1190 PolarHBondContact OD2-N 3.26Å; D1188-Q1191 HydrophobicContact CB-CB 4.21Å; D1188-Q1191 HydrophobicContact CB-CG 4.2Å; D1188-Q1191 VanDerWaalsContact CG-CG 3.41Å; D1188-Q1191 CarbonylContact O-C 3.55Å; D1188-Q1191 WeakPolarHBondContact O-CA 3.04Å; D1188-Q1191 WeakPolarHBondContact O-CB 3.4Å; D1188-Q1191 PolarHBondContact O-N 2.97Å; D1188-Q1191 VanDerWaalsContact O-N 3.13Å; D1188-Q1191 PolarHBondContact OD1-N 3.22Å; D1188-Q1191 VanDerWaalsContact OD2-CD 3.27Å; D1188-Q1191 WeakPolarHBondContact OD2-CG 3.36Å; D1188-Q1191 PolarHBondContact OD2-NE2 3.3Å; D1188-H1192 WeakPolarHBondContact O-CB 3.37Å; D1188-H1192 PolarHBondContact O-CD2 3.02Å; D1188-H1192 VanDerWaalsContact O-CD2 3.29Å; D1188-H1192 PolarHBondContact O-N 3.18Å; D1188-H1192 PolarHBondContact O-ND1 3.45Å; D1188-V1221 HydrophobicContact CB-CG2 4.26Å; D1188-V1221 WeakPolarHBondContact OD2-CA 3.18Å; D1188-K1222 PolarHBondContact OD2-N 3.09Å; D1188-R1378 IonicContact OD1-CZ 3.47Å; D1188-R1378 IonicContact OD1-NH1 3.31Å; D1188-R1378 PolarHBondContact OD1-NH1 2.97Å; D1188-R1378 IonicContact OD2-CZ 3.15Å; D1188-R1378 IonicContact OD2-NE 3.94Å; D1188-R1378 IonicContact OD2-NH1 3.71Å; D1188-R1378 PolarHBondContact OD2-NH1 2.97Å; D1188-R1378 IonicContact OD2-NH2 2.58Å; D1188-R1378 PolarHBondContact OD2-NH2 3.21Å | ||
| 1189 | V | 65.3 | Low | 74 | Confident | 52.8 Ų | 52.8 | 33.9 Ų | 33.9 | 32% | 0.32 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -36.5 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | A1186 E1187 Q1191 H1192 F1193 A1219 V1221 P1370 | A1186-V1189 HydrophobicContact CB-CB 4.24Å; A1186-V1189 HydrophobicContact CB-CG2 4.23Å; A1186-V1189 PolarHBondContact O-N 3.44Å; A1186-V1189 VanDerWaalsContact O-N 3.08Å; E1187-V1189 PolarHBondContact O-N 3.05Å; V1189-Q1191 PolarHBondContact O-N 3.19Å; V1189-H1192 PolarHBondContact O-N 3.25Å; V1189-F1193 HydrophobicContact CG1-CD2 3.75Å; V1189-F1193 HydrophobicContact CG1-CE2 3.55Å; V1189-F1193 WeakPolarHBondContact O-CB 3.18Å; V1189-F1193 WeakPolarHBondContact O-CD2 3.47Å; V1189-F1193 PolarHBondContact O-N 3.15Å; V1189-A1219 HydrophobicContact CB-CB 3.98Å; V1189-A1219 HydrophobicContact CG1-CB 4.31Å; V1189-A1219 HydrophobicContact CG2-CB 3.62Å; V1189-A1219 VanDerWaalsContact CG2-CB 3.44Å; V1189-V1221 HydrophobicContact CG2-CG2 3.69Å; V1189-P1370 HydrophobicContact CG1-CG 3.89Å |
| 1190 | A | 63.3 | Low | 72.1 | Confident | 12.6 Ų | 12.6 | 36.3 Ų | 36.3 | 10% | 0.104 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1185 A1186 E1187 D1188 H1192 F1193 V1194 T1216 W1348 L1372 | V1185-A1190 HydrophobicContact CG1-CB 4.09Å; A1186-A1190 WeakPolarHBondContact O-CB 3.42Å; A1186-A1190 PolarHBondContact O-N 3.15Å; E1187-A1190 PolarHBondContact O-N 3.29Å; D1188-A1190 VanDerWaalsContact C-N 3.26Å; D1188-A1190 PolarHBondContact O-N 3.16Å; D1188-A1190 VanDerWaalsContact O-N 3.16Å; D1188-A1190 WeakPolarHBondContact OD1-CA 3.17Å; D1188-A1190 WeakPolarHBondContact OD1-CB 3.32Å; D1188-A1190 PolarHBondContact OD1-N 3.17Å; D1188-A1190 VanDerWaalsContact OD1-N 3.07Å; D1188-A1190 WeakPolarHBondContact OD2-CB 3.28Å; D1188-A1190 PolarHBondContact OD2-N 3.26Å; A1190-H1192 VanDerWaalsContact C-N 3.35Å; A1190-H1192 PolarHBondContact O-N 3.43Å; A1190-F1193 WeakPolarHBondContact O-CB 3.27Å; A1190-F1193 PolarHBondContact O-N 3.22Å; A1190-F1193 VanDerWaalsContact O-N 3.16Å; A1190-V1194 WeakPolarHBondContact O-CB 3.15Å; A1190-V1194 VanDerWaalsContact O-CG2 3.23Å; A1190-V1194 WeakPolarHBondContact O-CG2 3.42Å; A1190-V1194 PolarHBondContact O-N 2.95Å; A1190-V1194 VanDerWaalsContact O-N 3.16Å; A1190-T1216 HydrophobicContact CB-CG2 4.08Å; A1190-W1348 HydrophobicContact CB-CH2 4.05Å; A1190-W1348 HydrophobicContact CB-CZ2 3.74Å; A1190-L1372 HydrophobicContact CB-CD1 4.24Å; A1190-L1372 HydrophobicContact CB-CD2 3.73Å |
| 1191 | Q | 69.3 | Low | 70 | Confident | 40.8 Ų | 40.8 | 41.2 Ų | 41.2 | 19% | 0.191 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 176.7 | -72 | -179.5 | -35.4 | 0 | 0 | 111.7 | A1186 E1187 D1188 V1189 F1193 V1194 A1195 W1348 P1370 L1372 Q1942 | A1186-Q1191 HydrophobicContact CB-CB 3.73Å; A1186-Q1191 VanDerWaalsContact CB-CB 3.46Å; A1186-Q1191 VanDerWaalsContact CB-CD 3.42Å; A1186-Q1191 HydrophobicContact CB-CG 4.21Å; E1187-Q1191 HydrophobicContact CG-CG 4.27Å; E1187-Q1191 VanDerWaalsContact CG-NE2 3.31Å; E1187-Q1191 VanDerWaalsContact O-CB 3.25Å; E1187-Q1191 WeakPolarHBondContact O-CB 3.49Å; E1187-Q1191 WeakPolarHBondContact O-CG 3.4Å; E1187-Q1191 PolarHBondContact O-N 3.19Å; E1187-Q1191 PolarHBondContact OE1-NE2 2.83Å; D1188-Q1191 HydrophobicContact CB-CB 4.21Å; D1188-Q1191 HydrophobicContact CB-CG 4.2Å; D1188-Q1191 VanDerWaalsContact CG-CG 3.41Å; D1188-Q1191 CarbonylContact O-C 3.55Å; D1188-Q1191 WeakPolarHBondContact O-CA 3.04Å; D1188-Q1191 WeakPolarHBondContact O-CB 3.4Å; D1188-Q1191 PolarHBondContact O-N 2.97Å; D1188-Q1191 VanDerWaalsContact O-N 3.13Å; D1188-Q1191 PolarHBondContact OD1-N 3.22Å; D1188-Q1191 VanDerWaalsContact OD2-CD 3.27Å; D1188-Q1191 WeakPolarHBondContact OD2-CG 3.36Å; D1188-Q1191 PolarHBondContact OD2-NE2 3.3Å; V1189-Q1191 PolarHBondContact O-N 3.19Å; Q1191-F1193 VanDerWaalsContact C-N 3.29Å; Q1191-F1193 PolarHBondContact O-N 2.84Å; Q1191-V1194 WeakPolarHBondContact O-CB 3.44Å; Q1191-V1194 PolarHBondContact O-N 3.01Å; Q1191-V1194 VanDerWaalsContact O-N 3.07Å; Q1191-A1195 WeakPolarHBondContact O-CB 3.14Å; Q1191-A1195 PolarHBondContact O-N 3.13Å; Q1191-W1348 HydrophobicContact CG-CD2 4.09Å; Q1191-W1348 HydrophobicContact CG-CG 3.9Å; Q1191-W1348 HydrophobicContact CG-CZ2 4.39Å; Q1191-P1370 HydrophobicContact CB-CG 3.9Å; Q1191-P1370 HydrophobicContact CG-CG 4.4Å; Q1191-P1370 WeakPolarHBondContact CG-O 3.32Å; Q1191-P1370 PolarHBondContact NE2-O 3.19Å; Q1191-P1370 VanDerWaalsContact O-CG 3.24Å; Q1191-P1370 WeakPolarHBondContact O-CG 3.4Å; Q1191-L1372 HydrophobicContact CG-CD2 3.97Å; Q1191-L1372 HydrophobicContact CG-CG 4.34Å; Q1191-Q1942 PolarHBondContact NE2-O 3.25Å; Q1191-Q1942 PolarHBondContact OE1-O 3.44Å |
| 1192 | H | 65.8 | Low | 67.9 | Low | 63.2 Ų | 63.2 | 47.6 Ų | 47.6 | 29% | 0.293 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -40.3 | 175.1 | -124.3 | 92.6 | 0 | 0 | 0 | 111.8 | A1186 D1188 V1189 A1190 V1194 A1195 L1196 T1216 A1219 W1348 | A1186-H1192 PolarHBondContact O-CD2 3.1Å; A1186-H1192 PolarHBondContact O-NE2 3.42Å; D1188-H1192 WeakPolarHBondContact O-CB 3.37Å; D1188-H1192 PolarHBondContact O-CD2 3.02Å; D1188-H1192 VanDerWaalsContact O-CD2 3.29Å; D1188-H1192 PolarHBondContact O-N 3.18Å; D1188-H1192 PolarHBondContact O-ND1 3.45Å; V1189-H1192 PolarHBondContact O-N 3.25Å; A1190-H1192 VanDerWaalsContact C-N 3.35Å; A1190-H1192 PolarHBondContact O-N 3.43Å; H1192-V1194 PolarHBondContact O-N 2.69Å; H1192-A1195 WeakPolarHBondContact O-CB 3.31Å; H1192-A1195 PolarHBondContact O-N 3.15Å; H1192-A1195 VanDerWaalsContact O-N 3.15Å; H1192-L1196 VanDerWaalsContact CD2-CD1 3.4Å; H1192-L1196 WeakPolarHBondContact CD2-CD1 3.11Å; H1192-L1196 WeakPolarHBondContact ND1-CD1 3.38Å; H1192-L1196 WeakPolarHBondContact O-CB 3.39Å; H1192-L1196 WeakPolarHBondContact O-CD1 3.37Å; H1192-L1196 VanDerWaalsContact O-CG 3.29Å; H1192-L1196 WeakPolarHBondContact O-CG 3.27Å; H1192-L1196 PolarHBondContact O-N 3.24Å; H1192-T1216 HydrophobicContact CB-CG2 4.49Å; H1192-A1219 WeakPolarHBondContact CE1-CB 3.37Å; H1192-W1348 HydrophobicContact CB-CZ2 4.42Å; H1192-W1348 AromaticContact CD2-CD2 3.96Å; H1192-W1348 AromaticContact CD2-CE2 3.38Å; H1192-W1348 AromaticContact CD2-CH2 3.54Å; H1192-W1348 AromaticContact CD2-CZ2 3.2Å; H1192-W1348 WeakPolarHBondContact CD2-CZ2 3.29Å; H1192-W1348 AromaticContact CD2-CZ3 3.99Å; H1192-W1348 AromaticContact CD2-NE1 3.82Å; H1192-W1348 AromaticContact CE1-CD1 3.49Å; H1192-W1348 AromaticContact CE1-CD2 3.64Å; H1192-W1348 AromaticContact CE1-CE2 3.26Å; H1192-W1348 AromaticContact CE1-CE3 3.38Å; H1192-W1348 AromaticContact CE1-CG 3.79Å; H1192-W1348 AromaticContact CE1-CZ2 3.44Å; H1192-W1348 WeakPolarHBondContact CE1-CZ2 3.39Å; H1192-W1348 AromaticContact CE1-CZ3 3.81Å; H1192-W1348 AromaticContact CE1-NE1 2.92Å; H1192-W1348 PolarHBondContact CE1-NE1 3.21Å; H1192-W1348 AromaticContact CG-CD1 3.96Å; H1192-W1348 AromaticContact CG-CD2 3.95Å; H1192-W1348 AromaticContact CG-CE2 3.41Å; H1192-W1348 VanDerWaalsContact CG-CE2 3.41Å; H1192-W1348 AromaticContact CG-CZ2 3.71Å; H1192-W1348 AromaticContact CG-NE1 3.36Å; H1192-W1348 AromaticContact ND1-CD1 3.6Å; H1192-W1348 AromaticContact ND1-CD2 3.56Å; H1192-W1348 AromaticContact ND1-CE2 3.59Å; H1192-W1348 AromaticContact ND1-CG 3.71Å; H1192-W1348 AromaticContact ND1-CZ2 3.74Å; H1192-W1348 AromaticContact ND1-NE1 3.62Å; H1192-W1348 PolarHBondContact ND1-NE1 3.4Å; H1192-W1348 AromaticContact NE2-CD1 3.57Å; H1192-W1348 AromaticContact NE2-CD2 3.56Å; H1192-W1348 AromaticContact NE2-CE2 3.69Å; H1192-W1348 AromaticContact NE2-CE3 3.4Å; H1192-W1348 AromaticContact NE2-CH2 3.34Å; H1192-W1348 VanDerWaalsContact NE2-CH2 3.34Å; H1192-W1348 WeakPolarHBondContact NE2-CH2 3.41Å; H1192-W1348 AromaticContact NE2-CZ2 3.42Å; H1192-W1348 WeakPolarHBondContact NE2-CZ2 3.34Å; H1192-W1348 AromaticContact NE2-CZ3 3.31Å; H1192-W1348 VanDerWaalsContact NE2-CZ3 3.31Å; H1192-W1348 WeakPolarHBondContact NE2-CZ3 3.27Å; H1192-W1348 AromaticContact NE2-NE1 3.13Å; H1192-W1348 PolarHBondContact NE2-NE1 3.34Å; H1192-W1348 VanDerWaalsContact NE2-NE1 3.19Å |
| 1193 | F | 65.1 | Low | 65.8 | Low | 46 Ų | 46 | 49.2 Ų | 49.2 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 175.4 | -163.8 | -91 | 0 | 0 | 0 | 112.3 | V1189 A1190 Q1191 A1195 L1196 M1197 L1211 T1216 V1367 P1370 L1547 T1548 | V1189-F1193 HydrophobicContact CG1-CD2 3.75Å; V1189-F1193 HydrophobicContact CG1-CE2 3.55Å; V1189-F1193 WeakPolarHBondContact O-CB 3.18Å; V1189-F1193 WeakPolarHBondContact O-CD2 3.47Å; V1189-F1193 PolarHBondContact O-N 3.15Å; A1190-F1193 WeakPolarHBondContact O-CB 3.27Å; A1190-F1193 PolarHBondContact O-N 3.22Å; A1190-F1193 VanDerWaalsContact O-N 3.16Å; Q1191-F1193 VanDerWaalsContact C-N 3.29Å; Q1191-F1193 PolarHBondContact O-N 2.84Å; F1193-A1195 VanDerWaalsContact C-N 3.32Å; F1193-A1195 PolarHBondContact O-N 3.1Å; F1193-L1196 WeakPolarHBondContact O-CB 3.4Å; F1193-L1196 PolarHBondContact O-N 3.05Å; F1193-M1197 HydrophobicContact CD1-CG 4.19Å; F1193-M1197 HydrophobicContact CD1-SD 4.01Å; F1193-M1197 HydrophobicContact CE1-CE 3.99Å; F1193-M1197 HydrophobicContact CE1-CG 3.73Å; F1193-M1197 VanDerWaalsContact CE1-CG 3.45Å; F1193-M1197 HydrophobicContact CE1-SD 3.57Å; F1193-M1197 WeakPolarHBondContact CE1-SD 3.43Å; F1193-M1197 HydrophobicContact CE2-CE 3.79Å; F1193-M1197 HydrophobicContact CE2-CG 4.16Å; F1193-M1197 HydrophobicContact CE2-SD 4.46Å; F1193-M1197 HydrophobicContact CZ-CE 3.12Å; F1193-M1197 HydrophobicContact CZ-CG 3.89Å; F1193-M1197 HydrophobicContact CZ-SD 3.89Å; F1193-M1197 VanDerWaalsContact CZ-SD 3.51Å; F1193-M1197 WeakPolarHBondContact O-CB 3.32Å; F1193-M1197 VanDerWaalsContact O-CG 3.32Å; F1193-M1197 WeakPolarHBondContact O-CG 3.39Å; F1193-M1197 PolarHBondContact O-N 3Å; F1193-L1211 HydrophobicContact CD2-CB 4.13Å; F1193-L1211 HydrophobicContact CE2-CB 3.85Å; F1193-T1216 HydrophobicContact CB-CG2 4.38Å; F1193-V1367 HydrophobicContact CD1-CG1 3.99Å; F1193-V1367 HydrophobicContact CE1-CB 4.4Å; F1193-V1367 HydrophobicContact CE1-CG1 3.95Å; F1193-V1367 HydrophobicContact CE1-CG2 4.14Å; F1193-P1370 HydrophobicContact CB-CB 4.12Å; F1193-P1370 HydrophobicContact CB-CG 3.71Å; F1193-P1370 HydrophobicContact CD1-CB 4.15Å; F1193-P1370 HydrophobicContact CD1-CG 4.44Å; F1193-P1370 HydrophobicContact CD2-CB 3.74Å; F1193-P1370 HydrophobicContact CD2-CG 4.26Å; F1193-P1370 HydrophobicContact CE2-CB 4.17Å; F1193-P1370 HydrophobicContact CG-CB 3.73Å; F1193-P1370 HydrophobicContact CG-CG 3.89Å; F1193-L1547 VanDerWaalsContact CE1-C 3.46Å; F1193-L1547 VanDerWaalsContact CE1-O 3.28Å; F1193-L1547 WeakPolarHBondContact CE1-O 3.3Å; F1193-L1547 WeakPolarHBondContact CZ-O 3.48Å; F1193-T1548 HydrophobicContact CD1-CG2 3.93Å; F1193-T1548 HydrophobicContact CD2-CG2 3.89Å; F1193-T1548 HydrophobicContact CE1-CG2 3.73Å; F1193-T1548 HydrophobicContact CE2-CG2 3.68Å; F1193-T1548 HydrophobicContact CG-CG2 3.99Å; F1193-T1548 HydrophobicContact CZ-CG2 3.58Å |
| 1194 | V | 66.2 | Low | 63.5 | Low | 27.2 Ų | 27.2 | 54 Ų | 54 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A1190 Q1191 H1192 L1196 M1197 K1198 F1352 L1355 P1370 L1372 | A1190-V1194 WeakPolarHBondContact O-CB 3.15Å; A1190-V1194 VanDerWaalsContact O-CG2 3.23Å; A1190-V1194 WeakPolarHBondContact O-CG2 3.42Å; A1190-V1194 PolarHBondContact O-N 2.95Å; A1190-V1194 VanDerWaalsContact O-N 3.16Å; Q1191-V1194 WeakPolarHBondContact O-CB 3.44Å; Q1191-V1194 PolarHBondContact O-N 3.01Å; Q1191-V1194 VanDerWaalsContact O-N 3.07Å; H1192-V1194 PolarHBondContact O-N 2.69Å; V1194-L1196 VanDerWaalsContact C-N 3.34Å; V1194-L1196 PolarHBondContact O-N 2.87Å; V1194-M1197 PolarHBondContact O-N 3.03Å; V1194-K1198 WeakPolarHBondContact O-CB 3.19Å; V1194-K1198 PolarHBondContact O-N 3.37Å; V1194-F1352 HydrophobicContact CG2-CD2 3.89Å; V1194-F1352 HydrophobicContact CG2-CE2 4.48Å; V1194-L1355 HydrophobicContact CB-CD2 4.39Å; V1194-L1355 HydrophobicContact CG1-CD2 4.15Å; V1194-L1355 HydrophobicContact CG2-CD2 3.88Å; V1194-P1370 HydrophobicContact CB-CB 4.26Å; V1194-P1370 HydrophobicContact CB-CG 4.18Å; V1194-P1370 HydrophobicContact CG1-CB 3.83Å; V1194-P1370 HydrophobicContact CG1-CG 4.29Å; V1194-L1372 HydrophobicContact CG2-CD2 4.1Å |
| 1195 | A | 65.2 | Low | 61.8 | Low | 25.4 Ų | 25.4 | 58 Ų | 58 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1191 H1192 F1193 M1197 K1198 E1199 L1355 V1367 P1370 | Q1191-A1195 WeakPolarHBondContact O-CB 3.14Å; Q1191-A1195 PolarHBondContact O-N 3.13Å; H1192-A1195 WeakPolarHBondContact O-CB 3.31Å; H1192-A1195 PolarHBondContact O-N 3.15Å; H1192-A1195 VanDerWaalsContact O-N 3.15Å; F1193-A1195 VanDerWaalsContact C-N 3.32Å; F1193-A1195 PolarHBondContact O-N 3.1Å; A1195-M1197 VanDerWaalsContact C-N 3.3Å; A1195-M1197 PolarHBondContact O-N 3.1Å; A1195-K1198 WeakPolarHBondContact O-CB 3.22Å; A1195-K1198 PolarHBondContact O-N 3.16Å; A1195-K1198 VanDerWaalsContact O-N 3.13Å; A1195-E1199 PolarHBondContact O-N 2.98Å; A1195-L1355 HydrophobicContact CB-CD2 4.35Å; A1195-L1355 WeakPolarHBondContact O-CD2 3.44Å; A1195-V1367 HydrophobicContact CB-CG1 3.87Å; A1195-V1367 WeakPolarHBondContact CB-O 3.31Å; A1195-P1370 HydrophobicContact CB-CG 4.28Å |
| 1196 | L | 63.5 | Low | 60.1 | Low | 40.8 Ų | 40.8 | 66.2 Ų | 66.2 | 21% | 0.214 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 177.6 | -73.3 | 170.9 | 0 | 0 | 0 | 113.1 | H1192 F1193 V1194 K1198 E1199 S1200 L1211 R1212 R1351 T1548 | H1192-L1196 VanDerWaalsContact CD2-CD1 3.4Å; H1192-L1196 WeakPolarHBondContact CD2-CD1 3.11Å; H1192-L1196 WeakPolarHBondContact ND1-CD1 3.38Å; H1192-L1196 WeakPolarHBondContact O-CB 3.39Å; H1192-L1196 WeakPolarHBondContact O-CD1 3.37Å; H1192-L1196 VanDerWaalsContact O-CG 3.29Å; H1192-L1196 WeakPolarHBondContact O-CG 3.27Å; H1192-L1196 PolarHBondContact O-N 3.24Å; F1193-L1196 WeakPolarHBondContact O-CB 3.4Å; F1193-L1196 PolarHBondContact O-N 3.05Å; V1194-L1196 VanDerWaalsContact C-N 3.34Å; V1194-L1196 PolarHBondContact O-N 2.87Å; L1196-K1198 VanDerWaalsContact C-N 3.3Å; L1196-K1198 PolarHBondContact O-N 2.89Å; L1196-E1199 VanDerWaalsContact CD2-OE2 3.27Å; L1196-E1199 WeakPolarHBondContact CD2-OE2 3.49Å; L1196-E1199 VanDerWaalsContact O-CB 3.23Å; L1196-E1199 WeakPolarHBondContact O-CB 3.45Å; L1196-E1199 PolarHBondContact O-N 3.05Å; L1196-S1200 PolarHBondContact O-N 2.98Å; L1196-S1200 PolarHBondContact O-OG 2.85Å; L1196-L1211 HydrophobicContact CB-CD1 4.28Å; L1196-L1211 HydrophobicContact CD1-CD1 4.02Å; L1196-L1211 HydrophobicContact CD1-CD2 3.99Å; L1196-R1212 PolarHBondContact O-NH2 2.98Å; L1196-R1351 HydrophobicContact CD2-CG 4.25Å; L1196-T1548 HydrophobicContact CD2-CG2 3.29Å |
| 1197 | M | 61 | Low | 58.7 | Low | 53.6 Ų | 53.6 | 73.3 Ų | 73.3 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 175.4 | -76.3 | -132.7 | 84.9 | 0 | 0 | 112 | F1193 V1194 A1195 E1199 S1200 E1201 R1208 L1316 L1355 | F1193-M1197 HydrophobicContact CD1-CG 4.19Å; F1193-M1197 HydrophobicContact CD1-SD 4.01Å; F1193-M1197 HydrophobicContact CE1-CE 3.99Å; F1193-M1197 HydrophobicContact CE1-CG 3.73Å; F1193-M1197 VanDerWaalsContact CE1-CG 3.45Å; F1193-M1197 HydrophobicContact CE1-SD 3.57Å; F1193-M1197 WeakPolarHBondContact CE1-SD 3.43Å; F1193-M1197 HydrophobicContact CE2-CE 3.79Å; F1193-M1197 HydrophobicContact CE2-CG 4.16Å; F1193-M1197 HydrophobicContact CE2-SD 4.46Å; F1193-M1197 HydrophobicContact CZ-CE 3.12Å; F1193-M1197 HydrophobicContact CZ-CG 3.89Å; F1193-M1197 HydrophobicContact CZ-SD 3.89Å; F1193-M1197 VanDerWaalsContact CZ-SD 3.51Å; F1193-M1197 WeakPolarHBondContact O-CB 3.32Å; F1193-M1197 VanDerWaalsContact O-CG 3.32Å; F1193-M1197 WeakPolarHBondContact O-CG 3.39Å; F1193-M1197 PolarHBondContact O-N 3Å; V1194-M1197 PolarHBondContact O-N 3.03Å; A1195-M1197 VanDerWaalsContact C-N 3.3Å; A1195-M1197 PolarHBondContact O-N 3.1Å; M1197-E1199 VanDerWaalsContact C-N 3.3Å; M1197-E1199 PolarHBondContact O-N 3.19Å; M1197-S1200 WeakPolarHBondContact CA-OG 3.39Å; M1197-S1200 WeakPolarHBondContact O-CB 3.4Å; M1197-S1200 PolarHBondContact O-N 3.09Å; M1197-S1200 PolarHBondContact O-OG 3.07Å; M1197-E1201 PolarHBondContact O-N 3.44Å; M1197-R1208 HydrophobicContact CE-CG 4.39Å; M1197-R1208 HydrophobicContact SD-CG 4.24Å; M1197-R1208 VanDerWaalsContact SD-CZ 3.57Å; M1197-R1208 PolarHBondContact SD-NE 2.9Å; M1197-R1208 PolarHBondContact SD-NH2 3.06Å; M1197-L1316 HydrophobicContact CE-CD2 4.09Å; M1197-L1355 HydrophobicContact SD-CD2 4.02Å |
| 1198 | K | 60.4 | Low | 57.7 | Low | 109.2 Ų | 109.2 | 73.6 Ų | 73.6 | 48% | 0.475 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.4 | -29.9 | 174.7 | -74.2 | -174.4 | 173.8 | -176.9 | 0 | 113.2 | V1194 A1195 L1196 S1200 E1201 Q1202 V1367 | V1194-K1198 WeakPolarHBondContact O-CB 3.19Å; V1194-K1198 PolarHBondContact O-N 3.37Å; A1195-K1198 WeakPolarHBondContact O-CB 3.22Å; A1195-K1198 PolarHBondContact O-N 3.16Å; A1195-K1198 VanDerWaalsContact O-N 3.13Å; L1196-K1198 VanDerWaalsContact C-N 3.3Å; L1196-K1198 PolarHBondContact O-N 2.89Å; K1198-S1200 VanDerWaalsContact C-N 3.3Å; K1198-S1200 PolarHBondContact O-N 3.16Å; K1198-E1201 PolarHBondContact O-N 3.11Å; K1198-Q1202 PolarHBondContact O-N 3Å; K1198-V1367 HydrophobicContact CD-CG2 4.12Å |
| 1199 | E | 55.7 | Low | 56.7 | Low | 77 Ų | 77 | 79.7 Ų | 79.7 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -24.6 | 173.8 | -111.2 | -174 | 165.2 | 0 | 0 | 111.6 | A1195 L1196 M1197 E1201 Q1202 V1203 R1212 R1351 L1355 | A1195-E1199 PolarHBondContact O-N 2.98Å; L1196-E1199 VanDerWaalsContact CD2-OE2 3.27Å; L1196-E1199 WeakPolarHBondContact CD2-OE2 3.49Å; L1196-E1199 VanDerWaalsContact O-CB 3.23Å; L1196-E1199 WeakPolarHBondContact O-CB 3.45Å; L1196-E1199 PolarHBondContact O-N 3.05Å; M1197-E1199 VanDerWaalsContact C-N 3.3Å; M1197-E1199 PolarHBondContact O-N 3.19Å; E1199-E1201 VanDerWaalsContact C-N 3.33Å; E1199-E1201 PolarHBondContact O-N 3.42Å; E1199-Q1202 WeakPolarHBondContact O-CB 2.97Å; E1199-Q1202 PolarHBondContact O-N 2.81Å; E1199-V1203 WeakPolarHBondContact O-CG2 3.33Å; E1199-V1203 PolarHBondContact O-N 3.19Å; E1199-R1212 HydrophobicContact CB-CG 4.42Å; E1199-R1212 VanDerWaalsContact OE2-CB 3.26Å; E1199-R1212 WeakPolarHBondContact OE2-CB 3.49Å; E1199-R1212 VanDerWaalsContact OE2-CD 3.26Å; E1199-R1212 WeakPolarHBondContact OE2-CD 3.28Å; E1199-R1212 WeakPolarHBondContact OE2-CG 2.79Å; E1199-R1212 IonicContact OE2-NE 3.54Å; E1199-R1351 IonicContact OE2-NH2 3.71Å; E1199-R1351 PolarHBondContact OE2-NH2 3.43Å; E1199-L1355 HydrophobicContact CB-CD1 3.65Å; E1199-L1355 HydrophobicContact CB-CD2 3.82Å; E1199-L1355 HydrophobicContact CG-CD1 4.09Å; E1199-L1355 HydrophobicContact CG-CD2 4.03Å; E1199-L1355 WeakPolarHBondContact OE1-CD1 3.32Å |
| 1200 | S | 52.3 | Low | 55.8 | Low | 50.2 Ų | 50.2 | 83.6 Ų | 83.6 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -5.1 | -177 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | L1196 M1197 K1198 Q1202 V1203 R1208 | L1196-S1200 PolarHBondContact O-N 2.98Å; L1196-S1200 PolarHBondContact O-OG 2.85Å; M1197-S1200 WeakPolarHBondContact CA-OG 3.39Å; M1197-S1200 WeakPolarHBondContact O-CB 3.4Å; M1197-S1200 PolarHBondContact O-N 3.09Å; M1197-S1200 PolarHBondContact O-OG 3.07Å; K1198-S1200 VanDerWaalsContact C-N 3.3Å; K1198-S1200 PolarHBondContact O-N 3.16Å; S1200-Q1202 PolarHBondContact O-N 3.15Å; S1200-V1203 PolarHBondContact O-N 3.26Å; S1200-V1203 VanDerWaalsContact O-N 3.11Å; S1200-R1208 PolarHBondContact OG-NE 3.37Å |
| 1201 | E | 50.8 | Low | 55.1 | Low | 123.4 Ų | 123.4 | 86.4 Ų | 86.4 | 58% | 0.577 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -27.6 | 178.8 | -68.3 | -166.5 | 153 | 0 | 0 | 113.2 | M1197 K1198 E1199 V1203 R1208 M1319 | M1197-E1201 PolarHBondContact O-N 3.44Å; K1198-E1201 PolarHBondContact O-N 3.11Å; E1199-E1201 VanDerWaalsContact C-N 3.33Å; E1199-E1201 PolarHBondContact O-N 3.42Å; E1201-V1203 PolarHBondContact O-N 3.22Å; E1201-R1208 IonicContact OE1-NH1 3.35Å; E1201-R1208 PolarHBondContact OE1-NH1 3.11Å; E1201-M1319 WeakPolarHBondContact OE1-CE 3.22Å |
| 1202 | Q | 49.9 | Very low | 54.3 | Low | 136.2 Ų | 136.2 | 87 Ų | 87 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -85.8 | -15.1 | -176.3 | -65.7 | -173.2 | 19.3 | 0 | 0 | 113.6 | K1198 E1199 S1200 N1204 L1316 M1319 R1320 | K1198-Q1202 PolarHBondContact O-N 3Å; E1199-Q1202 WeakPolarHBondContact O-CB 2.97Å; E1199-Q1202 PolarHBondContact O-N 2.81Å; S1200-Q1202 PolarHBondContact O-N 3.15Å; Q1202-N1204 VanDerWaalsContact C-N 3.31Å; Q1202-N1204 PolarHBondContact O-N 3.16Å; Q1202-L1316 HydrophobicContact CB-CD1 3.52Å; Q1202-L1316 HydrophobicContact CB-CD2 3.44Å; Q1202-L1316 VanDerWaalsContact CB-CD2 3.44Å; Q1202-L1316 HydrophobicContact CB-CG 3.83Å; Q1202-L1316 HydrophobicContact CG-CD1 3.58Å; Q1202-L1316 HydrophobicContact CG-CD2 4.13Å; Q1202-L1316 HydrophobicContact CG-CG 3.99Å; Q1202-M1319 HydrophobicContact CG-CE 3.69Å; Q1202-R1320 VanDerWaalsContact CD-NH1 3.33Å; Q1202-R1320 VanDerWaalsContact NE2-NH1 3.12Å |
| 1203 | V | 49.4 | Very low | 53.7 | Low | 54.4 Ų | 54.4 | 91.9 Ų | 91.9 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -91 | 63.8 | -174.3 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | E1199 S1200 E1201 P1205 R1208 H1308 | E1199-V1203 WeakPolarHBondContact O-CG2 3.33Å; E1199-V1203 PolarHBondContact O-N 3.19Å; S1200-V1203 PolarHBondContact O-N 3.26Å; S1200-V1203 VanDerWaalsContact O-N 3.11Å; E1201-V1203 PolarHBondContact O-N 3.22Å; V1203-P1205 WeakPolarHBondContact O-CD 3.29Å; V1203-R1208 HydrophobicContact CG1-CB 4.27Å; V1203-R1208 HydrophobicContact CG1-CG 3.47Å; V1203-R1208 VanDerWaalsContact CG1-CG 3.47Å; V1203-H1308 HydrophobicContact CG2-CB 4.49Å |
| 1204 | N | 44.8 | Very low | 53.1 | Low | 100.8 Ų | 100.8 | 92 Ų | 92 | 54% | 0.539 | 45% | 0.45 | S | S | . | . | trans | 27.3 | 108.2 | 161.8 | -117.2 | -37.4 | 0 | 0 | 0 | 114.2 | Q1202 K1206 R1207 R1208 | Q1202-N1204 VanDerWaalsContact C-N 3.31Å; Q1202-N1204 PolarHBondContact O-N 3.16Å; N1204-K1206 VanDerWaalsContact C-N 3.3Å; N1204-K1206 PolarHBondContact O-N 3.29Å; N1204-R1207 HydrophobicContact CB-CB 4.23Å; N1204-R1207 HydrophobicContact CB-CG 4.36Å; N1204-R1207 CarbonylContact O-C 3.55Å; N1204-R1207 PolarHBondContact O-N 3.11Å; N1204-R1207 VanDerWaalsContact O-N 3.15Å; N1204-R1208 PolarHBondContact O-N 3.39Å | ||
| 1205 | P | 52.3 | Low | 52.8 | Low | 93.2 Ų | 93.2 | 92.1 Ų | 92.1 | 61% | 0.605 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.6 | -23.8 | -176.2 | 23.6 | -33.6 | 0 | 0 | 0 | 113.7 | V1203 R1207 R1208 K1209 | V1203-P1205 WeakPolarHBondContact O-CD 3.29Å; P1205-R1207 VanDerWaalsContact C-N 3.32Å; P1205-R1207 PolarHBondContact O-N 3.1Å; P1205-R1208 WeakPolarHBondContact O-CB 3.23Å; P1205-R1208 PolarHBondContact O-N 3.35Å; P1205-K1209 WeakPolarHBondContact O-CG 3.33Å; P1205-K1209 PolarHBondContact O-N 3.21Å |
| 1206 | K | 48.9 | Very low | 52.7 | Low | 176.4 Ų | 176.4 | 91 Ų | 91 | 77% | 0.767 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.5 | -27.7 | 178.2 | -69.8 | -176.2 | 179.2 | 178.4 | 0 | 113.6 | N1204 | N1204-K1206 VanDerWaalsContact C-N 3.3Å; N1204-K1206 PolarHBondContact O-N 3.29Å |
| 1207 | R | 46.1 | Very low | 52.5 | Low | 160.2 Ų | 160.2 | 91.6 Ų | 91.6 | 61% | 0.605 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -90 | -16.9 | 179.4 | -81 | -173.5 | 178.1 | -174 | -1.3 | 111.7 | N1204 P1205 K1209 L1210 L1211 E1346 | N1204-R1207 HydrophobicContact CB-CB 4.23Å; N1204-R1207 HydrophobicContact CB-CG 4.36Å; N1204-R1207 CarbonylContact O-C 3.55Å; N1204-R1207 PolarHBondContact O-N 3.11Å; N1204-R1207 VanDerWaalsContact O-N 3.15Å; P1205-R1207 VanDerWaalsContact C-N 3.32Å; P1205-R1207 PolarHBondContact O-N 3.1Å; R1207-K1209 VanDerWaalsContact C-N 3.3Å; R1207-K1209 PolarHBondContact O-N 3.25Å; R1207-K1209 VanDerWaalsContact O-N 3.14Å; R1207-L1210 WeakPolarHBondContact O-CB 3.39Å; R1207-L1210 PolarHBondContact O-N 3.1Å; R1207-L1211 PolarHBondContact O-N 3.4Å; R1207-E1346 IonicContact NH1-OE2 3.83Å; R1207-E1346 PolarHBondContact NH1-OE2 3.19Å; R1207-E1346 IonicContact NH2-OE2 3.94Å |
| 1208 | R | 47.3 | Very low | 52.2 | Low | 77.6 Ų | 77.6 | 92.9 Ų | 92.9 | 29% | 0.293 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.6 | -21.7 | 171.5 | -145.8 | 175.6 | -147.7 | 170.5 | -3.9 | 110.6 | M1197 S1200 E1201 V1203 N1204 P1205 L1210 L1211 R1212 E1453 | M1197-R1208 HydrophobicContact CE-CG 4.39Å; M1197-R1208 HydrophobicContact SD-CG 4.24Å; M1197-R1208 VanDerWaalsContact SD-CZ 3.57Å; M1197-R1208 PolarHBondContact SD-NE 2.9Å; M1197-R1208 PolarHBondContact SD-NH2 3.06Å; S1200-R1208 PolarHBondContact OG-NE 3.37Å; E1201-R1208 IonicContact OE1-NH1 3.35Å; E1201-R1208 PolarHBondContact OE1-NH1 3.11Å; V1203-R1208 HydrophobicContact CG1-CB 4.27Å; V1203-R1208 HydrophobicContact CG1-CG 3.47Å; V1203-R1208 VanDerWaalsContact CG1-CG 3.47Å; N1204-R1208 PolarHBondContact O-N 3.39Å; P1205-R1208 WeakPolarHBondContact O-CB 3.23Å; P1205-R1208 PolarHBondContact O-N 3.35Å; R1208-L1210 VanDerWaalsContact C-N 3.3Å; R1208-L1210 PolarHBondContact O-N 3.13Å; R1208-L1211 PolarHBondContact O-N 3.04Å; R1208-R1212 WeakPolarHBondContact O-CG 3.38Å; R1208-R1212 PolarHBondContact O-N 3.13Å; R1208-E1453 IonicContact CZ-OE1 3.71Å; R1208-E1453 IonicContact CZ-OE2 3.27Å; R1208-E1453 IonicContact NE-OE2 3.65Å; R1208-E1453 IonicContact NH1-OE1 3.69Å; R1208-E1453 PolarHBondContact NH1-OE1 2.84Å; R1208-E1453 VanDerWaalsContact NH1-OE1 3.1Å; R1208-E1453 IonicContact NH1-OE2 3.75Å; R1208-E1453 PolarHBondContact NH1-OE2 2.9Å; R1208-E1453 IonicContact NH2-OE2 3.35Å; R1208-E1453 PolarHBondContact NH2-OE2 3.33Å |
| 1209 | K | 48.9 | Very low | 51.8 | Low | 153.4 Ų | 153.4 | 89 Ų | 89 | 67% | 0.667 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.9 | -18.2 | 175 | -68.5 | -174.9 | -179.9 | -173.6 | 0 | 112.9 | P1205 R1207 L1211 | P1205-K1209 WeakPolarHBondContact O-CG 3.33Å; P1205-K1209 PolarHBondContact O-N 3.21Å; R1207-K1209 VanDerWaalsContact C-N 3.3Å; R1207-K1209 PolarHBondContact O-N 3.25Å; R1207-K1209 VanDerWaalsContact O-N 3.14Å; K1209-L1211 PolarHBondContact O-N 2.63Å |
| 1210 | L | 45.8 | Very low | 51.7 | Low | 134.4 Ų | 134.4 | 92.5 Ų | 92.5 | 70% | 0.704 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.7 | -33.2 | -174.2 | -101.7 | 125.5 | 0 | 0 | 0 | 112.8 | R1207 R1208 R1212 K1213 Y1451 | R1207-L1210 WeakPolarHBondContact O-CB 3.39Å; R1207-L1210 PolarHBondContact O-N 3.1Å; R1208-L1210 VanDerWaalsContact C-N 3.3Å; R1208-L1210 PolarHBondContact O-N 3.13Å; L1210-R1212 VanDerWaalsContact C-N 3.29Å; L1210-R1212 PolarHBondContact O-N 3Å; L1210-K1213 PolarHBondContact O-N 3.29Å; L1210-K1213 VanDerWaalsContact O-N 3.09Å; L1210-Y1451 HydrophobicContact CD2-CD2 4.18Å; L1210-Y1451 HydrophobicContact CD2-CE2 3.5Å |
| 1211 | L | 47.4 | Very low | 51.7 | Low | 71.2 Ų | 71.2 | 92.5 Ų | 92.5 | 37% | 0.373 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -85 | -17.4 | -175.8 | -65.9 | 169.8 | 0 | 0 | 0 | 112.4 | F1193 L1196 R1207 R1208 K1209 K1213 A1214 | F1193-L1211 HydrophobicContact CD2-CB 4.13Å; F1193-L1211 HydrophobicContact CE2-CB 3.85Å; L1196-L1211 HydrophobicContact CB-CD1 4.28Å; L1196-L1211 HydrophobicContact CD1-CD1 4.02Å; L1196-L1211 HydrophobicContact CD1-CD2 3.99Å; R1207-L1211 PolarHBondContact O-N 3.4Å; R1208-L1211 PolarHBondContact O-N 3.04Å; K1209-L1211 PolarHBondContact O-N 2.63Å; L1211-K1213 PolarHBondContact O-N 3.2Å; L1211-A1214 PolarHBondContact O-N 3.4Å; L1211-A1214 VanDerWaalsContact O-N 3.07Å |
| 1212 | R | 53.4 | Low | 51.9 | Low | 53.4 Ų | 53.4 | 95 Ų | 95 | 20% | 0.202 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -2 | 173.8 | -77.5 | -173.8 | -174.4 | 164.5 | 1.5 | 113.4 | L1196 E1199 R1208 L1210 E1453 H1543 L1547 T1548 S1549 | L1196-R1212 PolarHBondContact O-NH2 2.98Å; E1199-R1212 HydrophobicContact CB-CG 4.42Å; E1199-R1212 VanDerWaalsContact OE2-CB 3.26Å; E1199-R1212 WeakPolarHBondContact OE2-CB 3.49Å; E1199-R1212 VanDerWaalsContact OE2-CD 3.26Å; E1199-R1212 WeakPolarHBondContact OE2-CD 3.28Å; E1199-R1212 WeakPolarHBondContact OE2-CG 2.79Å; E1199-R1212 IonicContact OE2-NE 3.54Å; R1208-R1212 WeakPolarHBondContact O-CG 3.38Å; R1208-R1212 PolarHBondContact O-N 3.13Å; L1210-R1212 VanDerWaalsContact C-N 3.29Å; L1210-R1212 PolarHBondContact O-N 3Å; R1212-E1453 IonicContact CZ-OE1 2.95Å; R1212-E1453 IonicContact CZ-OE2 3.73Å; R1212-E1453 IonicContact NH1-OE1 3.52Å; R1212-E1453 PolarHBondContact NH1-OE1 3.3Å; R1212-E1453 VanDerWaalsContact NH2-CD 3.27Å; R1212-E1453 IonicContact NH2-OE1 3.3Å; R1212-E1453 PolarHBondContact NH2-OE1 3.17Å; R1212-E1453 IonicContact NH2-OE2 3.28Å; R1212-E1453 PolarHBondContact NH2-OE2 2.87Å; R1212-E1453 VanDerWaalsContact NH2-OE2 3.14Å; R1212-H1543 PolarHBondContact NH1-CE1 3.1Å; R1212-L1547 PolarHBondContact NH1-O 3.08Å; R1212-T1548 HydrophobicContact CB-CG2 3.83Å; R1212-S1549 WeakPolarHBondContact O-CB 3.39Å; R1212-S1549 PolarHBondContact O-N 3.22Å; R1212-S1549 VanDerWaalsContact O-N 3.15Å; R1212-S1549 PolarHBondContact O-OG 2.97Å |
| 1213 | K | 52.3 | Low | 52.2 | Low | 165.6 Ų | 165.6 | 94.1 Ų | 94.1 | 72% | 0.72 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -9.7 | -172.7 | -64.9 | -172.1 | 178.8 | -174.8 | 0 | 115.2 | L1210 L1211 | L1210-K1213 PolarHBondContact O-N 3.29Å; L1210-K1213 VanDerWaalsContact O-N 3.09Å; L1211-K1213 PolarHBondContact O-N 3.2Å |
| 1214 | A | 53.9 | Low | 53.1 | Low | 48.4 Ų | 48.4 | 94.9 Ų | 94.9 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | trans | -88.8 | 132 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1211 T1548 | L1211-A1214 PolarHBondContact O-N 3.4Å; L1211-A1214 VanDerWaalsContact O-N 3.07Å; A1214-T1548 WeakPolarHBondContact O-CB 3.34Å; A1214-T1548 WeakPolarHBondContact O-CG2 3.28Å; A1214-T1548 PolarHBondContact O-OG1 3.07Å; A1214-T1548 VanDerWaalsContact O-OG1 3.1Å | ||
| 1215 | S | 59.3 | Low | 54.8 | Low | 30 Ų | 30 | 91 Ų | 91 | 21% | 0.21 | 46% | 0.455 | C | S | . | . | trans | -78.3 | 132.6 | 170.7 | 147.7 | 0 | 0 | 0 | 0 | 109.8 | I1217 A1218 D1551 H1554 | S1215-I1217 VanDerWaalsContact C-N 3.28Å; S1215-I1217 PolarHBondContact O-N 2.91Å; S1215-I1217 WeakPolarHBondContact OG-CB 3.49Å; S1215-I1217 PolarHBondContact OG-N 3.17Å; S1215-I1217 VanDerWaalsContact OG-N 3.09Å; S1215-A1218 WeakPolarHBondContact OG-CB 3.46Å; S1215-A1218 PolarHBondContact OG-N 2.89Å; S1215-A1218 VanDerWaalsContact OG-N 3.14Å; S1215-D1551 WeakPolarHBondContact CA-OD1 3.29Å; S1215-D1551 WeakPolarHBondContact CB-OD1 3.45Å; S1215-D1551 PolarHBondContact OG-OD1 3.05Å; S1215-H1554 PolarHBondContact OG-NE2 2.85Å | ||
| 1216 | T | 63.9 | Low | 56.4 | Low | 2.2 Ų | 2.2 | 90.1 Ų | 90.1 | 1% | 0.013 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -81.6 | -17.8 | 174.7 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | A1190 H1192 F1193 A1218 A1219 L1372 H1376 R1378 T1548 D1551 | A1190-T1216 HydrophobicContact CB-CG2 4.08Å; H1192-T1216 HydrophobicContact CB-CG2 4.49Å; F1193-T1216 HydrophobicContact CB-CG2 4.38Å; T1216-A1218 VanDerWaalsContact C-N 3.32Å; T1216-A1219 WeakPolarHBondContact O-CB 3.45Å; T1216-A1219 PolarHBondContact O-N 2.96Å; T1216-L1372 HydrophobicContact CG2-CD2 4.09Å; T1216-H1376 VanDerWaalsContact CB-NE2 3.34Å; T1216-H1376 WeakPolarHBondContact CB-NE2 3.24Å; T1216-H1376 PolarHBondContact OG1-CE1 3.05Å; T1216-H1376 VanDerWaalsContact OG1-CE1 3.24Å; T1216-H1376 PolarHBondContact OG1-NE2 3.09Å; T1216-R1378 PolarHBondContact O-NH1 2.9Å; T1216-T1548 HydrophobicContact CG2-CG2 4.03Å; T1216-D1551 VanDerWaalsContact CG2-OD2 3.25Å; T1216-D1551 WeakPolarHBondContact CG2-OD2 3.28Å; T1216-D1551 PolarHBondContact N-OD1 3Å; T1216-D1551 VanDerWaalsContact N-OD1 3.11Å; T1216-D1551 PolarHBondContact N-OD2 3.18Å; T1216-D1551 PolarHBondContact OG1-OD1 3.05Å; T1216-D1551 PolarHBondContact OG1-OD2 3.05Å; T1216-D1551 VanDerWaalsContact OG1-OD2 3.13Å |
| 1217 | I | 59.4 | Low | 58.4 | Low | 53.8 Ų | 53.8 | 82.3 Ų | 82.3 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -76.8 | -37.6 | -178.7 | -59.2 | 173 | 0 | 0 | 0 | 111.9 | S1215 A1219 P1377 R1378 I1381 H1554 | S1215-I1217 VanDerWaalsContact C-N 3.28Å; S1215-I1217 PolarHBondContact O-N 2.91Å; S1215-I1217 WeakPolarHBondContact OG-CB 3.49Å; S1215-I1217 PolarHBondContact OG-N 3.17Å; S1215-I1217 VanDerWaalsContact OG-N 3.09Å; I1217-A1219 VanDerWaalsContact C-N 3.29Å; I1217-A1219 PolarHBondContact O-N 2.94Å; I1217-P1377 HydrophobicContact CD1-CB 3.91Å; I1217-P1377 HydrophobicContact CD1-CG 3.88Å; I1217-P1377 HydrophobicContact CG1-CB 4.37Å; I1217-P1377 HydrophobicContact CG1-CG 4.25Å; I1217-R1378 HydrophobicContact CG1-CB 4.44Å; I1217-I1381 HydrophobicContact CD1-CD1 4.08Å; I1217-H1554 HydrophobicContact CD1-CB 3.64Å; I1217-H1554 WeakPolarHBondContact CD1-CD2 3.36Å; I1217-H1554 VanDerWaalsContact CD1-CG 3.41Å |
| 1218 | A | 53.6 | Low | 60.5 | Low | 79.8 Ų | 79.8 | 75.5 Ų | 75.5 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -84.9 | -5.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1215 T1216 Q1220 | S1215-A1218 WeakPolarHBondContact OG-CB 3.46Å; S1215-A1218 PolarHBondContact OG-N 2.89Å; S1215-A1218 VanDerWaalsContact OG-N 3.14Å; T1216-A1218 VanDerWaalsContact C-N 3.32Å; A1218-Q1220 VanDerWaalsContact C-N 3.33Å; A1218-Q1220 PolarHBondContact O-N 3.32Å |
| 1219 | A | 53.3 | Low | 62.6 | Low | 27.2 Ų | 27.2 | 72.7 Ų | 72.7 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | trans | -73.9 | 116.4 | -178 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1189 H1192 T1216 I1217 V1221 R1378 | V1189-A1219 HydrophobicContact CB-CB 3.98Å; V1189-A1219 HydrophobicContact CG1-CB 4.31Å; V1189-A1219 HydrophobicContact CG2-CB 3.62Å; V1189-A1219 VanDerWaalsContact CG2-CB 3.44Å; H1192-A1219 WeakPolarHBondContact CE1-CB 3.37Å; T1216-A1219 WeakPolarHBondContact O-CB 3.45Å; T1216-A1219 PolarHBondContact O-N 2.96Å; I1217-A1219 VanDerWaalsContact C-N 3.29Å; I1217-A1219 PolarHBondContact O-N 2.94Å; A1219-V1221 PolarHBondContact O-N 3.1Å; A1219-V1221 VanDerWaalsContact O-N 3.15Å; A1219-R1378 PolarHBondContact O-NH1 3.06Å | ||
| 1220 | Q | 52.4 | Low | 64.5 | Low | 150.6 Ų | 150.6 | 65.5 Ų | 65.5 | 70% | 0.704 | 34% | 0.341 | S | S | * | . | trans | -71.6 | 128.2 | 169.4 | -73.4 | -174.7 | -42.2 | 0 | 0 | 109.3 | A1218 K1222 S1875 A1876 | A1218-Q1220 VanDerWaalsContact C-N 3.33Å; A1218-Q1220 PolarHBondContact O-N 3.32Å; Q1220-K1222 PolarHBondContact O-N 3.14Å; Q1220-S1875 PolarHBondContact NE2-O 3.13Å; Q1220-A1876 HydrophobicContact CG-CB 4.16Å | ||
| 1221 | V | 53 | Low | 66.6 | Low | 51.2 Ų | 51.2 | 59.6 Ų | 59.6 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | trans | -97 | 120.3 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | E1187 D1188 V1189 A1219 K1223 | E1187-V1221 HydrophobicContact CB-CG1 3.89Å; D1188-V1221 HydrophobicContact CB-CG2 4.26Å; D1188-V1221 WeakPolarHBondContact OD2-CA 3.18Å; V1189-V1221 HydrophobicContact CG2-CG2 3.69Å; A1219-V1221 PolarHBondContact O-N 3.1Å; A1219-V1221 VanDerWaalsContact O-N 3.15Å; V1221-K1223 VanDerWaalsContact CG1-C 3.47Å; V1221-K1223 HydrophobicContact CG1-CG 3.81Å; V1221-K1223 WeakPolarHBondContact CG1-O 3.39Å; V1221-K1223 PolarHBondContact O-N 3.05Å | ||
| 1222 | K | 53.9 | Low | 68.7 | Low | 175 Ų | 175 | 56.4 Ų | 56.4 | 76% | 0.761 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -77.6 | -9.6 | 172.4 | -71.8 | -174.1 | 176.5 | -173.8 | 0 | 110.1 | D1188 Q1220 V1224 | D1188-K1222 PolarHBondContact OD2-N 3.09Å; Q1220-K1222 PolarHBondContact O-N 3.14Å; K1222-V1224 PolarHBondContact O-N 3.2Å |
| 1223 | K | 57.8 | Low | 70.4 | Confident | 116.8 Ų | 116.8 | 54.5 Ų | 54.5 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | trans | -105.3 | 93.6 | 175.6 | -74 | -168.7 | 172 | -161.7 | 0 | 110.4 | D1076 E1187 V1221 V1225 | D1076-K1223 IonicContact OD1-NZ 3.68Å; E1187-K1223 WeakPolarHBondContact CB-O 3.24Å; E1187-K1223 VanDerWaalsContact CG-O 3.27Å; E1187-K1223 WeakPolarHBondContact CG-O 3.35Å; E1187-K1223 PolarHBondContact OE2-N 2.87Å; V1221-K1223 VanDerWaalsContact CG1-C 3.47Å; V1221-K1223 HydrophobicContact CG1-CG 3.81Å; V1221-K1223 WeakPolarHBondContact CG1-O 3.39Å; V1221-K1223 PolarHBondContact O-N 3.05Å; K1223-V1225 VanDerWaalsContact C-N 3.29Å; K1223-V1225 PolarHBondContact O-N 3.43Å | ||
| 1224 | V | 67.8 | Low | 72.2 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -83.2 | 3.9 | -176.1 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | E1187 K1222 R1226 Q1942 | E1187-V1224 WeakPolarHBondContact CG-O 3.45Å; E1187-V1224 PolarHBondContact N-O 3.31Å; K1222-V1224 PolarHBondContact O-N 3.2Å; V1224-R1226 HydrophobicContact CG1-CG 4.16Å; V1224-Q1942 HydrophobicContact CB-CB 4.38Å; V1224-Q1942 HydrophobicContact CG1-CB 3.45Å; V1224-Q1942 VanDerWaalsContact CG1-CB 3.45Å; V1224-Q1942 HydrophobicContact CG1-CG 4.34Å; V1224-Q1942 VanDerWaalsContact CG1-OE1 3.24Å |
| 1225 | V | 80.8 | Confident | 73.8 | Confident | 20.4 Ų | 20.4 | 47.6 Ų | 47.6 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.4 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | E1075 P1184 V1185 K1223 M1369 Q1942 | E1075-V1225 HydrophobicContact CB-CB 4.39Å; E1075-V1225 HydrophobicContact CG-CB 4.26Å; E1075-V1225 HydrophobicContact CG-CG1 4.5Å; E1075-V1225 WeakPolarHBondContact OE1-CB 3.39Å; E1075-V1225 WeakPolarHBondContact OE1-CG1 3.36Å; P1184-V1225 HydrophobicContact CB-CG1 3.65Å; V1185-V1225 WeakPolarHBondContact O-CA 3.4Å; K1223-V1225 VanDerWaalsContact C-N 3.29Å; K1223-V1225 PolarHBondContact O-N 3.43Å; V1225-M1369 HydrophobicContact CG1-CE 4.44Å; V1225-M1369 HydrophobicContact CG2-CE 4.38Å; V1225-Q1942 HydrophobicContact CG2-CB 4.1Å; V1225-Q1942 HydrophobicContact CG2-CG 3.77Å |
| 1226 | R | 85.9 | Confident | 74.9 | Confident | 73.8 Ų | 73.8 | 52 Ų | 52 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151 | 172.4 | 6 | -172.8 | -165.6 | 152.8 | 4.6 | 110.3 | D1076 P1184 V1185 E1187 V1224 I1228 W1348 S1349 | D1076-R1226 WeakPolarHBondContact OD2-CA 3.38Å; P1184-R1226 CarbonylContact C-O 3.42Å; P1184-R1226 WeakPolarHBondContact CA-O 3.37Å; V1185-R1226 HydrophobicContact CB-CG 3.99Å; V1185-R1226 PolarHBondContact N-O 3.08Å; V1185-R1226 PolarHBondContact O-N 3.13Å; V1185-R1226 VanDerWaalsContact O-N 3.16Å; E1187-R1226 HydrophobicContact CG-CB 4.47Å; E1187-R1226 HydrophobicContact CG-CG 4.13Å; E1187-R1226 VanDerWaalsContact OE1-CD 3.32Å; E1187-R1226 WeakPolarHBondContact OE1-CD 3.27Å; E1187-R1226 IonicContact OE1-CZ 3.87Å; E1187-R1226 IonicContact OE1-NE 3.83Å; E1187-R1226 PolarHBondContact OE1-NE 3.13Å; E1187-R1226 IonicContact OE1-NH1 2.67Å; E1187-R1226 IonicContact OE1-NH2 2.63Å; E1187-R1226 PolarHBondContact OE1-NH2 3.01Å; E1187-R1226 IonicContact OE2-CZ 3.8Å; E1187-R1226 IonicContact OE2-NH1 3.95Å; E1187-R1226 PolarHBondContact OE2-NH1 3.14Å; E1187-R1226 IonicContact OE2-NH2 3.6Å; E1187-R1226 PolarHBondContact OE2-NH2 2.93Å; V1224-R1226 HydrophobicContact CG1-CG 4.16Å; R1226-I1228 HydrophobicContact CG-CD1 4.34Å; R1226-I1228 HydrophobicContact CG-CG1 4.41Å; R1226-I1228 VanDerWaalsContact NE-CD1 3.34Å; R1226-W1348 VanDerWaalsContact NH2-CE3 3.3Å; R1226-S1349 VanDerWaalsContact CZ-OG 3.23Å; R1226-S1349 PolarHBondContact NH1-OG 3.08Å; R1226-S1349 VanDerWaalsContact NH2-CA 3.35Å; R1226-S1349 PolarHBondContact NH2-OG 3.19Å |
| 1227 | W | 91.1 | Very high | 75.6 | Confident | 11.4 Ų | 11.4 | 53 Ų | 53 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.5 | 177.9 | -72.2 | 71 | 0 | 0 | 0 | 110.8 | V1061 E1075 D1076 I1078 W1161 H1169 L1171 Y1182 A1183 P1184 | V1061-W1227 HydrophobicContact CG1-CZ2 3.87Å; V1061-W1227 HydrophobicContact CG2-CD2 4.26Å; V1061-W1227 HydrophobicContact CG2-CG 4.45Å; E1075-W1227 VanDerWaalsContact CD-NE1 3.31Å; E1075-W1227 PolarHBondContact OE1-NE1 3.07Å; E1075-W1227 PolarHBondContact OE2-NE1 2.81Å; D1076-W1227 HydrophobicContact CB-CB 4.33Å; D1076-W1227 HydrophobicContact CB-CG 4.27Å; D1076-W1227 PolarHBondContact OD2-N 3.15Å; I1078-W1227 HydrophobicContact CD1-CB 4.23Å; I1078-W1227 HydrophobicContact CG1-CB 4.28Å; W1161-W1227 AromaticContact CH2-CH2 3.81Å; W1161-W1227 HydrophobicContact CH2-CH2 3.81Å; W1161-W1227 HydrophobicContact CH2-CZ2 4.33Å; W1161-W1227 HydrophobicContact CH2-CZ3 4.29Å; W1161-W1227 AromaticContact CZ3-CH2 3.53Å; W1161-W1227 HydrophobicContact CZ3-CH2 3.53Å; W1161-W1227 HydrophobicContact CZ3-CZ2 4.43Å; W1161-W1227 AromaticContact CZ3-CZ3 3.92Å; W1161-W1227 HydrophobicContact CZ3-CZ3 3.92Å; H1169-W1227 WeakPolarHBondContact O-CH2 3.24Å; L1171-W1227 HydrophobicContact CB-CE3 4.11Å; L1171-W1227 HydrophobicContact CB-CH2 4.48Å; L1171-W1227 HydrophobicContact CB-CZ3 3.68Å; Y1182-W1227 HydrophobicContact CD1-CB 4.4Å; A1183-W1227 WeakPolarHBondContact O-CA 3.27Å; P1184-W1227 HydrophobicContact CB-CD2 4.32Å; P1184-W1227 HydrophobicContact CB-CH2 4.33Å; P1184-W1227 HydrophobicContact CB-CZ2 4.01Å; P1184-W1227 HydrophobicContact CG-CH2 4.23Å; P1184-W1227 HydrophobicContact CG-CZ2 4.34Å |
| 1228 | I | 89.9 | Confident | 76.4 | Confident | 19.2 Ų | 19.2 | 54.3 Ų | 54.3 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.6 | 177.7 | 29.4 | 177.9 | 0 | 0 | 0 | 111.1 | Y1182 A1183 V1185 R1226 L1230 W1348 F1352 L1353 A1368 | Y1182-I1228 VanDerWaalsContact CA-O 3.28Å; Y1182-I1228 WeakPolarHBondContact CA-O 3.35Å; Y1182-I1228 VanDerWaalsContact CD1-C 3.44Å; A1183-I1228 PolarHBondContact N-O 3.25Å; A1183-I1228 VanDerWaalsContact N-O 3.08Å; A1183-I1228 PolarHBondContact O-N 3.2Å; V1185-I1228 HydrophobicContact CB-CD1 4.31Å; V1185-I1228 HydrophobicContact CB-CG1 4.48Å; V1185-I1228 HydrophobicContact CG1-CD1 4.28Å; V1185-I1228 HydrophobicContact CG2-CB 3.93Å; V1185-I1228 HydrophobicContact CG2-CD1 3.71Å; V1185-I1228 HydrophobicContact CG2-CG1 3.66Å; V1185-I1228 HydrophobicContact CG2-CG2 3.63Å; V1185-I1228 VanDerWaalsContact CG2-CG2 3.5Å; R1226-I1228 HydrophobicContact CG-CD1 4.34Å; R1226-I1228 HydrophobicContact CG-CG1 4.41Å; R1226-I1228 VanDerWaalsContact NE-CD1 3.34Å; I1228-L1230 HydrophobicContact CD1-CD2 3.74Å; I1228-L1230 HydrophobicContact CG1-CD2 3.86Å; I1228-L1230 HydrophobicContact CG1-CG 4.39Å; I1228-L1230 PolarHBondContact O-N 3.07Å; I1228-L1230 VanDerWaalsContact O-N 3.11Å; I1228-W1348 HydrophobicContact CD1-CE3 4.31Å; I1228-W1348 HydrophobicContact CD1-CH2 4.34Å; I1228-W1348 HydrophobicContact CD1-CZ3 3.47Å; I1228-W1348 VanDerWaalsContact CD1-CZ3 3.47Å; I1228-F1352 HydrophobicContact CD1-CD1 3.55Å; I1228-F1352 VanDerWaalsContact CD1-CD1 3.41Å; I1228-F1352 HydrophobicContact CD1-CE1 3.54Å; I1228-F1352 VanDerWaalsContact CD1-CE1 3.48Å; I1228-F1352 HydrophobicContact CD1-CZ 4.47Å; I1228-L1353 HydrophobicContact CD1-CD2 4.31Å; I1228-L1353 HydrophobicContact CG2-CD2 4.14Å; I1228-A1368 HydrophobicContact CD1-CB 4.5Å |
| 1229 | C | 91.4 | Very high | 77.4 | Confident | 17.8 Ų | 17.8 | 53.9 Ų | 53.9 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 105.4 | 172.5 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | L1181 Y1182 R1231 P1275 L1353 | L1181-C1229 CarbonylContact O-C 3.55Å; L1181-C1229 WeakPolarHBondContact O-CA 3.34Å; Y1182-C1229 HydrophobicContact CD1-CB 3.99Å; Y1182-C1229 VanDerWaalsContact CD1-N 3.29Å; Y1182-C1229 HydrophobicContact CE1-CB 3.57Å; Y1182-C1229 HydrophobicContact CE2-CB 4.41Å; Y1182-C1229 HydrophobicContact CG-CB 4.47Å; C1229-R1231 PolarHBondContact SG-O 3.16Å; C1229-P1275 HydrophobicContact CB-CG 4.24Å; C1229-P1275 WeakPolarHBondContact O-CG 3.29Å; C1229-L1353 WeakPolarHBondContact O-CD2 3.23Å |
| 1230 | L | 89.3 | Confident | 78.3 | Confident | 2.2 Ų | 2.2 | 55.8 Ų | 55.8 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -38.2 | 177.5 | -64.5 | -174.1 | 0 | 0 | 0 | 112.3 | L1181 A1183 I1228 F1352 L1353 V1356 L1361 A1364 A1365 | L1181-L1230 PolarHBondContact O-N 3.05Å; A1183-L1230 HydrophobicContact CB-CD1 3.44Å; A1183-L1230 VanDerWaalsContact CB-CD1 3.44Å; A1183-L1230 HydrophobicContact CB-CD2 4.32Å; A1183-L1230 HydrophobicContact CB-CG 3.82Å; I1228-L1230 HydrophobicContact CD1-CD2 3.74Å; I1228-L1230 HydrophobicContact CG1-CD2 3.86Å; I1228-L1230 HydrophobicContact CG1-CG 4.39Å; I1228-L1230 PolarHBondContact O-N 3.07Å; I1228-L1230 VanDerWaalsContact O-N 3.11Å; L1230-F1352 HydrophobicContact CD2-CE1 3.7Å; L1230-F1352 HydrophobicContact CD2-CZ 4.33Å; L1230-L1353 HydrophobicContact CD2-CD2 4.4Å; L1230-V1356 HydrophobicContact CD2-CG2 4.41Å; L1230-L1361 HydrophobicContact CB-CD1 4.32Å; L1230-L1361 HydrophobicContact CD1-CD1 4.31Å; L1230-A1364 HydrophobicContact CD1-CB 4.16Å; L1230-A1365 HydrophobicContact CD1-CB 4.09Å |
| 1231 | R | 89.3 | Confident | 79.4 | Confident | 9.6 Ų | 9.6 | 51.5 Ų | 51.5 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 149.8 | -174.4 | -61.5 | -64.6 | -176.3 | -93.2 | -4.9 | 110.3 | L1181 C1229 M1272 S1273 V1356 T1357 E1359 L1361 | L1181-R1231 HydrophobicContact CB-CB 4.18Å; L1181-R1231 WeakPolarHBondContact CB-O 3.36Å; L1181-R1231 HydrophobicContact CD1-CB 3.93Å; L1181-R1231 HydrophobicContact CD1-CG 4.49Å; L1181-R1231 WeakPolarHBondContact CD1-O 3.43Å; L1181-R1231 HydrophobicContact CG-CB 4.29Å; L1181-R1231 PolarHBondContact N-O 3.08Å; C1229-R1231 PolarHBondContact SG-O 3.16Å; R1231-M1272 HydrophobicContact CB-CB 3.86Å; R1231-M1272 HydrophobicContact CB-SD 4.18Å; R1231-M1272 WeakPolarHBondContact CD-O 3.34Å; R1231-M1272 HydrophobicContact CG-CB 3.91Å; R1231-M1272 HydrophobicContact CG-SD 4.46Å; R1231-S1273 CarbonylContact C-O 3.58Å; R1231-S1273 WeakPolarHBondContact CA-O 3.32Å; R1231-V1356 PolarHBondContact NH1-O 3.08Å; R1231-V1356 PolarHBondContact NH2-O 3.02Å; R1231-T1357 PolarHBondContact NH2-O 3.03Å; R1231-T1357 VanDerWaalsContact NH2-O 3.17Å; R1231-E1359 PolarHBondContact NH2-O 2.97Å; R1231-E1359 VanDerWaalsContact NH2-O 3.08Å; R1231-L1361 HydrophobicContact CB-CD1 4.39Å; R1231-L1361 HydrophobicContact CG-CD1 3.89Å |
| 1232 | C | 90.5 | Very high | 80.6 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.1 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | I1179 F1180 S1273 P1275 I1278 | I1179-C1232 CarbonylContact O-C 3.46Å; I1179-C1232 VanDerWaalsContact O-CA 3.25Å; I1179-C1232 WeakPolarHBondContact O-CA 3.42Å; I1179-C1232 PolarHBondContact O-SG 3.23Å; I1179-C1232 VanDerWaalsContact O-SG 3.37Å; F1180-C1232 HydrophobicContact CD1-CB 4.1Å; F1180-C1232 VanDerWaalsContact CD1-SG 3.51Å; F1180-C1232 WeakPolarHBondContact CD1-SG 3.36Å; F1180-C1232 HydrophobicContact CE1-CB 4.43Å; F1180-C1232 VanDerWaalsContact CE1-SG 3.57Å; F1180-C1232 WeakPolarHBondContact CE1-SG 3.16Å; C1232-S1273 PolarHBondContact N-O 3.03Å; C1232-S1273 CarbonylContact O-C 3.44Å; C1232-S1273 WeakPolarHBondContact O-CB 3.4Å; C1232-S1273 PolarHBondContact O-N 2.82Å; C1232-S1273 VanDerWaalsContact O-O 3.09Å; C1232-S1273 PolarHBondContact O-OG 3.14Å; C1232-P1275 HydrophobicContact CB-CB 4.26Å; C1232-I1278 HydrophobicContact CB-CD1 3.69Å; C1232-I1278 WeakPolarHBondContact O-CD1 3.36Å; C1232-I1278 WeakPolarHBondContact SG-CD1 3.28Å |
| 1233 | V | 89.7 | Confident | 81.9 | Confident | 12.4 Ų | 12.4 | 41.8 Ų | 41.8 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | I1179 L1181 L1235 M1256 Y1267 M1272 | I1179-V1233 HydrophobicContact CB-CB 4.3Å; I1179-V1233 PolarHBondContact N-O 3.23Å; I1179-V1233 PolarHBondContact O-N 3.08Å; L1181-V1233 HydrophobicContact CD1-CG2 4.28Å; V1233-L1235 HydrophobicContact CG1-CD2 4.42Å; V1233-M1256 HydrophobicContact CG2-CE 4.41Å; V1233-Y1267 HydrophobicContact CG1-CD1 3.98Å; V1233-Y1267 HydrophobicContact CG1-CE1 3.43Å; V1233-Y1267 VanDerWaalsContact CG1-CE1 3.42Å; V1233-Y1267 HydrophobicContact CG1-CE2 4.17Å; V1233-Y1267 HydrophobicContact CG1-CG 4.46Å; V1233-Y1267 VanDerWaalsContact CG1-CZ 3.46Å; V1233-M1272 HydrophobicContact CG2-CB 4.29Å; V1233-M1272 HydrophobicContact CG2-CE 4.2Å; V1233-M1272 HydrophobicContact CG2-CG 4.15Å; V1233-M1272 HydrophobicContact CG2-SD 3.7Å; V1233-M1272 WeakPolarHBondContact CG2-SD 3.42Å |
| 1234 | E | 89.5 | Confident | 82.9 | Confident | 67.8 Ų | 67.8 | 37.4 Ų | 37.4 | 32% | 0.317 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.2 | 168.2 | -173.9 | 171.9 | -164.5 | 0 | 0 | 108.5 | L1178 I1278 K1281 | L1178-E1234 HydrophobicContact CD2-CB 3.88Å; L1178-E1234 HydrophobicContact CD2-CG 3.88Å; E1234-I1278 HydrophobicContact CB-CD1 4.26Å; E1234-I1278 HydrophobicContact CB-CG1 4.46Å; E1234-K1281 IonicContact OE2-NZ 3.95Å |
| 1235 | L | 87.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -75.4 | 137.2 | 173.4 | -58 | 172.4 | 0 | 0 | 0 | 108.5 | S1177 I1179 V1233 P1243 P1245 V1258 L1260 Y1267 | S1177-L1235 WeakPolarHBondContact O-CB 3.31Å; S1177-L1235 WeakPolarHBondContact O-CG 3.36Å; S1177-L1235 PolarHBondContact O-N 3.12Å; I1179-L1235 HydrophobicContact CD1-CD1 3.97Å; I1179-L1235 HydrophobicContact CD1-CD2 3.78Å; I1179-L1235 HydrophobicContact CD1-CG 4.05Å; I1179-L1235 HydrophobicContact CG1-CD1 4.17Å; I1179-L1235 HydrophobicContact CG1-CG 4.33Å; V1233-L1235 HydrophobicContact CG1-CD2 4.42Å; L1235-P1243 HydrophobicContact CB-CB 3.81Å; L1235-P1243 HydrophobicContact CB-CG 4.18Å; L1235-P1243 WeakPolarHBondContact CD1-O 3.39Å; L1235-P1243 VanDerWaalsContact O-CG 3.23Å; L1235-P1243 WeakPolarHBondContact O-CG 3.39Å; L1235-P1245 HydrophobicContact CD1-CB 4.06Å; L1235-P1245 HydrophobicContact CD1-CG 4.07Å; L1235-V1258 HydrophobicContact CD1-CG1 4.07Å; L1235-V1258 HydrophobicContact CD2-CB 4.48Å; L1235-V1258 HydrophobicContact CD2-CG1 4.03Å; L1235-V1258 HydrophobicContact CD2-CG2 4.47Å; L1235-L1260 HydrophobicContact CD1-CD2 4.17Å; L1235-Y1267 HydrophobicContact CD2-CE2 3.98Å; L1235-Y1267 WeakPolarHBondContact CD2-OH 3.41Å | ||
| 1236 | E | 82.5 | Confident | 83.8 | Confident | 123 Ų | 123 | 37.8 Ų | 37.8 | 58% | 0.575 | 21% | 0.214 | S | C | * | . | trans | -115.6 | 168.8 | 167.3 | -58.5 | 177.1 | 159.4 | 0 | 0 | 106.7 | P1243 L1260 R1265 K1281 | E1236-P1243 VanDerWaalsContact C-CB 3.47Å; E1236-P1243 WeakPolarHBondContact O-CB 3.33Å; E1236-L1260 WeakPolarHBondContact O-CD1 3.38Å; E1236-R1265 VanDerWaalsContact C-CZ 3.41Å; E1236-R1265 VanDerWaalsContact C-NH2 3.26Å; E1236-R1265 VanDerWaalsContact N-NH1 3.15Å; E1236-R1265 PolarHBondContact O-NE 3.21Å; E1236-R1265 VanDerWaalsContact O-NE 3.16Å; E1236-R1265 PolarHBondContact O-NH1 3.1Å; E1236-R1265 VanDerWaalsContact O-NH1 3.11Å; E1236-R1265 PolarHBondContact O-NH2 3.19Å; E1236-K1281 IonicContact OE1-NZ 3.69Å | ||
| 1237 | S | 79.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 37 Ų | 37 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | trans | -123 | 136.6 | 171.1 | -162.9 | 0 | 0 | 0 | 0 | 109.5 | D1239 G1240 L1241 E1263 | S1237-D1239 VanDerWaalsContact C-N 3.28Å; S1237-D1239 VanDerWaalsContact CB-OD1 3.31Å; S1237-D1239 WeakPolarHBondContact CB-OD1 3.31Å; S1237-D1239 PolarHBondContact O-N 3.13Å; S1237-D1239 PolarHBondContact OG-OD1 3.2Å; S1237-G1240 PolarHBondContact O-N 3.12Å; S1237-G1240 VanDerWaalsContact O-N 3.16Å; S1237-L1241 WeakPolarHBondContact CB-O 3.35Å; S1237-E1263 WeakPolarHBondContact CA-OE1 3.21Å | ||
| 1238 | A | 75.9 | Confident | 83.8 | Confident | 81.4 Ų | 81.4 | 37.2 Ų | 37.2 | 67% | 0.673 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1263 | A1238-E1263 VanDerWaalsContact CB-OE2 3.29Å; A1238-E1263 WeakPolarHBondContact CB-OE2 3.4Å; A1238-E1263 PolarHBondContact N-OE1 3.23Å; A1238-E1263 VanDerWaalsContact N-OE1 3.11Å |
| 1239 | D | 75.5 | Confident | 83.8 | Confident | 70.4 Ų | 70.4 | 38.1 Ų | 38.1 | 38% | 0.376 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.6 | 178.8 | 61.4 | 9.6 | 0 | 0 | 0 | 113.8 | S1237 L1241 T1262 | S1237-D1239 VanDerWaalsContact C-N 3.28Å; S1237-D1239 VanDerWaalsContact CB-OD1 3.31Å; S1237-D1239 WeakPolarHBondContact CB-OD1 3.31Å; S1237-D1239 PolarHBondContact O-N 3.13Å; S1237-D1239 PolarHBondContact OG-OD1 3.2Å; D1239-L1241 VanDerWaalsContact C-N 3.26Å; D1239-L1241 PolarHBondContact O-N 3.23Å; D1239-L1241 VanDerWaalsContact OD1-CB 3.28Å; D1239-L1241 WeakPolarHBondContact OD1-CB 3.36Å; D1239-L1241 WeakPolarHBondContact OD1-CG 3.32Å; D1239-L1241 PolarHBondContact OD1-N 3.16Å; D1239-L1241 VanDerWaalsContact OD2-CD1 3.28Å; D1239-L1241 WeakPolarHBondContact OD2-CD1 3.37Å; D1239-T1262 WeakPolarHBondContact OD2-CB 3.39Å; D1239-T1262 VanDerWaalsContact OD2-CG2 3.24Å; D1239-T1262 WeakPolarHBondContact OD2-CG2 3.38Å; D1239-T1262 PolarHBondContact OD2-OG1 3.16Å |
| 1240 | G | 71.9 | Confident | 83.7 | Confident | 66.8 Ų | 66.8 | 38 Ų | 38 | 69% | 0.689 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 73.8 | 5.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | S1237 | S1237-G1240 PolarHBondContact O-N 3.12Å; S1237-G1240 VanDerWaalsContact O-N 3.16Å |
| 1241 | L | 75.7 | Confident | 83.5 | Confident | 60.8 Ų | 60.8 | 39.3 Ų | 39.3 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -69.5 | 157.9 | 169.2 | -63.7 | -179.5 | 0 | 0 | 0 | 110.6 | I1088 V1138 S1237 D1239 P1243 T1262 | I1088-L1241 HydrophobicContact CD1-CD2 3.85Å; V1138-L1241 HydrophobicContact CG1-CD1 4.43Å; S1237-L1241 WeakPolarHBondContact CB-O 3.35Å; D1239-L1241 VanDerWaalsContact C-N 3.26Å; D1239-L1241 PolarHBondContact O-N 3.23Å; D1239-L1241 VanDerWaalsContact OD1-CB 3.28Å; D1239-L1241 WeakPolarHBondContact OD1-CB 3.36Å; D1239-L1241 WeakPolarHBondContact OD1-CG 3.32Å; D1239-L1241 PolarHBondContact OD1-N 3.16Å; D1239-L1241 VanDerWaalsContact OD2-CD1 3.28Å; D1239-L1241 WeakPolarHBondContact OD2-CD1 3.37Å; L1241-P1243 WeakPolarHBondContact O-CD 3.37Å; L1241-T1262 HydrophobicContact CD1-CG2 4.28Å |
| 1242 | P | 76.5 | Confident | 83.1 | Confident | 19.6 Ų | 19.6 | 44.2 Ų | 44.2 | 13% | 0.127 | 25% | 0.248 | C | C | . | . | trans | -56.1 | 122.1 | 173.8 | -27.2 | 36.6 | 0 | 0 | 0 | 111.1 | Q1086 I1088 C1141 Y1142 V1244 | Q1086-P1242 HydrophobicContact CB-CB 4.19Å; Q1086-P1242 HydrophobicContact CB-CG 4.45Å; Q1086-P1242 VanDerWaalsContact O-CB 3.24Å; Q1086-P1242 WeakPolarHBondContact O-CB 3.39Å; Q1086-P1242 WeakPolarHBondContact O-CG 3.41Å; I1088-P1242 VanDerWaalsContact CD1-CD 3.45Å; I1088-P1242 HydrophobicContact CD1-CG 4.16Å; I1088-P1242 HydrophobicContact CG1-CG 3.69Å; I1088-P1242 VanDerWaalsContact CG1-CG 3.42Å; C1141-P1242 HydrophobicContact CB-CG 4.37Å; Y1142-P1242 HydrophobicContact CD1-CB 4.42Å; Y1142-P1242 HydrophobicContact CD1-CG 4.13Å; Y1142-P1242 HydrophobicContact CE1-CB 4.15Å; Y1142-P1242 HydrophobicContact CE1-CG 3.79Å; P1242-V1244 HydrophobicContact CB-CG2 4.23Å; P1242-V1244 PolarHBondContact O-N 3.05Å | ||
| 1243 | P | 81.2 | Confident | 82.5 | Confident | 2.8 Ų | 2.8 | 48.5 Ų | 48.5 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | trans | -82 | 68.6 | -174.3 | 32.2 | -33.4 | 0 | 0 | 0 | 110.7 | Q1086 L1235 E1236 L1241 P1245 L1260 | Q1086-P1243 VanDerWaalsContact OE1-CD 3.25Å; L1235-P1243 HydrophobicContact CB-CB 3.81Å; L1235-P1243 HydrophobicContact CB-CG 4.18Å; L1235-P1243 WeakPolarHBondContact CD1-O 3.39Å; L1235-P1243 VanDerWaalsContact O-CG 3.23Å; L1235-P1243 WeakPolarHBondContact O-CG 3.39Å; E1236-P1243 VanDerWaalsContact C-CB 3.47Å; E1236-P1243 WeakPolarHBondContact O-CB 3.33Å; L1241-P1243 WeakPolarHBondContact O-CD 3.37Å; P1243-P1245 WeakPolarHBondContact O-CD 3.22Å; P1243-L1260 HydrophobicContact CB-CD1 4.13Å; P1243-L1260 HydrophobicContact CB-CD2 4.44Å | ||
| 1244 | V | 80.7 | Confident | 82.2 | Confident | 25.6 Ų | 25.6 | 48.1 Ų | 48.1 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | trans | -86.5 | 122.6 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | V1156 P1242 R1246 | V1156-V1244 HydrophobicContact CB-CG1 4.28Å; V1156-V1244 HydrophobicContact CG1-CG1 4.08Å; V1156-V1244 HydrophobicContact CG1-CG2 4.4Å; V1156-V1244 HydrophobicContact CG2-CG1 4.43Å; P1242-V1244 HydrophobicContact CB-CG2 4.23Å; P1242-V1244 PolarHBondContact O-N 3.05Å; V1244-R1246 PolarHBondContact O-N 3.16Å; V1244-R1246 VanDerWaalsContact O-N 3.09Å | ||
| 1245 | P | 84.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -69.3 | 108.2 | -179.2 | 27.8 | -33.3 | 0 | 0 | 0 | 110 | R1158 G1176 L1235 P1243 M1247 V1258 G1259 | R1158-P1245 HydrophobicContact CG-CG 4.34Å; R1158-P1245 PolarHBondContact NH2-O 3.18Å; G1176-P1245 WeakPolarHBondContact O-CD 3.36Å; G1176-P1245 WeakPolarHBondContact O-CG 3.24Å; L1235-P1245 HydrophobicContact CD1-CB 4.06Å; L1235-P1245 HydrophobicContact CD1-CG 4.07Å; P1243-P1245 WeakPolarHBondContact O-CD 3.22Å; P1245-M1247 VanDerWaalsContact C-N 3.28Å; P1245-M1247 PolarHBondContact O-N 3.28Å; P1245-V1258 HydrophobicContact CB-CG1 3.78Å; P1245-G1259 CarbonylContact C-O 3.46Å | ||
| 1246 | R | 81.9 | Confident | 82.4 | Confident | 99.6 Ų | 99.6 | 46.1 Ų | 46.1 | 38% | 0.376 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69 | -35.5 | 172.7 | -153.7 | -176.3 | -176.2 | 104.1 | 5.3 | 110.9 | N1131 R1158 V1244 G1259 D1261 | N1131-R1246 PolarHBondContact ND2-NH2 3.17Å; N1131-R1246 PolarHBondContact O-NH2 3.34Å; R1158-R1246 VanDerWaalsContact CZ-C 3.44Å; R1158-R1246 PolarHBondContact NE-O 3.09Å; R1158-R1246 VanDerWaalsContact NE-O 3.07Å; R1158-R1246 PolarHBondContact NH1-O 3.41Å; R1158-R1246 PolarHBondContact NH2-O 3.15Å; V1244-R1246 PolarHBondContact O-N 3.16Å; V1244-R1246 VanDerWaalsContact O-N 3.09Å; R1246-G1259 WeakPolarHBondContact CA-O 3.31Å; R1246-G1259 WeakPolarHBondContact CB-O 3.38Å; R1246-G1259 PolarHBondContact N-O 3.38Å; R1246-D1261 WeakPolarHBondContact CG-OD1 2.86Å; R1246-D1261 IonicContact CZ-OD1 2.88Å; R1246-D1261 IonicContact NE-OD1 3.18Å; R1246-D1261 PolarHBondContact NE-OD1 3.45Å; R1246-D1261 IonicContact NH1-OD1 3.26Å; R1246-D1261 PolarHBondContact NH1-OD1 3.09Å; R1246-D1261 IonicContact NH2-OD1 2.91Å; R1246-D1261 PolarHBondContact NH2-OD1 3.17Å; R1246-D1261 VanDerWaalsContact NH2-OD1 3.08Å; R1246-D1261 IonicContact NH2-OD2 3.3Å |
| 1247 | M | 86.9 | Confident | 82.8 | Confident | 55.6 Ų | 55.6 | 40.5 Ų | 40.5 | 27% | 0.274 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151 | 173.8 | 107.2 | 134.2 | 63.3 | 0 | 0 | 110.7 | V621 R623 V624 P1245 V1257 V1258 G1259 | V621-M1247 HydrophobicContact CB-CE 4.16Å; V621-M1247 HydrophobicContact CG1-CE 3.41Å; V621-M1247 VanDerWaalsContact CG1-CE 3.41Å; V621-M1247 HydrophobicContact CG1-CG 4.43Å; V621-M1247 HydrophobicContact CG1-SD 4.38Å; R623-M1247 VanDerWaalsContact CA-CE 3.44Å; V624-M1247 HydrophobicContact CB-CE 3.69Å; V624-M1247 HydrophobicContact CB-SD 3.92Å; V624-M1247 VanDerWaalsContact CB-SD 3.51Å; V624-M1247 HydrophobicContact CG1-CE 4.14Å; V624-M1247 HydrophobicContact CG2-CE 3.42Å; V624-M1247 HydrophobicContact CG2-CG 4.17Å; V624-M1247 HydrophobicContact CG2-SD 3.28Å; V624-M1247 WeakPolarHBondContact CG2-SD 3.35Å; V624-M1247 VanDerWaalsContact N-CE 3.34Å; P1245-M1247 VanDerWaalsContact C-N 3.28Å; P1245-M1247 PolarHBondContact O-N 3.28Å; M1247-V1257 HydrophobicContact SD-CG1 4.43Å; M1247-V1258 WeakPolarHBondContact O-CA 3.4Å; M1247-G1259 VanDerWaalsContact CG-CA 3.44Å; M1247-G1259 VanDerWaalsContact CG-N 3.26Å; M1247-G1259 PolarHBondContact N-O 3.14Å; M1247-G1259 VanDerWaalsContact N-O 3.12Å; M1247-G1259 PolarHBondContact O-N 2.94Å; M1247-G1259 VanDerWaalsContact SD-CA 3.6Å; M1247-G1259 PolarHBondContact SD-N 3.03Å |
| 1248 | L | 90.2 | Very high | 83.3 | Confident | 17.6 Ų | 17.6 | 39.4 Ų | 39.4 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 125 | 175.1 | -176.1 | 152.9 | 0 | 0 | 0 | 107.1 | R1158 A1160 T1172 I1179 M1256 | R1158-L1248 HydrophobicContact CB-CB 4.11Å; R1158-L1248 HydrophobicContact CG-CB 4.34Å; A1160-L1248 HydrophobicContact CB-CD2 3.33Å; T1172-L1248 HydrophobicContact CG2-CD1 3.94Å; T1172-L1248 HydrophobicContact CG2-CD2 3.79Å; T1172-L1248 HydrophobicContact CG2-CG 4.46Å; T1172-L1248 VanDerWaalsContact OG1-CD2 3.31Å; T1172-L1248 WeakPolarHBondContact OG1-CD2 3.45Å; I1179-L1248 HydrophobicContact CD1-CD1 3.74Å; I1179-L1248 HydrophobicContact CG1-CD1 4.01Å; I1179-L1248 HydrophobicContact CG2-CD1 3.95Å; L1248-M1256 HydrophobicContact CD1-SD 4.47Å; L1248-M1256 HydrophobicContact CG-SD 4.48Å |
| 1249 | S | 90 | Very high | 83.9 | Confident | 37.4 Ų | 37.4 | 35.8 Ų | 35.8 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 150.7 | 176.8 | -167.6 | 0 | 0 | 0 | 0 | 110.8 | C626 V1257 | C626-S1249 PolarHBondContact SG-OG 3.47Å; S1249-V1257 PolarHBondContact N-O 2.94Å; S1249-V1257 PolarHBondContact O-N 3.04Å |
| 1250 | W | 90 | Very high | 84.3 | Confident | 14.8 Ų | 14.8 | 32.7 Ų | 32.7 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 145.8 | 169.9 | -73.2 | 92.7 | 0 | 0 | 0 | 110.8 | C626 L962 I1162 T1172 L1181 G1254 I1255 M1256 M1272 L1361 F1362 | C626-W1250 PolarHBondContact SG-O 3.2Å; L962-W1250 HydrophobicContact CD2-CB 4.17Å; L962-W1250 WeakPolarHBondContact CD2-O 3.28Å; I1162-W1250 HydrophobicContact CB-CB 4.12Å; I1162-W1250 HydrophobicContact CB-CD2 4.01Å; I1162-W1250 HydrophobicContact CB-CG 3.76Å; I1162-W1250 HydrophobicContact CD1-CB 3.85Å; I1162-W1250 HydrophobicContact CD1-CD2 3.6Å; I1162-W1250 VanDerWaalsContact CD1-CD2 3.49Å; I1162-W1250 HydrophobicContact CD1-CE3 3.36Å; I1162-W1250 VanDerWaalsContact CD1-CE3 3.45Å; I1162-W1250 HydrophobicContact CD1-CG 3.83Å; I1162-W1250 HydrophobicContact CD1-CZ3 4.06Å; I1162-W1250 HydrophobicContact CG1-CB 4.31Å; I1162-W1250 HydrophobicContact CG1-CD2 4.39Å; I1162-W1250 HydrophobicContact CG1-CE3 4.49Å; I1162-W1250 HydrophobicContact CG1-CG 4.29Å; I1162-W1250 HydrophobicContact CG2-CD2 4.11Å; I1162-W1250 HydrophobicContact CG2-CG 4.3Å; I1162-W1250 HydrophobicContact CG2-CZ2 4.39Å; T1172-W1250 HydrophobicContact CG2-CZ2 3.64Å; T1172-W1250 PolarHBondContact OG1-NE1 3.11Å; L1181-W1250 HydrophobicContact CD2-CH2 3.98Å; L1181-W1250 HydrophobicContact CD2-CZ2 3.61Å; L1181-W1250 HydrophobicContact CG-CZ2 4.46Å; W1250-G1254 WeakPolarHBondContact CZ3-O 3.36Å; W1250-I1255 CarbonylContact C-O 3.55Å; W1250-I1255 VanDerWaalsContact CE3-C 3.47Å; W1250-M1256 HydrophobicContact CD2-CB 4Å; W1250-M1256 HydrophobicContact CD2-CG 4.27Å; W1250-M1256 HydrophobicContact CE3-CB 3.81Å; W1250-M1256 HydrophobicContact CH2-CB 3.78Å; W1250-M1256 HydrophobicContact CH2-CG 4.37Å; W1250-M1256 HydrophobicContact CH2-SD 4.45Å; W1250-M1256 HydrophobicContact CZ2-CB 3.91Å; W1250-M1256 HydrophobicContact CZ2-CG 4.08Å; W1250-M1256 HydrophobicContact CZ2-SD 3.9Å; W1250-M1256 HydrophobicContact CZ3-CB 3.72Å; W1250-M1272 HydrophobicContact CH2-CE 3.94Å; W1250-L1361 HydrophobicContact CH2-CD2 3.68Å; W1250-L1361 HydrophobicContact CZ2-CD2 4.29Å; W1250-L1361 HydrophobicContact CZ3-CD2 4.42Å; W1250-F1362 HydrophobicContact CZ3-CZ 4.27Å |
| 1251 | V | 86 | Confident | 84.6 | Confident | 31 Ų | 31 | 32 Ų | 32 | 19% | 0.188 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 162 | 170 | -153.4 | 0 | 0 | 0 | 0 | 108.4 | F633 V683 G1254 I1255 V1257 | F633-V1251 HydrophobicContact CB-CG1 4.19Å; F633-V1251 HydrophobicContact CB-CG2 4.34Å; F633-V1251 HydrophobicContact CD1-CB 4.47Å; F633-V1251 HydrophobicContact CD1-CG1 3.8Å; F633-V1251 HydrophobicContact CD1-CG2 3.85Å; F633-V1251 HydrophobicContact CE1-CG1 4.17Å; F633-V1251 HydrophobicContact CE1-CG2 4.23Å; F633-V1251 HydrophobicContact CG-CG1 4.16Å; F633-V1251 HydrophobicContact CG-CG2 4.06Å; V683-V1251 HydrophobicContact CB-CG1 4.44Å; V683-V1251 HydrophobicContact CB-CG2 4.46Å; V683-V1251 HydrophobicContact CG1-CG2 3.88Å; V683-V1251 HydrophobicContact CG2-CB 4Å; V683-V1251 HydrophobicContact CG2-CG1 3.98Å; V683-V1251 HydrophobicContact CG2-CG2 3.75Å; V1251-G1254 PolarHBondContact O-N 3.28Å; V1251-I1255 HydrophobicContact CB-CB 4.41Å; V1251-I1255 HydrophobicContact CG2-CB 3.59Å; V1251-I1255 HydrophobicContact CG2-CG2 3.73Å; V1251-I1255 VanDerWaalsContact CG2-O 3.32Å; V1251-I1255 WeakPolarHBondContact CG2-O 3.48Å; V1251-I1255 PolarHBondContact N-O 2.98Å; V1251-I1255 PolarHBondContact O-N 3.07Å; V1251-V1257 HydrophobicContact CG1-CG2 4.04Å; V1251-V1257 HydrophobicContact CG2-CB 4.49Å; V1251-V1257 HydrophobicContact CG2-CG2 3.86Å |
| 1252 | R | 79.3 | Confident | 84.7 | Confident | 112.4 Ų | 112.4 | 33.2 Ų | 33.2 | 42% | 0.424 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 154.3 | 175.1 | -73.6 | -110.1 | -178.8 | 144.3 | 1.8 | 112.2 | P628 I629 P631 V683 L962 S965 E1165 G1254 | P628-R1252 PolarHBondContact O-NE 3.26Å; P628-R1252 PolarHBondContact O-NH2 3.34Å; I629-R1252 PolarHBondContact O-NE 3.02Å; I629-R1252 PolarHBondContact O-NH2 2.91Å; I629-R1252 VanDerWaalsContact O-NH2 3.09Å; P631-R1252 HydrophobicContact CB-CB 4.11Å; V683-R1252 WeakPolarHBondContact CG1-O 3.48Å; L962-R1252 HydrophobicContact CD1-CG 3.62Å; L962-R1252 VanDerWaalsContact CD1-NE 3.34Å; L962-R1252 HydrophobicContact CD2-CG 4.2Å; L962-R1252 HydrophobicContact CG-CG 4.42Å; S965-R1252 PolarHBondContact OG-NH2 2.83Å; E1165-R1252 WeakPolarHBondContact OE1-CD 3.32Å; E1165-R1252 IonicContact OE1-CZ 3.92Å; E1165-R1252 IonicContact OE1-NE 2.96Å; E1165-R1252 IonicContact OE1-NH1 3.05Å; E1165-R1252 PolarHBondContact OE1-NH1 3.05Å; E1165-R1252 IonicContact OE2-NH1 3.93Å; R1252-G1254 VanDerWaalsContact C-N 3.29Å; R1252-G1254 PolarHBondContact O-N 3.25Å |
| 1253 | H | 79.1 | Confident | 85 | Confident | 96.2 Ų | 96.2 | 34.4 Ų | 34.4 | 45% | 0.445 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 19.4 | -176 | -42.6 | 99.4 | 0 | 0 | 0 | 115 | P631 P685 Q1269 | P631-H1253 WeakPolarHBondContact CB-CE1 3.25Å; P685-H1253 HydrophobicContact CB-CB 3.85Å; H1253-Q1269 PolarHBondContact O-NE2 3.14Å |
| 1254 | G | 83.9 | Confident | 85.3 | Confident | 2.8 Ų | 2.8 | 37.9 Ų | 37.9 | 3% | 0.029 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1250 V1251 R1252 S1268 Q1269 | W1250-G1254 WeakPolarHBondContact CZ3-O 3.36Å; V1251-G1254 PolarHBondContact O-N 3.28Å; R1252-G1254 VanDerWaalsContact C-N 3.29Å; R1252-G1254 PolarHBondContact O-N 3.25Å; G1254-S1268 CarbonylContact O-C 3.45Å; G1254-Q1269 WeakPolarHBondContact O-CB 2.92Å; G1254-Q1269 PolarHBondContact O-N 3.25Å; G1254-Q1269 VanDerWaalsContact O-N 3.1Å |
| 1255 | I | 89 | Confident | 85.6 | Confident | 26.4 Ų | 26.4 | 39.1 Ų | 39.1 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.2 | 175.6 | -62.6 | -172.5 | 0 | 0 | 0 | 108.9 | V683 V686 V695 W1250 V1251 V1257 I1266 Y1267 | V683-I1255 HydrophobicContact CG1-CB 4.14Å; V683-I1255 HydrophobicContact CG1-CD1 3.47Å; V683-I1255 VanDerWaalsContact CG1-CD1 3.47Å; V683-I1255 HydrophobicContact CG1-CG1 3.62Å; V686-I1255 HydrophobicContact CB-CD1 4.47Å; V686-I1255 HydrophobicContact CG2-CD1 4.19Å; V695-I1255 HydrophobicContact CG2-CG2 4.34Å; W1250-I1255 CarbonylContact C-O 3.55Å; W1250-I1255 VanDerWaalsContact CE3-C 3.47Å; V1251-I1255 HydrophobicContact CB-CB 4.41Å; V1251-I1255 HydrophobicContact CG2-CB 3.59Å; V1251-I1255 HydrophobicContact CG2-CG2 3.73Å; V1251-I1255 VanDerWaalsContact CG2-O 3.32Å; V1251-I1255 WeakPolarHBondContact CG2-O 3.48Å; V1251-I1255 PolarHBondContact N-O 2.98Å; V1251-I1255 PolarHBondContact O-N 3.07Å; I1255-V1257 HydrophobicContact CG2-CG2 4.39Å; I1255-I1266 HydrophobicContact CG2-CG2 3.4Å; I1255-I1266 VanDerWaalsContact CG2-CG2 3.44Å; I1255-Y1267 CarbonylContact C-O 3.58Å; I1255-Y1267 WeakPolarHBondContact CA-O 3.33Å |
| 1256 | M | 91.5 | Very high | 85.8 | Confident | 0.6 Ų | 0.6 | 43.3 Ų | 43.3 | 0% | 0.003 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.9 | 176 | -172.9 | 179.3 | 68.3 | 0 | 0 | 109.8 | T1172 I1179 L1181 V1233 L1248 W1250 V1258 I1266 Y1267 M1272 | T1172-M1256 HydrophobicContact CG2-SD 4.08Å; I1179-M1256 HydrophobicContact CD1-CE 3.87Å; I1179-M1256 HydrophobicContact CD1-SD 4.4Å; I1179-M1256 HydrophobicContact CG2-CE 4.24Å; I1179-M1256 HydrophobicContact CG2-SD 4.02Å; L1181-M1256 HydrophobicContact CD2-SD 4.46Å; V1233-M1256 HydrophobicContact CG2-CE 4.41Å; L1248-M1256 HydrophobicContact CD1-SD 4.47Å; L1248-M1256 HydrophobicContact CG-SD 4.48Å; W1250-M1256 HydrophobicContact CD2-CB 4Å; W1250-M1256 HydrophobicContact CD2-CG 4.27Å; W1250-M1256 HydrophobicContact CE3-CB 3.81Å; W1250-M1256 HydrophobicContact CH2-CB 3.78Å; W1250-M1256 HydrophobicContact CH2-CG 4.37Å; W1250-M1256 HydrophobicContact CH2-SD 4.45Å; W1250-M1256 HydrophobicContact CZ2-CB 3.91Å; W1250-M1256 HydrophobicContact CZ2-CG 4.08Å; W1250-M1256 HydrophobicContact CZ2-SD 3.9Å; W1250-M1256 HydrophobicContact CZ3-CB 3.72Å; M1256-V1258 HydrophobicContact CE-CG2 3.86Å; M1256-V1258 HydrophobicContact CG-CG2 4.22Å; M1256-V1258 HydrophobicContact SD-CG2 4.37Å; M1256-I1266 CarbonylContact O-C 3.59Å; M1256-I1266 WeakPolarHBondContact O-CA 3.45Å; M1256-Y1267 HydrophobicContact CE-CD2 3.55Å; M1256-Y1267 VanDerWaalsContact CE-CD2 3.47Å; M1256-Y1267 HydrophobicContact CE-CE2 4.25Å; M1256-Y1267 HydrophobicContact CE-CG 3.93Å; M1256-Y1267 PolarHBondContact N-O 3.04Å; M1256-Y1267 PolarHBondContact O-N 2.9Å; M1256-M1272 HydrophobicContact CB-CE 4.44Å; M1256-M1272 HydrophobicContact CE-CE 4.22Å |
| 1257 | V | 90.8 | Very high | 86.1 | Confident | 5.6 Ų | 5.6 | 40.6 Ų | 40.6 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.8 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | F633 M1247 S1249 V1251 I1255 M1264 R1265 I1266 | F633-V1257 HydrophobicContact CE1-CG2 4.44Å; F633-V1257 HydrophobicContact CE2-CG1 4.35Å; F633-V1257 HydrophobicContact CE2-CG2 4.26Å; F633-V1257 HydrophobicContact CZ-CG2 4.06Å; M1247-V1257 HydrophobicContact SD-CG1 4.43Å; S1249-V1257 PolarHBondContact N-O 2.94Å; S1249-V1257 PolarHBondContact O-N 3.04Å; V1251-V1257 HydrophobicContact CG1-CG2 4.04Å; V1251-V1257 HydrophobicContact CG2-CB 4.49Å; V1251-V1257 HydrophobicContact CG2-CG2 3.86Å; I1255-V1257 HydrophobicContact CG2-CG2 4.39Å; V1257-M1264 HydrophobicContact CB-CE 4.29Å; V1257-M1264 HydrophobicContact CG1-CE 3.14Å; V1257-M1264 HydrophobicContact CG1-CG 3.73Å; V1257-M1264 HydrophobicContact CG1-SD 3.66Å; V1257-M1264 VanDerWaalsContact CG1-SD 3.53Å; V1257-M1264 WeakPolarHBondContact CG1-SD 3.29Å; V1257-M1264 HydrophobicContact CG2-CE 3.87Å; V1257-R1265 WeakPolarHBondContact CA-O 3.41Å; V1257-I1266 HydrophobicContact CG2-CG1 4.42Å |
| 1258 | V | 90.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 114 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | I1179 L1235 P1245 M1247 M1256 L1260 M1264 R1265 Y1267 | I1179-V1258 HydrophobicContact CD1-CG1 4.24Å; I1179-V1258 HydrophobicContact CD1-CG2 3.57Å; L1235-V1258 HydrophobicContact CD1-CG1 4.07Å; L1235-V1258 HydrophobicContact CD2-CB 4.48Å; L1235-V1258 HydrophobicContact CD2-CG1 4.03Å; L1235-V1258 HydrophobicContact CD2-CG2 4.47Å; P1245-V1258 HydrophobicContact CB-CG1 3.78Å; M1247-V1258 WeakPolarHBondContact O-CA 3.4Å; M1256-V1258 HydrophobicContact CE-CG2 3.86Å; M1256-V1258 HydrophobicContact CG-CG2 4.22Å; M1256-V1258 HydrophobicContact SD-CG2 4.37Å; V1258-L1260 HydrophobicContact CG1-CD2 4.09Å; V1258-M1264 CarbonylContact O-C 3.52Å; V1258-M1264 WeakPolarHBondContact O-CA 3.33Å; V1258-R1265 HydrophobicContact CB-CB 4.47Å; V1258-R1265 PolarHBondContact N-O 2.98Å; V1258-R1265 PolarHBondContact O-N 2.98Å; V1258-Y1267 HydrophobicContact CB-CE2 4.44Å; V1258-Y1267 HydrophobicContact CG2-CD2 4.17Å; V1258-Y1267 HydrophobicContact CG2-CE2 4.1Å |
| 1259 | G | 87.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 116.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1245 R1246 M1247 | P1245-G1259 CarbonylContact C-O 3.46Å; R1246-G1259 WeakPolarHBondContact CA-O 3.31Å; R1246-G1259 WeakPolarHBondContact CB-O 3.38Å; R1246-G1259 PolarHBondContact N-O 3.38Å; M1247-G1259 VanDerWaalsContact CG-CA 3.44Å; M1247-G1259 VanDerWaalsContact CG-N 3.26Å; M1247-G1259 PolarHBondContact N-O 3.14Å; M1247-G1259 VanDerWaalsContact N-O 3.12Å; M1247-G1259 PolarHBondContact O-N 2.94Å; M1247-G1259 VanDerWaalsContact SD-CA 3.6Å; M1247-G1259 PolarHBondContact SD-N 3.03Å |
| 1260 | L | 85 | Confident | 85.2 | Confident | 6.6 Ų | 6.6 | 42.2 Ų | 42.2 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | trans | -89.5 | -174.2 | 167.1 | -55.4 | -175 | 0 | 0 | 0 | 109.2 | L1235 E1236 P1243 V1258 T1262 E1263 R1265 | L1235-L1260 HydrophobicContact CD1-CD2 4.17Å; E1236-L1260 WeakPolarHBondContact O-CD1 3.38Å; P1243-L1260 HydrophobicContact CB-CD1 4.13Å; P1243-L1260 HydrophobicContact CB-CD2 4.44Å; V1258-L1260 HydrophobicContact CG1-CD2 4.09Å; L1260-T1262 VanDerWaalsContact C-N 3.34Å; L1260-T1262 PolarHBondContact O-N 3.02Å; L1260-E1263 WeakPolarHBondContact CA-O 3.25Å; L1260-E1263 HydrophobicContact CB-CG 4.05Å; L1260-E1263 WeakPolarHBondContact CB-O 3.25Å; L1260-E1263 HydrophobicContact CD1-CG 3.75Å; L1260-E1263 WeakPolarHBondContact CD1-OE1 3.32Å; L1260-E1263 HydrophobicContact CG-CG 4.23Å; L1260-E1263 PolarHBondContact N-O 3.12Å; L1260-R1265 HydrophobicContact CD1-CG 4.4Å | ||
| 1261 | D | 76.5 | Confident | 84.2 | Confident | 52.4 Ų | 52.4 | 48.1 Ų | 48.1 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -66.4 | -45.1 | 179.3 | -80.1 | -23.4 | 0 | 0 | 0 | 112.2 | M620 Y1142 R1246 | M620-D1261 WeakPolarHBondContact CA-O 3.46Å; M620-D1261 VanDerWaalsContact CB-O 3.31Å; M620-D1261 WeakPolarHBondContact CB-O 3.27Å; M620-D1261 HydrophobicContact CE-CB 3.74Å; M620-D1261 VanDerWaalsContact CE-OD1 3.31Å; M620-D1261 WeakPolarHBondContact CE-OD1 3.35Å; M620-D1261 WeakPolarHBondContact CG-O 3.49Å; M620-D1261 HydrophobicContact SD-CB 4.21Å; Y1142-D1261 PolarHBondContact OH-OD2 3.02Å; R1246-D1261 WeakPolarHBondContact CG-OD1 2.86Å; R1246-D1261 IonicContact CZ-OD1 2.88Å; R1246-D1261 IonicContact NE-OD1 3.18Å; R1246-D1261 PolarHBondContact NE-OD1 3.45Å; R1246-D1261 IonicContact NH1-OD1 3.26Å; R1246-D1261 PolarHBondContact NH1-OD1 3.09Å; R1246-D1261 IonicContact NH2-OD1 2.91Å; R1246-D1261 PolarHBondContact NH2-OD1 3.17Å; R1246-D1261 VanDerWaalsContact NH2-OD1 3.08Å; R1246-D1261 IonicContact NH2-OD2 3.3Å |
| 1262 | T | 77.5 | Confident | 83.6 | Confident | 85.6 Ų | 85.6 | 48.6 Ų | 48.6 | 53% | 0.525 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -111.6 | -13.4 | -174 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | D1239 L1241 L1260 | D1239-T1262 WeakPolarHBondContact OD2-CB 3.39Å; D1239-T1262 VanDerWaalsContact OD2-CG2 3.24Å; D1239-T1262 WeakPolarHBondContact OD2-CG2 3.38Å; D1239-T1262 PolarHBondContact OD2-OG1 3.16Å; L1241-T1262 HydrophobicContact CD1-CG2 4.28Å; L1260-T1262 VanDerWaalsContact C-N 3.34Å; L1260-T1262 PolarHBondContact O-N 3.02Å |
| 1263 | E | 83.5 | Confident | 83.2 | Confident | 43.8 Ų | 43.8 | 46 Ų | 46 | 21% | 0.205 | 24% | 0.237 | C | C | . | . | trans | -141.1 | 161.3 | -175 | 66.8 | 178.4 | -165.2 | 0 | 0 | 113.2 | S1237 A1238 L1260 R1265 | S1237-E1263 WeakPolarHBondContact CA-OE1 3.21Å; A1238-E1263 VanDerWaalsContact CB-OE2 3.29Å; A1238-E1263 WeakPolarHBondContact CB-OE2 3.4Å; A1238-E1263 PolarHBondContact N-OE1 3.23Å; A1238-E1263 VanDerWaalsContact N-OE1 3.11Å; L1260-E1263 WeakPolarHBondContact CA-O 3.25Å; L1260-E1263 HydrophobicContact CB-CG 4.05Å; L1260-E1263 WeakPolarHBondContact CB-O 3.25Å; L1260-E1263 HydrophobicContact CD1-CG 3.75Å; L1260-E1263 WeakPolarHBondContact CD1-OE1 3.32Å; L1260-E1263 HydrophobicContact CG-CG 4.23Å; L1260-E1263 PolarHBondContact N-O 3.12Å; E1263-R1265 IonicContact OE1-CZ 3.21Å; E1263-R1265 VanDerWaalsContact OE1-CZ 3.27Å; E1263-R1265 IonicContact OE1-NE 3.25Å; E1263-R1265 PolarHBondContact OE1-NE 3.13Å; E1263-R1265 IonicContact OE1-NH2 3.21Å; E1263-R1265 PolarHBondContact OE1-NH2 3.16Å; E1263-R1265 VanDerWaalsContact OE1-NH2 3.15Å | ||
| 1264 | M | 87.1 | Confident | 82.5 | Confident | 76.4 Ų | 76.4 | 44.8 Ų | 44.8 | 38% | 0.376 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.7 | 173.9 | -178.2 | 176.1 | 103.9 | 0 | 0 | 108.7 | F633 T635 W681 V1257 V1258 I1266 | F633-M1264 HydrophobicContact CE2-SD 4.41Å; F633-M1264 HydrophobicContact CZ-CE 4.46Å; T635-M1264 HydrophobicContact CG2-SD 3.98Å; W681-M1264 HydrophobicContact CH2-CE 4.32Å; W681-M1264 HydrophobicContact CZ2-CE 4.13Å; V1257-M1264 HydrophobicContact CB-CE 4.29Å; V1257-M1264 HydrophobicContact CG1-CE 3.14Å; V1257-M1264 HydrophobicContact CG1-CG 3.73Å; V1257-M1264 HydrophobicContact CG1-SD 3.66Å; V1257-M1264 VanDerWaalsContact CG1-SD 3.53Å; V1257-M1264 WeakPolarHBondContact CG1-SD 3.29Å; V1257-M1264 HydrophobicContact CG2-CE 3.87Å; V1258-M1264 CarbonylContact O-C 3.52Å; V1258-M1264 WeakPolarHBondContact O-CA 3.33Å; M1264-I1266 HydrophobicContact CE-CD1 4.17Å; M1264-I1266 HydrophobicContact CE-CG1 4.41Å |
| 1265 | R | 87.3 | Confident | 81.4 | Confident | 51.2 Ų | 51.2 | 46.1 Ų | 46.1 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.2 | 177.7 | -66.8 | -166.7 | 173.2 | -155.5 | -5.9 | 110.9 | E1236 V1257 V1258 L1260 E1263 Y1267 | E1236-R1265 VanDerWaalsContact C-CZ 3.41Å; E1236-R1265 VanDerWaalsContact C-NH2 3.26Å; E1236-R1265 VanDerWaalsContact N-NH1 3.15Å; E1236-R1265 PolarHBondContact O-NE 3.21Å; E1236-R1265 VanDerWaalsContact O-NE 3.16Å; E1236-R1265 PolarHBondContact O-NH1 3.1Å; E1236-R1265 VanDerWaalsContact O-NH1 3.11Å; E1236-R1265 PolarHBondContact O-NH2 3.19Å; V1257-R1265 WeakPolarHBondContact CA-O 3.41Å; V1258-R1265 HydrophobicContact CB-CB 4.47Å; V1258-R1265 PolarHBondContact N-O 2.98Å; V1258-R1265 PolarHBondContact O-N 2.98Å; L1260-R1265 HydrophobicContact CD1-CG 4.4Å; E1263-R1265 IonicContact OE1-CZ 3.21Å; E1263-R1265 VanDerWaalsContact OE1-CZ 3.27Å; E1263-R1265 IonicContact OE1-NE 3.25Å; E1263-R1265 PolarHBondContact OE1-NE 3.13Å; E1263-R1265 IonicContact OE1-NH2 3.21Å; E1263-R1265 PolarHBondContact OE1-NH2 3.16Å; E1263-R1265 VanDerWaalsContact OE1-NH2 3.15Å; R1265-Y1267 HydrophobicContact CB-CD2 4.44Å; R1265-Y1267 HydrophobicContact CB-CE2 3.69Å; R1265-Y1267 VanDerWaalsContact CD-OH 3.26Å; R1265-Y1267 WeakPolarHBondContact CD-OH 3.45Å |
| 1266 | I | 88.7 | Confident | 79.8 | Confident | 88.4 Ų | 88.4 | 47.7 Ų | 47.7 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.7 | -177.4 | -57.1 | 168.5 | 0 | 0 | 0 | 107.4 | V695 I1255 M1256 V1257 M1264 | V695-I1266 HydrophobicContact CB-CD1 3.62Å; V695-I1266 HydrophobicContact CB-CG1 4.44Å; V695-I1266 HydrophobicContact CG1-CD1 4.36Å; V695-I1266 HydrophobicContact CG2-CD1 3.69Å; V695-I1266 HydrophobicContact CG2-CG1 4Å; V695-I1266 HydrophobicContact CG2-CG2 3.98Å; I1255-I1266 HydrophobicContact CG2-CG2 3.4Å; I1255-I1266 VanDerWaalsContact CG2-CG2 3.44Å; M1256-I1266 CarbonylContact O-C 3.59Å; M1256-I1266 WeakPolarHBondContact O-CA 3.45Å; V1257-I1266 HydrophobicContact CG2-CG1 4.42Å; M1264-I1266 HydrophobicContact CE-CD1 4.17Å; M1264-I1266 HydrophobicContact CE-CG1 4.41Å |
| 1267 | Y | 88.8 | Confident | 77.9 | Confident | 42.6 Ų | 42.6 | 50.2 Ų | 50.2 | 17% | 0.167 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.3 | 177.8 | -61.6 | -90.8 | 0 | 0 | 0 | 109.9 | V1233 L1235 I1255 M1256 V1258 R1265 M1272 | V1233-Y1267 HydrophobicContact CG1-CD1 3.98Å; V1233-Y1267 HydrophobicContact CG1-CE1 3.43Å; V1233-Y1267 VanDerWaalsContact CG1-CE1 3.42Å; V1233-Y1267 HydrophobicContact CG1-CE2 4.17Å; V1233-Y1267 HydrophobicContact CG1-CG 4.46Å; V1233-Y1267 VanDerWaalsContact CG1-CZ 3.46Å; L1235-Y1267 HydrophobicContact CD2-CE2 3.98Å; L1235-Y1267 WeakPolarHBondContact CD2-OH 3.41Å; I1255-Y1267 CarbonylContact C-O 3.58Å; I1255-Y1267 WeakPolarHBondContact CA-O 3.33Å; M1256-Y1267 HydrophobicContact CE-CD2 3.55Å; M1256-Y1267 VanDerWaalsContact CE-CD2 3.47Å; M1256-Y1267 HydrophobicContact CE-CE2 4.25Å; M1256-Y1267 HydrophobicContact CE-CG 3.93Å; M1256-Y1267 PolarHBondContact N-O 3.04Å; M1256-Y1267 PolarHBondContact O-N 2.9Å; V1258-Y1267 HydrophobicContact CB-CE2 4.44Å; V1258-Y1267 HydrophobicContact CG2-CD2 4.17Å; V1258-Y1267 HydrophobicContact CG2-CE2 4.1Å; R1265-Y1267 HydrophobicContact CB-CD2 4.44Å; R1265-Y1267 HydrophobicContact CB-CE2 3.69Å; R1265-Y1267 VanDerWaalsContact CD-OH 3.26Å; R1265-Y1267 WeakPolarHBondContact CD-OH 3.45Å; Y1267-M1272 HydrophobicContact CD1-CE 4.31Å; Y1267-M1272 HydrophobicContact CD1-SD 4.01Å; Y1267-M1272 HydrophobicContact CG-CE 4.07Å; Y1267-M1272 HydrophobicContact CG-SD 4.26Å |
| 1268 | S | 86.8 | Confident | 76 | Confident | 40.4 Ų | 40.4 | 51.3 Ų | 51.3 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 161.1 | 169.7 | 77.3 | 0 | 0 | 0 | 0 | 110.6 | G1254 W1270 N1271 M1272 | G1254-S1268 CarbonylContact O-C 3.45Å; S1268-W1270 CarbonylContact C-O 3.56Å; S1268-W1270 PolarHBondContact O-N 3.12Å; S1268-W1270 VanDerWaalsContact O-O 3.1Å; S1268-W1270 PolarHBondContact OG-N 3.19Å; S1268-W1270 PolarHBondContact OG-O 2.98Å; S1268-N1271 PolarHBondContact O-N 3.48Å; S1268-N1271 VanDerWaalsContact O-N 3.13Å; S1268-M1272 VanDerWaalsContact O-CE 3.3Å; S1268-M1272 WeakPolarHBondContact O-CE 3.31Å |
| 1269 | Q | 84.5 | Confident | 74 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -59.3 | -13.2 | 171.8 | 61.5 | 171.1 | -50.5 | 0 | 0 | 114.8 | H1253 G1254 L1361 F1362 | H1253-Q1269 PolarHBondContact O-NE2 3.14Å; G1254-Q1269 WeakPolarHBondContact O-CB 2.92Å; G1254-Q1269 PolarHBondContact O-N 3.25Å; G1254-Q1269 VanDerWaalsContact O-N 3.1Å; Q1269-L1361 HydrophobicContact CB-CB 3.98Å; Q1269-L1361 PolarHBondContact O-N 3.03Å; Q1269-L1361 VanDerWaalsContact O-N 3.08Å; Q1269-F1362 HydrophobicContact CB-CD2 4.13Å; Q1269-F1362 HydrophobicContact CB-CE2 3.94Å; Q1269-F1362 HydrophobicContact CG-CE2 4.46Å; Q1269-F1362 VanDerWaalsContact OE1-CD2 3.25Å |
| 1270 | W | 77.2 | Confident | 71.8 | Confident | 75.8 Ų | 75.8 | 58.8 Ų | 58.8 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -96.2 | 139.8 | 178.7 | -48.5 | 103.3 | 0 | 0 | 0 | 111.4 | V686 P688 S1268 M1272 G1360 | V686-W1270 PolarHBondContact O-NE1 3.18Å; P688-W1270 HydrophobicContact CB-CD2 4.12Å; P688-W1270 HydrophobicContact CB-CE3 4.25Å; P688-W1270 HydrophobicContact CB-CH2 4.4Å; P688-W1270 HydrophobicContact CB-CZ2 4.45Å; P688-W1270 HydrophobicContact CB-CZ3 4.26Å; P688-W1270 HydrophobicContact CG-CH2 4.3Å; P688-W1270 HydrophobicContact CG-CZ2 4.28Å; S1268-W1270 CarbonylContact C-O 3.56Å; S1268-W1270 PolarHBondContact O-N 3.12Å; S1268-W1270 VanDerWaalsContact O-O 3.1Å; S1268-W1270 PolarHBondContact OG-N 3.19Å; S1268-W1270 PolarHBondContact OG-O 2.98Å; W1270-M1272 VanDerWaalsContact C-N 3.35Å; W1270-M1272 HydrophobicContact CB-SD 4.48Å; W1270-M1272 PolarHBondContact O-N 3Å; W1270-M1272 VanDerWaalsContact O-N 3.16Å; W1270-G1360 VanDerWaalsContact CE3-CA 3.44Å; W1270-G1360 VanDerWaalsContact CH2-CA 3.46Å; W1270-G1360 VanDerWaalsContact CZ3-N 3.32Å |
| 1271 | N | 67.5 | Low | 69.8 | Low | 138.8 Ų | 138.8 | 65.7 Ų | 65.7 | 74% | 0.742 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 41.3 | 48.1 | 177.6 | -129.1 | 8.3 | 0 | 0 | 0 | 114.3 | S1268 S1273 | S1268-N1271 PolarHBondContact O-N 3.48Å; S1268-N1271 VanDerWaalsContact O-N 3.13Å; N1271-S1273 VanDerWaalsContact C-N 3.34Å; N1271-S1273 PolarHBondContact OD1-N 3.41Å; N1271-S1273 VanDerWaalsContact OD1-N 3.1Å; N1271-S1273 PolarHBondContact OD1-O 2.95Å; N1271-S1273 PolarHBondContact OD1-OG 3.23Å |
| 1272 | M | 73.1 | Confident | 67.9 | Low | 42.6 Ų | 42.6 | 66.2 Ų | 66.2 | 21% | 0.21 | 36% | 0.356 | C | S | . | . | trans | -96.3 | 135.6 | 174 | -59 | -100.5 | -161 | 0 | 0 | 111.4 | L1181 R1231 V1233 W1250 M1256 Y1267 S1268 W1270 Q1274 | L1181-M1272 HydrophobicContact CD1-CE 4.24Å; L1181-M1272 HydrophobicContact CD1-CG 4.24Å; L1181-M1272 HydrophobicContact CD1-SD 4Å; L1181-M1272 HydrophobicContact CD2-CE 4.04Å; L1181-M1272 HydrophobicContact CD2-SD 3.56Å; L1181-M1272 VanDerWaalsContact CD2-SD 3.56Å; L1181-M1272 HydrophobicContact CG-SD 4.39Å; R1231-M1272 HydrophobicContact CB-CB 3.86Å; R1231-M1272 HydrophobicContact CB-SD 4.18Å; R1231-M1272 WeakPolarHBondContact CD-O 3.34Å; R1231-M1272 HydrophobicContact CG-CB 3.91Å; R1231-M1272 HydrophobicContact CG-SD 4.46Å; V1233-M1272 HydrophobicContact CG2-CB 4.29Å; V1233-M1272 HydrophobicContact CG2-CE 4.2Å; V1233-M1272 HydrophobicContact CG2-CG 4.15Å; V1233-M1272 HydrophobicContact CG2-SD 3.7Å; V1233-M1272 WeakPolarHBondContact CG2-SD 3.42Å; W1250-M1272 HydrophobicContact CH2-CE 3.94Å; M1256-M1272 HydrophobicContact CB-CE 4.44Å; M1256-M1272 HydrophobicContact CE-CE 4.22Å; Y1267-M1272 HydrophobicContact CD1-CE 4.31Å; Y1267-M1272 HydrophobicContact CD1-SD 4.01Å; Y1267-M1272 HydrophobicContact CG-CE 4.07Å; Y1267-M1272 HydrophobicContact CG-SD 4.26Å; S1268-M1272 VanDerWaalsContact O-CE 3.3Å; S1268-M1272 WeakPolarHBondContact O-CE 3.31Å; W1270-M1272 VanDerWaalsContact C-N 3.35Å; W1270-M1272 HydrophobicContact CB-SD 4.48Å; W1270-M1272 PolarHBondContact O-N 3Å; W1270-M1272 VanDerWaalsContact O-N 3.16Å; M1272-Q1274 PolarHBondContact O-N 3.49Å | ||
| 1273 | S | 71.2 | Confident | 65.9 | Low | 55.8 Ų | 55.8 | 66.7 Ų | 66.7 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 149.9 | 179.4 | 16.1 | 0 | 0 | 0 | 0 | 111.7 | R1231 C1232 N1271 | R1231-S1273 CarbonylContact C-O 3.58Å; R1231-S1273 WeakPolarHBondContact CA-O 3.32Å; C1232-S1273 PolarHBondContact N-O 3.03Å; C1232-S1273 CarbonylContact O-C 3.44Å; C1232-S1273 WeakPolarHBondContact O-CB 3.4Å; C1232-S1273 PolarHBondContact O-N 2.82Å; C1232-S1273 VanDerWaalsContact O-O 3.09Å; C1232-S1273 PolarHBondContact O-OG 3.14Å; N1271-S1273 VanDerWaalsContact C-N 3.34Å; N1271-S1273 PolarHBondContact OD1-N 3.41Å; N1271-S1273 VanDerWaalsContact OD1-N 3.1Å; N1271-S1273 PolarHBondContact OD1-O 2.95Å; N1271-S1273 PolarHBondContact OD1-OG 3.23Å |
| 1274 | Q | 65.6 | Low | 63.6 | Low | 72.2 Ų | 72.2 | 69.6 Ų | 69.6 | 34% | 0.337 | 38% | 0.379 | S | S | . | . | trans | -72.5 | 145.8 | 169.2 | -71.6 | -174.5 | 6.1 | 0 | 0 | 110.6 | M1272 N1276 A1277 L1353 T1357 | M1272-Q1274 PolarHBondContact O-N 3.49Å; Q1274-N1276 VanDerWaalsContact C-N 3.28Å; Q1274-N1276 PolarHBondContact O-N 3.15Å; Q1274-A1277 HydrophobicContact CB-CB 4.43Å; Q1274-A1277 WeakPolarHBondContact O-CB 3.19Å; Q1274-A1277 PolarHBondContact O-N 3.07Å; Q1274-A1277 VanDerWaalsContact O-N 3.14Å; Q1274-L1353 PolarHBondContact NE2-O 2.91Å; Q1274-T1357 HydrophobicContact CG-CG2 4.3Å; Q1274-T1357 VanDerWaalsContact NE2-CG2 3.27Å; Q1274-T1357 PolarHBondContact NE2-OG1 3.09Å | ||
| 1275 | P | 59.7 | Low | 60.9 | Low | 29.6 Ų | 29.6 | 74.7 Ų | 74.7 | 19% | 0.192 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.6 | -35.8 | 177.5 | 12.6 | -20 | 0 | 0 | 0 | 113.1 | C1229 C1232 A1277 I1278 A1279 L1286 L1353 | C1229-P1275 HydrophobicContact CB-CG 4.24Å; C1229-P1275 WeakPolarHBondContact O-CG 3.29Å; C1232-P1275 HydrophobicContact CB-CB 4.26Å; P1275-A1277 VanDerWaalsContact C-N 3.3Å; P1275-A1277 PolarHBondContact O-N 3.15Å; P1275-I1278 PolarHBondContact O-N 3.28Å; P1275-I1278 VanDerWaalsContact O-N 3.1Å; P1275-A1279 PolarHBondContact O-N 3.19Å; P1275-L1286 HydrophobicContact CB-CD1 3.72Å; P1275-L1353 HydrophobicContact CG-CD1 4.24Å |
| 1276 | N | 55.9 | Low | 58.3 | Low | 60.6 Ų | 60.6 | 78.4 Ų | 78.4 | 32% | 0.324 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.9 | -25.7 | -178.7 | -69.4 | -9.3 | 0 | 0 | 0 | 113.8 | Q1274 I1278 A1279 N1280 E1350 | Q1274-N1276 VanDerWaalsContact C-N 3.28Å; Q1274-N1276 PolarHBondContact O-N 3.15Å; N1276-I1278 VanDerWaalsContact C-N 3.28Å; N1276-I1278 PolarHBondContact O-N 2.96Å; N1276-A1279 PolarHBondContact O-N 3.23Å; N1276-N1280 VanDerWaalsContact O-CB 3.31Å; N1276-N1280 WeakPolarHBondContact O-CB 3.33Å; N1276-N1280 VanDerWaalsContact O-CG 3.28Å; N1276-N1280 PolarHBondContact O-N 3.12Å; N1276-N1280 VanDerWaalsContact O-N 3.15Å; N1276-N1280 PolarHBondContact O-ND2 2.99Å; N1276-E1350 PolarHBondContact ND2-OE1 3.19Å; N1276-E1350 PolarHBondContact ND2-OE2 3.25Å |
| 1277 | A | 51.4 | Low | 55.3 | Low | 52 Ų | 52 | 82.3 Ų | 82.3 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.3 | -31.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q1274 P1275 A1279 K1281 | Q1274-A1277 HydrophobicContact CB-CB 4.43Å; Q1274-A1277 WeakPolarHBondContact O-CB 3.19Å; Q1274-A1277 PolarHBondContact O-N 3.07Å; Q1274-A1277 VanDerWaalsContact O-N 3.14Å; P1275-A1277 VanDerWaalsContact C-N 3.3Å; P1275-A1277 PolarHBondContact O-N 3.15Å; A1277-A1279 VanDerWaalsContact C-N 3.35Å; A1277-K1281 WeakPolarHBondContact O-CG 3.26Å; A1277-K1281 PolarHBondContact O-N 3.15Å |
| 1278 | I | 51.5 | Low | 52.5 | Low | 29.8 Ų | 29.8 | 85.6 Ų | 85.6 | 15% | 0.153 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -82.9 | -39.1 | 179 | -59.1 | 169.3 | 0 | 0 | 0 | 110.5 | L1178 C1232 E1234 P1275 N1276 N1280 K1281 S1282 L1284 | L1178-I1278 HydrophobicContact CD2-CD1 4.22Å; L1178-I1278 HydrophobicContact CD2-CG2 4.15Å; C1232-I1278 HydrophobicContact CB-CD1 3.69Å; C1232-I1278 WeakPolarHBondContact O-CD1 3.36Å; C1232-I1278 WeakPolarHBondContact SG-CD1 3.28Å; E1234-I1278 HydrophobicContact CB-CD1 4.26Å; E1234-I1278 HydrophobicContact CB-CG1 4.46Å; P1275-I1278 PolarHBondContact O-N 3.28Å; P1275-I1278 VanDerWaalsContact O-N 3.1Å; N1276-I1278 VanDerWaalsContact C-N 3.28Å; N1276-I1278 PolarHBondContact O-N 2.96Å; I1278-N1280 VanDerWaalsContact C-N 3.29Å; I1278-N1280 PolarHBondContact O-N 3.23Å; I1278-K1281 WeakPolarHBondContact O-CA 3.34Å; I1278-K1281 WeakPolarHBondContact O-CB 3.15Å; I1278-K1281 PolarHBondContact O-N 2.96Å; I1278-S1282 WeakPolarHBondContact O-CB 3.15Å; I1278-S1282 PolarHBondContact O-N 3.06Å; I1278-S1282 PolarHBondContact O-OG 3.07Å; I1278-L1284 HydrophobicContact CG2-CD1 4.43Å |
| 1279 | A | 48.2 | Very low | 49.7 | Very low | 38.2 Ų | 38.2 | 88.4 Ų | 88.4 | 32% | 0.316 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | P1275 N1276 A1277 K1281 S1282 S1283 L1284 | P1275-A1279 PolarHBondContact O-N 3.19Å; N1276-A1279 PolarHBondContact O-N 3.23Å; A1277-A1279 VanDerWaalsContact C-N 3.35Å; A1279-K1281 VanDerWaalsContact C-N 3.31Å; A1279-K1281 PolarHBondContact O-N 3.19Å; A1279-S1282 CarbonylContact C-O 3.52Å; A1279-S1282 PolarHBondContact O-N 3.26Å; A1279-S1282 PolarHBondContact O-OG 3.03Å; A1279-S1282 VanDerWaalsContact O-OG 3.05Å; A1279-S1283 PolarHBondContact O-N 3.06Å; A1279-S1283 VanDerWaalsContact O-N 3.12Å; A1279-S1283 PolarHBondContact O-OG 2.85Å; A1279-L1284 HydrophobicContact CB-CB 4.23Å; A1279-L1284 HydrophobicContact CB-CD1 4.47Å |
| 1280 | N | 41.9 | Very low | 47 | Very low | 124.6 Ų | 124.6 | 90.3 Ų | 90.3 | 67% | 0.666 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.9 | -25.2 | 177 | -75.9 | -16.2 | 0 | 0 | 0 | 113.5 | N1276 I1278 S1283 L1284 | N1276-N1280 VanDerWaalsContact O-CB 3.31Å; N1276-N1280 WeakPolarHBondContact O-CB 3.33Å; N1276-N1280 VanDerWaalsContact O-CG 3.28Å; N1276-N1280 PolarHBondContact O-N 3.12Å; N1276-N1280 VanDerWaalsContact O-N 3.15Å; N1276-N1280 PolarHBondContact O-ND2 2.99Å; I1278-N1280 VanDerWaalsContact C-N 3.29Å; I1278-N1280 PolarHBondContact O-N 3.23Å; N1280-S1283 WeakPolarHBondContact CA-OG 3.5Å; N1280-S1283 PolarHBondContact O-OG 3.41Å; N1280-S1283 VanDerWaalsContact O-OG 3.13Å; N1280-L1284 WeakPolarHBondContact O-CD1 3.36Å; N1280-L1284 WeakPolarHBondContact O-CG 2.92Å |
| 1281 | K | 41.2 | Very low | 44.5 | Very low | 151.6 Ų | 151.6 | 95.9 Ų | 95.9 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.7 | -33.3 | 175.7 | -74.6 | -177.7 | -179.9 | 178.3 | 0 | 112.7 | E1234 E1236 A1277 I1278 A1279 S1283 | E1234-K1281 IonicContact OE2-NZ 3.95Å; E1236-K1281 IonicContact OE1-NZ 3.69Å; A1277-K1281 WeakPolarHBondContact O-CG 3.26Å; A1277-K1281 PolarHBondContact O-N 3.15Å; I1278-K1281 WeakPolarHBondContact O-CA 3.34Å; I1278-K1281 WeakPolarHBondContact O-CB 3.15Å; I1278-K1281 PolarHBondContact O-N 2.96Å; A1279-K1281 VanDerWaalsContact C-N 3.31Å; A1279-K1281 PolarHBondContact O-N 3.19Å; K1281-S1283 PolarHBondContact O-N 3.43Å |
| 1282 | S | 37.9 | Very low | 42.6 | Very low | 62.8 Ų | 62.8 | 97 Ų | 97 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -88.8 | -2.9 | -176.9 | 58.4 | 0 | 0 | 0 | 0 | 113 | I1278 A1279 L1284 | I1278-S1282 WeakPolarHBondContact O-CB 3.15Å; I1278-S1282 PolarHBondContact O-N 3.06Å; I1278-S1282 PolarHBondContact O-OG 3.07Å; A1279-S1282 CarbonylContact C-O 3.52Å; A1279-S1282 PolarHBondContact O-N 3.26Å; A1279-S1282 PolarHBondContact O-OG 3.03Å; A1279-S1282 VanDerWaalsContact O-OG 3.05Å; S1282-L1284 PolarHBondContact O-N 3.27Å; S1282-L1284 VanDerWaalsContact OG-CD1 3.3Å; S1282-L1284 WeakPolarHBondContact OG-CD1 3.38Å; S1282-L1284 VanDerWaalsContact OG-CG 3.26Å; S1282-L1284 WeakPolarHBondContact OG-CG 3.29Å |
| 1283 | S | 34.7 | Very low | 40.3 | Very low | 95 Ų | 95 | 98.9 Ų | 98.9 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 13.8 | -180 | 33.2 | 0 | 0 | 0 | 0 | 114.3 | A1279 N1280 K1281 K1285 L1286 | A1279-S1283 PolarHBondContact O-N 3.06Å; A1279-S1283 VanDerWaalsContact O-N 3.12Å; A1279-S1283 PolarHBondContact O-OG 2.85Å; N1280-S1283 WeakPolarHBondContact CA-OG 3.5Å; N1280-S1283 PolarHBondContact O-OG 3.41Å; N1280-S1283 VanDerWaalsContact O-OG 3.13Å; K1281-S1283 PolarHBondContact O-N 3.43Å; S1283-K1285 VanDerWaalsContact C-N 3.28Å; S1283-K1285 PolarHBondContact O-N 3.25Å; S1283-K1285 VanDerWaalsContact O-N 3.15Å; S1283-L1286 PolarHBondContact O-N 3.42Å |
| 1284 | L | 34.8 | Very low | 38.1 | Very low | 105.4 Ų | 105.4 | 104.2 Ų | 104.2 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | trans | -72.7 | 66.4 | 174.2 | -75.1 | 171.3 | 0 | 0 | 0 | 111.9 | I1083 L1178 I1278 A1279 N1280 S1282 L1286 | I1083-L1284 HydrophobicContact CG1-CD2 4.3Å; L1178-L1284 HydrophobicContact CD1-CD1 3.43Å; L1178-L1284 VanDerWaalsContact CD1-CD1 3.43Å; L1178-L1284 HydrophobicContact CD1-CD2 4.5Å; I1278-L1284 HydrophobicContact CG2-CD1 4.43Å; A1279-L1284 HydrophobicContact CB-CB 4.23Å; A1279-L1284 HydrophobicContact CB-CD1 4.47Å; N1280-L1284 WeakPolarHBondContact O-CD1 3.36Å; N1280-L1284 WeakPolarHBondContact O-CG 2.92Å; S1282-L1284 PolarHBondContact O-N 3.27Å; S1282-L1284 VanDerWaalsContact OG-CD1 3.3Å; S1282-L1284 WeakPolarHBondContact OG-CD1 3.38Å; S1282-L1284 VanDerWaalsContact OG-CG 3.26Å; S1282-L1284 WeakPolarHBondContact OG-CG 3.29Å; L1284-L1286 PolarHBondContact O-N 3.42Å; L1284-L1286 VanDerWaalsContact O-N 3.13Å | ||
| 1285 | K | 30.7 | Very low | 36.1 | Very low | 184 Ų | 184 | 106 Ų | 106 | 80% | 0.8 | 61% | 0.613 | S | S | * | * | trans | -87.6 | 58.8 | 173.7 | -72.7 | -178.2 | 178.9 | 177.6 | 0 | 112.3 | S1283 Q1287 | S1283-K1285 VanDerWaalsContact C-N 3.28Å; S1283-K1285 PolarHBondContact O-N 3.25Å; S1283-K1285 VanDerWaalsContact O-N 3.15Å; K1285-Q1287 HydrophobicContact CB-CG 4.42Å; K1285-Q1287 PolarHBondContact O-N 2.93Å; K1285-Q1287 VanDerWaalsContact O-N 3.11Å | ||
| 1286 | L | 32.1 | Very low | 34.4 | Very low | 129 Ų | 129 | 107.6 Ų | 107.6 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | trans | -103.3 | 101.6 | 169.8 | -75.6 | 159.5 | 0 | 0 | 0 | 109.2 | L1080 F1180 P1275 S1283 L1284 P1288 | L1080-L1286 HydrophobicContact CD2-CD2 3.97Å; F1180-L1286 HydrophobicContact CE1-CD1 4.24Å; F1180-L1286 HydrophobicContact CE1-CD2 4.06Å; P1275-L1286 HydrophobicContact CB-CD1 3.72Å; S1283-L1286 PolarHBondContact O-N 3.42Å; L1284-L1286 PolarHBondContact O-N 3.42Å; L1284-L1286 VanDerWaalsContact O-N 3.13Å; L1286-P1288 VanDerWaalsContact O-CD 3.26Å; L1286-P1288 WeakPolarHBondContact O-CD 3.43Å | ||
| 1287 | Q | 27.4 | Very low | 33 | Very low | 169.4 Ų | 169.4 | 111.9 Ų | 111.9 | 79% | 0.792 | 66% | 0.658 | S | S | * | * | trans | -81.3 | 128.3 | 169.3 | -71.7 | -173.5 | 17.4 | 0 | 0 | 108.9 | K1285 S1289 | K1285-Q1287 HydrophobicContact CB-CG 4.42Å; K1285-Q1287 PolarHBondContact O-N 2.93Å; K1285-Q1287 VanDerWaalsContact O-N 3.11Å; Q1287-S1289 PolarHBondContact O-N 3.15Å | ||
| 1288 | P | 29.3 | Very low | 31.7 | Very low | 111.8 Ų | 111.8 | 113.6 Ų | 113.6 | 73% | 0.726 | 67% | 0.672 | S | S | * | * | trans | -75.4 | 125.1 | 175.2 | 29.3 | -30.5 | 0 | 0 | 0 | 110 | L1286 G1290 A1293 | L1286-P1288 VanDerWaalsContact O-CD 3.26Å; L1286-P1288 WeakPolarHBondContact O-CD 3.43Å; P1288-G1290 PolarHBondContact O-N 2.93Å; P1288-A1293 HydrophobicContact CB-CB 4.04Å; P1288-A1293 HydrophobicContact CG-CB 3.8Å | ||
| 1289 | S | 27.5 | Very low | 30.4 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | -91.8 | 113 | 166.1 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | Q1047 Q1287 | Q1047-S1289 PolarHBondContact NE2-OG 3.23Å; Q1047-S1289 PolarHBondContact OE1-OG 3.1Å; Q1287-S1289 PolarHBondContact O-N 3.15Å | ||
| 1290 | G | 27.9 | Very low | 29.4 | Very low | 67.6 Ų | 67.6 | 126.2 Ų | 126.2 | 70% | 0.697 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 138.3 | 120.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1288 D1292 | P1288-G1290 PolarHBondContact O-N 2.93Å; G1290-D1292 PolarHBondContact O-N 3.2Å; G1290-D1292 VanDerWaalsContact O-N 3.15Å |
| 1291 | E | 25.6 | Very low | 28.5 | Very low | 192.4 Ų | 192.4 | 125.9 Ų | 125.9 | 90% | 0.899 | 73% | 0.726 | S | S | * | * | trans | -65 | 102 | -169.4 | -66.4 | 176.7 | 138.9 | 0 | 0 | 114.9 | ||||
| 1292 | D | 26.5 | Very low | 27.8 | Very low | 161.6 Ų | 161.6 | 124.1 Ų | 124.1 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | 173 | 72.6 | 168 | -73.5 | -28.8 | 0 | 0 | 0 | 116.5 | G1290 L1294 | G1290-D1292 PolarHBondContact O-N 3.2Å; G1290-D1292 VanDerWaalsContact O-N 3.15Å; D1292-L1294 PolarHBondContact O-N 2.97Å | ||
| 1293 | A | 26 | Very low | 27.2 | Very low | 83.2 Ų | 83.2 | 126.1 Ų | 126.1 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | trans | -109.4 | 70 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1288 S1295 | P1288-A1293 HydrophobicContact CB-CB 4.04Å; P1288-A1293 HydrophobicContact CG-CB 3.8Å; A1293-S1295 PolarHBondContact O-N 3.05Å | ||
| 1294 | L | 24.1 | Very low | 26.7 | Very low | 167.2 Ų | 167.2 | 127 Ų | 127 | 88% | 0.875 | 75% | 0.75 | S | S | * | * | trans | -140.2 | 81.5 | 164.8 | -82.5 | 167 | 0 | 0 | 0 | 112.6 | D1292 G1296 | D1292-L1294 PolarHBondContact O-N 2.97Å; L1294-G1296 VanDerWaalsContact C-N 3.31Å; L1294-G1296 PolarHBondContact O-N 3.39Å | ||
| 1295 | S | 24.4 | Very low | 26.3 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -111.6 | 105 | 171.7 | 155.3 | 0 | 0 | 0 | 0 | 113.3 | A1293 K1299 | A1293-S1295 PolarHBondContact O-N 3.05Å; S1295-K1299 WeakPolarHBondContact O-CD 3.49Å; S1295-K1299 WeakPolarHBondContact O-CE 3.5Å; S1295-K1299 WeakPolarHBondContact O-CG 3.44Å; S1295-K1299 PolarHBondContact O-NZ 3.33Å; S1295-K1299 VanDerWaalsContact OG-CE 3.24Å; S1295-K1299 WeakPolarHBondContact OG-CE 3.39Å; S1295-K1299 PolarHBondContact OG-NZ 3.22Å | ||
| 1296 | G | 24.2 | Very low | 26.1 | Very low | 63.8 Ų | 63.8 | 126.4 Ų | 126.4 | 66% | 0.658 | 76% | 0.763 | S | S | * | * | trans | 172.4 | 68.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | L1294 A1298 | L1294-G1296 VanDerWaalsContact C-N 3.31Å; L1294-G1296 PolarHBondContact O-N 3.39Å; G1296-A1298 PolarHBondContact O-N 3.47Å | ||
| 1297 | L | 25.1 | Very low | 25.8 | Very low | 151.4 Ų | 151.4 | 128.2 Ų | 128.2 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -95.8 | 83 | 170.7 | -73 | 164.6 | 0 | 0 | 0 | 114.1 | K1299 | L1297-K1299 PolarHBondContact O-N 3.27Å; L1297-K1299 VanDerWaalsContact O-N 3.16Å | ||
| 1298 | A | 24.4 | Very low | 25.8 | Very low | 87.4 Ų | 87.4 | 127.5 Ų | 127.5 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -99 | 108.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G1296 I1300 | G1296-A1298 PolarHBondContact O-N 3.47Å; A1298-I1300 PolarHBondContact O-N 3.15Å; A1298-I1300 VanDerWaalsContact O-N 3.17Å | ||
| 1299 | K | 24.3 | Very low | 25.7 | Very low | 187.4 Ų | 187.4 | 128.6 Ų | 128.6 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | -82.8 | 83.5 | 169.4 | -79.4 | 172.5 | 178.8 | 172.3 | 0 | 112.5 | S1295 L1297 | S1295-K1299 WeakPolarHBondContact O-CD 3.49Å; S1295-K1299 WeakPolarHBondContact O-CE 3.5Å; S1295-K1299 WeakPolarHBondContact O-CG 3.44Å; S1295-K1299 PolarHBondContact O-NZ 3.33Å; S1295-K1299 VanDerWaalsContact OG-CE 3.24Å; S1295-K1299 WeakPolarHBondContact OG-CE 3.39Å; S1295-K1299 PolarHBondContact OG-NZ 3.22Å; L1297-K1299 PolarHBondContact O-N 3.27Å; L1297-K1299 VanDerWaalsContact O-N 3.16Å | ||
| 1300 | I | 26.6 | Very low | 25.7 | Very low | 143.8 Ų | 143.8 | 128.3 Ų | 128.3 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | trans | -123.6 | 95.2 | 163.2 | -57.7 | 178.3 | 0 | 0 | 0 | 109 | A1298 P1302 | A1298-I1300 PolarHBondContact O-N 3.15Å; A1298-I1300 VanDerWaalsContact O-N 3.17Å; I1300-P1302 WeakPolarHBondContact O-CD 3.31Å | ||
| 1301 | V | 24.5 | Very low | 25.8 | Very low | 119.8 Ų | 119.8 | 130.1 Ų | 130.1 | 73% | 0.726 | 75% | 0.754 | S | S | * | * | trans | -86.6 | 118.3 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | S1303 | V1301-S1303 PolarHBondContact O-N 3.21Å; V1301-S1303 VanDerWaalsContact O-N 3.1Å | ||
| 1302 | P | 25.7 | Very low | 26 | Very low | 112.4 Ų | 112.4 | 125.6 Ų | 125.6 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | -75.4 | 106.9 | 171.6 | 24.2 | -21.8 | 0 | 0 | 0 | 108.6 | I1300 S1304 | I1300-P1302 WeakPolarHBondContact O-CD 3.31Å; P1302-S1304 PolarHBondContact O-N 2.85Å | ||
| 1303 | S | 24.7 | Very low | 26.2 | Very low | 105.2 Ų | 105.2 | 124.7 Ų | 124.7 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -64.8 | 123.8 | 169.1 | 51.3 | 0 | 0 | 0 | 0 | 110 | V1301 A1305 | V1301-S1303 PolarHBondContact O-N 3.21Å; V1301-S1303 VanDerWaalsContact O-N 3.1Å; S1303-A1305 PolarHBondContact O-N 3.28Å | ||
| 1304 | S | 25.3 | Very low | 26.7 | Very low | 114.6 Ų | 114.6 | 124.5 Ų | 124.5 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | -5.8 | 102 | 167.8 | 50.8 | 0 | 0 | 0 | 0 | 115 | P1302 Q1306 | P1302-S1304 PolarHBondContact O-N 2.85Å; S1304-Q1306 PolarHBondContact O-N 3.24Å; S1304-Q1306 VanDerWaalsContact O-N 3.13Å | ||
| 1305 | A | 25.7 | Very low | 27.3 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | -90 | 105.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1303 Q1307 | S1303-A1305 PolarHBondContact O-N 3.28Å; A1305-Q1307 HydrophobicContact CB-CG 4.28Å; A1305-Q1307 PolarHBondContact O-N 2.87Å | ||
| 1306 | Q | 26.4 | Very low | 27.7 | Very low | 187.6 Ų | 187.6 | 120 Ų | 120 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | trans | -79.7 | 122.2 | 161.7 | -72.5 | 176.9 | -31.6 | 0 | 0 | 108.3 | S1304 H1308 | S1304-Q1306 PolarHBondContact O-N 3.24Å; S1304-Q1306 VanDerWaalsContact O-N 3.13Å; Q1306-H1308 PolarHBondContact O-CD2 3.19Å; Q1306-H1308 PolarHBondContact O-N 3.16Å | ||
| 1307 | Q | 26.2 | Very low | 28.1 | Very low | 166.6 Ų | 166.6 | 121.1 Ų | 121.1 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | trans | -87.3 | 122.8 | -177.4 | -64.4 | -169.1 | -35.4 | 0 | 0 | 111.7 | A1305 L1309 | A1305-Q1307 HydrophobicContact CB-CG 4.28Å; A1305-Q1307 PolarHBondContact O-N 2.87Å; Q1307-L1309 PolarHBondContact O-N 3.2Å | ||
| 1308 | H | 27.1 | Very low | 28.4 | Very low | 155.6 Ų | 155.6 | 121.5 Ų | 121.5 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | trans | -86 | 110.7 | 174.8 | -127.9 | -92.1 | 0 | 0 | 0 | 110.7 | V1203 Q1306 T1310 | V1203-H1308 HydrophobicContact CG2-CB 4.49Å; Q1306-H1308 PolarHBondContact O-CD2 3.19Å; Q1306-H1308 PolarHBondContact O-N 3.16Å; H1308-T1310 PolarHBondContact O-N 3.08Å; H1308-T1310 VanDerWaalsContact O-N 3.09Å | ||
| 1309 | L | 27.8 | Very low | 28.8 | Very low | 133.2 Ų | 133.2 | 122.6 Ų | 122.6 | 70% | 0.697 | 68% | 0.677 | S | S | * | * | trans | -71.6 | 122.4 | 174.5 | -70.3 | 101.6 | 0 | 0 | 0 | 110.4 | Q1307 T1311 | Q1307-L1309 PolarHBondContact O-N 3.2Å; L1309-T1311 PolarHBondContact O-N 3.01Å | ||
| 1310 | T | 27.2 | Very low | 29.3 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 58% | 0.583 | 67% | 0.669 | S | S | * | * | trans | -98.2 | 117.9 | 168.1 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | H1308 L1355 | H1308-T1310 PolarHBondContact O-N 3.08Å; H1308-T1310 VanDerWaalsContact O-N 3.09Å; T1310-L1355 HydrophobicContact CG2-CD1 4.1Å | ||
| 1311 | T | 30.3 | Very low | 29.5 | Very low | 104.2 Ų | 104.2 | 122.8 Ų | 122.8 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | trans | -56 | 127.7 | 165.4 | 46 | 0 | 0 | 0 | 0 | 112.9 | L1309 H1313 S1314 L1316 | L1309-T1311 PolarHBondContact O-N 3.01Å; T1311-H1313 PolarHBondContact O-N 2.86Å; T1311-S1314 PolarHBondContact O-N 2.85Å; T1311-L1316 HydrophobicContact CG2-CD1 3.79Å | ||
| 1312 | S | 30.5 | Very low | 30 | Very low | 98.6 Ų | 98.6 | 120.6 Ų | 120.6 | 69% | 0.69 | 66% | 0.662 | S | S | * | * | trans | 17.6 | 65.5 | 159.9 | -18.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1313 | H | 30.5 | Very low | 30.3 | Very low | 142.6 Ų | 142.6 | 123.4 Ų | 123.4 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | trans | -110.9 | 134.8 | 169.6 | -69.9 | -81 | 0 | 0 | 0 | 112 | T1311 V1315 D1317 | T1311-H1313 PolarHBondContact O-N 2.86Å; H1313-V1315 PolarHBondContact O-N 3.29Å; H1313-D1317 HydrophobicContact CB-CB 4.26Å | ||
| 1314 | S | 34.7 | Very low | 30.6 | Very low | 79.6 Ų | 79.6 | 127.3 Ų | 127.3 | 56% | 0.557 | 67% | 0.667 | S | S | * | * | trans | -51.6 | 110.1 | 169.4 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | T1311 L1316 D1317 | T1311-S1314 PolarHBondContact O-N 2.85Å; S1314-L1316 PolarHBondContact O-N 3.05Å; S1314-L1316 VanDerWaalsContact O-N 3.12Å; S1314-D1317 WeakPolarHBondContact O-CB 3.28Å; S1314-D1317 PolarHBondContact O-N 2.94Å; S1314-D1317 VanDerWaalsContact O-N 3.12Å | ||
| 1315 | V | 37.2 | Very low | 30.8 | Very low | 90.2 Ų | 90.2 | 127.6 Ų | 127.6 | 55% | 0.547 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.3 | -27.7 | -175.7 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | H1313 D1317 F1318 M1319 | H1313-V1315 PolarHBondContact O-N 3.29Å; V1315-D1317 VanDerWaalsContact C-N 3.3Å; V1315-D1317 PolarHBondContact O-N 3.15Å; V1315-F1318 PolarHBondContact O-N 2.91Å; V1315-F1318 VanDerWaalsContact O-N 3.1Å; V1315-M1319 PolarHBondContact O-N 3.16Å; V1315-M1319 VanDerWaalsContact O-N 3.13Å |
| 1316 | L | 32.5 | Very low | 30.8 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 48% | 0.476 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -63.3 | -30.9 | 176.6 | -75.6 | 178.8 | 0 | 0 | 0 | 114.3 | M1197 Q1202 T1311 S1314 F1318 M1319 R1320 | M1197-L1316 HydrophobicContact CE-CD2 4.09Å; Q1202-L1316 HydrophobicContact CB-CD1 3.52Å; Q1202-L1316 HydrophobicContact CB-CD2 3.44Å; Q1202-L1316 VanDerWaalsContact CB-CD2 3.44Å; Q1202-L1316 HydrophobicContact CB-CG 3.83Å; Q1202-L1316 HydrophobicContact CG-CD1 3.58Å; Q1202-L1316 HydrophobicContact CG-CD2 4.13Å; Q1202-L1316 HydrophobicContact CG-CG 3.99Å; T1311-L1316 HydrophobicContact CG2-CD1 3.79Å; S1314-L1316 PolarHBondContact O-N 3.05Å; S1314-L1316 VanDerWaalsContact O-N 3.12Å; L1316-F1318 VanDerWaalsContact C-N 3.34Å; L1316-F1318 PolarHBondContact O-N 2.79Å; L1316-M1319 WeakPolarHBondContact O-CB 3.31Å; L1316-M1319 PolarHBondContact O-N 2.86Å; L1316-M1319 VanDerWaalsContact O-N 3.08Å; L1316-R1320 WeakPolarHBondContact O-CB 3.25Å; L1316-R1320 WeakPolarHBondContact O-CG 3.37Å; L1316-R1320 PolarHBondContact O-N 2.99Å; L1316-R1320 VanDerWaalsContact O-N 3.09Å |
| 1317 | D | 33.3 | Very low | 30.9 | Very low | 87.2 Ų | 87.2 | 128.1 Ų | 128.1 | 47% | 0.466 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.3 | -30 | 179.5 | -101.4 | -10 | 0 | 0 | 0 | 112.3 | H1313 S1314 V1315 M1319 R1320 K1321 | H1313-D1317 HydrophobicContact CB-CB 4.26Å; S1314-D1317 WeakPolarHBondContact O-CB 3.28Å; S1314-D1317 PolarHBondContact O-N 2.94Å; S1314-D1317 VanDerWaalsContact O-N 3.12Å; V1315-D1317 VanDerWaalsContact C-N 3.3Å; V1315-D1317 PolarHBondContact O-N 3.15Å; D1317-M1319 VanDerWaalsContact C-N 3.29Å; D1317-M1319 PolarHBondContact O-N 3.11Å; D1317-R1320 PolarHBondContact O-N 3.18Å; D1317-R1320 IonicContact OD1-CZ 2.95Å; D1317-R1320 IonicContact OD1-NE 2.79Å; D1317-R1320 IonicContact OD1-NH1 3.66Å; D1317-R1320 PolarHBondContact OD1-NH1 3.19Å; D1317-K1321 PolarHBondContact O-N 3.12Å; D1317-K1321 VanDerWaalsContact O-N 3.13Å |
| 1318 | F | 31.8 | Very low | 30.9 | Very low | 160.8 Ų | 160.8 | 124.6 Ų | 124.6 | 71% | 0.705 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.4 | -34.6 | 174.6 | -130 | -86.6 | 0 | 0 | 0 | 111.4 | V1315 L1316 R1320 K1321 A1322 | V1315-F1318 PolarHBondContact O-N 2.91Å; V1315-F1318 VanDerWaalsContact O-N 3.1Å; L1316-F1318 VanDerWaalsContact C-N 3.34Å; L1316-F1318 PolarHBondContact O-N 2.79Å; F1318-R1320 VanDerWaalsContact C-N 3.28Å; F1318-R1320 PolarHBondContact O-N 3.47Å; F1318-K1321 PolarHBondContact O-N 2.79Å; F1318-A1322 WeakPolarHBondContact O-CB 3.19Å; F1318-A1322 PolarHBondContact O-N 3.33Å |
| 1319 | M | 33 | Very low | 31 | Very low | 109.2 Ų | 109.2 | 123.2 Ų | 123.2 | 54% | 0.538 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -73.7 | -30.4 | 176.1 | -68.6 | -170.1 | 69.2 | 0 | 0 | 113.6 | E1201 Q1202 V1315 L1316 D1317 K1321 A1322 | E1201-M1319 WeakPolarHBondContact OE1-CE 3.22Å; Q1202-M1319 HydrophobicContact CG-CE 3.69Å; V1315-M1319 PolarHBondContact O-N 3.16Å; V1315-M1319 VanDerWaalsContact O-N 3.13Å; L1316-M1319 WeakPolarHBondContact O-CB 3.31Å; L1316-M1319 PolarHBondContact O-N 2.86Å; L1316-M1319 VanDerWaalsContact O-N 3.08Å; D1317-M1319 VanDerWaalsContact C-N 3.29Å; D1317-M1319 PolarHBondContact O-N 3.11Å; M1319-K1321 VanDerWaalsContact C-N 3.33Å; M1319-K1321 PolarHBondContact O-N 3.15Å; M1319-A1322 PolarHBondContact O-N 3.25Å |
| 1320 | R | 33.7 | Very low | 30.9 | Very low | 169.4 Ų | 169.4 | 124.3 Ų | 124.3 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -70.8 | -30.5 | 176.9 | -79.5 | -178.4 | 174.5 | 169.5 | -1.1 | 113.2 | Q1202 L1316 D1317 F1318 A1322 K1323 | Q1202-R1320 VanDerWaalsContact CD-NH1 3.33Å; Q1202-R1320 VanDerWaalsContact NE2-NH1 3.12Å; L1316-R1320 WeakPolarHBondContact O-CB 3.25Å; L1316-R1320 WeakPolarHBondContact O-CG 3.37Å; L1316-R1320 PolarHBondContact O-N 2.99Å; L1316-R1320 VanDerWaalsContact O-N 3.09Å; D1317-R1320 PolarHBondContact O-N 3.18Å; D1317-R1320 IonicContact OD1-CZ 2.95Å; D1317-R1320 IonicContact OD1-NE 2.79Å; D1317-R1320 IonicContact OD1-NH1 3.66Å; D1317-R1320 PolarHBondContact OD1-NH1 3.19Å; F1318-R1320 VanDerWaalsContact C-N 3.28Å; F1318-R1320 PolarHBondContact O-N 3.47Å; R1320-A1322 PolarHBondContact O-N 2.78Å; R1320-K1323 PolarHBondContact O-N 2.89Å |
| 1321 | K | 32.2 | Very low | 31 | Very low | 167.6 Ų | 167.6 | 127.8 Ų | 127.8 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -78.6 | -27.1 | 179 | -77.1 | -175.8 | 178.8 | 175 | 0 | 113.9 | D1317 F1318 M1319 K1323 K1324 | D1317-K1321 PolarHBondContact O-N 3.12Å; D1317-K1321 VanDerWaalsContact O-N 3.13Å; F1318-K1321 PolarHBondContact O-N 2.79Å; M1319-K1321 VanDerWaalsContact C-N 3.33Å; M1319-K1321 PolarHBondContact O-N 3.15Å; K1321-K1323 VanDerWaalsContact C-N 3.26Å; K1321-K1323 PolarHBondContact O-N 3.1Å; K1321-K1323 VanDerWaalsContact O-N 3.15Å; K1321-K1324 PolarHBondContact O-N 3.12Å |
| 1322 | A | 33.5 | Very low | 30.8 | Very low | 72.8 Ų | 72.8 | 132 Ų | 132 | 60% | 0.602 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -66.5 | -19.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1318 M1319 R1320 K1324 T1325 | F1318-A1322 WeakPolarHBondContact O-CB 3.19Å; F1318-A1322 PolarHBondContact O-N 3.33Å; M1319-A1322 PolarHBondContact O-N 3.25Å; R1320-A1322 PolarHBondContact O-N 2.78Å; A1322-K1324 VanDerWaalsContact C-N 3.31Å; A1322-K1324 PolarHBondContact O-N 3.26Å; A1322-T1325 PolarHBondContact O-N 3.45Å; A1322-T1325 PolarHBondContact O-OG1 3.41Å |
| 1323 | K | 32.7 | Very low | 30.5 | Very low | 172.4 Ų | 172.4 | 139.1 Ų | 139.1 | 75% | 0.75 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 3.4 | -179.2 | -115 | 179.5 | -178.3 | 174.7 | 0 | 114.8 | R1320 K1321 T1325 S1327 | R1320-K1323 PolarHBondContact O-N 2.89Å; K1321-K1323 VanDerWaalsContact C-N 3.26Å; K1321-K1323 PolarHBondContact O-N 3.1Å; K1321-K1323 VanDerWaalsContact O-N 3.15Å; K1323-T1325 VanDerWaalsContact C-N 3.33Å; K1323-T1325 PolarHBondContact O-N 3.46Å; K1323-S1327 PolarHBondContact O-OG 3.46Å |
| 1324 | K | 30.1 | Very low | 30.3 | Very low | 186.6 Ų | 186.6 | 140.2 Ų | 140.2 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 5.7 | 178 | -90.3 | -174.1 | 176.7 | 179.8 | 0 | 113.9 | K1321 A1322 | K1321-K1324 PolarHBondContact O-N 3.12Å; A1322-K1324 VanDerWaalsContact C-N 3.31Å; A1322-K1324 PolarHBondContact O-N 3.26Å |
| 1325 | T | 30 | Very low | 30 | Very low | 120.6 Ų | 120.6 | 141.8 Ų | 141.8 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | trans | -107.7 | 21.9 | 177.1 | 37.8 | 0 | 0 | 0 | 0 | 114 | A1322 K1323 S1327 | A1322-T1325 PolarHBondContact O-N 3.45Å; A1322-T1325 PolarHBondContact O-OG1 3.41Å; K1323-T1325 VanDerWaalsContact C-N 3.33Å; K1323-T1325 PolarHBondContact O-N 3.46Å; T1325-S1327 VanDerWaalsContact C-N 3.26Å; T1325-S1327 PolarHBondContact O-N 2.74Å | ||
| 1326 | E | 27.1 | Very low | 29.5 | Very low | 177.6 Ų | 177.6 | 142.6 Ų | 142.6 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | trans | -97.4 | 35.3 | 171.7 | -68.4 | -171.8 | 165.1 | 0 | 0 | 114.9 | A1328 | E1326-A1328 VanDerWaalsContact C-N 3.31Å; E1326-A1328 PolarHBondContact O-N 3.39Å | ||
| 1327 | S | 27.6 | Very low | 29.3 | Very low | 109.2 Ų | 109.2 | 147.5 Ų | 147.5 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -102.7 | 64.8 | 165.9 | -50.9 | 0 | 0 | 0 | 0 | 112 | K1323 T1325 V1329 | K1323-S1327 PolarHBondContact O-OG 3.46Å; T1325-S1327 VanDerWaalsContact C-N 3.26Å; T1325-S1327 PolarHBondContact O-N 2.74Å; S1327-V1329 PolarHBondContact O-N 2.54Å | ||
| 1328 | A | 25.8 | Very low | 29 | Very low | 92.6 Ų | 92.6 | 153.1 Ų | 153.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -115.5 | 58.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1326 N1330 | E1326-A1328 VanDerWaalsContact C-N 3.31Å; E1326-A1328 PolarHBondContact O-N 3.39Å; A1328-N1330 PolarHBondContact O-N 3.25Å | ||
| 1329 | V | 29.9 | Very low | 28.9 | Very low | 125.8 Ų | 125.8 | 153.7 Ų | 153.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -114.9 | 100.7 | 167.8 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | S1327 L1331 | S1327-V1329 PolarHBondContact O-N 2.54Å; V1329-L1331 VanDerWaalsContact C-N 3.29Å; V1329-L1331 HydrophobicContact CG1-CD1 3.93Å; V1329-L1331 PolarHBondContact O-N 2.96Å | ||
| 1330 | N | 26.3 | Very low | 28.8 | Very low | 156.4 Ų | 156.4 | 155.4 Ų | 155.4 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -37.4 | 94.1 | 165.7 | -81.1 | -48.1 | 0 | 0 | 0 | 113.4 | A1328 K1332 | A1328-N1330 PolarHBondContact O-N 3.25Å; N1330-K1332 PolarHBondContact O-N 3.13Å; N1330-K1332 VanDerWaalsContact O-N 3.11Å | ||
| 1331 | L | 27.6 | Very low | 28.8 | Very low | 170.4 Ų | 170.4 | 152 Ų | 152 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | trans | -84.5 | 99 | 168 | -143.9 | 78.1 | 0 | 0 | 0 | 109.4 | V1329 R1333 | V1329-L1331 VanDerWaalsContact C-N 3.29Å; V1329-L1331 HydrophobicContact CG1-CD1 3.93Å; V1329-L1331 PolarHBondContact O-N 2.96Å; L1331-R1333 PolarHBondContact O-N 3.11Å; L1331-R1333 VanDerWaalsContact O-N 3.12Å | ||
| 1332 | K | 27.8 | Very low | 28.8 | Very low | 191.2 Ų | 191.2 | 153.2 Ų | 153.2 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -63.9 | 121.8 | 173.4 | -75.4 | 177.3 | 175.8 | 175.8 | 0 | 111.1 | N1330 L1334 | N1330-K1332 PolarHBondContact O-N 3.13Å; N1330-K1332 VanDerWaalsContact O-N 3.11Å; K1332-L1334 PolarHBondContact O-N 3.34Å | ||
| 1333 | R | 23.7 | Very low | 28.8 | Very low | 248.6 Ų | 248.6 | 156.1 Ų | 156.1 | 94% | 0.938 | 81% | 0.813 | S | S | * | * | trans | -18.7 | 101.6 | 158.3 | -145.9 | -179.2 | -141.9 | -176.2 | 0.3 | 113.6 | L1331 | L1331-R1333 PolarHBondContact O-N 3.11Å; L1331-R1333 VanDerWaalsContact O-N 3.12Å | ||
| 1334 | L | 26.5 | Very low | 29.2 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -106.6 | 136.7 | 159.9 | -79.5 | 168.5 | 0 | 0 | 0 | 109.6 | K1332 | K1332-L1334 PolarHBondContact O-N 3.34Š| ||
| 1335 | P | 28.8 | Very low | 29.6 | Very low | 114.2 Ų | 114.2 | 152.9 Ų | 152.9 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | -82.8 | 146.8 | -165.3 | 31.6 | -32.4 | 0 | 0 | 0 | 113.3 | K1337 | P1335-K1337 PolarHBondContact O-N 2.92Å; P1335-K1337 VanDerWaalsContact O-N 3.09Å | ||
| 1336 | A | 26.5 | Very low | 30.3 | Very low | 105.4 Ų | 105.4 | 152.9 Ų | 152.9 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | -54.9 | 108.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1337 | K | 27.4 | Very low | 31.9 | Very low | 194.4 Ų | 194.4 | 147.8 Ų | 147.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -97.2 | 122.8 | 156.8 | -79.3 | -175.1 | 175.3 | -179.2 | 0 | 108.4 | P1335 H1339 | P1335-K1337 PolarHBondContact O-N 2.92Å; P1335-K1337 VanDerWaalsContact O-N 3.09Å; K1337-H1339 PolarHBondContact O-N 3.24Å; K1337-H1339 VanDerWaalsContact O-N 3.11Å | ||
| 1338 | K | 28.1 | Very low | 33.6 | Very low | 205.6 Ų | 205.6 | 145 Ų | 145 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | trans | -61.1 | 112.9 | 175.4 | -66.1 | 174.9 | 176 | 179.6 | 0 | 108.6 | ||||
| 1339 | H | 29 | Very low | 35.7 | Very low | 172.8 Ų | 172.8 | 141.8 Ų | 141.8 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | trans | -109.2 | 127.4 | 167.4 | -108.9 | -80.6 | 0 | 0 | 0 | 108.7 | K1337 A1341 D1343 | K1337-H1339 PolarHBondContact O-N 3.24Å; K1337-H1339 VanDerWaalsContact O-N 3.11Å; H1339-A1341 PolarHBondContact O-N 3.33Å; H1339-D1343 IonicContact CE1-OD2 3Å; H1339-D1343 IonicContact ND1-OD2 3.97Å; H1339-D1343 PolarHBondContact ND1-OD2 3.49Å | ||
| 1340 | D | 30.6 | Very low | 37.7 | Very low | 145.2 Ų | 145.2 | 140.4 Ų | 140.4 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -47.2 | 134.2 | 176 | -64.9 | -52.1 | 0 | 0 | 0 | 113.8 | K1342 | D1340-K1342 VanDerWaalsContact C-N 3.28Å; D1340-K1342 PolarHBondContact O-N 3.03Å; D1340-K1342 VanDerWaalsContact O-N 3.11Å | ||
| 1341 | A | 34.2 | Very low | 39.8 | Very low | 97.2 Ų | 97.2 | 137.5 Ų | 137.5 | 80% | 0.803 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 36.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1339 | H1339-A1341 PolarHBondContact O-N 3.33Š|
| 1342 | K | 32 | Very low | 42.2 | Very low | 192.8 Ų | 192.8 | 129.6 Ų | 129.6 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 13.3 | 175.2 | -120.7 | 179 | 178.8 | -179.3 | 0 | 112 | D1340 K1344 T1345 | D1340-K1342 VanDerWaalsContact C-N 3.28Å; D1340-K1342 PolarHBondContact O-N 3.03Å; D1340-K1342 VanDerWaalsContact O-N 3.11Å; K1342-K1344 VanDerWaalsContact C-N 3.31Å; K1342-K1344 PolarHBondContact O-N 3.14Å; K1342-K1344 VanDerWaalsContact O-N 3.09Å; K1342-T1345 PolarHBondContact O-OG1 3.48Å |
| 1343 | D | 33.8 | Very low | 44.6 | Very low | 133.4 Ų | 133.4 | 121.3 Ų | 121.3 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | trans | -80.8 | 64.9 | 179.2 | -73.5 | -24 | 0 | 0 | 0 | 111.9 | H1339 T1345 | H1339-D1343 IonicContact CE1-OD2 3Å; H1339-D1343 IonicContact ND1-OD2 3.97Å; H1339-D1343 PolarHBondContact ND1-OD2 3.49Å; D1343-T1345 VanDerWaalsContact C-N 3.28Å; D1343-T1345 PolarHBondContact O-N 3.11Å | ||
| 1344 | K | 39.8 | Very low | 47 | Very low | 181 Ų | 181 | 111.5 Ų | 111.5 | 79% | 0.787 | 59% | 0.59 | S | S | * | * | trans | -75.5 | 31.4 | 170.4 | -74.5 | 178.4 | -179.5 | -177.9 | 0 | 112.7 | K1342 E1346 R1351 | K1342-K1344 VanDerWaalsContact C-N 3.31Å; K1342-K1344 PolarHBondContact O-N 3.14Å; K1342-K1344 VanDerWaalsContact O-N 3.09Å; K1344-E1346 PolarHBondContact O-N 3.11Å; K1344-E1346 VanDerWaalsContact O-N 3.11Å; K1344-R1351 PolarHBondContact O-NH2 2.86Å | ||
| 1345 | T | 38.1 | Very low | 49.2 | Very low | 112 Ų | 112 | 105.2 Ų | 105.2 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | trans | -75.3 | 52.9 | 179.3 | -44.6 | 0 | 0 | 0 | 0 | 110 | K1342 D1343 S1347 W1348 | K1342-T1345 PolarHBondContact O-OG1 3.48Å; D1343-T1345 VanDerWaalsContact C-N 3.28Å; D1343-T1345 PolarHBondContact O-N 3.11Å; T1345-S1347 VanDerWaalsContact C-N 3.26Å; T1345-S1347 PolarHBondContact O-N 3Å; T1345-W1348 PolarHBondContact O-N 2.74Å; T1345-W1348 VanDerWaalsContact O-N 3.15Å | ||
| 1346 | E | 46 | Very low | 51.6 | Low | 120.4 Ų | 120.4 | 99.8 Ų | 99.8 | 56% | 0.563 | 52% | 0.522 | S | S | * | . | trans | -58.7 | 97.3 | 170.6 | -67.8 | 174.2 | 163.8 | 0 | 0 | 109.9 | R1207 K1344 W1348 S1349 E1350 R1351 | R1207-E1346 IonicContact NH1-OE2 3.83Å; R1207-E1346 PolarHBondContact NH1-OE2 3.19Å; R1207-E1346 IonicContact NH2-OE2 3.94Å; K1344-E1346 PolarHBondContact O-N 3.11Å; K1344-E1346 VanDerWaalsContact O-N 3.11Å; E1346-W1348 VanDerWaalsContact C-N 3.29Å; E1346-W1348 PolarHBondContact O-N 3.15Å; E1346-S1349 WeakPolarHBondContact CA-OG 3.39Å; E1346-S1349 PolarHBondContact O-N 3.44Å; E1346-S1349 PolarHBondContact O-OG 2.9Å; E1346-E1350 PolarHBondContact O-N 3.16Å; E1346-R1351 HydrophobicContact CB-CG 4.28Å; E1346-R1351 IonicContact OE2-CZ 2.81Å; E1346-R1351 VanDerWaalsContact OE2-CZ 3.32Å; E1346-R1351 IonicContact OE2-NE 3.11Å; E1346-R1351 PolarHBondContact OE2-NE 2.86Å; E1346-R1351 IonicContact OE2-NH2 3.88Å; E1346-R1351 PolarHBondContact OE2-NH2 3.39Å | ||
| 1347 | S | 60.7 | Low | 54 | Low | 69.4 Ų | 69.4 | 96.4 Ų | 96.4 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | trans | -60.7 | 115.3 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | T1345 S1349 E1350 R1351 | T1345-S1347 VanDerWaalsContact C-N 3.26Å; T1345-S1347 PolarHBondContact O-N 3Å; S1347-S1349 PolarHBondContact O-N 3.16Å; S1347-S1349 VanDerWaalsContact O-N 3.16Å; S1347-S1349 PolarHBondContact OG-N 3.17Å; S1347-S1349 PolarHBondContact OG-OG 3.44Å; S1347-E1350 WeakPolarHBondContact O-CB 3.32Å; S1347-E1350 PolarHBondContact O-N 3.08Å; S1347-R1351 WeakPolarHBondContact O-CB 3.38Å; S1347-R1351 PolarHBondContact O-N 3.21Å | ||
| 1348 | W | 63.3 | Low | 56.2 | Low | 51 Ų | 51 | 95.8 Ų | 95.8 | 19% | 0.193 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 178.9 | 178.9 | 84.8 | 0 | 0 | 0 | 111.9 | V1185 E1187 A1190 Q1191 H1192 R1226 I1228 T1345 E1346 E1350 R1351 F1352 | V1185-W1348 HydrophobicContact CB-CZ3 4.46Å; V1185-W1348 HydrophobicContact CG1-CH2 3.45Å; V1185-W1348 VanDerWaalsContact CG1-CH2 3.44Å; V1185-W1348 HydrophobicContact CG1-CZ2 4.47Å; V1185-W1348 HydrophobicContact CG1-CZ3 3.64Å; E1187-W1348 HydrophobicContact CG-CD2 4.4Å; E1187-W1348 HydrophobicContact CG-CE3 4.18Å; E1187-W1348 HydrophobicContact CG-CZ3 4.4Å; A1190-W1348 HydrophobicContact CB-CH2 4.05Å; A1190-W1348 HydrophobicContact CB-CZ2 3.74Å; Q1191-W1348 HydrophobicContact CG-CD2 4.09Å; Q1191-W1348 HydrophobicContact CG-CG 3.9Å; Q1191-W1348 HydrophobicContact CG-CZ2 4.39Å; H1192-W1348 HydrophobicContact CB-CZ2 4.42Å; H1192-W1348 AromaticContact CD2-CD2 3.96Å; H1192-W1348 AromaticContact CD2-CE2 3.38Å; H1192-W1348 AromaticContact CD2-CH2 3.54Å; H1192-W1348 AromaticContact CD2-CZ2 3.2Å; H1192-W1348 WeakPolarHBondContact CD2-CZ2 3.29Å; H1192-W1348 AromaticContact CD2-CZ3 3.99Å; H1192-W1348 AromaticContact CD2-NE1 3.82Å; H1192-W1348 AromaticContact CE1-CD1 3.49Å; H1192-W1348 AromaticContact CE1-CD2 3.64Å; H1192-W1348 AromaticContact CE1-CE2 3.26Å; H1192-W1348 AromaticContact CE1-CE3 3.38Å; H1192-W1348 AromaticContact CE1-CG 3.79Å; H1192-W1348 AromaticContact CE1-CZ2 3.44Å; H1192-W1348 WeakPolarHBondContact CE1-CZ2 3.39Å; H1192-W1348 AromaticContact CE1-CZ3 3.81Å; H1192-W1348 AromaticContact CE1-NE1 2.92Å; H1192-W1348 PolarHBondContact CE1-NE1 3.21Å; H1192-W1348 AromaticContact CG-CD1 3.96Å; H1192-W1348 AromaticContact CG-CD2 3.95Å; H1192-W1348 AromaticContact CG-CE2 3.41Å; H1192-W1348 VanDerWaalsContact CG-CE2 3.41Å; H1192-W1348 AromaticContact CG-CZ2 3.71Å; H1192-W1348 AromaticContact CG-NE1 3.36Å; H1192-W1348 AromaticContact ND1-CD1 3.6Å; H1192-W1348 AromaticContact ND1-CD2 3.56Å; H1192-W1348 AromaticContact ND1-CE2 3.59Å; H1192-W1348 AromaticContact ND1-CG 3.71Å; H1192-W1348 AromaticContact ND1-CZ2 3.74Å; H1192-W1348 AromaticContact ND1-NE1 3.62Å; H1192-W1348 PolarHBondContact ND1-NE1 3.4Å; H1192-W1348 AromaticContact NE2-CD1 3.57Å; H1192-W1348 AromaticContact NE2-CD2 3.56Å; H1192-W1348 AromaticContact NE2-CE2 3.69Å; H1192-W1348 AromaticContact NE2-CE3 3.4Å; H1192-W1348 AromaticContact NE2-CH2 3.34Å; H1192-W1348 VanDerWaalsContact NE2-CH2 3.34Å; H1192-W1348 WeakPolarHBondContact NE2-CH2 3.41Å; H1192-W1348 AromaticContact NE2-CZ2 3.42Å; H1192-W1348 WeakPolarHBondContact NE2-CZ2 3.34Å; H1192-W1348 AromaticContact NE2-CZ3 3.31Å; H1192-W1348 VanDerWaalsContact NE2-CZ3 3.31Å; H1192-W1348 WeakPolarHBondContact NE2-CZ3 3.27Å; H1192-W1348 AromaticContact NE2-NE1 3.13Å; H1192-W1348 PolarHBondContact NE2-NE1 3.34Å; H1192-W1348 VanDerWaalsContact NE2-NE1 3.19Å; R1226-W1348 VanDerWaalsContact NH2-CE3 3.3Å; I1228-W1348 HydrophobicContact CD1-CE3 4.31Å; I1228-W1348 HydrophobicContact CD1-CH2 4.34Å; I1228-W1348 HydrophobicContact CD1-CZ3 3.47Å; I1228-W1348 VanDerWaalsContact CD1-CZ3 3.47Å; T1345-W1348 PolarHBondContact O-N 2.74Å; T1345-W1348 VanDerWaalsContact O-N 3.15Å; E1346-W1348 VanDerWaalsContact C-N 3.29Å; E1346-W1348 PolarHBondContact O-N 3.15Å; W1348-E1350 VanDerWaalsContact C-N 3.32Å; W1348-E1350 PolarHBondContact O-N 3.28Å; W1348-R1351 WeakPolarHBondContact O-CB 3.26Å; W1348-R1351 PolarHBondContact O-N 3.01Å; W1348-R1351 VanDerWaalsContact O-N 3.11Å; W1348-F1352 HydrophobicContact CD2-CB 4.22Å; W1348-F1352 HydrophobicContact CE3-CB 4.18Å; W1348-F1352 HydrophobicContact CH2-CB 3.91Å; W1348-F1352 HydrophobicContact CH2-CD1 4.29Å; W1348-F1352 AromaticContact CH2-CD2 3.62Å; W1348-F1352 HydrophobicContact CH2-CD2 3.62Å; W1348-F1352 VanDerWaalsContact CH2-CD2 3.41Å; W1348-F1352 HydrophobicContact CH2-CE2 4.17Å; W1348-F1352 AromaticContact CH2-CG 3.65Å; W1348-F1352 HydrophobicContact CH2-CG 3.65Å; W1348-F1352 VanDerWaalsContact CH2-CG 3.4Å; W1348-F1352 HydrophobicContact CZ2-CB 3.88Å; W1348-F1352 AromaticContact CZ2-CD2 3.58Å; W1348-F1352 HydrophobicContact CZ2-CD2 3.58Å; W1348-F1352 VanDerWaalsContact CZ2-CD2 3.49Å; W1348-F1352 HydrophobicContact CZ2-CE2 4.35Å; W1348-F1352 AromaticContact CZ2-CG 3.84Å; W1348-F1352 HydrophobicContact CZ2-CG 3.87Å; W1348-F1352 HydrophobicContact CZ3-CB 4.1Å; W1348-F1352 HydrophobicContact CZ3-CD1 4.38Å; W1348-F1352 HydrophobicContact CZ3-CD2 4.32Å; W1348-F1352 AromaticContact CZ3-CG 3.91Å; W1348-F1352 HydrophobicContact CZ3-CG 4.04Å; W1348-F1352 VanDerWaalsContact O-CB 3.25Å; W1348-F1352 WeakPolarHBondContact O-CB 3.35Å; W1348-F1352 PolarHBondContact O-N 3.13Å |
| 1349 | S | 69.6 | Low | 58.7 | Low | 25.8 Ų | 25.8 | 88.7 Ų | 88.7 | 18% | 0.18 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -57 | -44.5 | 177.5 | -41.5 | 0 | 0 | 0 | 0 | 112.5 | R1226 E1346 S1347 R1351 F1352 L1353 | R1226-S1349 VanDerWaalsContact CZ-OG 3.23Å; R1226-S1349 PolarHBondContact NH1-OG 3.08Å; R1226-S1349 VanDerWaalsContact NH2-CA 3.35Å; R1226-S1349 PolarHBondContact NH2-OG 3.19Å; E1346-S1349 WeakPolarHBondContact CA-OG 3.39Å; E1346-S1349 PolarHBondContact O-N 3.44Å; E1346-S1349 PolarHBondContact O-OG 2.9Å; S1347-S1349 PolarHBondContact O-N 3.16Å; S1347-S1349 VanDerWaalsContact O-N 3.16Å; S1347-S1349 PolarHBondContact OG-N 3.17Å; S1347-S1349 PolarHBondContact OG-OG 3.44Å; S1349-R1351 VanDerWaalsContact C-N 3.34Å; S1349-R1351 PolarHBondContact O-N 2.93Å; S1349-F1352 PolarHBondContact O-N 3.21Å; S1349-L1353 VanDerWaalsContact O-CB 3.3Å; S1349-L1353 WeakPolarHBondContact O-CB 3.4Å; S1349-L1353 VanDerWaalsContact O-CG 3.27Å; S1349-L1353 WeakPolarHBondContact O-CG 3.37Å; S1349-L1353 PolarHBondContact O-N 3.11Å |
| 1350 | E | 71.1 | Confident | 61.4 | Low | 95.8 Ų | 95.8 | 80.4 Ų | 80.4 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 178.6 | -69.3 | -101.6 | 154.9 | 0 | 0 | 111.7 | N1276 E1346 S1347 W1348 F1352 L1353 G1354 | N1276-E1350 PolarHBondContact ND2-OE1 3.19Å; N1276-E1350 PolarHBondContact ND2-OE2 3.25Å; E1346-E1350 PolarHBondContact O-N 3.16Å; S1347-E1350 WeakPolarHBondContact O-CB 3.32Å; S1347-E1350 PolarHBondContact O-N 3.08Å; W1348-E1350 VanDerWaalsContact C-N 3.32Å; W1348-E1350 PolarHBondContact O-N 3.28Å; E1350-F1352 VanDerWaalsContact C-N 3.33Å; E1350-F1352 PolarHBondContact O-N 3.45Å; E1350-L1353 PolarHBondContact O-N 3.3Å; E1350-G1354 PolarHBondContact O-N 3.09Å |
| 1351 | R | 71.5 | Confident | 64.2 | Low | 95.8 Ų | 95.8 | 73.6 Ų | 73.6 | 36% | 0.362 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.8 | -136.4 | 179.1 | 178.7 | 160.9 | 2.8 | 111.7 | L1196 E1199 K1344 E1346 S1347 W1348 S1349 G1354 L1355 | L1196-R1351 HydrophobicContact CD2-CG 4.25Å; E1199-R1351 IonicContact OE2-NH2 3.71Å; E1199-R1351 PolarHBondContact OE2-NH2 3.43Å; K1344-R1351 PolarHBondContact O-NH2 2.86Å; E1346-R1351 HydrophobicContact CB-CG 4.28Å; E1346-R1351 IonicContact OE2-CZ 2.81Å; E1346-R1351 VanDerWaalsContact OE2-CZ 3.32Å; E1346-R1351 IonicContact OE2-NE 3.11Å; E1346-R1351 PolarHBondContact OE2-NE 2.86Å; E1346-R1351 IonicContact OE2-NH2 3.88Å; E1346-R1351 PolarHBondContact OE2-NH2 3.39Å; S1347-R1351 WeakPolarHBondContact O-CB 3.38Å; S1347-R1351 PolarHBondContact O-N 3.21Å; W1348-R1351 WeakPolarHBondContact O-CB 3.26Å; W1348-R1351 PolarHBondContact O-N 3.01Å; W1348-R1351 VanDerWaalsContact O-N 3.11Å; S1349-R1351 VanDerWaalsContact C-N 3.34Å; S1349-R1351 PolarHBondContact O-N 2.93Å; R1351-G1354 PolarHBondContact O-N 2.95Å; R1351-L1355 WeakPolarHBondContact O-CG 3.27Å; R1351-L1355 PolarHBondContact O-N 3.24Å; R1351-L1355 VanDerWaalsContact O-N 3.08Å |
| 1352 | F | 77.1 | Confident | 66.8 | Low | 3.6 Ų | 3.6 | 70.2 Ų | 70.2 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -49 | 177.1 | 174 | -95.8 | 0 | 0 | 0 | 111 | V1185 V1194 I1228 L1230 W1348 S1349 E1350 G1354 L1355 V1356 V1367 A1368 | V1185-F1352 HydrophobicContact CG1-CE1 4.42Å; V1185-F1352 HydrophobicContact CG2-CE1 4.38Å; V1194-F1352 HydrophobicContact CG2-CD2 3.89Å; V1194-F1352 HydrophobicContact CG2-CE2 4.48Å; I1228-F1352 HydrophobicContact CD1-CD1 3.55Å; I1228-F1352 VanDerWaalsContact CD1-CD1 3.41Å; I1228-F1352 HydrophobicContact CD1-CE1 3.54Å; I1228-F1352 VanDerWaalsContact CD1-CE1 3.48Å; I1228-F1352 HydrophobicContact CD1-CZ 4.47Å; L1230-F1352 HydrophobicContact CD2-CE1 3.7Å; L1230-F1352 HydrophobicContact CD2-CZ 4.33Å; W1348-F1352 HydrophobicContact CD2-CB 4.22Å; W1348-F1352 HydrophobicContact CE3-CB 4.18Å; W1348-F1352 HydrophobicContact CH2-CB 3.91Å; W1348-F1352 HydrophobicContact CH2-CD1 4.29Å; W1348-F1352 AromaticContact CH2-CD2 3.62Å; W1348-F1352 HydrophobicContact CH2-CD2 3.62Å; W1348-F1352 VanDerWaalsContact CH2-CD2 3.41Å; W1348-F1352 HydrophobicContact CH2-CE2 4.17Å; W1348-F1352 AromaticContact CH2-CG 3.65Å; W1348-F1352 HydrophobicContact CH2-CG 3.65Å; W1348-F1352 VanDerWaalsContact CH2-CG 3.4Å; W1348-F1352 HydrophobicContact CZ2-CB 3.88Å; W1348-F1352 AromaticContact CZ2-CD2 3.58Å; W1348-F1352 HydrophobicContact CZ2-CD2 3.58Å; W1348-F1352 VanDerWaalsContact CZ2-CD2 3.49Å; W1348-F1352 HydrophobicContact CZ2-CE2 4.35Å; W1348-F1352 AromaticContact CZ2-CG 3.84Å; W1348-F1352 HydrophobicContact CZ2-CG 3.87Å; W1348-F1352 HydrophobicContact CZ3-CB 4.1Å; W1348-F1352 HydrophobicContact CZ3-CD1 4.38Å; W1348-F1352 HydrophobicContact CZ3-CD2 4.32Å; W1348-F1352 AromaticContact CZ3-CG 3.91Å; W1348-F1352 HydrophobicContact CZ3-CG 4.04Å; W1348-F1352 VanDerWaalsContact O-CB 3.25Å; W1348-F1352 WeakPolarHBondContact O-CB 3.35Å; W1348-F1352 PolarHBondContact O-N 3.13Å; S1349-F1352 PolarHBondContact O-N 3.21Å; E1350-F1352 VanDerWaalsContact C-N 3.33Å; E1350-F1352 PolarHBondContact O-N 3.45Å; F1352-G1354 VanDerWaalsContact C-N 3.26Å; F1352-G1354 PolarHBondContact O-N 3.2Å; F1352-L1355 WeakPolarHBondContact O-CB 3.29Å; F1352-L1355 PolarHBondContact O-N 3.1Å; F1352-L1355 VanDerWaalsContact O-N 3.07Å; F1352-V1356 HydrophobicContact CD1-CG2 4.3Å; F1352-V1356 HydrophobicContact CD2-CG1 4.24Å; F1352-V1356 HydrophobicContact CE1-CG1 4.21Å; F1352-V1356 HydrophobicContact CE1-CG2 3.9Å; F1352-V1356 HydrophobicContact CE2-CG1 3.85Å; F1352-V1356 HydrophobicContact CZ-CB 4.46Å; F1352-V1356 HydrophobicContact CZ-CG1 3.68Å; F1352-V1356 HydrophobicContact CZ-CG2 4.2Å; F1352-V1356 WeakPolarHBondContact O-CG2 3.39Å; F1352-V1356 PolarHBondContact O-N 3.13Å; F1352-V1356 VanDerWaalsContact O-N 3.12Å; F1352-V1367 HydrophobicContact CE2-CB 4.42Å; F1352-V1367 HydrophobicContact CE2-CG1 3.98Å; F1352-V1367 HydrophobicContact CZ-CG1 4.39Å; F1352-A1368 HydrophobicContact CE1-CB 4.16Å; F1352-A1368 HydrophobicContact CE2-CB 4.25Å; F1352-A1368 VanDerWaalsContact CZ-CA 3.45Å; F1352-A1368 HydrophobicContact CZ-CB 3.51Å; F1352-A1368 VanDerWaalsContact CZ-CB 3.47Å |
| 1353 | L | 79.4 | Confident | 69.4 | Low | 18.2 Ų | 18.2 | 63.8 Ų | 63.8 | 10% | 0.095 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 176.9 | -72.4 | 173.3 | 0 | 0 | 0 | 111.5 | I1228 C1229 L1230 Q1274 P1275 S1349 E1350 L1355 V1356 T1357 | I1228-L1353 HydrophobicContact CD1-CD2 4.31Å; I1228-L1353 HydrophobicContact CG2-CD2 4.14Å; C1229-L1353 WeakPolarHBondContact O-CD2 3.23Å; L1230-L1353 HydrophobicContact CD2-CD2 4.4Å; Q1274-L1353 PolarHBondContact NE2-O 2.91Å; P1275-L1353 HydrophobicContact CG-CD1 4.24Å; S1349-L1353 VanDerWaalsContact O-CB 3.3Å; S1349-L1353 WeakPolarHBondContact O-CB 3.4Å; S1349-L1353 VanDerWaalsContact O-CG 3.27Å; S1349-L1353 WeakPolarHBondContact O-CG 3.37Å; S1349-L1353 PolarHBondContact O-N 3.11Å; E1350-L1353 PolarHBondContact O-N 3.3Å; L1353-L1355 VanDerWaalsContact C-N 3.31Å; L1353-L1355 PolarHBondContact O-N 2.91Å; L1353-V1356 PolarHBondContact O-N 3.26Å; L1353-T1357 WeakPolarHBondContact O-CB 3.4Å; L1353-T1357 PolarHBondContact O-N 3.05Å; L1353-T1357 VanDerWaalsContact O-N 3.16Å; L1353-T1357 PolarHBondContact O-OG1 2.94Å; L1353-T1357 VanDerWaalsContact O-OG1 3.09Å |
| 1354 | G | 73.4 | Confident | 71.9 | Confident | 41.8 Ų | 41.8 | 57.5 Ų | 57.5 | 43% | 0.431 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1350 R1351 F1352 T1357 | E1350-G1354 PolarHBondContact O-N 3.09Å; R1351-G1354 PolarHBondContact O-N 2.95Å; F1352-G1354 VanDerWaalsContact C-N 3.26Å; F1352-G1354 PolarHBondContact O-N 3.2Å; G1354-T1357 VanDerWaalsContact C-OG1 3.27Å; G1354-T1357 WeakPolarHBondContact CA-OG1 3.2Å; G1354-T1357 PolarHBondContact O-OG1 3.11Å; G1354-T1357 VanDerWaalsContact O-OG1 3.09Å |
| 1355 | L | 73 | Confident | 74.2 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.4 | -48 | 177.7 | -165.4 | 81.7 | 0 | 0 | 0 | 111.7 | V1194 A1195 M1197 E1199 T1310 R1351 F1352 L1353 T1357 V1367 | V1194-L1355 HydrophobicContact CB-CD2 4.39Å; V1194-L1355 HydrophobicContact CG1-CD2 4.15Å; V1194-L1355 HydrophobicContact CG2-CD2 3.88Å; A1195-L1355 HydrophobicContact CB-CD2 4.35Å; A1195-L1355 WeakPolarHBondContact O-CD2 3.44Å; M1197-L1355 HydrophobicContact SD-CD2 4.02Å; E1199-L1355 HydrophobicContact CB-CD1 3.65Å; E1199-L1355 HydrophobicContact CB-CD2 3.82Å; E1199-L1355 HydrophobicContact CG-CD1 4.09Å; E1199-L1355 HydrophobicContact CG-CD2 4.03Å; E1199-L1355 WeakPolarHBondContact OE1-CD1 3.32Å; T1310-L1355 HydrophobicContact CG2-CD1 4.1Å; R1351-L1355 WeakPolarHBondContact O-CG 3.27Å; R1351-L1355 PolarHBondContact O-N 3.24Å; R1351-L1355 VanDerWaalsContact O-N 3.08Å; F1352-L1355 WeakPolarHBondContact O-CB 3.29Å; F1352-L1355 PolarHBondContact O-N 3.1Å; F1352-L1355 VanDerWaalsContact O-N 3.07Å; L1353-L1355 VanDerWaalsContact C-N 3.31Å; L1353-L1355 PolarHBondContact O-N 2.91Å; L1355-T1357 PolarHBondContact O-N 3.33Å; L1355-V1367 HydrophobicContact CD2-CG1 4.07Å; L1355-V1367 HydrophobicContact CG-CG1 4.46Å |
| 1356 | V | 79.6 | Confident | 76.5 | Confident | 0.2 Ų | 0.2 | 48.2 Ų | 48.2 | 0% | 0.001 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -86.2 | 5.6 | -173 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | L1230 R1231 F1352 L1353 Y1358 E1359 A1364 V1367 | L1230-V1356 HydrophobicContact CD2-CG2 4.41Å; R1231-V1356 PolarHBondContact NH1-O 3.08Å; R1231-V1356 PolarHBondContact NH2-O 3.02Å; F1352-V1356 HydrophobicContact CD1-CG2 4.3Å; F1352-V1356 HydrophobicContact CD2-CG1 4.24Å; F1352-V1356 HydrophobicContact CE1-CG1 4.21Å; F1352-V1356 HydrophobicContact CE1-CG2 3.9Å; F1352-V1356 HydrophobicContact CE2-CG1 3.85Å; F1352-V1356 HydrophobicContact CZ-CB 4.46Å; F1352-V1356 HydrophobicContact CZ-CG1 3.68Å; F1352-V1356 HydrophobicContact CZ-CG2 4.2Å; F1352-V1356 WeakPolarHBondContact O-CG2 3.39Å; F1352-V1356 PolarHBondContact O-N 3.13Å; F1352-V1356 VanDerWaalsContact O-N 3.12Å; L1353-V1356 PolarHBondContact O-N 3.26Å; V1356-Y1358 VanDerWaalsContact C-N 3.29Å; V1356-Y1358 PolarHBondContact O-N 3.13Å; V1356-E1359 PolarHBondContact O-N 3.19Å; V1356-A1364 HydrophobicContact CB-CB 3.68Å; V1356-A1364 HydrophobicContact CG1-CB 4.29Å; V1356-A1364 HydrophobicContact CG2-CB 4.03Å; V1356-V1367 HydrophobicContact CG1-CB 4.02Å; V1356-V1367 HydrophobicContact CG1-CG1 3.88Å |
| 1357 | T | 75.4 | Confident | 78.3 | Confident | 34.8 Ų | 34.8 | 43 Ų | 43 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -40.3 | -172.5 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | R1231 Q1274 L1353 G1354 L1355 | R1231-T1357 PolarHBondContact NH2-O 3.03Å; R1231-T1357 VanDerWaalsContact NH2-O 3.17Å; Q1274-T1357 HydrophobicContact CG-CG2 4.3Å; Q1274-T1357 VanDerWaalsContact NE2-CG2 3.27Å; Q1274-T1357 PolarHBondContact NE2-OG1 3.09Å; L1353-T1357 WeakPolarHBondContact O-CB 3.4Å; L1353-T1357 PolarHBondContact O-N 3.05Å; L1353-T1357 VanDerWaalsContact O-N 3.16Å; L1353-T1357 PolarHBondContact O-OG1 2.94Å; L1353-T1357 VanDerWaalsContact O-OG1 3.09Å; G1354-T1357 VanDerWaalsContact C-OG1 3.27Å; G1354-T1357 WeakPolarHBondContact CA-OG1 3.2Å; G1354-T1357 PolarHBondContact O-OG1 3.11Å; G1354-T1357 VanDerWaalsContact O-OG1 3.09Å; L1355-T1357 PolarHBondContact O-N 3.33Å |
| 1358 | Y | 74.4 | Confident | 79.5 | Confident | 181.6 Ų | 181.6 | 39.8 Ų | 39.8 | 71% | 0.712 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -96.5 | -5.1 | -173.9 | -57.9 | -73.6 | 0 | 0 | 0 | 113.2 | V1356 | V1356-Y1358 VanDerWaalsContact C-N 3.29Å; V1356-Y1358 PolarHBondContact O-N 3.13Å |
| 1359 | E | 79.8 | Confident | 80.5 | Confident | 56.4 Ų | 56.4 | 39.3 Ų | 39.3 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -80.4 | 157.1 | 176.2 | -63.4 | -175.1 | 161.3 | 0 | 0 | 111 | R1231 V1356 D1363 A1364 V1367 | R1231-E1359 PolarHBondContact NH2-O 2.97Å; R1231-E1359 VanDerWaalsContact NH2-O 3.08Å; V1356-E1359 PolarHBondContact O-N 3.19Å; E1359-D1363 HydrophobicContact CB-CB 4.09Å; E1359-A1364 HydrophobicContact CB-CB 4.45Å; E1359-V1367 WeakPolarHBondContact OE2-CG2 3.34Å |
| 1360 | G | 85.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -61.6 | 153.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1270 F1362 D1363 A1364 | W1270-G1360 VanDerWaalsContact CE3-CA 3.44Å; W1270-G1360 VanDerWaalsContact CH2-CA 3.46Å; W1270-G1360 VanDerWaalsContact CZ3-N 3.32Å; G1360-F1362 VanDerWaalsContact C-N 3.27Å; G1360-F1362 PolarHBondContact O-N 3.13Å; G1360-F1362 VanDerWaalsContact O-N 3.16Å; G1360-D1363 PolarHBondContact O-N 3.19Å; G1360-D1363 VanDerWaalsContact O-N 3.13Å; G1360-A1364 VanDerWaalsContact O-CB 3.25Å; G1360-A1364 WeakPolarHBondContact O-CB 3.35Å; G1360-A1364 PolarHBondContact O-N 3.33Å | ||
| 1361 | L | 89.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.9 | -41.9 | -178.4 | 178.7 | 66.4 | 0 | 0 | 0 | 112.9 | L1170 L1181 L1230 R1231 W1250 Q1269 A1365 | L1170-L1361 HydrophobicContact CD1-CD1 4.34Å; L1170-L1361 HydrophobicContact CD1-CD2 3.97Å; L1170-L1361 HydrophobicContact CD1-CG 3.8Å; L1170-L1361 HydrophobicContact CD2-CD1 3.93Å; L1170-L1361 HydrophobicContact CD2-CD2 4Å; L1170-L1361 HydrophobicContact CD2-CG 3.7Å; L1181-L1361 HydrophobicContact CB-CD1 4.32Å; L1181-L1361 HydrophobicContact CD1-CD1 4.39Å; L1181-L1361 HydrophobicContact CD1-CD2 4.14Å; L1181-L1361 HydrophobicContact CD2-CD1 4.03Å; L1181-L1361 HydrophobicContact CD2-CD2 3.43Å; L1181-L1361 VanDerWaalsContact CD2-CD2 3.43Å; L1181-L1361 HydrophobicContact CD2-CG 4.38Å; L1230-L1361 HydrophobicContact CB-CD1 4.32Å; L1230-L1361 HydrophobicContact CD1-CD1 4.31Å; R1231-L1361 HydrophobicContact CB-CD1 4.39Å; R1231-L1361 HydrophobicContact CG-CD1 3.89Å; W1250-L1361 HydrophobicContact CH2-CD2 3.68Å; W1250-L1361 HydrophobicContact CZ2-CD2 4.29Å; W1250-L1361 HydrophobicContact CZ3-CD2 4.42Å; Q1269-L1361 HydrophobicContact CB-CB 3.98Å; Q1269-L1361 PolarHBondContact O-N 3.03Å; Q1269-L1361 VanDerWaalsContact O-N 3.08Å; L1361-A1365 WeakPolarHBondContact O-CB 3.24Å; L1361-A1365 PolarHBondContact O-N 3.13Å; L1361-A1365 VanDerWaalsContact O-N 3.08Å |
| 1362 | F | 89.6 | Confident | 82.7 | Confident | 25.8 Ų | 25.8 | 33.6 Ų | 33.6 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.1 | -35.3 | -179.8 | -58.1 | -68.1 | 0 | 0 | 0 | 112.6 | I1162 A1164 L1170 W1250 Q1269 G1360 A1364 A1365 R1366 | I1162-F1362 HydrophobicContact CD1-CE1 3.95Å; I1162-F1362 HydrophobicContact CD1-CZ 3.49Å; I1162-F1362 VanDerWaalsContact CD1-CZ 3.47Å; I1162-F1362 HydrophobicContact CG1-CE1 4.02Å; I1162-F1362 HydrophobicContact CG1-CZ 4.02Å; I1162-F1362 HydrophobicContact CG2-CE1 4.21Å; I1162-F1362 HydrophobicContact CG2-CZ 4.29Å; A1164-F1362 HydrophobicContact CB-CB 4.49Å; A1164-F1362 HydrophobicContact CB-CD1 4.01Å; A1164-F1362 HydrophobicContact CB-CE1 4.42Å; A1164-F1362 HydrophobicContact CB-CG 4.47Å; L1170-F1362 HydrophobicContact CD1-CD1 3.87Å; L1170-F1362 HydrophobicContact CD1-CE1 3.98Å; W1250-F1362 HydrophobicContact CZ3-CZ 4.27Å; Q1269-F1362 HydrophobicContact CB-CD2 4.13Å; Q1269-F1362 HydrophobicContact CB-CE2 3.94Å; Q1269-F1362 HydrophobicContact CG-CE2 4.46Å; Q1269-F1362 VanDerWaalsContact OE1-CD2 3.25Å; G1360-F1362 VanDerWaalsContact C-N 3.27Å; G1360-F1362 PolarHBondContact O-N 3.13Å; G1360-F1362 VanDerWaalsContact O-N 3.16Å; F1362-A1364 VanDerWaalsContact C-N 3.33Å; F1362-A1364 PolarHBondContact O-N 2.8Å; F1362-A1365 WeakPolarHBondContact O-CB 3.4Å; F1362-A1365 PolarHBondContact O-N 3.15Å; F1362-R1366 WeakPolarHBondContact O-CB 3.45Å; F1362-R1366 PolarHBondContact O-N 3.13Å |
| 1363 | D | 86.6 | Confident | 83.2 | Confident | 59.4 Ų | 59.4 | 34.8 Ų | 34.8 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.7 | -45 | 172.4 | -66.3 | -38.9 | 0 | 0 | 0 | 110.3 | E1359 G1360 A1365 R1366 V1367 | E1359-D1363 HydrophobicContact CB-CB 4.09Å; G1360-D1363 PolarHBondContact O-N 3.19Å; G1360-D1363 VanDerWaalsContact O-N 3.13Å; D1363-A1365 VanDerWaalsContact C-N 3.31Å; D1363-A1365 PolarHBondContact O-N 3.1Å; D1363-R1366 WeakPolarHBondContact O-CB 3.33Å; D1363-R1366 PolarHBondContact O-N 3.09Å; D1363-R1366 VanDerWaalsContact O-N 3.12Å; D1363-R1366 IonicContact OD1-CZ 2.69Å; D1363-R1366 IonicContact OD1-NH1 3.1Å; D1363-R1366 PolarHBondContact OD1-NH1 3.39Å; D1363-V1367 WeakPolarHBondContact O-CG2 3.4Å; D1363-V1367 PolarHBondContact O-N 3.16Å |
| 1364 | A | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1230 V1356 E1359 G1360 F1362 V1367 A1368 | L1230-A1364 HydrophobicContact CD1-CB 4.16Å; V1356-A1364 HydrophobicContact CB-CB 3.68Å; V1356-A1364 HydrophobicContact CG1-CB 4.29Å; V1356-A1364 HydrophobicContact CG2-CB 4.03Å; E1359-A1364 HydrophobicContact CB-CB 4.45Å; G1360-A1364 VanDerWaalsContact O-CB 3.25Å; G1360-A1364 WeakPolarHBondContact O-CB 3.35Å; G1360-A1364 PolarHBondContact O-N 3.33Å; F1362-A1364 VanDerWaalsContact C-N 3.33Å; F1362-A1364 PolarHBondContact O-N 2.8Å; A1364-V1367 PolarHBondContact O-N 3.11Å; A1364-A1368 WeakPolarHBondContact O-CB 3.2Å; A1364-A1368 PolarHBondContact O-N 3.04Å; A1364-A1368 VanDerWaalsContact O-N 3.12Å |
| 1365 | A | 88.7 | Confident | 84.5 | Confident | 5.4 Ų | 5.4 | 34.1 Ų | 34.1 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1170 A1183 L1230 L1361 F1362 D1363 V1367 A1368 M1369 | L1170-A1365 HydrophobicContact CD1-CB 4.23Å; L1170-A1365 HydrophobicContact CD2-CB 3.85Å; L1170-A1365 HydrophobicContact CG-CB 4.29Å; A1183-A1365 HydrophobicContact CB-CB 4.07Å; L1230-A1365 HydrophobicContact CD1-CB 4.09Å; L1361-A1365 WeakPolarHBondContact O-CB 3.24Å; L1361-A1365 PolarHBondContact O-N 3.13Å; L1361-A1365 VanDerWaalsContact O-N 3.08Å; F1362-A1365 WeakPolarHBondContact O-CB 3.4Å; F1362-A1365 PolarHBondContact O-N 3.15Å; D1363-A1365 VanDerWaalsContact C-N 3.31Å; D1363-A1365 PolarHBondContact O-N 3.1Å; A1365-V1367 VanDerWaalsContact C-N 3.3Å; A1365-V1367 PolarHBondContact O-N 3.01Å; A1365-A1368 WeakPolarHBondContact O-CA 3.31Å; A1365-A1368 VanDerWaalsContact O-CB 3.26Å; A1365-A1368 WeakPolarHBondContact O-CB 3.36Å; A1365-A1368 PolarHBondContact O-N 3.1Å; A1365-A1368 VanDerWaalsContact O-N 3.09Å; A1365-M1369 PolarHBondContact O-N 3.23Å |
| 1366 | R | 86.2 | Confident | 85.4 | Confident | 92.6 Ų | 92.6 | 32.5 Ų | 32.5 | 35% | 0.349 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.4 | -34.2 | 175.2 | -173.2 | 178.5 | -167.1 | 166.9 | 1.7 | 112.3 | F1362 D1363 A1368 M1369 P1370 E2096 | F1362-R1366 WeakPolarHBondContact O-CB 3.45Å; F1362-R1366 PolarHBondContact O-N 3.13Å; D1363-R1366 WeakPolarHBondContact O-CB 3.33Å; D1363-R1366 PolarHBondContact O-N 3.09Å; D1363-R1366 VanDerWaalsContact O-N 3.12Å; D1363-R1366 IonicContact OD1-CZ 2.69Å; D1363-R1366 IonicContact OD1-NH1 3.1Å; D1363-R1366 PolarHBondContact OD1-NH1 3.39Å; R1366-A1368 VanDerWaalsContact C-N 3.29Å; R1366-M1369 CarbonylContact O-C 3.51Å; R1366-M1369 VanDerWaalsContact O-C 3.25Å; R1366-P1370 VanDerWaalsContact O-CA 3.26Å; R1366-P1370 WeakPolarHBondContact O-CA 3.33Å; R1366-P1370 VanDerWaalsContact O-N 3.12Å; R1366-E2096 IonicContact CZ-OE1 3.67Å; R1366-E2096 IonicContact CZ-OE2 2.89Å; R1366-E2096 IonicContact NE-OE1 3.72Å; R1366-E2096 PolarHBondContact NE-OE1 2.84Å; R1366-E2096 IonicContact NH2-OE1 3.76Å; R1366-E2096 PolarHBondContact NH2-OE1 2.98Å; R1366-E2096 IonicContact NH2-OE2 2.83Å; R1366-E2096 PolarHBondContact NH2-OE2 3.24Å |
| 1367 | V | 84 | Confident | 85.9 | Confident | 10.8 Ų | 10.8 | 32.5 Ų | 32.5 | 7% | 0.065 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73 | -26 | 173 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | F1193 A1195 K1198 F1352 L1355 V1356 E1359 D1363 A1364 A1365 P1370 | F1193-V1367 HydrophobicContact CD1-CG1 3.99Å; F1193-V1367 HydrophobicContact CE1-CB 4.4Å; F1193-V1367 HydrophobicContact CE1-CG1 3.95Å; F1193-V1367 HydrophobicContact CE1-CG2 4.14Å; A1195-V1367 HydrophobicContact CB-CG1 3.87Å; A1195-V1367 WeakPolarHBondContact CB-O 3.31Å; K1198-V1367 HydrophobicContact CD-CG2 4.12Å; F1352-V1367 HydrophobicContact CE2-CB 4.42Å; F1352-V1367 HydrophobicContact CE2-CG1 3.98Å; F1352-V1367 HydrophobicContact CZ-CG1 4.39Å; L1355-V1367 HydrophobicContact CD2-CG1 4.07Å; L1355-V1367 HydrophobicContact CG-CG1 4.46Å; V1356-V1367 HydrophobicContact CG1-CB 4.02Å; V1356-V1367 HydrophobicContact CG1-CG1 3.88Å; E1359-V1367 WeakPolarHBondContact OE2-CG2 3.34Å; D1363-V1367 WeakPolarHBondContact O-CG2 3.4Å; D1363-V1367 PolarHBondContact O-N 3.16Å; A1364-V1367 PolarHBondContact O-N 3.11Å; A1365-V1367 VanDerWaalsContact C-N 3.3Å; A1365-V1367 PolarHBondContact O-N 3.01Å; V1367-P1370 WeakPolarHBondContact O-CD 3.44Å |
| 1368 | A | 84.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.9 | -36.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1185 A1186 I1228 F1352 A1364 A1365 R1366 | V1185-A1368 HydrophobicContact CB-CB 4.4Å; V1185-A1368 HydrophobicContact CG1-CB 4.32Å; V1185-A1368 HydrophobicContact CG2-CB 4.11Å; A1186-A1368 PolarHBondContact N-O 3.21Å; A1186-A1368 VanDerWaalsContact N-O 3.08Å; I1228-A1368 HydrophobicContact CD1-CB 4.5Å; F1352-A1368 HydrophobicContact CE1-CB 4.16Å; F1352-A1368 HydrophobicContact CE2-CB 4.25Å; F1352-A1368 VanDerWaalsContact CZ-CA 3.45Å; F1352-A1368 HydrophobicContact CZ-CB 3.51Å; F1352-A1368 VanDerWaalsContact CZ-CB 3.47Å; A1364-A1368 WeakPolarHBondContact O-CB 3.2Å; A1364-A1368 PolarHBondContact O-N 3.04Å; A1364-A1368 VanDerWaalsContact O-N 3.12Å; A1365-A1368 WeakPolarHBondContact O-CA 3.31Å; A1365-A1368 VanDerWaalsContact O-CB 3.26Å; A1365-A1368 WeakPolarHBondContact O-CB 3.36Å; A1365-A1368 PolarHBondContact O-N 3.1Å; A1365-A1368 VanDerWaalsContact O-N 3.09Å; R1366-A1368 VanDerWaalsContact C-N 3.29Å |
| 1369 | M | 85.3 | Confident | 87.2 | Confident | 40.6 Ų | 40.6 | 26.4 Ų | 26.4 | 20% | 0.2 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -128.3 | 72.4 | 175.8 | -132.7 | 178.6 | 66.3 | 0 | 0 | 110.6 | S1168 P1184 A1186 V1225 A1365 R1366 L1371 | S1168-M1369 VanDerWaalsContact CB-CE 3.46Å; P1184-M1369 HydrophobicContact CB-CE 3.51Å; P1184-M1369 HydrophobicContact CB-SD 4.01Å; P1184-M1369 HydrophobicContact CG-CE 4Å; P1184-M1369 HydrophobicContact CG-SD 3.81Å; P1184-M1369 WeakPolarHBondContact O-CG 3.41Å; A1186-M1369 HydrophobicContact CB-CG 4.34Å; V1225-M1369 HydrophobicContact CG1-CE 4.44Å; V1225-M1369 HydrophobicContact CG2-CE 4.38Å; A1365-M1369 PolarHBondContact O-N 3.23Å; R1366-M1369 CarbonylContact O-C 3.51Å; R1366-M1369 VanDerWaalsContact O-C 3.25Å; M1369-L1371 PolarHBondContact O-N 2.8Å |
| 1370 | P | 84.7 | Confident | 87.7 | Confident | 7.8 Ų | 7.8 | 23.7 Ų | 23.7 | 5% | 0.051 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 143.2 | -177.5 | 30.1 | -34.3 | 0 | 0 | 0 | 111.1 | V1189 Q1191 F1193 V1194 A1195 R1366 V1367 | V1189-P1370 HydrophobicContact CG1-CG 3.89Å; Q1191-P1370 HydrophobicContact CB-CG 3.9Å; Q1191-P1370 HydrophobicContact CG-CG 4.4Å; Q1191-P1370 WeakPolarHBondContact CG-O 3.32Å; Q1191-P1370 PolarHBondContact NE2-O 3.19Å; Q1191-P1370 VanDerWaalsContact O-CG 3.24Å; Q1191-P1370 WeakPolarHBondContact O-CG 3.4Å; F1193-P1370 HydrophobicContact CB-CB 4.12Å; F1193-P1370 HydrophobicContact CB-CG 3.71Å; F1193-P1370 HydrophobicContact CD1-CB 4.15Å; F1193-P1370 HydrophobicContact CD1-CG 4.44Å; F1193-P1370 HydrophobicContact CD2-CB 3.74Å; F1193-P1370 HydrophobicContact CD2-CG 4.26Å; F1193-P1370 HydrophobicContact CE2-CB 4.17Å; F1193-P1370 HydrophobicContact CG-CB 3.73Å; F1193-P1370 HydrophobicContact CG-CG 3.89Å; V1194-P1370 HydrophobicContact CB-CB 4.26Å; V1194-P1370 HydrophobicContact CB-CG 4.18Å; V1194-P1370 HydrophobicContact CG1-CB 3.83Å; V1194-P1370 HydrophobicContact CG1-CG 4.29Å; A1195-P1370 HydrophobicContact CB-CG 4.28Å; R1366-P1370 VanDerWaalsContact O-CA 3.26Å; R1366-P1370 WeakPolarHBondContact O-CA 3.33Å; R1366-P1370 VanDerWaalsContact O-N 3.12Å; V1367-P1370 WeakPolarHBondContact O-CD 3.44Å |
| 1371 | L | 85.4 | Confident | 87.8 | Confident | 70.4 Ų | 70.4 | 25.1 Ų | 25.1 | 37% | 0.369 | 12% | 0.121 | S | C | . | . | P | Polyproline II helix | trans | -76.4 | 141.1 | 170.4 | -64.3 | 177.2 | 0 | 0 | 0 | 110.2 | D1166 M1369 P1946 K2092 E2096 | D1166-L1371 HydrophobicContact CB-CD1 3.72Å; D1166-L1371 HydrophobicContact CB-CG 4.36Å; M1369-L1371 PolarHBondContact O-N 2.8Å; L1371-P1946 HydrophobicContact CD1-CG 4.34Å; L1371-P1946 HydrophobicContact CD2-CG 3.88Å; L1371-K2092 HydrophobicContact CD1-CB 3.91Å; L1371-K2092 WeakPolarHBondContact CD1-O 3.32Å; L1371-K2092 HydrophobicContact CD2-CB 4.35Å; L1371-K2092 HydrophobicContact CD2-CD 4.14Å; L1371-E2096 HydrophobicContact CB-CG 4.36Å; L1371-E2096 HydrophobicContact CD1-CB 4.36Å; L1371-E2096 HydrophobicContact CD1-CG 3.38Å; L1371-E2096 HydrophobicContact CG-CG 4.16Å |
| 1372 | L | 87.4 | Confident | 87.7 | Confident | 20.6 Ų | 20.6 | 27.3 Ų | 27.3 | 11% | 0.108 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 141.9 | 171.1 | -61.2 | -178.7 | 0 | 0 | 0 | 109.3 | A1190 Q1191 V1194 T1216 H1376 R1378 Q1379 C1943 G1944 | A1190-L1372 HydrophobicContact CB-CD1 4.24Å; A1190-L1372 HydrophobicContact CB-CD2 3.73Å; Q1191-L1372 HydrophobicContact CG-CD2 3.97Å; Q1191-L1372 HydrophobicContact CG-CG 4.34Å; V1194-L1372 HydrophobicContact CG2-CD2 4.1Å; T1216-L1372 HydrophobicContact CG2-CD2 4.09Å; L1372-H1376 HydrophobicContact CB-CB 4.06Å; L1372-R1378 HydrophobicContact CD1-CB 4.48Å; L1372-Q1379 HydrophobicContact CB-CG 4.25Å; L1372-Q1379 HydrophobicContact CD1-CG 4.45Å; L1372-Q1379 PolarHBondContact O-NE2 2.67Å; L1372-C1943 WeakPolarHBondContact CD1-O 3.32Å; L1372-G1944 PolarHBondContact N-O 3.07Å |
| 1373 | P | 88.3 | Confident | 87.6 | Confident | 29.4 Ų | 29.4 | 26.7 Ų | 26.7 | 19% | 0.191 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 146 | 172.3 | -23 | 31.9 | 0 | 0 | 0 | 111.3 | Y1375 H1376 Q1379 | P1373-Y1375 HydrophobicContact CB-CD1 4.07Å; P1373-Y1375 HydrophobicContact CB-CD2 4.17Å; P1373-Y1375 HydrophobicContact CB-CE1 3.61Å; P1373-Y1375 HydrophobicContact CB-CE2 3.73Å; P1373-Y1375 HydrophobicContact CB-CG 4.33Å; P1373-Y1375 VanDerWaalsContact CB-CZ 3.42Å; P1373-Y1375 HydrophobicContact CG-CE2 4.26Å; P1373-Y1375 PolarHBondContact O-N 3.1Å; P1373-Y1375 VanDerWaalsContact O-N 3.1Å; P1373-H1376 WeakPolarHBondContact O-CA 3.38Å; P1373-H1376 WeakPolarHBondContact O-CB 3.26Å; P1373-H1376 PolarHBondContact O-N 3.11Å; P1373-Q1379 PolarHBondContact O-OE1 3.26Å; P1373-Q1379 VanDerWaalsContact O-OE1 3.14Å |
| 1374 | Q | 90 | Very high | 87.5 | Confident | 29.8 Ų | 29.8 | 25 Ų | 25 | 14% | 0.139 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32.7 | -178.5 | -74.4 | -177.4 | -13.4 | 0 | 0 | 113.7 | H1376 L1380 I1395 P1459 L1460 | Q1374-H1376 VanDerWaalsContact C-N 3.26Å; Q1374-H1376 PolarHBondContact O-N 3.29Å; Q1374-L1380 WeakPolarHBondContact O-CD2 3.46Å; Q1374-I1395 HydrophobicContact CB-CD1 4.47Å; Q1374-I1395 HydrophobicContact CB-CG2 4.25Å; Q1374-P1459 VanDerWaalsContact CD-CB 3.48Å; Q1374-P1459 HydrophobicContact CG-CB 3.94Å; Q1374-L1460 PolarHBondContact NE2-O 3.2Å; Q1374-L1460 PolarHBondContact OE1-O 3.18Å |
| 1375 | Y | 90.7 | Very high | 87.3 | Confident | 13.8 Ų | 13.8 | 29.8 Ų | 29.8 | 5% | 0.054 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4 | 177.2 | 56.9 | -99.8 | 0 | 0 | 0 | 113.6 | P1373 M1399 I1457 L1544 P1545 L1547 L1555 | P1373-Y1375 HydrophobicContact CB-CD1 4.07Å; P1373-Y1375 HydrophobicContact CB-CD2 4.17Å; P1373-Y1375 HydrophobicContact CB-CE1 3.61Å; P1373-Y1375 HydrophobicContact CB-CE2 3.73Å; P1373-Y1375 HydrophobicContact CB-CG 4.33Å; P1373-Y1375 VanDerWaalsContact CB-CZ 3.42Å; P1373-Y1375 HydrophobicContact CG-CE2 4.26Å; P1373-Y1375 PolarHBondContact O-N 3.1Å; P1373-Y1375 VanDerWaalsContact O-N 3.1Å; Y1375-M1399 HydrophobicContact CD1-SD 4.44Å; Y1375-M1399 HydrophobicContact CD2-SD 4.19Å; Y1375-M1399 HydrophobicContact CG-SD 3.87Å; Y1375-I1457 HydrophobicContact CE1-CB 4Å; Y1375-I1457 HydrophobicContact CE1-CD1 4.3Å; Y1375-I1457 HydrophobicContact CE1-CG2 4.31Å; Y1375-L1544 HydrophobicContact CD2-CD1 4.12Å; Y1375-L1544 HydrophobicContact CE2-CB 4.04Å; Y1375-L1544 HydrophobicContact CE2-CD1 4.1Å; Y1375-P1545 WeakPolarHBondContact OH-CD 3.41Å; Y1375-P1545 VanDerWaalsContact OH-CG 3.3Å; Y1375-P1545 WeakPolarHBondContact OH-CG 3.28Å; Y1375-P1545 PolarHBondContact OH-O 3.03Å; Y1375-L1547 HydrophobicContact CD2-CD1 3.83Å; Y1375-L1547 HydrophobicContact CD2-CD2 4.44Å; Y1375-L1547 HydrophobicContact CD2-CG 4.31Å; Y1375-L1547 HydrophobicContact CE2-CD1 3.76Å; Y1375-L1547 HydrophobicContact CE2-CD2 4.26Å; Y1375-L1547 HydrophobicContact CE2-CG 3.9Å; Y1375-L1555 WeakPolarHBondContact O-CD1 3.31Å |
| 1376 | H | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -63.9 | 131.2 | 179.6 | -171.7 | -79.4 | 0 | 0 | 0 | 110.2 | T1216 L1372 P1373 Q1374 R1378 Q1379 L1380 L1547 | T1216-H1376 VanDerWaalsContact CB-NE2 3.34Å; T1216-H1376 WeakPolarHBondContact CB-NE2 3.24Å; T1216-H1376 PolarHBondContact OG1-CE1 3.05Å; T1216-H1376 VanDerWaalsContact OG1-CE1 3.24Å; T1216-H1376 PolarHBondContact OG1-NE2 3.09Å; L1372-H1376 HydrophobicContact CB-CB 4.06Å; P1373-H1376 WeakPolarHBondContact O-CA 3.38Å; P1373-H1376 WeakPolarHBondContact O-CB 3.26Å; P1373-H1376 PolarHBondContact O-N 3.11Å; Q1374-H1376 VanDerWaalsContact C-N 3.26Å; Q1374-H1376 PolarHBondContact O-N 3.29Å; H1376-R1378 VanDerWaalsContact C-N 3.26Å; H1376-R1378 VanDerWaalsContact ND1-CB 3.33Å; H1376-R1378 WeakPolarHBondContact ND1-CB 3.41Å; H1376-R1378 PolarHBondContact ND1-N 3.06Å; H1376-R1378 VanDerWaalsContact ND1-N 3.15Å; H1376-R1378 PolarHBondContact O-N 3.24Å; H1376-R1378 VanDerWaalsContact O-N 3.13Å; H1376-Q1379 WeakPolarHBondContact O-CB 3.34Å; H1376-Q1379 PolarHBondContact O-N 3.08Å; H1376-L1380 PolarHBondContact O-N 3.05Å; H1376-L1380 VanDerWaalsContact O-N 3.14Å; H1376-L1547 HydrophobicContact CB-CD2 4.28Å; H1376-L1547 VanDerWaalsContact CD2-CD2 3.45Å; H1376-L1547 WeakPolarHBondContact CD2-CD2 3.42Å | ||
| 1377 | P | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60 | -32.7 | -170.4 | 24 | -36.2 | 0 | 0 | 0 | 113 | I1217 Q1379 L1380 I1381 L1547 D1551 H1554 I1558 | I1217-P1377 HydrophobicContact CD1-CB 3.91Å; I1217-P1377 HydrophobicContact CD1-CG 3.88Å; I1217-P1377 HydrophobicContact CG1-CB 4.37Å; I1217-P1377 HydrophobicContact CG1-CG 4.25Å; P1377-Q1379 VanDerWaalsContact C-N 3.32Å; P1377-Q1379 PolarHBondContact O-N 3.05Å; P1377-L1380 PolarHBondContact O-N 3.13Å; P1377-I1381 WeakPolarHBondContact O-CB 3.32Å; P1377-I1381 WeakPolarHBondContact O-CD1 3.41Å; P1377-I1381 WeakPolarHBondContact O-CG1 3.33Å; P1377-I1381 PolarHBondContact O-N 3.22Å; P1377-L1547 HydrophobicContact CG-CD2 4.21Å; P1377-D1551 HydrophobicContact CG-CB 3.81Å; P1377-D1551 WeakPolarHBondContact CG-O 3.47Å; P1377-H1554 HydrophobicContact CB-CB 3.8Å; P1377-H1554 HydrophobicContact CG-CB 4.16Å; P1377-I1558 HydrophobicContact CB-CD1 3.58Å; P1377-I1558 VanDerWaalsContact CB-CD1 3.49Å; P1377-I1558 WeakPolarHBondContact O-CD1 3.2Å |
| 1378 | R | 86.8 | Confident | 86.7 | Confident | 60.2 Ų | 60.2 | 29 Ų | 29 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.8 | -46.5 | 173.1 | -173.2 | 176.9 | 179.2 | 158.7 | -3.4 | 112.4 | D1188 T1216 I1217 A1219 L1372 H1376 I1381 E1382 C1943 | D1188-R1378 IonicContact OD1-CZ 3.47Å; D1188-R1378 IonicContact OD1-NH1 3.31Å; D1188-R1378 PolarHBondContact OD1-NH1 2.97Å; D1188-R1378 IonicContact OD2-CZ 3.15Å; D1188-R1378 IonicContact OD2-NE 3.94Å; D1188-R1378 IonicContact OD2-NH1 3.71Å; D1188-R1378 PolarHBondContact OD2-NH1 2.97Å; D1188-R1378 IonicContact OD2-NH2 2.58Å; D1188-R1378 PolarHBondContact OD2-NH2 3.21Å; T1216-R1378 PolarHBondContact O-NH1 2.9Å; I1217-R1378 HydrophobicContact CG1-CB 4.44Å; A1219-R1378 PolarHBondContact O-NH1 3.06Å; L1372-R1378 HydrophobicContact CD1-CB 4.48Å; H1376-R1378 VanDerWaalsContact C-N 3.26Å; H1376-R1378 VanDerWaalsContact ND1-CB 3.33Å; H1376-R1378 WeakPolarHBondContact ND1-CB 3.41Å; H1376-R1378 PolarHBondContact ND1-N 3.06Å; H1376-R1378 VanDerWaalsContact ND1-N 3.15Å; H1376-R1378 PolarHBondContact O-N 3.24Å; H1376-R1378 VanDerWaalsContact O-N 3.13Å; R1378-I1381 PolarHBondContact O-N 3.11Å; R1378-E1382 WeakPolarHBondContact O-CG 3.3Å; R1378-E1382 PolarHBondContact O-N 3.22Å; R1378-E1382 VanDerWaalsContact O-N 3.1Å; R1378-C1943 PolarHBondContact NH2-SG 3.17Å |
| 1379 | Q | 89.7 | Confident | 86.6 | Confident | 28.6 Ų | 28.6 | 29.2 Ų | 29.2 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 179.2 | -164.5 | 168 | -30.9 | 0 | 0 | 110.9 | L1372 P1373 H1376 P1377 I1381 E1382 L1383 L1948 | L1372-Q1379 HydrophobicContact CB-CG 4.25Å; L1372-Q1379 HydrophobicContact CD1-CG 4.45Å; L1372-Q1379 PolarHBondContact O-NE2 2.67Å; P1373-Q1379 PolarHBondContact O-OE1 3.26Å; P1373-Q1379 VanDerWaalsContact O-OE1 3.14Å; H1376-Q1379 WeakPolarHBondContact O-CB 3.34Å; H1376-Q1379 PolarHBondContact O-N 3.08Å; P1377-Q1379 VanDerWaalsContact C-N 3.32Å; P1377-Q1379 PolarHBondContact O-N 3.05Å; Q1379-I1381 VanDerWaalsContact C-N 3.35Å; Q1379-I1381 PolarHBondContact O-N 2.93Å; Q1379-E1382 PolarHBondContact O-N 3.21Å; Q1379-L1383 HydrophobicContact CG-CD1 4.27Å; Q1379-L1383 WeakPolarHBondContact O-CG 3.37Å; Q1379-L1383 PolarHBondContact O-N 3.05Å; Q1379-L1948 HydrophobicContact CG-CD1 4.42Å |
| 1380 | L | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 178.6 | -59.3 | -175.4 | 0 | 0 | 0 | 112.3 | Q1374 H1376 P1377 E1382 L1383 L1384 V1392 I1395 L1396 L1555 I1558 | Q1374-L1380 WeakPolarHBondContact O-CD2 3.46Å; H1376-L1380 PolarHBondContact O-N 3.05Å; H1376-L1380 VanDerWaalsContact O-N 3.14Å; P1377-L1380 PolarHBondContact O-N 3.13Å; L1380-E1382 VanDerWaalsContact C-N 3.34Å; L1380-E1382 PolarHBondContact O-N 2.92Å; L1380-L1383 HydrophobicContact CD2-CD1 4.42Å; L1380-L1383 PolarHBondContact O-N 3.23Å; L1380-L1384 VanDerWaalsContact O-CG 3.3Å; L1380-L1384 WeakPolarHBondContact O-CG 3.27Å; L1380-L1384 PolarHBondContact O-N 3.31Å; L1380-V1392 HydrophobicContact CB-CG1 4.36Å; L1380-V1392 HydrophobicContact CB-CG2 4.48Å; L1380-V1392 HydrophobicContact CD1-CG1 4.46Å; L1380-V1392 HydrophobicContact CD2-CG1 4.19Å; L1380-V1392 HydrophobicContact CD2-CG2 4.25Å; L1380-I1395 HydrophobicContact CD2-CB 4.31Å; L1380-I1395 HydrophobicContact CD2-CD1 3.96Å; L1380-I1395 HydrophobicContact CD2-CG2 4.03Å; L1380-L1396 HydrophobicContact CD1-CD2 3.95Å; L1380-L1396 HydrophobicContact CD1-CG 4.46Å; L1380-L1555 HydrophobicContact CD1-CD1 3.52Å; L1380-L1555 VanDerWaalsContact CD1-CD1 3.46Å; L1380-I1558 HydrophobicContact CB-CD1 4.04Å; L1380-I1558 HydrophobicContact CB-CG2 4.16Å; L1380-I1558 HydrophobicContact CD1-CG2 4.23Å |
| 1381 | I | 87.5 | Confident | 86.6 | Confident | 28.6 Ų | 28.6 | 28.9 Ų | 28.9 | 15% | 0.147 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.9 | -71.9 | 162.9 | 0 | 0 | 0 | 110.7 | I1217 P1377 R1378 Q1379 L1384 R1385 I1558 | I1217-I1381 HydrophobicContact CD1-CD1 4.08Å; P1377-I1381 WeakPolarHBondContact O-CB 3.32Å; P1377-I1381 WeakPolarHBondContact O-CD1 3.41Å; P1377-I1381 WeakPolarHBondContact O-CG1 3.33Å; P1377-I1381 PolarHBondContact O-N 3.22Å; R1378-I1381 PolarHBondContact O-N 3.11Å; Q1379-I1381 VanDerWaalsContact C-N 3.35Å; Q1379-I1381 PolarHBondContact O-N 2.93Å; I1381-L1384 PolarHBondContact O-N 3.05Å; I1381-R1385 HydrophobicContact CG2-CG 4.47Å; I1381-R1385 VanDerWaalsContact O-CG 3.3Å; I1381-R1385 WeakPolarHBondContact O-CG 3.37Å; I1381-R1385 PolarHBondContact O-N 3.04Å; I1381-I1558 HydrophobicContact CD1-CD1 4.09Å; I1381-I1558 HydrophobicContact CG1-CD1 3.65Å; I1381-I1558 HydrophobicContact CG1-CG1 4.08Å |
| 1382 | E | 87.2 | Confident | 86.8 | Confident | 47.2 Ų | 47.2 | 25.6 Ų | 25.6 | 22% | 0.221 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.7 | -36.8 | 177.7 | -66.4 | -56.9 | 158.3 | 0 | 0 | 112.3 | R1378 Q1379 L1380 L1384 R1385 A1386 S1879 S1881 L1948 | R1378-E1382 WeakPolarHBondContact O-CG 3.3Å; R1378-E1382 PolarHBondContact O-N 3.22Å; R1378-E1382 VanDerWaalsContact O-N 3.1Å; Q1379-E1382 PolarHBondContact O-N 3.21Å; L1380-E1382 VanDerWaalsContact C-N 3.34Å; L1380-E1382 PolarHBondContact O-N 2.92Å; E1382-L1384 PolarHBondContact O-N 2.98Å; E1382-R1385 VanDerWaalsContact CD-NH1 3.32Å; E1382-R1385 WeakPolarHBondContact O-CB 3.31Å; E1382-R1385 PolarHBondContact O-N 3.11Å; E1382-R1385 IonicContact OE1-CZ 3.16Å; E1382-R1385 IonicContact OE1-NH1 3.71Å; E1382-R1385 PolarHBondContact OE1-NH1 3.1Å; E1382-R1385 VanDerWaalsContact OE2-CD 3.29Å; E1382-R1385 WeakPolarHBondContact OE2-CD 3.39Å; E1382-R1385 IonicContact OE2-NH1 3.49Å; E1382-R1385 PolarHBondContact OE2-NH1 3.23Å; E1382-R1385 VanDerWaalsContact OE2-NH1 3.13Å; E1382-A1386 WeakPolarHBondContact O-CB 3.27Å; E1382-A1386 PolarHBondContact O-N 3.04Å; E1382-S1879 PolarHBondContact OE1-OG 3.04Å; E1382-S1879 VanDerWaalsContact OE1-OG 3.09Å; E1382-S1881 WeakPolarHBondContact OE2-CB 3.35Å; E1382-S1881 PolarHBondContact OE2-OG 2.92Å; E1382-L1948 HydrophobicContact CB-CD1 3.49Å; E1382-L1948 VanDerWaalsContact CB-CD1 3.47Å; E1382-L1948 HydrophobicContact CB-CD2 3.96Å; E1382-L1948 HydrophobicContact CB-CG 4.4Å; E1382-L1948 HydrophobicContact CG-CD1 4.23Å |
| 1383 | L | 87.4 | Confident | 86.8 | Confident | 13.8 Ų | 13.8 | 26.1 Ų | 26.1 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -41 | 171.3 | -73.2 | 173.8 | 0 | 0 | 0 | 112 | Q1379 L1380 A1386 G1387 K1388 M1391 V1392 I1395 L1947 L1948 | Q1379-L1383 HydrophobicContact CG-CD1 4.27Å; Q1379-L1383 WeakPolarHBondContact O-CG 3.37Å; Q1379-L1383 PolarHBondContact O-N 3.05Å; L1380-L1383 HydrophobicContact CD2-CD1 4.42Å; L1380-L1383 PolarHBondContact O-N 3.23Å; L1383-A1386 CarbonylContact O-C 3.52Å; L1383-A1386 WeakPolarHBondContact O-CB 3.11Å; L1383-A1386 PolarHBondContact O-N 3.15Å; L1383-G1387 PolarHBondContact O-N 3.29Å; L1383-G1387 VanDerWaalsContact O-N 3.09Å; L1383-K1388 HydrophobicContact CB-CB 4.44Å; L1383-K1388 HydrophobicContact CD2-CB 4.29Å; L1383-K1388 HydrophobicContact CD2-CD 4.11Å; L1383-K1388 HydrophobicContact CD2-CG 4.46Å; L1383-K1388 PolarHBondContact O-N 3.2Å; L1383-M1391 HydrophobicContact CD1-CG 4.37Å; L1383-M1391 HydrophobicContact CD1-SD 3.98Å; L1383-M1391 HydrophobicContact CD2-SD 3.65Å; L1383-M1391 VanDerWaalsContact CD2-SD 3.56Å; L1383-M1391 HydrophobicContact CG-SD 4.41Å; L1383-V1392 HydrophobicContact CB-CG2 3.57Å; L1383-V1392 HydrophobicContact CD1-CG2 4.1Å; L1383-V1392 HydrophobicContact CG-CG2 4.46Å; L1383-I1395 HydrophobicContact CD1-CD1 3.92Å; L1383-L1947 HydrophobicContact CD1-CD2 4.31Å; L1383-L1948 HydrophobicContact CD2-CD2 3.6Å; L1383-L1948 HydrophobicContact CG-CD2 3.78Å |
| 1384 | L | 85.3 | Confident | 86.7 | Confident | 22.8 Ų | 22.8 | 26.2 Ų | 26.2 | 12% | 0.119 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 174.7 | -69.4 | 179.5 | 0 | 0 | 0 | 112 | L1380 I1381 E1382 A1386 G1387 I1389 V1392 I1558 V1562 M1614 | L1380-L1384 VanDerWaalsContact O-CG 3.3Å; L1380-L1384 WeakPolarHBondContact O-CG 3.27Å; L1380-L1384 PolarHBondContact O-N 3.31Å; I1381-L1384 PolarHBondContact O-N 3.05Å; E1382-L1384 PolarHBondContact O-N 2.98Å; L1384-A1386 VanDerWaalsContact C-N 3.31Å; L1384-A1386 PolarHBondContact O-N 3.22Å; L1384-G1387 WeakPolarHBondContact O-CA 3.33Å; L1384-G1387 PolarHBondContact O-N 3.2Å; L1384-G1387 VanDerWaalsContact O-N 3.11Å; L1384-I1389 HydrophobicContact CD2-CB 4.43Å; L1384-I1389 HydrophobicContact CD2-CG1 4.08Å; L1384-I1389 HydrophobicContact CD2-CG2 4.43Å; L1384-V1392 HydrophobicContact CD2-CB 4.07Å; L1384-V1392 HydrophobicContact CD2-CG1 4.16Å; L1384-V1392 HydrophobicContact CD2-CG2 3.88Å; L1384-V1392 HydrophobicContact CG-CG1 4.45Å; L1384-V1392 HydrophobicContact CG-CG2 4.09Å; L1384-I1558 HydrophobicContact CD1-CG2 3.98Å; L1384-V1562 HydrophobicContact CD1-CG2 3.84Å; L1384-V1562 HydrophobicContact CD2-CG2 3.63Å; L1384-V1562 HydrophobicContact CG-CG2 4.34Å; L1384-M1614 HydrophobicContact CD2-SD 4.34Å |
| 1385 | R | 82.7 | Confident | 86.8 | Confident | 100.8 Ų | 100.8 | 24.9 Ų | 24.9 | 38% | 0.38 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 173.8 | -73.7 | 168.5 | 173.5 | -169.7 | -10.8 | 111.9 | I1381 E1382 G1387 S1879 D1882 | I1381-R1385 HydrophobicContact CG2-CG 4.47Å; I1381-R1385 VanDerWaalsContact O-CG 3.3Å; I1381-R1385 WeakPolarHBondContact O-CG 3.37Å; I1381-R1385 PolarHBondContact O-N 3.04Å; E1382-R1385 VanDerWaalsContact CD-NH1 3.32Å; E1382-R1385 WeakPolarHBondContact O-CB 3.31Å; E1382-R1385 PolarHBondContact O-N 3.11Å; E1382-R1385 IonicContact OE1-CZ 3.16Å; E1382-R1385 IonicContact OE1-NH1 3.71Å; E1382-R1385 PolarHBondContact OE1-NH1 3.1Å; E1382-R1385 VanDerWaalsContact OE2-CD 3.29Å; E1382-R1385 WeakPolarHBondContact OE2-CD 3.39Å; E1382-R1385 IonicContact OE2-NH1 3.49Å; E1382-R1385 PolarHBondContact OE2-NH1 3.23Å; E1382-R1385 VanDerWaalsContact OE2-NH1 3.13Å; R1385-G1387 PolarHBondContact O-N 3Å; R1385-S1879 PolarHBondContact NH1-OG 3.1Å; R1385-D1882 WeakPolarHBondContact CD-OD1 3.31Å; R1385-D1882 IonicContact CZ-OD1 3.89Å; R1385-D1882 IonicContact CZ-OD2 3.05Å; R1385-D1882 IonicContact NE-OD1 3.21Å; R1385-D1882 PolarHBondContact NE-OD1 2.82Å; R1385-D1882 VanDerWaalsContact NH1-CG 3.29Å; R1385-D1882 IonicContact NH1-OD1 3.07Å; R1385-D1882 PolarHBondContact NH1-OD1 3.18Å; R1385-D1882 IonicContact NH1-OD2 3.68Å; R1385-D1882 PolarHBondContact NH1-OD2 2.84Å; R1385-D1882 IonicContact NH2-OD1 2.95Å; R1385-D1882 PolarHBondContact NH2-OD1 3.41Å; R1385-D1882 IonicContact NH2-OD2 3.26Å; R1385-D1882 PolarHBondContact NH2-OD2 2.98Å |
| 1386 | A | 82.6 | Confident | 86.8 | Confident | 32.8 Ų | 32.8 | 24.3 Ų | 24.3 | 27% | 0.271 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -70.2 | -12.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1382 L1383 L1384 K1388 E1951 | E1382-A1386 WeakPolarHBondContact O-CB 3.27Å; E1382-A1386 PolarHBondContact O-N 3.04Å; L1383-A1386 CarbonylContact O-C 3.52Å; L1383-A1386 WeakPolarHBondContact O-CB 3.11Å; L1383-A1386 PolarHBondContact O-N 3.15Å; L1384-A1386 VanDerWaalsContact C-N 3.31Å; L1384-A1386 PolarHBondContact O-N 3.22Å; A1386-K1388 VanDerWaalsContact C-N 3.3Å; A1386-K1388 HydrophobicContact CB-CG 4.28Å; A1386-K1388 PolarHBondContact O-N 3.14Å; A1386-E1951 VanDerWaalsContact CB-CD 3.48Å; A1386-E1951 HydrophobicContact CB-CG 4.48Å; A1386-E1951 WeakPolarHBondContact CB-OE1 3.33Å; A1386-E1951 WeakPolarHBondContact CB-OE2 3.09Å |
| 1387 | G | 79.4 | Confident | 86.7 | Confident | 15.4 Ų | 15.4 | 25.1 Ų | 25.1 | 16% | 0.159 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 10.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1383 L1384 R1385 I1389 V1570 E1571 | L1383-G1387 PolarHBondContact O-N 3.29Å; L1383-G1387 VanDerWaalsContact O-N 3.09Å; L1384-G1387 WeakPolarHBondContact O-CA 3.33Å; L1384-G1387 PolarHBondContact O-N 3.2Å; L1384-G1387 VanDerWaalsContact O-N 3.11Å; R1385-G1387 PolarHBondContact O-N 3Å; G1387-I1389 VanDerWaalsContact C-N 3.32Å; G1387-I1389 PolarHBondContact O-N 3.04Å; G1387-I1389 VanDerWaalsContact O-N 3.15Å; G1387-V1570 WeakPolarHBondContact O-CG1 3.4Å; G1387-E1571 VanDerWaalsContact O-CG 3.29Å; G1387-E1571 WeakPolarHBondContact O-CG 3.41Å |
| 1388 | K | 82.8 | Confident | 86.7 | Confident | 43.8 Ų | 43.8 | 26.7 Ų | 26.7 | 19% | 0.19 | 14% | 0.137 | C | C | . | . | trans | -85.7 | 62.4 | -177.2 | -61.2 | -77.9 | -177 | -174.2 | 0 | 111.8 | L1383 A1386 S1390 M1391 V1392 E1469 E1571 E1951 | L1383-K1388 HydrophobicContact CB-CB 4.44Å; L1383-K1388 HydrophobicContact CD2-CB 4.29Å; L1383-K1388 HydrophobicContact CD2-CD 4.11Å; L1383-K1388 HydrophobicContact CD2-CG 4.46Å; L1383-K1388 PolarHBondContact O-N 3.2Å; A1386-K1388 VanDerWaalsContact C-N 3.3Å; A1386-K1388 HydrophobicContact CB-CG 4.28Å; A1386-K1388 PolarHBondContact O-N 3.14Å; K1388-S1390 PolarHBondContact O-N 3.3Å; K1388-M1391 HydrophobicContact CB-CB 4.1Å; K1388-M1391 HydrophobicContact CD-CE 3.83Å; K1388-M1391 HydrophobicContact CD-SD 4.26Å; K1388-M1391 PolarHBondContact O-N 2.67Å; K1388-V1392 WeakPolarHBondContact O-CG2 3.39Å; K1388-V1392 PolarHBondContact O-N 3.08Å; K1388-E1469 WeakPolarHBondContact CD-OE1 3.35Å; K1388-E1469 VanDerWaalsContact CE-OE1 3.31Å; K1388-E1469 WeakPolarHBondContact CE-OE1 3.41Å; K1388-E1469 IonicContact NZ-OE1 3.74Å; K1388-E1469 PolarHBondContact NZ-OE1 3.22Å; K1388-E1469 IonicContact NZ-OE2 3.27Å; K1388-E1469 PolarHBondContact NZ-OE2 3.06Å; K1388-E1469 VanDerWaalsContact NZ-OE2 3.14Å; K1388-E1571 VanDerWaalsContact C-OE1 3.28Å; K1388-E1571 WeakPolarHBondContact CA-OE1 3.44Å; K1388-E1571 WeakPolarHBondContact CE-OE1 3.38Å; K1388-E1571 IonicContact NZ-OE1 3.63Å; K1388-E1571 PolarHBondContact NZ-OE1 2.77Å; K1388-E1571 IonicContact NZ-OE2 3.25Å; K1388-E1571 PolarHBondContact NZ-OE2 3.16Å; K1388-E1951 VanDerWaalsContact CE-CD 3.41Å; K1388-E1951 WeakPolarHBondContact CE-OE1 3.2Å; K1388-E1951 WeakPolarHBondContact CE-OE2 3.49Å; K1388-E1951 IonicContact NZ-OE1 3.99Å | ||
| 1389 | I | 82.6 | Confident | 86.8 | Confident | 7.8 Ų | 7.8 | 23.9 Ų | 23.9 | 4% | 0.04 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.1 | -39.8 | -174.8 | -54.7 | -178.7 | 0 | 0 | 0 | 111.5 | L1384 G1387 M1391 V1392 K1393 V1562 A1567 V1570 E1571 L1610 M1614 | L1384-I1389 HydrophobicContact CD2-CB 4.43Å; L1384-I1389 HydrophobicContact CD2-CG1 4.08Å; L1384-I1389 HydrophobicContact CD2-CG2 4.43Å; G1387-I1389 VanDerWaalsContact C-N 3.32Å; G1387-I1389 PolarHBondContact O-N 3.04Å; G1387-I1389 VanDerWaalsContact O-N 3.15Å; I1389-M1391 VanDerWaalsContact C-N 3.3Å; I1389-M1391 PolarHBondContact O-N 3.27Å; I1389-V1392 PolarHBondContact O-N 3.15Å; I1389-V1392 VanDerWaalsContact O-N 3.14Å; I1389-K1393 HydrophobicContact CG2-CD 4.47Å; I1389-K1393 HydrophobicContact CG2-CG 4.48Å; I1389-K1393 WeakPolarHBondContact O-CG 3.32Å; I1389-K1393 PolarHBondContact O-N 3.24Å; I1389-V1562 HydrophobicContact CG2-CG1 3.98Å; I1389-A1567 HydrophobicContact CB-CB 4.32Å; I1389-A1567 HydrophobicContact CG2-CB 4.13Å; I1389-V1570 HydrophobicContact CD1-CB 4.07Å; I1389-V1570 HydrophobicContact CD1-CG1 4.11Å; I1389-V1570 HydrophobicContact CD1-CG2 3.49Å; I1389-V1570 VanDerWaalsContact CD1-CG2 3.46Å; I1389-V1570 HydrophobicContact CG1-CG2 4.22Å; I1389-E1571 PolarHBondContact N-OE1 2.87Å; I1389-L1610 HydrophobicContact CD1-CD2 4.07Å; I1389-M1614 HydrophobicContact CD1-CE 3.9Å; I1389-M1614 HydrophobicContact CD1-SD 3.43Å; I1389-M1614 WeakPolarHBondContact CD1-SD 3.32Å; I1389-M1614 HydrophobicContact CG1-CE 4.4Å; I1389-M1614 HydrophobicContact CG1-SD 4.03Å |
| 1390 | S | 82.6 | Confident | 86.8 | Confident | 27.2 Ų | 27.2 | 22.5 Ų | 22.5 | 19% | 0.19 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.8 | 16.1 | 0 | 0 | 0 | 0 | 111.7 | K1388 V1392 K1393 A1394 A1567 E1571 | K1388-S1390 PolarHBondContact O-N 3.3Å; S1390-V1392 VanDerWaalsContact C-N 3.33Å; S1390-V1392 PolarHBondContact O-N 3.26Å; S1390-K1393 WeakPolarHBondContact O-CB 3.37Å; S1390-K1393 PolarHBondContact O-N 3.01Å; S1390-K1393 VanDerWaalsContact O-N 3.15Å; S1390-A1394 WeakPolarHBondContact O-CB 3.2Å; S1390-A1394 PolarHBondContact O-N 3.1Å; S1390-A1567 WeakPolarHBondContact OG-CB 3.38Å; S1390-E1571 VanDerWaalsContact CB-CD 3.47Å; S1390-E1571 WeakPolarHBondContact CB-OE1 3.15Å; S1390-E1571 WeakPolarHBondContact CB-OE2 3.35Å; S1390-E1571 PolarHBondContact N-OE1 3.26Å; S1390-E1571 PolarHBondContact OG-OE1 3.17Å; S1390-E1571 VanDerWaalsContact OG-OE1 3.07Å; S1390-E1571 PolarHBondContact OG-OE2 3.08Å |
| 1391 | M | 86.8 | Confident | 86.5 | Confident | 14.8 Ų | 14.8 | 23.4 Ų | 23.4 | 7% | 0.073 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.6 | -168.1 | -178.1 | -72 | 0 | 0 | 111.7 | L1383 K1388 I1389 K1393 A1394 I1395 L1465 E1469 F1586 L1947 | L1383-M1391 HydrophobicContact CD1-CG 4.37Å; L1383-M1391 HydrophobicContact CD1-SD 3.98Å; L1383-M1391 HydrophobicContact CD2-SD 3.65Å; L1383-M1391 VanDerWaalsContact CD2-SD 3.56Å; L1383-M1391 HydrophobicContact CG-SD 4.41Å; K1388-M1391 HydrophobicContact CB-CB 4.1Å; K1388-M1391 HydrophobicContact CD-CE 3.83Å; K1388-M1391 HydrophobicContact CD-SD 4.26Å; K1388-M1391 PolarHBondContact O-N 2.67Å; I1389-M1391 VanDerWaalsContact C-N 3.3Å; I1389-M1391 PolarHBondContact O-N 3.27Å; M1391-K1393 VanDerWaalsContact C-N 3.33Å; M1391-K1393 PolarHBondContact O-N 3.13Å; M1391-A1394 PolarHBondContact O-N 3.28Å; M1391-I1395 HydrophobicContact CG-CD1 4.25Å; M1391-I1395 VanDerWaalsContact O-CG1 3.29Å; M1391-I1395 WeakPolarHBondContact O-CG1 3.39Å; M1391-I1395 PolarHBondContact O-N 3.15Å; M1391-L1465 HydrophobicContact CE-CB 4.26Å; M1391-L1465 WeakPolarHBondContact CE-O 3.34Å; M1391-L1465 HydrophobicContact CG-CB 4.2Å; M1391-L1465 HydrophobicContact CG-CD1 4.36Å; M1391-L1465 HydrophobicContact CG-CD2 3.75Å; M1391-L1465 HydrophobicContact CG-CG 4.24Å; M1391-L1465 HydrophobicContact SD-CB 4.18Å; M1391-L1465 HydrophobicContact SD-CD1 4.41Å; M1391-E1469 VanDerWaalsContact CE-OE1 3.28Å; M1391-E1469 WeakPolarHBondContact CE-OE1 3.47Å; M1391-F1586 HydrophobicContact CE-CD1 3.54Å; M1391-F1586 VanDerWaalsContact CE-CD1 3.47Å; M1391-F1586 HydrophobicContact CE-CE1 3.53Å; M1391-F1586 HydrophobicContact CE-CG 4.43Å; M1391-L1947 HydrophobicContact SD-CD1 4.47Å; M1391-L1947 HydrophobicContact SD-CD2 3.68Å; M1391-L1947 HydrophobicContact SD-CG 4.23Å |
| 1392 | V | 89.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 176 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | L1380 L1383 L1384 K1388 I1389 S1390 A1394 I1395 L1396 I1558 V1562 | L1380-V1392 HydrophobicContact CB-CG1 4.36Å; L1380-V1392 HydrophobicContact CB-CG2 4.48Å; L1380-V1392 HydrophobicContact CD1-CG1 4.46Å; L1380-V1392 HydrophobicContact CD2-CG1 4.19Å; L1380-V1392 HydrophobicContact CD2-CG2 4.25Å; L1383-V1392 HydrophobicContact CB-CG2 3.57Å; L1383-V1392 HydrophobicContact CD1-CG2 4.1Å; L1383-V1392 HydrophobicContact CG-CG2 4.46Å; L1384-V1392 HydrophobicContact CD2-CB 4.07Å; L1384-V1392 HydrophobicContact CD2-CG1 4.16Å; L1384-V1392 HydrophobicContact CD2-CG2 3.88Å; L1384-V1392 HydrophobicContact CG-CG1 4.45Å; L1384-V1392 HydrophobicContact CG-CG2 4.09Å; K1388-V1392 WeakPolarHBondContact O-CG2 3.39Å; K1388-V1392 PolarHBondContact O-N 3.08Å; I1389-V1392 PolarHBondContact O-N 3.15Å; I1389-V1392 VanDerWaalsContact O-N 3.14Å; S1390-V1392 VanDerWaalsContact C-N 3.33Å; S1390-V1392 PolarHBondContact O-N 3.26Å; V1392-A1394 PolarHBondContact O-N 3.25Å; V1392-I1395 PolarHBondContact O-N 3.22Å; V1392-L1396 HydrophobicContact CG1-CD1 4.07Å; V1392-L1396 HydrophobicContact CG1-CG 4.39Å; V1392-L1396 WeakPolarHBondContact O-CB 3.34Å; V1392-L1396 VanDerWaalsContact O-CG 3.3Å; V1392-L1396 WeakPolarHBondContact O-CG 3.4Å; V1392-L1396 PolarHBondContact O-N 3.15Å; V1392-I1558 HydrophobicContact CG1-CG2 4.16Å; V1392-V1562 HydrophobicContact CG1-CG2 3.97Å |
| 1393 | K | 88.6 | Confident | 86.2 | Confident | 30.6 Ų | 30.6 | 20.9 Ų | 20.9 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 174.5 | -74.9 | -175.2 | 179.4 | -177.3 | 0 | 111.9 | I1389 S1390 M1391 I1395 L1396 L1397 F1527 V1562 F1565 A1567 | I1389-K1393 HydrophobicContact CG2-CD 4.47Å; I1389-K1393 HydrophobicContact CG2-CG 4.48Å; I1389-K1393 WeakPolarHBondContact O-CG 3.32Å; I1389-K1393 PolarHBondContact O-N 3.24Å; S1390-K1393 WeakPolarHBondContact O-CB 3.37Å; S1390-K1393 PolarHBondContact O-N 3.01Å; S1390-K1393 VanDerWaalsContact O-N 3.15Å; M1391-K1393 VanDerWaalsContact C-N 3.33Å; M1391-K1393 PolarHBondContact O-N 3.13Å; K1393-I1395 PolarHBondContact O-N 3.27Å; K1393-L1396 PolarHBondContact O-N 3.18Å; K1393-L1397 VanDerWaalsContact O-CB 3.27Å; K1393-L1397 WeakPolarHBondContact O-CB 3.23Å; K1393-L1397 PolarHBondContact O-N 3.03Å; K1393-F1527 HydrophobicContact CB-CB 3.91Å; K1393-F1527 HydrophobicContact CD-CB 4.48Å; K1393-F1527 HydrophobicContact CG-CB 4.13Å; K1393-F1527 HydrophobicContact CG-CD1 4.43Å; K1393-V1562 HydrophobicContact CD-CG1 4.06Å; K1393-V1562 VanDerWaalsContact CE-CG1 3.46Å; K1393-V1562 VanDerWaalsContact CE-O 3.29Å; K1393-V1562 WeakPolarHBondContact CE-O 3.45Å; K1393-V1562 HydrophobicContact CG-CG1 3.32Å; K1393-F1565 PolarHBondContact NZ-O 3Å; K1393-A1567 HydrophobicContact CD-CB 4.21Å |
| 1394 | A | 87 | Confident | 85.9 | Confident | 31.4 Ų | 31.4 | 24 Ų | 24 | 26% | 0.26 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1390 M1391 V1392 L1396 L1397 H1398 L1460 L1465 | S1390-A1394 WeakPolarHBondContact O-CB 3.2Å; S1390-A1394 PolarHBondContact O-N 3.1Å; M1391-A1394 PolarHBondContact O-N 3.28Å; V1392-A1394 PolarHBondContact O-N 3.25Å; A1394-L1396 PolarHBondContact O-N 3.14Å; A1394-L1397 PolarHBondContact O-N 3.33Å; A1394-H1398 WeakPolarHBondContact O-CB 3.3Å; A1394-H1398 PolarHBondContact O-N 3.11Å; A1394-L1460 HydrophobicContact CB-CD1 4.18Å; A1394-L1460 HydrophobicContact CB-CD2 4.25Å; A1394-L1465 HydrophobicContact CB-CD2 4.47Å |
| 1395 | I | 91 | Very high | 85.4 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.1 | -65.9 | 164.6 | 0 | 0 | 0 | 111.2 | Q1374 L1380 L1383 M1391 V1392 K1393 L1397 H1398 M1399 L1460 L1465 | Q1374-I1395 HydrophobicContact CB-CD1 4.47Å; Q1374-I1395 HydrophobicContact CB-CG2 4.25Å; L1380-I1395 HydrophobicContact CD2-CB 4.31Å; L1380-I1395 HydrophobicContact CD2-CD1 3.96Å; L1380-I1395 HydrophobicContact CD2-CG2 4.03Å; L1383-I1395 HydrophobicContact CD1-CD1 3.92Å; M1391-I1395 HydrophobicContact CG-CD1 4.25Å; M1391-I1395 VanDerWaalsContact O-CG1 3.29Å; M1391-I1395 WeakPolarHBondContact O-CG1 3.39Å; M1391-I1395 PolarHBondContact O-N 3.15Å; V1392-I1395 PolarHBondContact O-N 3.22Å; K1393-I1395 PolarHBondContact O-N 3.27Å; I1395-L1397 VanDerWaalsContact C-N 3.34Å; I1395-L1397 PolarHBondContact O-N 2.96Å; I1395-H1398 PolarHBondContact O-N 2.93Å; I1395-M1399 WeakPolarHBondContact O-CB 3.32Å; I1395-M1399 PolarHBondContact O-N 3.07Å; I1395-L1460 HydrophobicContact CG1-CD1 4.32Å; I1395-L1465 HydrophobicContact CD1-CD2 4.3Å; I1395-L1465 HydrophobicContact CG1-CD2 3.88Å |
| 1396 | L | 91.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 179 | -70.1 | 176.6 | 0 | 0 | 0 | 112.4 | L1380 V1392 K1393 A1394 M1399 L1400 F1527 L1535 L1555 I1558 A1559 | L1380-L1396 HydrophobicContact CD1-CD2 3.95Å; L1380-L1396 HydrophobicContact CD1-CG 4.46Å; V1392-L1396 HydrophobicContact CG1-CD1 4.07Å; V1392-L1396 HydrophobicContact CG1-CG 4.39Å; V1392-L1396 WeakPolarHBondContact O-CB 3.34Å; V1392-L1396 VanDerWaalsContact O-CG 3.3Å; V1392-L1396 WeakPolarHBondContact O-CG 3.4Å; V1392-L1396 PolarHBondContact O-N 3.15Å; K1393-L1396 PolarHBondContact O-N 3.18Å; A1394-L1396 PolarHBondContact O-N 3.14Å; L1396-M1399 HydrophobicContact CD2-CE 3.83Å; L1396-M1399 PolarHBondContact O-N 2.95Å; L1396-L1400 WeakPolarHBondContact O-CB 3.39Å; L1396-L1400 PolarHBondContact O-N 3.09Å; L1396-F1527 HydrophobicContact CB-CD1 4.43Å; L1396-F1527 HydrophobicContact CB-CD2 3.89Å; L1396-F1527 HydrophobicContact CB-CE1 4.27Å; L1396-F1527 HydrophobicContact CB-CE2 3.71Å; L1396-F1527 HydrophobicContact CB-CG 4.25Å; L1396-F1527 HydrophobicContact CB-CZ 3.91Å; L1396-F1527 HydrophobicContact CD1-CD1 4.29Å; L1396-F1527 HydrophobicContact CD1-CE1 3.8Å; L1396-F1527 HydrophobicContact CD1-CZ 3.99Å; L1396-F1527 HydrophobicContact CG-CZ 4.4Å; L1396-L1535 HydrophobicContact CD2-CD2 4.36Å; L1396-L1555 HydrophobicContact CD2-CD1 3.66Å; L1396-I1558 HydrophobicContact CD1-CG2 4.48Å; L1396-A1559 HydrophobicContact CD1-CB 4.2Å |
| 1397 | L | 88.9 | Confident | 83.5 | Confident | 18.2 Ų | 18.2 | 24.6 Ų | 24.6 | 10% | 0.095 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -48.1 | 176.1 | -176.2 | 62.7 | 0 | 0 | 0 | 111.3 | K1393 A1394 I1395 M1399 L1400 C1401 W1493 P1524 F1527 E1531 | K1393-L1397 VanDerWaalsContact O-CB 3.27Å; K1393-L1397 WeakPolarHBondContact O-CB 3.23Å; K1393-L1397 PolarHBondContact O-N 3.03Å; A1394-L1397 PolarHBondContact O-N 3.33Å; I1395-L1397 VanDerWaalsContact C-N 3.34Å; I1395-L1397 PolarHBondContact O-N 2.96Å; L1397-M1399 VanDerWaalsContact C-N 3.29Å; L1397-M1399 PolarHBondContact O-N 3.2Å; L1397-L1400 WeakPolarHBondContact O-CB 3.4Å; L1397-L1400 PolarHBondContact O-N 3.2Å; L1397-L1400 VanDerWaalsContact O-N 3.13Å; L1397-C1401 PolarHBondContact O-N 3.32Å; L1397-C1401 PolarHBondContact O-SG 3.14Å; L1397-C1401 VanDerWaalsContact O-SG 3.38Å; L1397-W1493 HydrophobicContact CD2-CZ2 4.49Å; L1397-P1524 HydrophobicContact CD1-CB 3.98Å; L1397-P1524 HydrophobicContact CD1-CG 3.85Å; L1397-P1524 WeakPolarHBondContact CD2-O 3.44Å; L1397-F1527 HydrophobicContact CB-CB 4.34Å; L1397-F1527 HydrophobicContact CB-CD2 4.3Å; L1397-F1527 HydrophobicContact CD1-CD2 4.45Å; L1397-E1531 HydrophobicContact CD1-CG 4.34Å |
| 1398 | H | 89 | Confident | 82.2 | Confident | 32 Ų | 32 | 27.3 Ų | 27.3 | 15% | 0.148 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 175.9 | 177.6 | 60.3 | 0 | 0 | 0 | 112.1 | A1394 I1395 L1400 C1401 S1402 A1458 L1460 | A1394-H1398 WeakPolarHBondContact O-CB 3.3Å; A1394-H1398 PolarHBondContact O-N 3.11Å; I1395-H1398 PolarHBondContact O-N 2.93Å; H1398-L1400 VanDerWaalsContact C-N 3.35Å; H1398-L1400 PolarHBondContact O-N 3.48Å; H1398-C1401 PolarHBondContact O-N 3.33Å; H1398-S1402 VanDerWaalsContact O-CB 3.31Å; H1398-S1402 WeakPolarHBondContact O-CB 3.41Å; H1398-S1402 PolarHBondContact O-N 3.24Å; H1398-S1402 PolarHBondContact O-OG 3.16Å; H1398-A1458 PolarHBondContact CD2-O 3.13Å; H1398-A1458 PolarHBondContact NE2-O 3.22Å; H1398-L1460 HydrophobicContact CB-CD1 3.87Å; H1398-L1460 HydrophobicContact CB-CD2 3.86Å; H1398-L1460 HydrophobicContact CB-CG 3.74Å; H1398-L1460 WeakPolarHBondContact ND1-CD1 3.19Å |
| 1399 | M | 89.7 | Confident | 80.4 | Confident | 1.2 Ų | 1.2 | 27.8 Ų | 27.8 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 174.5 | -178.1 | -174.6 | 65.6 | 0 | 0 | 111.5 | Y1375 I1395 L1396 L1397 C1401 S1402 I1403 I1457 L1535 L1539 L1544 L1555 | Y1375-M1399 HydrophobicContact CD1-SD 4.44Å; Y1375-M1399 HydrophobicContact CD2-SD 4.19Å; Y1375-M1399 HydrophobicContact CG-SD 3.87Å; I1395-M1399 WeakPolarHBondContact O-CB 3.32Å; I1395-M1399 PolarHBondContact O-N 3.07Å; L1396-M1399 HydrophobicContact CD2-CE 3.83Å; L1396-M1399 PolarHBondContact O-N 2.95Å; L1397-M1399 VanDerWaalsContact C-N 3.29Å; L1397-M1399 PolarHBondContact O-N 3.2Å; M1399-C1401 PolarHBondContact O-N 3.29Å; M1399-S1402 PolarHBondContact O-N 3.16Å; M1399-I1403 HydrophobicContact CG-CD1 3.92Å; M1399-I1403 HydrophobicContact CG-CG1 4.49Å; M1399-I1403 WeakPolarHBondContact O-CD1 3.41Å; M1399-I1403 VanDerWaalsContact O-CG1 3.23Å; M1399-I1403 WeakPolarHBondContact O-CG1 3.38Å; M1399-I1403 PolarHBondContact O-N 3.2Å; M1399-I1457 HydrophobicContact CG-CD1 4.07Å; M1399-L1535 HydrophobicContact CE-CD1 3.51Å; M1399-L1535 VanDerWaalsContact CE-CD1 3.48Å; M1399-L1535 HydrophobicContact CE-CD2 3.5Å; M1399-L1535 VanDerWaalsContact CE-CD2 3.48Å; M1399-L1535 HydrophobicContact CE-CG 4.1Å; M1399-L1539 HydrophobicContact CE-CD1 4.44Å; M1399-L1544 HydrophobicContact CG-CD1 4.44Å; M1399-L1544 HydrophobicContact SD-CD1 3.49Å; M1399-L1544 VanDerWaalsContact SD-CD1 3.53Å; M1399-L1544 WeakPolarHBondContact SD-CD1 3.44Å; M1399-L1544 HydrophobicContact SD-CD2 4.47Å; M1399-L1555 HydrophobicContact CE-CD1 4.42Å; M1399-L1555 HydrophobicContact CE-CD2 3.95Å; M1399-L1555 HydrophobicContact CE-CG 4.44Å; M1399-L1555 HydrophobicContact SD-CD2 3.84Å |
| 1400 | L | 89.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 176.8 | 175.7 | 60.8 | 0 | 0 | 0 | 111.7 | L1396 L1397 H1398 S1402 I1403 R1404 F1527 E1531 Q1534 L1535 L1538 | L1396-L1400 WeakPolarHBondContact O-CB 3.39Å; L1396-L1400 PolarHBondContact O-N 3.09Å; L1397-L1400 WeakPolarHBondContact O-CB 3.4Å; L1397-L1400 PolarHBondContact O-N 3.2Å; L1397-L1400 VanDerWaalsContact O-N 3.13Å; H1398-L1400 VanDerWaalsContact C-N 3.35Å; H1398-L1400 PolarHBondContact O-N 3.48Å; L1400-S1402 VanDerWaalsContact C-N 3.34Å; L1400-S1402 PolarHBondContact O-N 2.8Å; L1400-I1403 PolarHBondContact O-N 3.01Å; L1400-R1404 HydrophobicContact CD1-CG 4.44Å; L1400-R1404 WeakPolarHBondContact O-CG 3.36Å; L1400-R1404 PolarHBondContact O-N 3.04Å; L1400-R1404 VanDerWaalsContact O-N 3.12Å; L1400-F1527 HydrophobicContact CD2-CE2 4.49Å; L1400-E1531 HydrophobicContact CD2-CB 3.57Å; L1400-E1531 VanDerWaalsContact CD2-CB 3.48Å; L1400-E1531 HydrophobicContact CD2-CG 3.89Å; L1400-Q1534 HydrophobicContact CD1-CB 4.46Å; L1400-L1535 HydrophobicContact CB-CD1 4.4Å; L1400-L1535 HydrophobicContact CD1-CB 4.19Å; L1400-L1535 HydrophobicContact CD1-CD1 4.38Å; L1400-L1538 HydrophobicContact CD1-CD1 3.56Å |
| 1401 | C | 85.8 | Confident | 76.3 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 14% | 0.135 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.6 | -67 | 0 | 0 | 0 | 0 | 111.7 | L1397 H1398 M1399 I1403 R1404 Q1405 W1493 | L1397-C1401 PolarHBondContact O-N 3.32Å; L1397-C1401 PolarHBondContact O-SG 3.14Å; L1397-C1401 VanDerWaalsContact O-SG 3.38Å; H1398-C1401 PolarHBondContact O-N 3.33Å; M1399-C1401 PolarHBondContact O-N 3.29Å; C1401-I1403 VanDerWaalsContact C-N 3.33Å; C1401-I1403 PolarHBondContact O-N 3.31Å; C1401-R1404 WeakPolarHBondContact O-CB 3.2Å; C1401-R1404 PolarHBondContact O-N 3.01Å; C1401-Q1405 WeakPolarHBondContact O-CG 3.16Å; C1401-Q1405 PolarHBondContact O-N 3.03Å; C1401-Q1405 VanDerWaalsContact O-N 3.1Å; C1401-W1493 HydrophobicContact CB-CH2 3.5Å; C1401-W1493 HydrophobicContact CB-CZ3 3.78Å; C1401-W1493 WeakPolarHBondContact SG-CH2 3.23Å |
| 1402 | S | 84.3 | Confident | 73.9 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 176.8 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | H1398 M1399 L1400 R1404 Q1405 Y1406 | H1398-S1402 VanDerWaalsContact O-CB 3.31Å; H1398-S1402 WeakPolarHBondContact O-CB 3.41Å; H1398-S1402 PolarHBondContact O-N 3.24Å; H1398-S1402 PolarHBondContact O-OG 3.16Å; M1399-S1402 PolarHBondContact O-N 3.16Å; L1400-S1402 VanDerWaalsContact C-N 3.34Å; L1400-S1402 PolarHBondContact O-N 2.8Å; S1402-R1404 VanDerWaalsContact C-N 3.35Å; S1402-R1404 PolarHBondContact O-N 3.47Å; S1402-Q1405 PolarHBondContact O-N 3.2Å; S1402-Y1406 WeakPolarHBondContact O-CB 3.42Å; S1402-Y1406 PolarHBondContact O-N 3.22Å; S1402-Y1406 VanDerWaalsContact O-N 3.13Å |
| 1403 | I | 83.4 | Confident | 71.3 | Confident | 6.4 Ų | 6.4 | 43.6 Ų | 43.6 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -40.6 | 177.8 | -64.9 | 162.1 | 0 | 0 | 0 | 111 | M1399 L1400 C1401 Q1405 Y1406 G1407 I1457 L1535 L1538 L1539 V1542 L1544 | M1399-I1403 HydrophobicContact CG-CD1 3.92Å; M1399-I1403 HydrophobicContact CG-CG1 4.49Å; M1399-I1403 WeakPolarHBondContact O-CD1 3.41Å; M1399-I1403 VanDerWaalsContact O-CG1 3.23Å; M1399-I1403 WeakPolarHBondContact O-CG1 3.38Å; M1399-I1403 PolarHBondContact O-N 3.2Å; L1400-I1403 PolarHBondContact O-N 3.01Å; C1401-I1403 VanDerWaalsContact C-N 3.33Å; C1401-I1403 PolarHBondContact O-N 3.31Å; I1403-Q1405 VanDerWaalsContact C-N 3.31Å; I1403-Q1405 PolarHBondContact O-N 3.17Å; I1403-Y1406 WeakPolarHBondContact O-CB 3.32Å; I1403-Y1406 PolarHBondContact O-N 3.27Å; I1403-G1407 PolarHBondContact O-N 3.03Å; I1403-G1407 VanDerWaalsContact O-N 3.12Å; I1403-I1457 HydrophobicContact CG1-CD1 4.13Å; I1403-L1535 HydrophobicContact CD1-CD1 4.08Å; I1403-L1538 HydrophobicContact CG2-CB 4.31Å; I1403-L1538 HydrophobicContact CG2-CD1 4.07Å; I1403-L1538 HydrophobicContact CG2-CD2 4.46Å; I1403-L1538 HydrophobicContact CG2-CG 4.49Å; I1403-L1539 HydrophobicContact CD1-CD2 4.2Å; I1403-V1542 HydrophobicContact CG2-CG1 4.37Å; I1403-V1542 HydrophobicContact CG2-CG2 4.31Å; I1403-L1544 HydrophobicContact CD1-CD2 3.84Å; I1403-L1544 HydrophobicContact CG1-CD2 4.11Å |
| 1404 | R | 82.6 | Confident | 68.8 | Low | 78.6 Ų | 78.6 | 47.3 Ų | 47.3 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 177.7 | -73 | 175.8 | -177.8 | 164.5 | 0.9 | 111.7 | L1400 C1401 S1402 Y1406 G1407 T1408 I1434 L1538 | L1400-R1404 HydrophobicContact CD1-CG 4.44Å; L1400-R1404 WeakPolarHBondContact O-CG 3.36Å; L1400-R1404 PolarHBondContact O-N 3.04Å; L1400-R1404 VanDerWaalsContact O-N 3.12Å; C1401-R1404 WeakPolarHBondContact O-CB 3.2Å; C1401-R1404 PolarHBondContact O-N 3.01Å; S1402-R1404 VanDerWaalsContact C-N 3.35Å; S1402-R1404 PolarHBondContact O-N 3.47Å; R1404-Y1406 VanDerWaalsContact C-N 3.3Å; R1404-Y1406 PolarHBondContact O-N 3.28Å; R1404-G1407 PolarHBondContact O-N 3.16Å; R1404-T1408 PolarHBondContact O-N 3.18Å; R1404-T1408 PolarHBondContact O-OG1 3.17Å; R1404-I1434 VanDerWaalsContact O-CD1 3.25Å; R1404-I1434 WeakPolarHBondContact O-CD1 3.48Å; R1404-L1538 HydrophobicContact CG-CD1 4.38Å |
| 1405 | Q | 73.6 | Confident | 66.4 | Low | 75.8 Ų | 75.8 | 50.9 Ų | 50.9 | 35% | 0.354 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 178.7 | -69 | 175 | 3.9 | 0 | 0 | 112.2 | C1401 S1402 I1403 G1407 T1408 A1409 Q1500 | C1401-Q1405 WeakPolarHBondContact O-CG 3.16Å; C1401-Q1405 PolarHBondContact O-N 3.03Å; C1401-Q1405 VanDerWaalsContact O-N 3.1Å; S1402-Q1405 PolarHBondContact O-N 3.2Å; I1403-Q1405 VanDerWaalsContact C-N 3.31Å; I1403-Q1405 PolarHBondContact O-N 3.17Å; Q1405-G1407 VanDerWaalsContact C-N 3.34Å; Q1405-G1407 PolarHBondContact O-N 3.21Å; Q1405-T1408 WeakPolarHBondContact CA-OG1 3.42Å; Q1405-T1408 PolarHBondContact O-N 3.27Å; Q1405-T1408 PolarHBondContact O-OG1 3.22Å; Q1405-A1409 WeakPolarHBondContact O-CB 3.41Å; Q1405-A1409 PolarHBondContact O-N 3.27Å; Q1405-A1409 VanDerWaalsContact O-N 3.11Å; Q1405-Q1500 VanDerWaalsContact CD-OE1 3.24Å |
| 1406 | Y | 65.5 | Low | 63.8 | Low | 64.8 Ų | 64.8 | 54.7 Ų | 54.7 | 25% | 0.254 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 176.7 | -129.6 | -86.5 | 0 | 0 | 0 | 112.7 | S1402 I1403 R1404 A1409 K1410 F1452 V1454 D1455 F1456 | S1402-Y1406 WeakPolarHBondContact O-CB 3.42Å; S1402-Y1406 PolarHBondContact O-N 3.22Å; S1402-Y1406 VanDerWaalsContact O-N 3.13Å; I1403-Y1406 WeakPolarHBondContact O-CB 3.32Å; I1403-Y1406 PolarHBondContact O-N 3.27Å; R1404-Y1406 VanDerWaalsContact C-N 3.3Å; R1404-Y1406 PolarHBondContact O-N 3.28Å; Y1406-A1409 PolarHBondContact O-N 3.41Å; Y1406-K1410 HydrophobicContact CE1-CD 4.42Å; Y1406-K1410 PolarHBondContact O-N 3.02Å; Y1406-F1452 AromaticContact CD1-CE1 3.38Å; Y1406-F1452 HydrophobicContact CD1-CE1 3.38Å; Y1406-F1452 VanDerWaalsContact CD1-CE1 3.48Å; Y1406-F1452 AromaticContact CD1-CZ 3.44Å; Y1406-F1452 HydrophobicContact CD1-CZ 3.44Å; Y1406-F1452 AromaticContact CE1-CE1 3.7Å; Y1406-F1452 HydrophobicContact CE1-CE1 3.7Å; Y1406-F1452 VanDerWaalsContact CE1-CE1 3.4Å; Y1406-F1452 AromaticContact CE1-CZ 3.58Å; Y1406-F1452 HydrophobicContact CE1-CZ 3.58Å; Y1406-F1452 HydrophobicContact CG-CE1 4.36Å; Y1406-V1454 HydrophobicContact CD1-CG1 4.45Å; Y1406-V1454 HydrophobicContact CD1-CG2 4.37Å; Y1406-V1454 HydrophobicContact CD2-CG1 4.27Å; Y1406-V1454 HydrophobicContact CE1-CG1 4.43Å; Y1406-V1454 HydrophobicContact CE2-CG1 4.24Å; Y1406-V1454 HydrophobicContact CG-CG1 4.37Å; Y1406-V1454 HydrophobicContact CG-CG2 4.42Å; Y1406-D1455 WeakPolarHBondContact OH-CB 3.35Å; Y1406-D1455 PolarHBondContact OH-OD2 3.22Å; Y1406-F1456 HydrophobicContact CE2-CE1 4.25Å; Y1406-F1456 HydrophobicContact CE2-CZ 4.43Å; Y1406-F1456 VanDerWaalsContact CE2-O 3.23Å; Y1406-F1456 WeakPolarHBondContact CE2-O 3.42Å; Y1406-F1456 PolarHBondContact OH-O 2.84Å |
| 1407 | G | 59.6 | Low | 60.9 | Low | 27.8 Ų | 27.8 | 61.7 Ų | 61.7 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1403 R1404 Q1405 I1411 | I1403-G1407 PolarHBondContact O-N 3.03Å; I1403-G1407 VanDerWaalsContact O-N 3.12Å; R1404-G1407 PolarHBondContact O-N 3.16Å; Q1405-G1407 VanDerWaalsContact C-N 3.34Å; Q1405-G1407 PolarHBondContact O-N 3.21Å; G1407-I1411 VanDerWaalsContact O-CD1 3.27Å; G1407-I1411 WeakPolarHBondContact O-CD1 3.31Å; G1407-I1411 VanDerWaalsContact O-CG1 3.28Å; G1407-I1411 WeakPolarHBondContact O-CG1 3.36Å |
| 1408 | T | 51.9 | Low | 58.1 | Low | 73.6 Ų | 73.6 | 65.8 Ų | 65.8 | 45% | 0.452 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.6 | -37.6 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | R1404 Q1405 K1410 I1411 A1412 P1432 I1434 | R1404-T1408 PolarHBondContact O-N 3.18Å; R1404-T1408 PolarHBondContact O-OG1 3.17Å; Q1405-T1408 WeakPolarHBondContact CA-OG1 3.42Å; Q1405-T1408 PolarHBondContact O-N 3.27Å; Q1405-T1408 PolarHBondContact O-OG1 3.22Å; T1408-K1410 VanDerWaalsContact C-N 3.31Å; T1408-K1410 PolarHBondContact O-N 2.98Å; T1408-I1411 PolarHBondContact O-N 3.39Å; T1408-A1412 WeakPolarHBondContact O-CB 3.3Å; T1408-A1412 PolarHBondContact O-N 3.07Å; T1408-P1432 WeakPolarHBondContact CG2-O 3.49Å; T1408-I1434 HydrophobicContact CG2-CD1 4.26Å; T1408-I1434 HydrophobicContact CG2-CG1 3.95Å |
| 1409 | A | 46.2 | Very low | 55.4 | Low | 53 Ų | 53 | 72.9 Ų | 72.9 | 44% | 0.438 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70 | -34.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1405 Y1406 K1413 | Q1405-A1409 WeakPolarHBondContact O-CB 3.41Å; Q1405-A1409 PolarHBondContact O-N 3.27Å; Q1405-A1409 VanDerWaalsContact O-N 3.11Å; Y1406-A1409 PolarHBondContact O-N 3.41Å; A1409-K1413 PolarHBondContact O-N 3.33Å |
| 1410 | K | 39.4 | Very low | 52.7 | Low | 100.2 Ų | 100.2 | 79.7 Ų | 79.7 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.1 | -35.6 | 178.8 | -103.5 | -177.6 | -174.6 | 170.5 | 0 | 112.7 | Y1406 T1408 A1412 K1413 T1414 F1452 D1455 | Y1406-K1410 HydrophobicContact CE1-CD 4.42Å; Y1406-K1410 PolarHBondContact O-N 3.02Å; T1408-K1410 VanDerWaalsContact C-N 3.31Å; T1408-K1410 PolarHBondContact O-N 2.98Å; K1410-A1412 VanDerWaalsContact C-N 3.32Å; K1410-A1412 PolarHBondContact O-N 3.06Å; K1410-K1413 PolarHBondContact O-N 3Å; K1410-K1413 VanDerWaalsContact O-N 3.13Å; K1410-T1414 PolarHBondContact O-N 2.73Å; K1410-T1414 PolarHBondContact O-OG1 3.44Å; K1410-F1452 HydrophobicContact CB-CE2 4.47Å; K1410-F1452 HydrophobicContact CD-CE2 3.67Å; K1410-F1452 HydrophobicContact CD-CZ 3.85Å; K1410-D1455 IonicContact NZ-OD2 2.89Å; K1410-D1455 PolarHBondContact NZ-OD2 3.35Å |
| 1411 | I | 39.2 | Very low | 50 | Low | 63.4 Ų | 63.4 | 84.5 Ų | 84.5 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 179.3 | -63.4 | 169.4 | 0 | 0 | 0 | 110.6 | G1407 T1408 K1413 T1414 T1415 I1434 D1438 | G1407-I1411 VanDerWaalsContact O-CD1 3.27Å; G1407-I1411 WeakPolarHBondContact O-CD1 3.31Å; G1407-I1411 VanDerWaalsContact O-CG1 3.28Å; G1407-I1411 WeakPolarHBondContact O-CG1 3.36Å; T1408-I1411 PolarHBondContact O-N 3.39Å; I1411-K1413 VanDerWaalsContact C-N 3.29Å; I1411-K1413 PolarHBondContact O-N 2.98Å; I1411-K1413 VanDerWaalsContact O-N 3.14Å; I1411-T1414 WeakPolarHBondContact CA-OG1 3.09Å; I1411-T1414 PolarHBondContact O-N 3.03Å; I1411-T1414 VanDerWaalsContact O-N 3.1Å; I1411-T1414 PolarHBondContact O-OG1 3.3Å; I1411-T1415 PolarHBondContact O-N 3.31Å; I1411-T1415 PolarHBondContact O-OG1 3.16Å; I1411-I1434 HydrophobicContact CB-CD1 4.2Å; I1411-I1434 HydrophobicContact CD1-CD1 3.65Å; I1411-I1434 VanDerWaalsContact CD1-CD1 3.49Å; I1411-I1434 HydrophobicContact CG1-CD1 4.48Å; I1411-I1434 HydrophobicContact CG2-CD1 4.1Å; I1411-D1438 HydrophobicContact CD1-CB 3.94Å |
| 1412 | A | 37.4 | Very low | 47.4 | Very low | 64.8 Ų | 64.8 | 91.4 Ų | 91.4 | 54% | 0.536 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -28.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1408 K1410 T1414 T1415 | T1408-A1412 WeakPolarHBondContact O-CB 3.3Å; T1408-A1412 PolarHBondContact O-N 3.07Å; K1410-A1412 VanDerWaalsContact C-N 3.32Å; K1410-A1412 PolarHBondContact O-N 3.06Å; A1412-T1414 VanDerWaalsContact C-N 3.35Å; A1412-T1415 PolarHBondContact O-OG1 3.08Å |
| 1413 | K | 34.3 | Very low | 45 | Very low | 154.2 Ų | 154.2 | 95.9 Ų | 95.9 | 67% | 0.67 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -81.4 | -23.6 | 177.4 | -72.9 | -179.1 | 178.9 | 175.6 | 0 | 113.6 | A1409 K1410 I1411 S1416 | A1409-K1413 PolarHBondContact O-N 3.33Å; K1410-K1413 PolarHBondContact O-N 3Å; K1410-K1413 VanDerWaalsContact O-N 3.13Å; I1411-K1413 VanDerWaalsContact C-N 3.29Å; I1411-K1413 PolarHBondContact O-N 2.98Å; I1411-K1413 VanDerWaalsContact O-N 3.14Å; K1413-S1416 PolarHBondContact O-OG 2.96Å |
| 1414 | T | 35.6 | Very low | 42.3 | Very low | 107.2 Ų | 107.2 | 99.4 Ų | 99.4 | 66% | 0.658 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -86.2 | -18.1 | -178.1 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | K1410 I1411 A1412 | K1410-T1414 PolarHBondContact O-N 2.73Å; K1410-T1414 PolarHBondContact O-OG1 3.44Å; I1411-T1414 WeakPolarHBondContact CA-OG1 3.09Å; I1411-T1414 PolarHBondContact O-N 3.03Å; I1411-T1414 VanDerWaalsContact O-N 3.1Å; I1411-T1414 PolarHBondContact O-OG1 3.3Å; A1412-T1414 VanDerWaalsContact C-N 3.35Å |
| 1415 | T | 36.3 | Very low | 39.8 | Very low | 106.8 Ų | 106.8 | 103.1 Ų | 103.1 | 66% | 0.655 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -95.5 | 7.2 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | I1411 A1412 D1417 | I1411-T1415 PolarHBondContact O-N 3.31Å; I1411-T1415 PolarHBondContact O-OG1 3.16Å; A1412-T1415 PolarHBondContact O-OG1 3.08Å; T1415-D1417 VanDerWaalsContact C-N 3.33Å; T1415-D1417 PolarHBondContact O-N 3.12Å |
| 1416 | S | 36 | Very low | 37.6 | Very low | 85.4 Ų | 85.4 | 111.2 Ų | 111.2 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -93.3 | -0.4 | 176.1 | 66 | 0 | 0 | 0 | 0 | 114.3 | K1413 | K1413-S1416 PolarHBondContact O-OG 2.96Š|
| 1417 | D | 31.4 | Very low | 35.8 | Very low | 145.8 Ų | 145.8 | 113.8 Ų | 113.8 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -116.8 | 35.5 | -173.1 | -74.5 | -3.9 | 0 | 0 | 0 | 112.7 | T1415 | T1415-D1417 VanDerWaalsContact C-N 3.33Å; T1415-D1417 PolarHBondContact O-N 3.12Å |
| 1418 | S | 31 | Very low | 34.2 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -151.8 | 77.5 | 172 | -149.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1419 | E | 32.4 | Very low | 33 | Very low | 180.2 Ų | 180.2 | 121.1 Ų | 121.1 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | trans | -135.5 | 87.5 | 151.4 | -68.3 | -159.6 | 170.2 | 0 | 0 | 112.9 | S1421 | E1419-S1421 PolarHBondContact O-N 2.89Š| ||
| 1420 | T | 32.3 | Very low | 32 | Very low | 144.6 Ų | 144.6 | 129.6 Ų | 129.6 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | trans | -94.7 | 82.3 | 147.6 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1421 | S | 32.9 | Very low | 31.3 | Very low | 100.4 Ų | 100.4 | 135.8 Ų | 135.8 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -155.2 | 106.7 | 156.6 | 57 | 0 | 0 | 0 | 0 | 111.3 | E1419 S1423 | E1419-S1421 PolarHBondContact O-N 2.89Å; S1421-S1423 PolarHBondContact O-N 3.23Å | ||
| 1422 | D | 29.8 | Very low | 30.6 | Very low | 165.6 Ų | 165.6 | 137.5 Ų | 137.5 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | trans | -30.6 | 111.9 | 159.1 | -145.9 | 3.8 | 0 | 0 | 0 | 114.1 | ||||
| 1423 | S | 33.8 | Very low | 30.2 | Very low | 109.8 Ų | 109.8 | 139 Ų | 139 | 77% | 0.768 | 77% | 0.772 | S | S | * | * | trans | 172.9 | 116.6 | 156.5 | -0.8 | 0 | 0 | 0 | 0 | 111.4 | S1421 D1425 | S1421-S1423 PolarHBondContact O-N 3.23Å; S1423-D1425 PolarHBondContact O-N 3.13Å | ||
| 1424 | G | 27.7 | Very low | 29.8 | Very low | 79.8 Ų | 79.8 | 134.9 Ų | 134.9 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | trans | -72.8 | 111.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1425 | D | 30.8 | Very low | 29.6 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -145.5 | 123 | 145.1 | -99.7 | -29.4 | 0 | 0 | 0 | 108.5 | S1423 P1427 | S1423-D1425 PolarHBondContact O-N 3.13Å; D1425-P1427 VanDerWaalsContact O-CD 3.24Å; D1425-P1427 WeakPolarHBondContact O-CD 3.41Å; D1425-P1427 VanDerWaalsContact O-N 3.13Å | ||
| 1426 | R | 25.6 | Very low | 29.4 | Very low | 246.6 Ų | 246.6 | 133.8 Ų | 133.8 | 93% | 0.931 | 75% | 0.745 | S | S | * | * | trans | -58.7 | 119.9 | 179.5 | -76.4 | 173.1 | 167.9 | 166.6 | -4.9 | 110.2 | A1428 | R1426-A1428 PolarHBondContact O-N 2.92Š| ||
| 1427 | P | 27.5 | Very low | 29.4 | Very low | 119.6 Ų | 119.6 | 136.6 Ų | 136.6 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -93.2 | 115.2 | 163.2 | 25.1 | -15 | 0 | 0 | 0 | 109.3 | D1425 N1429 | D1425-P1427 VanDerWaalsContact O-CD 3.24Å; D1425-P1427 WeakPolarHBondContact O-CD 3.41Å; D1425-P1427 VanDerWaalsContact O-N 3.13Å; P1427-N1429 PolarHBondContact O-N 3.27Å | ||
| 1428 | A | 27.4 | Very low | 29.6 | Very low | 85.8 Ų | 85.8 | 134.8 Ų | 134.8 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | -41.9 | 125.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1426 R1430 | R1426-A1428 PolarHBondContact O-N 2.92Å; A1428-R1430 VanDerWaalsContact C-N 3.33Å; A1428-R1430 PolarHBondContact O-N 3.2Å | ||
| 1429 | N | 26.8 | Very low | 29.9 | Very low | 168.8 Ų | 168.8 | 133.5 Ų | 133.5 | 90% | 0.903 | 73% | 0.725 | S | S | * | * | trans | -56.1 | 73.8 | -179.6 | -141.6 | 12.3 | 0 | 0 | 0 | 112.6 | P1427 R1431 | P1427-N1429 PolarHBondContact O-N 3.27Å; N1429-R1431 PolarHBondContact O-N 3.08Å | ||
| 1430 | R | 24.6 | Very low | 29.8 | Very low | 231.2 Ų | 231.2 | 128 Ų | 128 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | trans | -84.6 | 107.5 | 170.4 | -77.5 | -173.1 | -177.7 | -175.1 | 1.4 | 108.5 | A1428 P1432 | A1428-R1430 VanDerWaalsContact C-N 3.33Å; A1428-R1430 PolarHBondContact O-N 3.2Å; R1430-P1432 WeakPolarHBondContact O-CD 3.28Å | ||
| 1431 | R | 24.3 | Very low | 29.8 | Very low | 230.8 Ų | 230.8 | 126.1 Ų | 126.1 | 87% | 0.871 | 70% | 0.7 | S | S | * | * | trans | -51.6 | 122.1 | 165 | -71.9 | 177.1 | 176.3 | 162.6 | -1.8 | 109 | N1429 S1433 | N1429-R1431 PolarHBondContact O-N 3.08Å; R1431-S1433 VanDerWaalsContact C-N 3.28Å; R1431-S1433 PolarHBondContact O-N 3.25Å | ||
| 1432 | P | 25.7 | Very low | 29.6 | Very low | 98.8 Ų | 98.8 | 129.4 Ų | 129.4 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | trans | -79.8 | 97.8 | 171.8 | 29.3 | -26.4 | 0 | 0 | 0 | 108 | T1408 R1430 I1434 | T1408-P1432 WeakPolarHBondContact CG2-O 3.49Å; R1430-P1432 WeakPolarHBondContact O-CD 3.28Å; P1432-I1434 PolarHBondContact O-N 3.14Å; P1432-I1434 VanDerWaalsContact O-N 3.16Å | ||
| 1433 | S | 27.1 | Very low | 29.6 | Very low | 94.8 Ų | 94.8 | 126 Ų | 126 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | trans | -58.5 | 122.4 | 155.7 | 174 | 0 | 0 | 0 | 0 | 106.7 | R1431 T1435 | R1431-S1433 VanDerWaalsContact C-N 3.28Å; R1431-S1433 PolarHBondContact O-N 3.25Å; S1433-T1435 VanDerWaalsContact C-N 3.3Å; S1433-T1435 PolarHBondContact O-N 3.25Å | ||
| 1434 | I | 26.8 | Very low | 29.5 | Very low | 68.4 Ų | 68.4 | 128.9 Ų | 128.9 | 35% | 0.351 | 70% | 0.702 | S | S | . | * | trans | -59.4 | 102.2 | 172.9 | -69 | 170.9 | 0 | 0 | 0 | 107 | R1404 T1408 I1411 P1432 D1438 I1439 | R1404-I1434 VanDerWaalsContact O-CD1 3.25Å; R1404-I1434 WeakPolarHBondContact O-CD1 3.48Å; T1408-I1434 HydrophobicContact CG2-CD1 4.26Å; T1408-I1434 HydrophobicContact CG2-CG1 3.95Å; I1411-I1434 HydrophobicContact CB-CD1 4.2Å; I1411-I1434 HydrophobicContact CD1-CD1 3.65Å; I1411-I1434 VanDerWaalsContact CD1-CD1 3.49Å; I1411-I1434 HydrophobicContact CG1-CD1 4.48Å; I1411-I1434 HydrophobicContact CG2-CD1 4.1Å; P1432-I1434 PolarHBondContact O-N 3.14Å; P1432-I1434 VanDerWaalsContact O-N 3.16Å; I1434-D1438 HydrophobicContact CG2-CB 4.45Å; I1434-I1439 HydrophobicContact CG2-CD1 4.08Å; I1434-I1439 HydrophobicContact CG2-CG1 4.12Å | ||
| 1435 | T | 31.1 | Very low | 29.8 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 53% | 0.528 | 70% | 0.698 | S | S | . | * | trans | -81.1 | 145.7 | 164.4 | 58 | 0 | 0 | 0 | 0 | 107.5 | S1433 M1437 D1438 | S1433-T1435 VanDerWaalsContact C-N 3.3Å; S1433-T1435 PolarHBondContact O-N 3.25Å; T1435-M1437 PolarHBondContact O-N 3.36Å; T1435-D1438 PolarHBondContact N-OD2 3.01Å; T1435-D1438 PolarHBondContact O-N 3.04Å; T1435-D1438 VanDerWaalsContact O-N 3.13Å; T1435-D1438 PolarHBondContact OG1-OD2 3.35Å | ||
| 1436 | L | 33 | Very low | 29.9 | Very low | 104.6 Ų | 104.6 | 135.1 Ų | 135.1 | 55% | 0.548 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.8 | -8.9 | -174.2 | -166.6 | 129.9 | 0 | 0 | 0 | 115.1 | I1441 H1537 | L1436-I1441 HydrophobicContact CD2-CB 4.46Å; L1436-I1441 HydrophobicContact CD2-CD1 3.87Å; L1436-I1441 HydrophobicContact CD2-CG2 4.22Å; L1436-I1441 HydrophobicContact CG-CD1 4.11Å; L1436-H1537 WeakPolarHBondContact CD1-CE1 3.46Å; L1436-H1537 WeakPolarHBondContact CD1-ND1 3.36Å; L1436-H1537 WeakPolarHBondContact CD1-NE2 3.42Å; L1436-H1537 WeakPolarHBondContact CG-CE1 3.44Å |
| 1437 | M | 35 | Very low | 30.4 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 72% | 0.719 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -23.4 | 177.7 | -67.3 | -153.9 | -168.9 | 0 | 0 | 114.1 | T1435 I1439 G1440 | T1435-M1437 PolarHBondContact O-N 3.36Å; M1437-I1439 VanDerWaalsContact C-N 3.28Å; M1437-I1439 PolarHBondContact O-N 3.1Å; M1437-G1440 PolarHBondContact O-N 3.1Å |
| 1438 | D | 36.6 | Very low | 30.9 | Very low | 107.4 Ų | 107.4 | 127.2 Ų | 127.2 | 57% | 0.574 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -10.2 | -175.5 | -69.7 | -30.1 | 0 | 0 | 0 | 113.8 | I1411 I1434 T1435 G1440 | I1411-D1438 HydrophobicContact CD1-CB 3.94Å; I1434-D1438 HydrophobicContact CG2-CB 4.45Å; T1435-D1438 PolarHBondContact N-OD2 3.01Å; T1435-D1438 PolarHBondContact O-N 3.04Å; T1435-D1438 VanDerWaalsContact O-N 3.13Å; T1435-D1438 PolarHBondContact OG1-OD2 3.35Å; D1438-G1440 VanDerWaalsContact C-N 3.31Å; D1438-G1440 PolarHBondContact O-N 3.26Å |
| 1439 | I | 37 | Very low | 31.4 | Very low | 77.8 Ų | 77.8 | 126.5 Ų | 126.5 | 40% | 0.399 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | 26.5 | 167.8 | -55.7 | 176.9 | 0 | 0 | 0 | 109.8 | I1434 M1437 I1441 H1541 | I1434-I1439 HydrophobicContact CG2-CD1 4.08Å; I1434-I1439 HydrophobicContact CG2-CG1 4.12Å; M1437-I1439 VanDerWaalsContact C-N 3.28Å; M1437-I1439 PolarHBondContact O-N 3.1Å; I1439-I1441 WeakPolarHBondContact O-CG1 3.4Å; I1439-I1441 PolarHBondContact O-N 3.38Å; I1439-H1541 HydrophobicContact CG2-CB 4.38Å |
| 1440 | G | 31.1 | Very low | 32.5 | Very low | 63.4 Ų | 63.4 | 126.2 Ų | 126.2 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.4 | 36.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | M1437 D1438 M1442 | M1437-G1440 PolarHBondContact O-N 3.1Å; D1438-G1440 VanDerWaalsContact C-N 3.31Å; D1438-G1440 PolarHBondContact O-N 3.26Å; G1440-M1442 PolarHBondContact O-N 3.12Å |
| 1441 | I | 31.2 | Very low | 34.3 | Very low | 106.4 Ų | 106.4 | 121.3 Ų | 121.3 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | trans | -101.3 | 75.5 | 174 | -53.9 | 178.8 | 0 | 0 | 0 | 109.2 | L1436 I1439 S1443 | L1436-I1441 HydrophobicContact CD2-CB 4.46Å; L1436-I1441 HydrophobicContact CD2-CD1 3.87Å; L1436-I1441 HydrophobicContact CD2-CG2 4.22Å; L1436-I1441 HydrophobicContact CG-CD1 4.11Å; I1439-I1441 WeakPolarHBondContact O-CG1 3.4Å; I1439-I1441 PolarHBondContact O-N 3.38Å; I1441-S1443 VanDerWaalsContact C-N 3.35Å; I1441-S1443 PolarHBondContact O-N 3.34Å | ||
| 1442 | M | 27.9 | Very low | 36.4 | Very low | 169.6 Ų | 169.6 | 114 Ų | 114 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | trans | -178.1 | 50.9 | 162.8 | -71.9 | -168.8 | 79.4 | 0 | 0 | 114 | G1440 N1444 | G1440-M1442 PolarHBondContact O-N 3.12Å; M1442-N1444 PolarHBondContact O-N 2.99Å | ||
| 1443 | S | 30.9 | Very low | 38.5 | Very low | 92.6 Ų | 92.6 | 112.9 Ų | 112.9 | 65% | 0.648 | 61% | 0.613 | S | S | * | * | trans | -99.5 | 118.4 | 157.7 | 55 | 0 | 0 | 0 | 0 | 110.1 | I1441 E1445 | I1441-S1443 VanDerWaalsContact C-N 3.35Å; I1441-S1443 PolarHBondContact O-N 3.34Å; S1443-E1445 PolarHBondContact O-N 3.02Å | ||
| 1444 | N | 32.6 | Very low | 40.6 | Very low | 171.2 Ų | 171.2 | 108.7 Ų | 108.7 | 92% | 0.916 | 58% | 0.583 | S | S | * | * | trans | -57.3 | 45.2 | 176.2 | -87.2 | -6.7 | 0 | 0 | 0 | 114.5 | M1442 | M1442-N1444 PolarHBondContact O-N 2.99Š| ||
| 1445 | E | 32.4 | Very low | 42.6 | Very low | 157.8 Ų | 157.8 | 110.2 Ų | 110.2 | 74% | 0.737 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -123.2 | 140.4 | 168.4 | -75.7 | -174.6 | 164.5 | 0 | 0 | 108 | S1443 V1447 | S1443-E1445 PolarHBondContact O-N 3.02Å; E1445-V1447 VanDerWaalsContact C-N 3.27Å; E1445-V1447 HydrophobicContact CB-CG2 4.13Å; E1445-V1447 PolarHBondContact O-N 3.08Å |
| 1446 | E | 32.8 | Very low | 44.6 | Very low | 208.6 Ų | 208.6 | 111.2 Ų | 111.2 | 98% | 0.975 | 59% | 0.589 | S | S | * | * | trans | -65.5 | 48.7 | -171.9 | -64.2 | 177.5 | 142.1 | 0 | 0 | 113.7 | T1448 | E1446-T1448 PolarHBondContact O-N 3.12Š| ||
| 1447 | V | 36.9 | Very low | 46.9 | Very low | 95.4 Ų | 95.4 | 106.8 Ų | 106.8 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | trans | -77.8 | 119 | 179.6 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | E1445 A1449 | E1445-V1447 VanDerWaalsContact C-N 3.27Å; E1445-V1447 HydrophobicContact CB-CG2 4.13Å; E1445-V1447 PolarHBondContact O-N 3.08Å; V1447-A1449 PolarHBondContact O-N 3.08Å; V1447-A1449 VanDerWaalsContact O-N 3.14Å | ||
| 1448 | T | 37.6 | Very low | 49.2 | Very low | 106.2 Ų | 106.2 | 101.3 Ų | 101.3 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | trans | -34.5 | 113 | 170.5 | 47.5 | 0 | 0 | 0 | 0 | 111.1 | E1446 E1450 | E1446-T1448 PolarHBondContact O-N 3.12Å; T1448-E1450 WeakPolarHBondContact O-CG 3.48Å; T1448-E1450 PolarHBondContact O-N 3.13Å | ||
| 1449 | A | 38.7 | Very low | 51.5 | Low | 70.4 Ų | 70.4 | 98.3 Ų | 98.3 | 58% | 0.582 | 53% | 0.53 | S | S | * | . | trans | -48.8 | 103.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | V1447 Y1451 | V1447-A1449 PolarHBondContact O-N 3.08Å; V1447-A1449 VanDerWaalsContact O-N 3.14Å; A1449-Y1451 VanDerWaalsContact C-N 3.3Å; A1449-Y1451 HydrophobicContact CB-CE2 4.09Å; A1449-Y1451 VanDerWaalsContact O-CD2 3.26Å; A1449-Y1451 WeakPolarHBondContact O-CD2 3.29Å; A1449-Y1451 PolarHBondContact O-N 3.25Å; A1449-Y1451 VanDerWaalsContact O-N 3.09Å | ||
| 1450 | E | 49.5 | Very low | 53.9 | Low | 162.6 Ų | 162.6 | 95.5 Ų | 95.5 | 76% | 0.76 | 52% | 0.515 | S | S | * | . | trans | -74.7 | 99.7 | 179.1 | -73.3 | -170.3 | 161.5 | 0 | 0 | 106.8 | T1448 F1452 | T1448-E1450 WeakPolarHBondContact O-CG 3.48Å; T1448-E1450 PolarHBondContact O-N 3.13Å; E1450-F1452 PolarHBondContact O-N 2.98Å | ||
| 1451 | Y | 62.1 | Low | 56.5 | Low | 129.2 Ų | 129.2 | 93.6 Ų | 93.6 | 51% | 0.507 | 49% | 0.492 | S | S | . | . | trans | -69.2 | 134.9 | 171.2 | -67.1 | -90.1 | 0 | 0 | 0 | 108.9 | L1210 A1449 E1453 T1540 H1541 H1543 | L1210-Y1451 HydrophobicContact CD2-CD2 4.18Å; L1210-Y1451 HydrophobicContact CD2-CE2 3.5Å; A1449-Y1451 VanDerWaalsContact C-N 3.3Å; A1449-Y1451 HydrophobicContact CB-CE2 4.09Å; A1449-Y1451 VanDerWaalsContact O-CD2 3.26Å; A1449-Y1451 WeakPolarHBondContact O-CD2 3.29Å; A1449-Y1451 PolarHBondContact O-N 3.25Å; A1449-Y1451 VanDerWaalsContact O-N 3.09Å; Y1451-E1453 PolarHBondContact O-N 3.04Å; Y1451-T1540 VanDerWaalsContact CE1-O 3.27Å; Y1451-T1540 WeakPolarHBondContact CE1-O 3.36Å; Y1451-H1541 WeakPolarHBondContact CA-O 3.36Å; Y1451-H1543 AromaticContact CD1-NE2 3.78Å; Y1451-H1543 AromaticContact CG-NE2 3.94Å | ||
| 1452 | F | 69.5 | Low | 58.8 | Low | 76.6 Ų | 76.6 | 90.6 Ų | 90.6 | 34% | 0.336 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 115.4 | 175.4 | -162.1 | -91.5 | 0 | 0 | 0 | 109.6 | Y1406 K1410 E1450 V1454 H1541 V1542 H1543 | Y1406-F1452 AromaticContact CD1-CE1 3.38Å; Y1406-F1452 HydrophobicContact CD1-CE1 3.38Å; Y1406-F1452 VanDerWaalsContact CD1-CE1 3.48Å; Y1406-F1452 AromaticContact CD1-CZ 3.44Å; Y1406-F1452 HydrophobicContact CD1-CZ 3.44Å; Y1406-F1452 AromaticContact CE1-CE1 3.7Å; Y1406-F1452 HydrophobicContact CE1-CE1 3.7Å; Y1406-F1452 VanDerWaalsContact CE1-CE1 3.4Å; Y1406-F1452 AromaticContact CE1-CZ 3.58Å; Y1406-F1452 HydrophobicContact CE1-CZ 3.58Å; Y1406-F1452 HydrophobicContact CG-CE1 4.36Å; K1410-F1452 HydrophobicContact CB-CE2 4.47Å; K1410-F1452 HydrophobicContact CD-CE2 3.67Å; K1410-F1452 HydrophobicContact CD-CZ 3.85Å; E1450-F1452 PolarHBondContact O-N 2.98Å; F1452-V1454 HydrophobicContact CD1-CG2 4.08Å; F1452-V1454 HydrophobicContact CE1-CG2 3.91Å; F1452-H1541 PolarHBondContact N-O 3.11Å; F1452-V1542 HydrophobicContact CB-CG2 4.47Å; F1452-V1542 HydrophobicContact CD1-CG1 4.36Å; F1452-V1542 HydrophobicContact CD1-CG2 4.34Å; F1452-V1542 CarbonylContact O-C 3.57Å; F1452-V1542 VanDerWaalsContact O-CA 3.3Å; F1452-V1542 WeakPolarHBondContact O-CA 3.34Å; F1452-H1543 PolarHBondContact O-N 2.95Å |
| 1453 | E | 68.6 | Low | 61.3 | Low | 76.8 Ų | 76.8 | 85.9 Ų | 85.9 | 36% | 0.359 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.8 | 174.3 | -66.4 | -177 | -174.2 | 0 | 0 | 109.1 | R1208 R1212 Y1451 H1543 | R1208-E1453 IonicContact CZ-OE1 3.71Å; R1208-E1453 IonicContact CZ-OE2 3.27Å; R1208-E1453 IonicContact NE-OE2 3.65Å; R1208-E1453 IonicContact NH1-OE1 3.69Å; R1208-E1453 PolarHBondContact NH1-OE1 2.84Å; R1208-E1453 VanDerWaalsContact NH1-OE1 3.1Å; R1208-E1453 IonicContact NH1-OE2 3.75Å; R1208-E1453 PolarHBondContact NH1-OE2 2.9Å; R1208-E1453 IonicContact NH2-OE2 3.35Å; R1208-E1453 PolarHBondContact NH2-OE2 3.33Å; R1212-E1453 IonicContact CZ-OE1 2.95Å; R1212-E1453 IonicContact CZ-OE2 3.73Å; R1212-E1453 IonicContact NH1-OE1 3.52Å; R1212-E1453 PolarHBondContact NH1-OE1 3.3Å; R1212-E1453 VanDerWaalsContact NH2-CD 3.27Å; R1212-E1453 IonicContact NH2-OE1 3.3Å; R1212-E1453 PolarHBondContact NH2-OE1 3.17Å; R1212-E1453 IonicContact NH2-OE2 3.28Å; R1212-E1453 PolarHBondContact NH2-OE2 2.87Å; R1212-E1453 VanDerWaalsContact NH2-OE2 3.14Å; Y1451-E1453 PolarHBondContact O-N 3.04Å; E1453-H1543 WeakPolarHBondContact CA-O 3.22Å; E1453-H1543 HydrophobicContact CG-CB 4.07Å |
| 1454 | V | 70.6 | Confident | 63.5 | Low | 6.6 Ų | 6.6 | 82.7 Ų | 82.7 | 4% | 0.04 | 43% | 0.427 | C | S | . | . | trans | -81.8 | 128.9 | 171.6 | 173.9 | 0 | 0 | 0 | 0 | 108 | Y1406 F1452 F1456 I1457 V1542 H1543 P1545 | Y1406-V1454 HydrophobicContact CD1-CG1 4.45Å; Y1406-V1454 HydrophobicContact CD1-CG2 4.37Å; Y1406-V1454 HydrophobicContact CD2-CG1 4.27Å; Y1406-V1454 HydrophobicContact CE1-CG1 4.43Å; Y1406-V1454 HydrophobicContact CE2-CG1 4.24Å; Y1406-V1454 HydrophobicContact CG-CG1 4.37Å; Y1406-V1454 HydrophobicContact CG-CG2 4.42Å; F1452-V1454 HydrophobicContact CD1-CG2 4.08Å; F1452-V1454 HydrophobicContact CE1-CG2 3.91Å; V1454-F1456 VanDerWaalsContact CG1-O 3.27Å; V1454-F1456 WeakPolarHBondContact CG1-O 3.26Å; V1454-I1457 HydrophobicContact CG1-CD1 4.33Å; V1454-I1457 HydrophobicContact CG1-CG1 3.83Å; V1454-V1542 HydrophobicContact CB-CG1 4.43Å; V1454-V1542 HydrophobicContact CG2-CG1 3.43Å; V1454-V1542 VanDerWaalsContact CG2-CG1 3.45Å; V1454-H1543 PolarHBondContact N-O 3.23Å; V1454-P1545 HydrophobicContact CG1-CG 4.48Å; V1454-P1545 VanDerWaalsContact O-CD 3.26Å; V1454-P1545 WeakPolarHBondContact O-CD 3.41Å; V1454-P1545 VanDerWaalsContact O-CG 3.27Å; V1454-P1545 WeakPolarHBondContact O-CG 3.36Å | ||
| 1455 | D | 69.4 | Low | 65.5 | Low | 99.8 Ų | 99.8 | 74.9 Ų | 74.9 | 53% | 0.534 | 39% | 0.385 | S | S | . | . | trans | -73.8 | -42.1 | -175 | -59.9 | -54 | 0 | 0 | 0 | 111.3 | Y1406 K1410 P1545 | Y1406-D1455 WeakPolarHBondContact OH-CB 3.35Å; Y1406-D1455 PolarHBondContact OH-OD2 3.22Å; K1410-D1455 IonicContact NZ-OD2 2.89Å; K1410-D1455 PolarHBondContact NZ-OD2 3.35Å; D1455-P1545 WeakPolarHBondContact O-CB 3.48Å | ||
| 1456 | F | 73.4 | Confident | 67.1 | Low | 105.6 Ų | 105.6 | 68.5 Ų | 68.5 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | trans | -157.1 | 146.8 | -178.1 | 167.2 | -102.2 | 0 | 0 | 0 | 111.9 | Y1406 V1454 A1458 C2100 | Y1406-F1456 HydrophobicContact CE2-CE1 4.25Å; Y1406-F1456 HydrophobicContact CE2-CZ 4.43Å; Y1406-F1456 VanDerWaalsContact CE2-O 3.23Å; Y1406-F1456 WeakPolarHBondContact CE2-O 3.42Å; Y1406-F1456 PolarHBondContact OH-O 2.84Å; V1454-F1456 VanDerWaalsContact CG1-O 3.27Å; V1454-F1456 WeakPolarHBondContact CG1-O 3.26Å; F1456-A1458 VanDerWaalsContact CE1-CA 3.49Å; F1456-A1458 HydrophobicContact CE1-CB 3.93Å; F1456-A1458 VanDerWaalsContact CE1-N 3.34Å; F1456-A1458 HydrophobicContact CZ-CB 4.3Å; F1456-C2100 HydrophobicContact CE1-CB 4.17Å; F1456-C2100 HydrophobicContact CZ-CB 4.29Å; F1456-C2100 WeakPolarHBondContact CZ-SG 3.41Å | ||
| 1457 | I | 81.2 | Confident | 68.1 | Low | 13.2 Ų | 13.2 | 64.1 Ų | 64.1 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | trans | -126.5 | 122.2 | 167.2 | -65 | 177.2 | 0 | 0 | 0 | 106.7 | Y1375 M1399 I1403 V1454 L1544 | Y1375-I1457 HydrophobicContact CE1-CB 4Å; Y1375-I1457 HydrophobicContact CE1-CD1 4.3Å; Y1375-I1457 HydrophobicContact CE1-CG2 4.31Å; M1399-I1457 HydrophobicContact CG-CD1 4.07Å; I1403-I1457 HydrophobicContact CG1-CD1 4.13Å; V1454-I1457 HydrophobicContact CG1-CD1 4.33Å; V1454-I1457 HydrophobicContact CG1-CG1 3.83Å; I1457-L1544 HydrophobicContact CD1-CD2 3.61Å | ||
| 1458 | A | 82.5 | Confident | 68.5 | Low | 29.8 Ų | 29.8 | 62.1 Ų | 62.1 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 135 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H1398 F1456 C2100 | H1398-A1458 PolarHBondContact CD2-O 3.13Å; H1398-A1458 PolarHBondContact NE2-O 3.22Å; F1456-A1458 VanDerWaalsContact CE1-CA 3.49Å; F1456-A1458 HydrophobicContact CE1-CB 3.93Å; F1456-A1458 VanDerWaalsContact CE1-N 3.34Å; F1456-A1458 HydrophobicContact CZ-CB 4.3Å; A1458-C2100 HydrophobicContact CB-CB 4.34Å |
| 1459 | P | 86.7 | Confident | 68.4 | Low | 44.2 Ų | 44.2 | 60.5 Ų | 60.5 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 150.8 | 172.7 | 27.8 | -33.3 | 0 | 0 | 0 | 110.7 | Q1374 P1461 E2097 C2100 | Q1374-P1459 VanDerWaalsContact CD-CB 3.48Å; Q1374-P1459 HydrophobicContact CG-CB 3.94Å; P1459-P1461 WeakPolarHBondContact O-CD 3.42Å; P1459-E2097 WeakPolarHBondContact CB-OE1 3.41Å; P1459-E2097 WeakPolarHBondContact CG-OE1 3.23Å; P1459-C2100 WeakPolarHBondContact CD-SG 3.28Å; P1459-C2100 HydrophobicContact CG-CB 4.47Å |
| 1460 | L | 86.1 | Confident | 68.1 | Low | 20 Ų | 20 | 62.1 Ų | 62.1 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 128.8 | 170.4 | -150.5 | 84.8 | 0 | 0 | 0 | 108.7 | Q1374 A1394 I1395 H1398 L1462 L1465 | Q1374-L1460 PolarHBondContact NE2-O 3.2Å; Q1374-L1460 PolarHBondContact OE1-O 3.18Å; A1394-L1460 HydrophobicContact CB-CD1 4.18Å; A1394-L1460 HydrophobicContact CB-CD2 4.25Å; I1395-L1460 HydrophobicContact CG1-CD1 4.32Å; H1398-L1460 HydrophobicContact CB-CD1 3.87Å; H1398-L1460 HydrophobicContact CB-CD2 3.86Å; H1398-L1460 HydrophobicContact CB-CG 3.74Å; H1398-L1460 WeakPolarHBondContact ND1-CD1 3.19Å; L1460-L1462 PolarHBondContact O-N 3.02Å; L1460-L1465 HydrophobicContact CB-CD1 4.43Å; L1460-L1465 HydrophobicContact CB-CD2 4.28Å; L1460-L1465 HydrophobicContact CB-CG 4.31Å; L1460-L1465 HydrophobicContact CD1-CD2 3.71Å; L1460-L1465 HydrophobicContact CD2-CD2 3.67Å; L1460-L1465 HydrophobicContact CD2-CG 4.05Å; L1460-L1465 HydrophobicContact CG-CD2 4.39Å; L1460-L1465 HydrophobicContact CG-CG 4.33Å; L1460-L1465 WeakPolarHBondContact O-CD1 3.45Å |
| 1461 | P | 86 | Confident | 67.1 | Low | 24 Ų | 24 | 57 Ų | 57 | 16% | 0.156 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 147.1 | -179.7 | -26.4 | 35.4 | 0 | 0 | 0 | 112.7 | P1459 Y1463 S1464 L1465 Y1496 | P1459-P1461 WeakPolarHBondContact O-CD 3.42Å; P1461-Y1463 VanDerWaalsContact C-N 3.27Å; P1461-Y1463 HydrophobicContact CB-CD1 3.61Å; P1461-Y1463 VanDerWaalsContact CB-CD1 3.5Å; P1461-Y1463 HydrophobicContact CB-CE1 3.23Å; P1461-Y1463 HydrophobicContact CB-CE2 4.43Å; P1461-Y1463 HydrophobicContact CB-CG 4.37Å; P1461-Y1463 HydrophobicContact CG-CE1 3.92Å; P1461-Y1463 PolarHBondContact O-N 3.22Å; P1461-S1464 WeakPolarHBondContact O-CB 3.29Å; P1461-S1464 PolarHBondContact O-N 3.35Å; P1461-S1464 VanDerWaalsContact O-N 3.07Å; P1461-L1465 PolarHBondContact O-N 3Å; P1461-L1465 VanDerWaalsContact O-N 3.12Å; P1461-Y1496 HydrophobicContact CG-CE2 4.02Å |
| 1462 | L | 80.3 | Confident | 65.5 | Low | 41.6 Ų | 41.6 | 58.7 Ų | 58.7 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59 | -38.4 | -177.4 | -89.2 | 157.7 | 0 | 0 | 0 | 112 | L1460 S1464 L1465 I1466 L1947 I2093 E2123 M2126 | L1460-L1462 PolarHBondContact O-N 3.02Å; L1462-S1464 VanDerWaalsContact C-N 3.28Å; L1462-S1464 PolarHBondContact O-N 2.95Å; L1462-L1465 HydrophobicContact CD2-CD1 4.44Å; L1462-L1465 PolarHBondContact O-N 3.05Å; L1462-L1465 VanDerWaalsContact O-N 3.08Å; L1462-I1466 HydrophobicContact CB-CD1 4.34Å; L1462-I1466 HydrophobicContact CD1-CD1 3.88Å; L1462-I1466 HydrophobicContact CD1-CG1 4.41Å; L1462-I1466 HydrophobicContact CG-CD1 3.96Å; L1462-I1466 WeakPolarHBondContact O-CB 3.21Å; L1462-I1466 WeakPolarHBondContact O-CD1 3.43Å; L1462-I1466 VanDerWaalsContact O-CG1 3.27Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.3Å; L1462-I1466 PolarHBondContact O-N 3.07Å; L1462-I1466 VanDerWaalsContact O-N 3.12Å; L1462-L1947 HydrophobicContact CD1-CD1 4.11Å; L1462-L1947 HydrophobicContact CD2-CD1 4.11Å; L1462-I2093 HydrophobicContact CD1-CB 4.08Å; L1462-I2093 HydrophobicContact CD1-CD1 4.27Å; L1462-I2093 HydrophobicContact CD1-CG2 3.78Å; L1462-I2093 HydrophobicContact CD2-CD1 3.81Å; L1462-I2093 HydrophobicContact CD2-CG2 3.98Å; L1462-I2093 HydrophobicContact CG-CB 4.41Å; L1462-I2093 HydrophobicContact CG-CD1 4.43Å; L1462-I2093 HydrophobicContact CG-CG2 3.61Å; L1462-E2123 WeakPolarHBondContact CB-OE2 3.38Å; L1462-E2123 PolarHBondContact N-OE1 3.17Å; L1462-E2123 VanDerWaalsContact N-OE1 3.14Å; L1462-M2126 HydrophobicContact CB-CB 4.47Å; L1462-M2126 HydrophobicContact CB-CG 4.21Å |
| 1463 | Y | 79.5 | Confident | 63.5 | Low | 72.6 Ų | 72.6 | 60.3 Ų | 60.3 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 177.3 | 68.7 | -98.2 | 0 | 0 | 0 | 112.1 | P1461 L1465 I1466 Y1467 K2122 E2123 M2126 | P1461-Y1463 VanDerWaalsContact C-N 3.27Å; P1461-Y1463 HydrophobicContact CB-CD1 3.61Å; P1461-Y1463 VanDerWaalsContact CB-CD1 3.5Å; P1461-Y1463 HydrophobicContact CB-CE1 3.23Å; P1461-Y1463 HydrophobicContact CB-CE2 4.43Å; P1461-Y1463 HydrophobicContact CB-CG 4.37Å; P1461-Y1463 HydrophobicContact CG-CE1 3.92Å; P1461-Y1463 PolarHBondContact O-N 3.22Å; Y1463-L1465 VanDerWaalsContact C-N 3.28Å; Y1463-L1465 PolarHBondContact O-N 3.09Å; Y1463-I1466 PolarHBondContact O-N 3.05Å; Y1463-Y1467 CarbonylContact O-C 3.51Å; Y1463-Y1467 WeakPolarHBondContact O-CA 3.47Å; Y1463-Y1467 WeakPolarHBondContact O-CB 3.36Å; Y1463-Y1467 PolarHBondContact O-N 3.11Å; Y1463-K2122 HydrophobicContact CD1-CB 3.58Å; Y1463-K2122 HydrophobicContact CD1-CD 4.11Å; Y1463-K2122 HydrophobicContact CD2-CB 4.31Å; Y1463-K2122 HydrophobicContact CD2-CD 3.64Å; Y1463-K2122 HydrophobicContact CE1-CB 4.09Å; Y1463-K2122 HydrophobicContact CE1-CD 4.05Å; Y1463-K2122 HydrophobicContact CE2-CD 3.59Å; Y1463-K2122 HydrophobicContact CG-CB 3.71Å; Y1463-K2122 HydrophobicContact CG-CD 3.92Å; Y1463-K2122 HydrophobicContact CG-CG 4.4Å; Y1463-E2123 HydrophobicContact CD1-CG 4.25Å; Y1463-E2123 WeakPolarHBondContact CD1-OE1 3.26Å; Y1463-M2126 VanDerWaalsContact CA-SD 3.57Å; Y1463-M2126 VanDerWaalsContact CB-CE 3.44Å |
| 1464 | S | 76.7 | Confident | 61.4 | Low | 25 Ų | 25 | 64.6 Ų | 64.6 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.4 | -28.5 | 177.6 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | P1461 L1462 I1466 P1468 L1492 | P1461-S1464 WeakPolarHBondContact O-CB 3.29Å; P1461-S1464 PolarHBondContact O-N 3.35Å; P1461-S1464 VanDerWaalsContact O-N 3.07Å; L1462-S1464 VanDerWaalsContact C-N 3.28Å; L1462-S1464 PolarHBondContact O-N 2.95Å; S1464-I1466 VanDerWaalsContact C-N 3.33Å; S1464-P1468 WeakPolarHBondContact O-CD 3.4Å; S1464-P1468 WeakPolarHBondContact O-CG 3.24Å; S1464-L1492 WeakPolarHBondContact OG-CD1 3.32Å |
| 1465 | L | 75.3 | Confident | 59.3 | Low | 6.2 Ų | 6.2 | 73.2 Ų | 73.2 | 3% | 0.032 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -76.9 | -29.2 | 175.8 | -68.4 | 170.3 | 0 | 0 | 0 | 112.7 | M1391 A1394 I1395 L1460 P1461 L1462 Y1463 P1468 L1947 | M1391-L1465 HydrophobicContact CE-CB 4.26Å; M1391-L1465 WeakPolarHBondContact CE-O 3.34Å; M1391-L1465 HydrophobicContact CG-CB 4.2Å; M1391-L1465 HydrophobicContact CG-CD1 4.36Å; M1391-L1465 HydrophobicContact CG-CD2 3.75Å; M1391-L1465 HydrophobicContact CG-CG 4.24Å; M1391-L1465 HydrophobicContact SD-CB 4.18Å; M1391-L1465 HydrophobicContact SD-CD1 4.41Å; A1394-L1465 HydrophobicContact CB-CD2 4.47Å; I1395-L1465 HydrophobicContact CD1-CD2 4.3Å; I1395-L1465 HydrophobicContact CG1-CD2 3.88Å; L1460-L1465 HydrophobicContact CB-CD1 4.43Å; L1460-L1465 HydrophobicContact CB-CD2 4.28Å; L1460-L1465 HydrophobicContact CB-CG 4.31Å; L1460-L1465 HydrophobicContact CD1-CD2 3.71Å; L1460-L1465 HydrophobicContact CD2-CD2 3.67Å; L1460-L1465 HydrophobicContact CD2-CG 4.05Å; L1460-L1465 HydrophobicContact CG-CD2 4.39Å; L1460-L1465 HydrophobicContact CG-CG 4.33Å; L1460-L1465 WeakPolarHBondContact O-CD1 3.45Å; P1461-L1465 PolarHBondContact O-N 3Å; P1461-L1465 VanDerWaalsContact O-N 3.12Å; L1462-L1465 HydrophobicContact CD2-CD1 4.44Å; L1462-L1465 PolarHBondContact O-N 3.05Å; L1462-L1465 VanDerWaalsContact O-N 3.08Å; Y1463-L1465 VanDerWaalsContact C-N 3.28Å; Y1463-L1465 PolarHBondContact O-N 3.09Å; L1465-P1468 WeakPolarHBondContact O-CD 3.5Å; L1465-L1947 HydrophobicContact CD1-CD1 4.37Å; L1465-L1947 HydrophobicContact CD1-CD2 4.17Å |
| 1466 | I | 65.2 | Low | 57.3 | Low | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.128 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -97 | -38.3 | -174.3 | -63.2 | 169.5 | 0 | 0 | 0 | 111.9 | L1462 Y1463 S1464 P1468 E1469 V1470 I1585 F1586 P1587 M2126 L2129 L2130 | L1462-I1466 HydrophobicContact CB-CD1 4.34Å; L1462-I1466 HydrophobicContact CD1-CD1 3.88Å; L1462-I1466 HydrophobicContact CD1-CG1 4.41Å; L1462-I1466 HydrophobicContact CG-CD1 3.96Å; L1462-I1466 WeakPolarHBondContact O-CB 3.21Å; L1462-I1466 WeakPolarHBondContact O-CD1 3.43Å; L1462-I1466 VanDerWaalsContact O-CG1 3.27Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.3Å; L1462-I1466 PolarHBondContact O-N 3.07Å; L1462-I1466 VanDerWaalsContact O-N 3.12Å; Y1463-I1466 PolarHBondContact O-N 3.05Å; S1464-I1466 VanDerWaalsContact C-N 3.33Å; I1466-P1468 VanDerWaalsContact C-CD 3.48Å; I1466-P1468 VanDerWaalsContact C-N 3.28Å; I1466-P1468 VanDerWaalsContact O-CD 3.27Å; I1466-P1468 WeakPolarHBondContact O-CD 3.28Å; I1466-P1468 VanDerWaalsContact O-N 3.09Å; I1466-E1469 CarbonylContact O-C 3.57Å; I1466-E1469 VanDerWaalsContact O-CA 3.26Å; I1466-E1469 WeakPolarHBondContact O-CA 3.19Å; I1466-E1469 VanDerWaalsContact O-CB 3.28Å; I1466-E1469 WeakPolarHBondContact O-CB 3.2Å; I1466-E1469 WeakPolarHBondContact O-CG 3.39Å; I1466-E1469 PolarHBondContact O-N 3.05Å; I1466-V1470 HydrophobicContact CG2-CG2 3.94Å; I1466-V1470 PolarHBondContact O-N 2.95Å; I1466-V1470 VanDerWaalsContact O-N 3.11Å; I1466-I1585 WeakPolarHBondContact CG2-O 3.41Å; I1466-F1586 HydrophobicContact CD1-CD1 4.25Å; I1466-F1586 HydrophobicContact CD1-CE1 4.02Å; I1466-F1586 HydrophobicContact CG1-CD1 3.75Å; I1466-F1586 HydrophobicContact CG1-CE1 3.71Å; I1466-P1587 VanDerWaalsContact CG2-CD 3.47Å; I1466-P1587 HydrophobicContact CG2-CG 4.37Å; I1466-P1587 VanDerWaalsContact O-CD 3.22Å; I1466-P1587 WeakPolarHBondContact O-CD 3.27Å; I1466-M2126 HydrophobicContact CB-SD 4.09Å; I1466-M2126 HydrophobicContact CD1-CG 4.48Å; I1466-M2126 HydrophobicContact CD1-SD 4.05Å; I1466-M2126 HydrophobicContact CG2-SD 4.18Å; I1466-L2129 HydrophobicContact CG2-CD2 3.95Å; I1466-L2130 HydrophobicContact CD1-CD1 3.8Å; I1466-L2130 HydrophobicContact CD1-CD2 4.03Å; I1466-L2130 HydrophobicContact CD1-CG 4.15Å |
| 1467 | Y | 54.3 | Low | 55.1 | Low | 115.4 Ų | 115.4 | 75.5 Ų | 75.5 | 45% | 0.453 | 42% | 0.418 | S | S | . | . | trans | -87.8 | 19.1 | -173.9 | -112.4 | -93 | 0 | 0 | 0 | 114.5 | Y1463 E1469 V1470 P1587 E2125 M2126 L2129 | Y1463-Y1467 CarbonylContact O-C 3.51Å; Y1463-Y1467 WeakPolarHBondContact O-CA 3.47Å; Y1463-Y1467 WeakPolarHBondContact O-CB 3.36Å; Y1463-Y1467 PolarHBondContact O-N 3.11Å; Y1467-E1469 VanDerWaalsContact C-N 3.31Å; Y1467-E1469 PolarHBondContact O-N 3.23Å; Y1467-E1469 VanDerWaalsContact O-N 3.1Å; Y1467-V1470 HydrophobicContact CD1-CB 4.37Å; Y1467-V1470 HydrophobicContact CD1-CG2 4.08Å; Y1467-V1470 VanDerWaalsContact CD1-CG2 3.42Å; Y1467-V1470 HydrophobicContact CD2-CG2 4.49Å; Y1467-V1470 HydrophobicContact CE1-CB 4.14Å; Y1467-V1470 HydrophobicContact CE1-CG2 4.14Å; Y1467-V1470 HydrophobicContact CE2-CG2 4.42Å; Y1467-V1470 HydrophobicContact CG-CG2 4.38Å; Y1467-V1470 CarbonylContact O-C 3.6Å; Y1467-V1470 PolarHBondContact O-N 2.93Å; Y1467-V1470 VanDerWaalsContact O-N 3.13Å; Y1467-P1587 HydrophobicContact CD1-CG 4.13Å; Y1467-P1587 HydrophobicContact CE1-CG 4.07Å; Y1467-E2125 PolarHBondContact OH-OE2 3.12Å; Y1467-M2126 HydrophobicContact CD2-CE 3.23Å; Y1467-M2126 HydrophobicContact CD2-SD 3.68Å; Y1467-M2126 VanDerWaalsContact CD2-SD 3.56Å; Y1467-M2126 HydrophobicContact CE2-CE 3.25Å; Y1467-M2126 HydrophobicContact CE2-SD 3.84Å; Y1467-M2126 VanDerWaalsContact CE2-SD 3.53Å; Y1467-M2126 HydrophobicContact CG-CE 3.86Å; Y1467-L2129 HydrophobicContact CE2-CD2 4.01Å; Y1467-L2129 WeakPolarHBondContact OH-CD2 3.36Å | ||
| 1468 | P | 44.3 | Very low | 52.4 | Low | 53 Ų | 53 | 79.8 Ų | 79.8 | 34% | 0.344 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.5 | 173.4 | -13 | 23 | 0 | 0 | 0 | 113.8 | S1464 L1465 I1466 V1488 L1588 I1589 | S1464-P1468 WeakPolarHBondContact O-CD 3.4Å; S1464-P1468 WeakPolarHBondContact O-CG 3.24Å; L1465-P1468 WeakPolarHBondContact O-CD 3.5Å; I1466-P1468 VanDerWaalsContact C-CD 3.48Å; I1466-P1468 VanDerWaalsContact C-N 3.28Å; I1466-P1468 VanDerWaalsContact O-CD 3.27Å; I1466-P1468 WeakPolarHBondContact O-CD 3.28Å; I1466-P1468 VanDerWaalsContact O-N 3.09Å; P1468-V1488 HydrophobicContact CB-CB 4.46Å; P1468-V1488 HydrophobicContact CB-CG1 4.02Å; P1468-V1488 HydrophobicContact CB-CG2 3.78Å; P1468-V1488 WeakPolarHBondContact O-CG1 3.3Å; P1468-V1488 WeakPolarHBondContact O-CG2 3.29Å; P1468-L1588 WeakPolarHBondContact CD-O 3.39Å; P1468-I1589 HydrophobicContact CB-CG2 4.24Å; P1468-I1589 HydrophobicContact CG-CB 4.14Å; P1468-I1589 HydrophobicContact CG-CD1 3.65Å; P1468-I1589 HydrophobicContact CG-CG1 3.63Å; P1468-I1589 VanDerWaalsContact CG-CG1 3.43Å; P1468-I1589 HydrophobicContact CG-CG2 4.01Å |
| 1469 | E | 36.3 | Very low | 49.7 | Very low | 72 Ų | 72 | 87.9 Ų | 87.9 | 34% | 0.336 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 5.5 | -170.5 | -65 | -166.7 | 166.5 | 0 | 0 | 116.2 | K1388 M1391 I1466 Y1467 G1471 W1575 L1588 N1590 | K1388-E1469 WeakPolarHBondContact CD-OE1 3.35Å; K1388-E1469 VanDerWaalsContact CE-OE1 3.31Å; K1388-E1469 WeakPolarHBondContact CE-OE1 3.41Å; K1388-E1469 IonicContact NZ-OE1 3.74Å; K1388-E1469 PolarHBondContact NZ-OE1 3.22Å; K1388-E1469 IonicContact NZ-OE2 3.27Å; K1388-E1469 PolarHBondContact NZ-OE2 3.06Å; K1388-E1469 VanDerWaalsContact NZ-OE2 3.14Å; M1391-E1469 VanDerWaalsContact CE-OE1 3.28Å; M1391-E1469 WeakPolarHBondContact CE-OE1 3.47Å; I1466-E1469 CarbonylContact O-C 3.57Å; I1466-E1469 VanDerWaalsContact O-CA 3.26Å; I1466-E1469 WeakPolarHBondContact O-CA 3.19Å; I1466-E1469 VanDerWaalsContact O-CB 3.28Å; I1466-E1469 WeakPolarHBondContact O-CB 3.2Å; I1466-E1469 WeakPolarHBondContact O-CG 3.39Å; I1466-E1469 PolarHBondContact O-N 3.05Å; Y1467-E1469 VanDerWaalsContact C-N 3.31Å; Y1467-E1469 PolarHBondContact O-N 3.23Å; Y1467-E1469 VanDerWaalsContact O-N 3.1Å; E1469-G1471 PolarHBondContact O-N 2.99Å; E1469-G1471 VanDerWaalsContact O-N 3.17Å; E1469-W1575 VanDerWaalsContact O-CH2 3.27Å; E1469-W1575 WeakPolarHBondContact O-CH2 2.99Å; E1469-W1575 WeakPolarHBondContact O-CZ2 3.45Å; E1469-L1588 HydrophobicContact CB-CB 4.46Å; E1469-L1588 HydrophobicContact CG-CB 4.27Å; E1469-L1588 VanDerWaalsContact OE2-CB 3.3Å; E1469-L1588 WeakPolarHBondContact OE2-CB 3.46Å; E1469-L1588 WeakPolarHBondContact OE2-CD2 3.2Å; E1469-N1590 HydrophobicContact CG-CB 3.69Å; E1469-N1590 WeakPolarHBondContact OE1-CB 3.37Å; E1469-N1590 VanDerWaalsContact OE1-CG 3.27Å; E1469-N1590 PolarHBondContact OE1-ND2 3.44Å; E1469-N1590 PolarHBondContact OE2-N 3.46Å |
| 1470 | V | 31.8 | Very low | 46.9 | Very low | 104.8 Ų | 104.8 | 91.8 Ų | 91.8 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -87.1 | 48.7 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | I1466 Y1467 | I1466-V1470 HydrophobicContact CG2-CG2 3.94Å; I1466-V1470 PolarHBondContact O-N 2.95Å; I1466-V1470 VanDerWaalsContact O-N 3.11Å; Y1467-V1470 HydrophobicContact CD1-CB 4.37Å; Y1467-V1470 HydrophobicContact CD1-CG2 4.08Å; Y1467-V1470 VanDerWaalsContact CD1-CG2 3.42Å; Y1467-V1470 HydrophobicContact CD2-CG2 4.49Å; Y1467-V1470 HydrophobicContact CE1-CB 4.14Å; Y1467-V1470 HydrophobicContact CE1-CG2 4.14Å; Y1467-V1470 HydrophobicContact CE2-CG2 4.42Å; Y1467-V1470 HydrophobicContact CG-CG2 4.38Å; Y1467-V1470 CarbonylContact O-C 3.6Å; Y1467-V1470 PolarHBondContact O-N 2.93Å; Y1467-V1470 VanDerWaalsContact O-N 3.13Å |
| 1471 | G | 29.5 | Very low | 44 | Very low | 56.4 Ų | 56.4 | 98.6 Ų | 98.6 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | trans | -92 | 70.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1469 S1473 M1580 | E1469-G1471 PolarHBondContact O-N 2.99Å; E1469-G1471 VanDerWaalsContact O-N 3.17Å; G1471-S1473 PolarHBondContact O-N 3.32Å; G1471-M1580 WeakPolarHBondContact O-CE 3.44Å | ||
| 1472 | E | 28 | Very low | 41.2 | Very low | 165 Ų | 165 | 103.5 Ų | 103.5 | 77% | 0.771 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -101.8 | 24.1 | 179.5 | -74.7 | -170.1 | 159.8 | 0 | 0 | 116.1 | E1474 K1475 | E1472-E1474 VanDerWaalsContact C-N 3.3Å; E1472-E1474 PolarHBondContact O-N 2.97Å; E1472-E1474 VanDerWaalsContact O-N 3.11Å; E1472-K1475 PolarHBondContact O-N 3.34Å |
| 1473 | S | 26.8 | Very low | 38.6 | Very low | 109.8 Ų | 109.8 | 109.3 Ų | 109.3 | 77% | 0.768 | 60% | 0.599 | S | S | * | * | trans | -75.5 | 2.2 | 179.8 | 160.2 | 0 | 0 | 0 | 0 | 114.1 | G1471 | G1471-S1473 PolarHBondContact O-N 3.32Š| ||
| 1474 | E | 26.1 | Very low | 36.1 | Very low | 167.6 Ų | 167.6 | 111.5 Ų | 111.5 | 78% | 0.783 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -111.5 | 2.2 | -179.3 | -82.6 | -166.9 | 168.1 | 0 | 0 | 116 | H851 E1472 A1476 | H851-E1474 IonicContact NE2-OE1 3.05Å; E1472-E1474 VanDerWaalsContact C-N 3.3Å; E1472-E1474 PolarHBondContact O-N 2.97Å; E1472-E1474 VanDerWaalsContact O-N 3.11Å; E1474-A1476 PolarHBondContact O-N 2.99Å |
| 1475 | K | 26.1 | Very low | 33.8 | Very low | 186.2 Ų | 186.2 | 115.4 Ų | 115.4 | 81% | 0.81 | 65% | 0.648 | S | S | * | * | trans | -125.6 | 29 | 177.3 | -68.7 | -179.1 | -177.1 | 164.9 | 0 | 116.3 | E1472 I1477 S1478 | E1472-K1475 PolarHBondContact O-N 3.34Å; K1475-I1477 VanDerWaalsContact C-N 3.29Å; K1475-I1477 PolarHBondContact O-N 2.87Å; K1475-S1478 PolarHBondContact O-N 3.15Å | ||
| 1476 | A | 26.2 | Very low | 31.5 | Very low | 95.4 Ų | 95.4 | 123.1 Ų | 123.1 | 79% | 0.788 | 68% | 0.684 | S | S | * | * | trans | -98.9 | 26.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1474 S1478 | E1474-A1476 PolarHBondContact O-N 2.99Å; A1476-S1478 VanDerWaalsContact C-N 3.32Å; A1476-S1478 PolarHBondContact O-N 3.37Å | ||
| 1477 | I | 27.3 | Very low | 29.9 | Very low | 158.8 Ų | 158.8 | 127.4 Ų | 127.4 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -114.5 | 50 | 167.4 | -62.9 | 169.3 | 0 | 0 | 0 | 110.4 | K1475 K1479 | K1475-I1477 VanDerWaalsContact C-N 3.29Å; K1475-I1477 PolarHBondContact O-N 2.87Å; I1477-K1479 PolarHBondContact O-N 3.08Å; I1477-K1479 VanDerWaalsContact O-N 3.12Å |
| 1478 | S | 26.1 | Very low | 28.9 | Very low | 102.6 Ų | 102.6 | 126.2 Ų | 126.2 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | -150.3 | 96.8 | 167.9 | -60.1 | 0 | 0 | 0 | 0 | 114.1 | K1475 A1476 T1480 | K1475-S1478 PolarHBondContact O-N 3.15Å; A1476-S1478 VanDerWaalsContact C-N 3.32Å; A1476-S1478 PolarHBondContact O-N 3.37Å; S1478-T1480 PolarHBondContact O-N 3.2Å | ||
| 1479 | K | 25.7 | Very low | 28.2 | Very low | 200 Ų | 200 | 125.6 Ų | 125.6 | 87% | 0.87 | 71% | 0.711 | S | S | * | * | trans | -75.2 | 107.2 | 152.9 | -74.2 | 169.9 | -178.9 | 177.3 | 0 | 114.6 | I1477 | I1477-K1479 PolarHBondContact O-N 3.08Å; I1477-K1479 VanDerWaalsContact O-N 3.12Å | ||
| 1480 | T | 26.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | -77 | 115.2 | 150.6 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | S1478 T1482 | S1478-T1480 PolarHBondContact O-N 3.2Å; T1480-T1482 PolarHBondContact O-N 3.39Å | ||
| 1481 | N | 26.7 | Very low | 28.3 | Very low | 162.6 Ų | 162.6 | 128.1 Ų | 128.1 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | trans | -12.6 | 112.5 | 154.3 | -81.4 | -15.2 | 0 | 0 | 0 | 114.8 | ||||
| 1482 | T | 26.8 | Very low | 28.7 | Very low | 126.8 Ų | 126.8 | 128 Ų | 128 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | trans | -140.6 | 129.2 | 144.2 | 42.2 | 0 | 0 | 0 | 0 | 109.9 | T1480 T1484 | T1480-T1482 PolarHBondContact O-N 3.39Å; T1482-T1484 PolarHBondContact O-N 3.09Å; T1482-T1484 VanDerWaalsContact O-N 3.09Å | ||
| 1483 | N | 26.1 | Very low | 29.1 | Very low | 162.2 Ų | 162.2 | 125 Ų | 125 | 87% | 0.867 | 69% | 0.688 | S | S | * | * | trans | -56 | 98.5 | 173.5 | -69.5 | -23 | 0 | 0 | 0 | 112.7 | ||||
| 1484 | T | 27.5 | Very low | 29.6 | Very low | 119.6 Ų | 119.6 | 122.3 Ų | 122.3 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | trans | -157.5 | 78.8 | 161.4 | 0.4 | 0 | 0 | 0 | 0 | 110.6 | T1482 Q1486 | T1482-T1484 PolarHBondContact O-N 3.09Å; T1482-T1484 VanDerWaalsContact O-N 3.09Å; T1484-Q1486 VanDerWaalsContact C-N 3.27Å; T1484-Q1486 HydrophobicContact CG2-CG 4.18Å; T1484-Q1486 PolarHBondContact O-N 2.98Å; T1484-Q1486 VanDerWaalsContact O-N 3.12Å | ||
| 1485 | S | 26.8 | Very low | 30.2 | Very low | 107.4 Ų | 107.4 | 117.8 Ų | 117.8 | 75% | 0.751 | 65% | 0.651 | S | S | * | * | trans | -86.3 | 102.1 | 161.6 | 33.4 | 0 | 0 | 0 | 0 | 109 | N1487 | S1485-N1487 PolarHBondContact O-N 3.29Å; S1485-N1487 PolarHBondContact O-ND2 3.04Å | ||
| 1486 | Q | 28.5 | Very low | 30.7 | Very low | 166.8 Ų | 166.8 | 113.4 Ų | 113.4 | 78% | 0.779 | 63% | 0.63 | S | S | * | * | trans | -81.8 | 111.5 | 172.2 | -72.3 | 175.3 | -28 | 0 | 0 | 110 | T1484 V1488 | T1484-Q1486 VanDerWaalsContact C-N 3.27Å; T1484-Q1486 HydrophobicContact CG2-CG 4.18Å; T1484-Q1486 PolarHBondContact O-N 2.98Å; T1484-Q1486 VanDerWaalsContact O-N 3.12Å; Q1486-V1488 PolarHBondContact O-N 3.37Å | ||
| 1487 | N | 30.4 | Very low | 31.2 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | trans | -90.8 | 124.2 | 174.8 | -78.1 | -35 | 0 | 0 | 0 | 111.8 | S1485 A1489 D1490 M1491 T1525 | S1485-N1487 PolarHBondContact O-N 3.29Å; S1485-N1487 PolarHBondContact O-ND2 3.04Å; N1487-A1489 VanDerWaalsContact C-N 3.28Å; N1487-A1489 PolarHBondContact O-N 3.11Å; N1487-A1489 VanDerWaalsContact O-N 3.13Å; N1487-D1490 WeakPolarHBondContact O-CA 3.46Å; N1487-D1490 VanDerWaalsContact O-CB 3.27Å; N1487-D1490 WeakPolarHBondContact O-CB 3.42Å; N1487-D1490 PolarHBondContact O-N 3.12Å; N1487-M1491 PolarHBondContact O-N 3.27Å; N1487-T1525 HydrophobicContact CB-CG2 4.06Å | ||
| 1488 | V | 32.5 | Very low | 31.6 | Very low | 90.6 Ų | 90.6 | 108.2 Ų | 108.2 | 55% | 0.549 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.1 | -12.1 | -178.8 | -172.7 | 0 | 0 | 0 | 0 | 113.1 | P1468 Q1486 D1490 M1491 L1492 | P1468-V1488 HydrophobicContact CB-CB 4.46Å; P1468-V1488 HydrophobicContact CB-CG1 4.02Å; P1468-V1488 HydrophobicContact CB-CG2 3.78Å; P1468-V1488 WeakPolarHBondContact O-CG1 3.3Å; P1468-V1488 WeakPolarHBondContact O-CG2 3.29Å; Q1486-V1488 PolarHBondContact O-N 3.37Å; V1488-D1490 VanDerWaalsContact C-N 3.33Å; V1488-D1490 PolarHBondContact O-N 2.87Å; V1488-M1491 CarbonylContact O-C 3.46Å; V1488-M1491 WeakPolarHBondContact O-CA 3.37Å; V1488-M1491 VanDerWaalsContact O-CB 3.32Å; V1488-M1491 WeakPolarHBondContact O-CB 3.34Å; V1488-M1491 PolarHBondContact O-N 2.91Å; V1488-L1492 HydrophobicContact CG1-CD1 4.25Å; V1488-L1492 WeakPolarHBondContact O-CB 3.42Å; V1488-L1492 PolarHBondContact O-N 3.09Å |
| 1489 | A | 30.4 | Very low | 32 | Very low | 39.8 Ų | 39.8 | 108.9 Ų | 108.9 | 33% | 0.329 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.1 | -29.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1487 M1491 L1492 W1493 T1525 | N1487-A1489 VanDerWaalsContact C-N 3.28Å; N1487-A1489 PolarHBondContact O-N 3.11Å; N1487-A1489 VanDerWaalsContact O-N 3.13Å; A1489-M1491 VanDerWaalsContact C-N 3.31Å; A1489-M1491 PolarHBondContact O-N 3.04Å; A1489-L1492 WeakPolarHBondContact O-CB 3.48Å; A1489-L1492 PolarHBondContact O-N 3.05Å; A1489-L1492 VanDerWaalsContact O-N 3.13Å; A1489-W1493 WeakPolarHBondContact O-CB 3.43Å; A1489-W1493 PolarHBondContact O-N 3.04Å; A1489-W1493 VanDerWaalsContact O-N 3.11Å; A1489-T1525 HydrophobicContact CB-CG2 3.76Å |
| 1490 | D | 35 | Very low | 32.3 | Very low | 108.8 Ų | 108.8 | 104.9 Ų | 104.9 | 58% | 0.582 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.7 | -22.5 | 178.9 | -83.5 | -11.4 | 0 | 0 | 0 | 112.7 | N1487 V1488 L1492 W1493 S1494 | N1487-D1490 WeakPolarHBondContact O-CA 3.46Å; N1487-D1490 VanDerWaalsContact O-CB 3.27Å; N1487-D1490 WeakPolarHBondContact O-CB 3.42Å; N1487-D1490 PolarHBondContact O-N 3.12Å; V1488-D1490 VanDerWaalsContact C-N 3.33Å; V1488-D1490 PolarHBondContact O-N 2.87Å; D1490-L1492 VanDerWaalsContact C-N 3.33Å; D1490-L1492 PolarHBondContact O-N 3.41Å; D1490-W1493 PolarHBondContact O-N 2.67Å; D1490-S1494 WeakPolarHBondContact O-CA 3.23Å; D1490-S1494 VanDerWaalsContact O-CB 3.31Å; D1490-S1494 WeakPolarHBondContact O-CB 3.41Å; D1490-S1494 PolarHBondContact O-N 3.07Å; D1490-S1494 PolarHBondContact O-OG 3.02Å; D1490-S1494 VanDerWaalsContact O-OG 3.05Å |
| 1491 | M | 35.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 104.3 Ų | 104.3 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.1 | -21.8 | 176.4 | -138.7 | 143 | -174 | 0 | 0 | 111.9 | N1487 V1488 A1489 W1493 S1494 D1495 | N1487-M1491 PolarHBondContact O-N 3.27Å; V1488-M1491 CarbonylContact O-C 3.46Å; V1488-M1491 WeakPolarHBondContact O-CA 3.37Å; V1488-M1491 VanDerWaalsContact O-CB 3.32Å; V1488-M1491 WeakPolarHBondContact O-CB 3.34Å; V1488-M1491 PolarHBondContact O-N 2.91Å; A1489-M1491 VanDerWaalsContact C-N 3.31Å; A1489-M1491 PolarHBondContact O-N 3.04Å; M1491-W1493 VanDerWaalsContact C-N 3.33Å; M1491-W1493 PolarHBondContact O-N 3.49Å; M1491-S1494 WeakPolarHBondContact CA-OG 3.36Å; M1491-S1494 WeakPolarHBondContact CB-OG 3.01Å; M1491-S1494 PolarHBondContact O-N 3.49Å; M1491-S1494 PolarHBondContact O-OG 2.85Å; M1491-D1495 WeakPolarHBondContact O-CB 3.38Å; M1491-D1495 PolarHBondContact O-N 3.17Å |
| 1492 | L | 37.8 | Very low | 32.7 | Very low | 54.4 Ų | 54.4 | 103 Ų | 103 | 29% | 0.285 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69 | -32.3 | -176.3 | -133.7 | 129.9 | 0 | 0 | 0 | 112.7 | K861 S1464 V1488 A1489 D1490 Y1496 R2185 M2186 W2189 | K861-L1492 PolarHBondContact NZ-O 3.16Å; S1464-L1492 WeakPolarHBondContact OG-CD1 3.32Å; V1488-L1492 HydrophobicContact CG1-CD1 4.25Å; V1488-L1492 WeakPolarHBondContact O-CB 3.42Å; V1488-L1492 PolarHBondContact O-N 3.09Å; A1489-L1492 WeakPolarHBondContact O-CB 3.48Å; A1489-L1492 PolarHBondContact O-N 3.05Å; A1489-L1492 VanDerWaalsContact O-N 3.13Å; D1490-L1492 VanDerWaalsContact C-N 3.33Å; D1490-L1492 PolarHBondContact O-N 3.41Å; L1492-Y1496 PolarHBondContact O-N 3.18Å; L1492-R2185 HydrophobicContact CD1-CB 4.15Å; L1492-R2185 HydrophobicContact CG-CB 4.29Å; L1492-M2186 HydrophobicContact CD1-CB 4.47Å; L1492-M2186 HydrophobicContact CD2-CB 4.02Å; L1492-M2186 HydrophobicContact CD2-CE 4.47Å; L1492-W2189 HydrophobicContact CD1-CB 4.49Å |
| 1493 | W | 35.8 | Very low | 32.7 | Very low | 101.6 Ų | 101.6 | 103.1 Ų | 103.1 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -102.2 | -22.1 | -178.7 | -60.3 | 105.4 | 0 | 0 | 0 | 113.9 | L1397 C1401 A1489 D1490 M1491 D1495 Y1496 E1497 P1524 Y2117 M2186 | L1397-W1493 HydrophobicContact CD2-CZ2 4.49Å; C1401-W1493 HydrophobicContact CB-CH2 3.5Å; C1401-W1493 HydrophobicContact CB-CZ3 3.78Å; C1401-W1493 WeakPolarHBondContact SG-CH2 3.23Å; A1489-W1493 WeakPolarHBondContact O-CB 3.43Å; A1489-W1493 PolarHBondContact O-N 3.04Å; A1489-W1493 VanDerWaalsContact O-N 3.11Å; D1490-W1493 PolarHBondContact O-N 2.67Å; M1491-W1493 VanDerWaalsContact C-N 3.33Å; M1491-W1493 PolarHBondContact O-N 3.49Å; W1493-D1495 VanDerWaalsContact C-N 3.33Å; W1493-D1495 PolarHBondContact O-N 3.06Å; W1493-Y1496 CarbonylContact O-C 3.51Å; W1493-Y1496 VanDerWaalsContact O-CA 3.28Å; W1493-Y1496 WeakPolarHBondContact O-CA 3.31Å; W1493-Y1496 WeakPolarHBondContact O-CB 3.39Å; W1493-Y1496 PolarHBondContact O-N 3.41Å; W1493-Y1496 VanDerWaalsContact O-N 3.14Å; W1493-E1497 WeakPolarHBondContact O-CA 3.33Å; W1493-E1497 VanDerWaalsContact O-CB 3.24Å; W1493-E1497 WeakPolarHBondContact O-CB 3.48Å; W1493-E1497 WeakPolarHBondContact O-CG 3.46Å; W1493-E1497 PolarHBondContact O-N 3.14Å; W1493-P1524 PolarHBondContact NE1-O 3.13Å; W1493-Y2117 HydrophobicContact CZ2-CD2 4.18Å; W1493-M2186 HydrophobicContact CZ2-CE 3.67Å |
| 1494 | S | 38.2 | Very low | 32.8 | Very low | 54.2 Ų | 54.2 | 99.5 Ų | 99.5 | 38% | 0.379 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.6 | -30.7 | 174.8 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | D1490 M1491 Y1496 E1497 A1498 | D1490-S1494 WeakPolarHBondContact O-CA 3.23Å; D1490-S1494 VanDerWaalsContact O-CB 3.31Å; D1490-S1494 WeakPolarHBondContact O-CB 3.41Å; D1490-S1494 PolarHBondContact O-N 3.07Å; D1490-S1494 PolarHBondContact O-OG 3.02Å; D1490-S1494 VanDerWaalsContact O-OG 3.05Å; M1491-S1494 WeakPolarHBondContact CA-OG 3.36Å; M1491-S1494 WeakPolarHBondContact CB-OG 3.01Å; M1491-S1494 PolarHBondContact O-N 3.49Å; M1491-S1494 PolarHBondContact O-OG 2.85Å; S1494-Y1496 PolarHBondContact O-N 2.75Å; S1494-Y1496 VanDerWaalsContact O-N 3.09Å; S1494-E1497 PolarHBondContact O-N 3.33Å; S1494-A1498 WeakPolarHBondContact O-CA 3.32Å; S1494-A1498 VanDerWaalsContact O-CB 3.27Å; S1494-A1498 WeakPolarHBondContact O-CB 3.37Å; S1494-A1498 PolarHBondContact O-N 2.98Å |
| 1495 | D | 38.2 | Very low | 32.8 | Very low | 72.4 Ų | 72.4 | 100.2 Ų | 100.2 | 39% | 0.387 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.1 | -25.1 | 179.4 | -85.8 | -10.7 | 0 | 0 | 0 | 113.1 | M1491 W1493 A1498 Q1499 K2122 R2185 L2327 | M1491-D1495 WeakPolarHBondContact O-CB 3.38Å; M1491-D1495 PolarHBondContact O-N 3.17Å; W1493-D1495 VanDerWaalsContact C-N 3.33Å; W1493-D1495 PolarHBondContact O-N 3.06Å; D1495-A1498 PolarHBondContact O-N 2.94Å; D1495-Q1499 WeakPolarHBondContact O-CB 3.38Å; D1495-Q1499 PolarHBondContact O-N 3.31Å; D1495-Q1499 PolarHBondContact O-OE1 3.29Å; D1495-K2122 IonicContact OD2-NZ 3.59Å; D1495-K2122 PolarHBondContact OD2-NZ 2.96Å; D1495-R2185 IonicContact OD2-NH1 2.62Å; D1495-L2327 WeakPolarHBondContact OD1-CD2 3.43Å |
| 1496 | Y | 36 | Very low | 32.8 | Very low | 94.2 Ų | 94.2 | 100.6 Ų | 100.6 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -85.1 | -31.4 | 179.3 | -146.8 | -99.6 | 0 | 0 | 0 | 114.3 | P1461 L1492 W1493 S1494 Q1499 Q1500 K2175 I2178 R2182 | P1461-Y1496 HydrophobicContact CG-CE2 4.02Å; L1492-Y1496 PolarHBondContact O-N 3.18Å; W1493-Y1496 CarbonylContact O-C 3.51Å; W1493-Y1496 VanDerWaalsContact O-CA 3.28Å; W1493-Y1496 WeakPolarHBondContact O-CA 3.31Å; W1493-Y1496 WeakPolarHBondContact O-CB 3.39Å; W1493-Y1496 PolarHBondContact O-N 3.41Å; W1493-Y1496 VanDerWaalsContact O-N 3.14Å; S1494-Y1496 PolarHBondContact O-N 2.75Å; S1494-Y1496 VanDerWaalsContact O-N 3.09Å; Y1496-Q1499 CarbonylContact O-C 3.59Å; Y1496-Q1499 VanDerWaalsContact O-CA 3.27Å; Y1496-Q1499 WeakPolarHBondContact O-CA 3.49Å; Y1496-Q1499 WeakPolarHBondContact O-CB 3.37Å; Y1496-Q1499 PolarHBondContact O-N 2.95Å; Y1496-Q1499 VanDerWaalsContact O-N 3.11Å; Y1496-Q1500 PolarHBondContact O-N 3.1Å; Y1496-K2175 WeakPolarHBondContact OH-CG 2.95Å; Y1496-I2178 HydrophobicContact CD2-CG2 4.07Å; Y1496-I2178 HydrophobicContact CE2-CD1 4.18Å; Y1496-I2178 HydrophobicContact CE2-CG2 4.21Å; Y1496-R2182 VanDerWaalsContact CD2-NH2 3.28Å; Y1496-R2182 VanDerWaalsContact N-NH2 3.14Å |
| 1497 | E | 36.7 | Very low | 32.6 | Very low | 91.8 Ų | 91.8 | 99.3 Ų | 99.3 | 43% | 0.429 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -89.5 | -27.5 | 178.8 | -72.1 | -163.3 | 153.9 | 0 | 0 | 113.3 | W1493 S1494 Q1499 Q1500 M1501 | W1493-E1497 WeakPolarHBondContact O-CA 3.33Å; W1493-E1497 VanDerWaalsContact O-CB 3.24Å; W1493-E1497 WeakPolarHBondContact O-CB 3.48Å; W1493-E1497 WeakPolarHBondContact O-CG 3.46Å; W1493-E1497 PolarHBondContact O-N 3.14Å; S1494-E1497 PolarHBondContact O-N 3.33Å; E1497-Q1499 PolarHBondContact O-N 3.07Å; E1497-Q1499 VanDerWaalsContact O-N 3.13Å; E1497-Q1500 PolarHBondContact O-N 3.1Å; E1497-M1501 HydrophobicContact CB-CB 4.18Å; E1497-M1501 HydrophobicContact CB-CG 4.18Å; E1497-M1501 VanDerWaalsContact CD-CE 3.5Å; E1497-M1501 VanDerWaalsContact CD-CG 3.41Å; E1497-M1501 HydrophobicContact CG-CB 4.17Å; E1497-M1501 HydrophobicContact CG-CG 4.31Å; E1497-M1501 WeakPolarHBondContact O-CA 3.43Å; E1497-M1501 VanDerWaalsContact O-CB 3.32Å; E1497-M1501 WeakPolarHBondContact O-CB 3.48Å; E1497-M1501 PolarHBondContact O-N 3.23Å; E1497-M1501 WeakPolarHBondContact OE1-CE 3.45Å; E1497-M1501 WeakPolarHBondContact OE1-CG 3.19Å; E1497-M1501 WeakPolarHBondContact OE2-CB 3.19Å; E1497-M1501 WeakPolarHBondContact OE2-CE 3.47Å; E1497-M1501 WeakPolarHBondContact OE2-CG 3.38Å; E1497-M1501 VanDerWaalsContact OE2-SD 3.36Å |
| 1498 | A | 37 | Very low | 32.3 | Very low | 53.6 Ų | 53.6 | 99.7 Ų | 99.7 | 44% | 0.443 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -26.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1494 D1495 K1502 L2327 | S1494-A1498 WeakPolarHBondContact O-CA 3.32Å; S1494-A1498 VanDerWaalsContact O-CB 3.27Å; S1494-A1498 WeakPolarHBondContact O-CB 3.37Å; S1494-A1498 PolarHBondContact O-N 2.98Å; D1495-A1498 PolarHBondContact O-N 2.94Å; A1498-K1502 WeakPolarHBondContact O-CB 3.39Å; A1498-K1502 PolarHBondContact O-N 3.16Å; A1498-L2327 HydrophobicContact CB-CD1 3.59Å |
| 1499 | Q | 34.5 | Very low | 31.9 | Very low | 117.6 Ų | 117.6 | 103.6 Ų | 103.6 | 55% | 0.55 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -85.9 | -31.6 | 177.5 | -122.6 | 135.4 | -20.1 | 0 | 0 | 113.6 | D1495 Y1496 E1497 M1501 K1502 D1503 Y2105 | D1495-Q1499 WeakPolarHBondContact O-CB 3.38Å; D1495-Q1499 PolarHBondContact O-N 3.31Å; D1495-Q1499 PolarHBondContact O-OE1 3.29Å; Y1496-Q1499 CarbonylContact O-C 3.59Å; Y1496-Q1499 VanDerWaalsContact O-CA 3.27Å; Y1496-Q1499 WeakPolarHBondContact O-CA 3.49Å; Y1496-Q1499 WeakPolarHBondContact O-CB 3.37Å; Y1496-Q1499 PolarHBondContact O-N 2.95Å; Y1496-Q1499 VanDerWaalsContact O-N 3.11Å; E1497-Q1499 PolarHBondContact O-N 3.07Å; E1497-Q1499 VanDerWaalsContact O-N 3.13Å; Q1499-M1501 PolarHBondContact O-N 3.37Å; Q1499-K1502 PolarHBondContact O-N 3.07Å; Q1499-D1503 PolarHBondContact O-N 3.18Å; Q1499-Y2105 WeakPolarHBondContact CA-OH 3.21Å; Q1499-Y2105 WeakPolarHBondContact CG-OH 3.42Å; Q1499-Y2105 PolarHBondContact O-OH 2.88Å |
| 1500 | Q | 31 | Very low | 31.7 | Very low | 116.4 Ų | 116.4 | 110.3 Ų | 110.3 | 54% | 0.544 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -93.2 | -30.2 | -179.4 | -130.2 | -176.8 | 53.9 | 0 | 0 | 114.2 | Q1405 Y1496 E1497 K1502 D1503 S1504 | Q1405-Q1500 VanDerWaalsContact CD-OE1 3.24Å; Y1496-Q1500 PolarHBondContact O-N 3.1Å; E1497-Q1500 PolarHBondContact O-N 3.1Å; Q1500-K1502 VanDerWaalsContact C-N 3.32Å; Q1500-K1502 PolarHBondContact O-N 3.02Å; Q1500-D1503 WeakPolarHBondContact O-CB 3.45Å; Q1500-D1503 PolarHBondContact O-N 3.35Å; Q1500-S1504 WeakPolarHBondContact O-CB 3.23Å; Q1500-S1504 PolarHBondContact O-N 3.12Å; Q1500-S1504 PolarHBondContact O-OG 3.05Å |
| 1501 | M | 30.9 | Very low | 31.2 | Very low | 112.6 Ų | 112.6 | 112.5 Ų | 112.5 | 56% | 0.555 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72 | -25.8 | 173.8 | -86.2 | -149.7 | -123.1 | 0 | 0 | 113.4 | E1497 Q1499 D1503 S1504 L1505 | E1497-M1501 HydrophobicContact CB-CB 4.18Å; E1497-M1501 HydrophobicContact CB-CG 4.18Å; E1497-M1501 VanDerWaalsContact CD-CE 3.5Å; E1497-M1501 VanDerWaalsContact CD-CG 3.41Å; E1497-M1501 HydrophobicContact CG-CB 4.17Å; E1497-M1501 HydrophobicContact CG-CG 4.31Å; E1497-M1501 WeakPolarHBondContact O-CA 3.43Å; E1497-M1501 VanDerWaalsContact O-CB 3.32Å; E1497-M1501 WeakPolarHBondContact O-CB 3.48Å; E1497-M1501 PolarHBondContact O-N 3.23Å; E1497-M1501 WeakPolarHBondContact OE1-CE 3.45Å; E1497-M1501 WeakPolarHBondContact OE1-CG 3.19Å; E1497-M1501 WeakPolarHBondContact OE2-CB 3.19Å; E1497-M1501 WeakPolarHBondContact OE2-CE 3.47Å; E1497-M1501 WeakPolarHBondContact OE2-CG 3.38Å; E1497-M1501 VanDerWaalsContact OE2-SD 3.36Å; Q1499-M1501 PolarHBondContact O-N 3.37Å; M1501-D1503 VanDerWaalsContact C-N 3.31Å; M1501-D1503 PolarHBondContact O-N 3.05Å; M1501-S1504 PolarHBondContact O-N 3.14Å; M1501-S1504 VanDerWaalsContact O-N 3.12Å; M1501-L1505 HydrophobicContact CB-CD1 4.36Å; M1501-L1505 HydrophobicContact CG-CD1 4.29Å; M1501-L1505 WeakPolarHBondContact O-CG 3.33Å; M1501-L1505 PolarHBondContact O-N 3.12Å; M1501-L1505 HydrophobicContact SD-CD1 4.16Å |
| 1502 | K | 30.1 | Very low | 30.9 | Very low | 136.8 Ų | 136.8 | 113 Ų | 113 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.8 | -30.1 | 173.8 | -96.7 | 179.8 | 178.6 | 168.9 | 0 | 113.3 | A1498 Q1499 Q1500 S1504 V1506 | A1498-K1502 WeakPolarHBondContact O-CB 3.39Å; A1498-K1502 PolarHBondContact O-N 3.16Å; Q1499-K1502 PolarHBondContact O-N 3.07Å; Q1500-K1502 VanDerWaalsContact C-N 3.32Å; Q1500-K1502 PolarHBondContact O-N 3.02Å; K1502-S1504 PolarHBondContact O-N 3.07Å; K1502-V1506 WeakPolarHBondContact O-CB 3.4Å; K1502-V1506 WeakPolarHBondContact O-CG2 3.35Å; K1502-V1506 PolarHBondContact O-N 3.11Å |
| 1503 | D | 27.9 | Very low | 30.2 | Very low | 127.6 Ų | 127.6 | 113.4 Ų | 113.4 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -85.1 | -19.5 | -179.2 | -77.8 | -7.2 | 0 | 0 | 0 | 113.5 | Q1499 Q1500 M1501 L1505 V1506 | Q1499-D1503 PolarHBondContact O-N 3.18Å; Q1500-D1503 WeakPolarHBondContact O-CB 3.45Å; Q1500-D1503 PolarHBondContact O-N 3.35Å; M1501-D1503 VanDerWaalsContact C-N 3.31Å; M1501-D1503 PolarHBondContact O-N 3.05Å; D1503-L1505 PolarHBondContact O-N 3.01Å; D1503-V1506 PolarHBondContact O-N 3.48Å |
| 1504 | S | 28.1 | Very low | 29.8 | Very low | 87.8 Ų | 87.8 | 116.6 Ų | 116.6 | 61% | 0.614 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -94.2 | -14 | 179.1 | -85 | 0 | 0 | 0 | 0 | 115.1 | Q1500 M1501 K1502 V1506 L1507 | Q1500-S1504 WeakPolarHBondContact O-CB 3.23Å; Q1500-S1504 PolarHBondContact O-N 3.12Å; Q1500-S1504 PolarHBondContact O-OG 3.05Å; M1501-S1504 PolarHBondContact O-N 3.14Å; M1501-S1504 VanDerWaalsContact O-N 3.12Å; K1502-S1504 PolarHBondContact O-N 3.07Å; S1504-V1506 PolarHBondContact O-N 3.1Å; S1504-L1507 PolarHBondContact O-N 3.33Å |
| 1505 | L | 27.4 | Very low | 29.2 | Very low | 134.6 Ų | 134.6 | 123.4 Ų | 123.4 | 71% | 0.705 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -93.4 | 7.7 | 179.3 | -68.3 | 175.4 | 0 | 0 | 0 | 114.3 | M1501 D1503 L1507 | M1501-L1505 HydrophobicContact CB-CD1 4.36Å; M1501-L1505 HydrophobicContact CG-CD1 4.29Å; M1501-L1505 WeakPolarHBondContact O-CG 3.33Å; M1501-L1505 PolarHBondContact O-N 3.12Å; M1501-L1505 HydrophobicContact SD-CD1 4.16Å; D1503-L1505 PolarHBondContact O-N 3.01Å; L1505-L1507 PolarHBondContact O-N 2.79Å |
| 1506 | V | 26.6 | Very low | 28.6 | Very low | 115.6 Ų | 115.6 | 128.3 Ų | 128.3 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 24.8 | 167.7 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | K1502 D1503 S1504 N1508 | K1502-V1506 WeakPolarHBondContact O-CB 3.4Å; K1502-V1506 WeakPolarHBondContact O-CG2 3.35Å; K1502-V1506 PolarHBondContact O-N 3.11Å; D1503-V1506 PolarHBondContact O-N 3.48Å; S1504-V1506 PolarHBondContact O-N 3.1Å; V1506-N1508 VanDerWaalsContact C-N 3.32Å; V1506-N1508 PolarHBondContact O-N 3.44Å |
| 1507 | L | 24.5 | Very low | 28.1 | Very low | 138.8 Ų | 138.8 | 132.7 Ų | 132.7 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -118.2 | 85 | 174.1 | -126.4 | 127.6 | 0 | 0 | 0 | 111.4 | S1504 L1505 M1509 | S1504-L1507 PolarHBondContact O-N 3.33Å; L1505-L1507 PolarHBondContact O-N 2.79Å; L1507-M1509 PolarHBondContact O-N 3.12Å; L1507-M1509 VanDerWaalsContact O-N 3.07Å | ||
| 1508 | N | 24.5 | Very low | 27.7 | Very low | 123.6 Ų | 123.6 | 133.9 Ų | 133.9 | 66% | 0.661 | 71% | 0.706 | S | S | * | * | trans | -137.3 | 71.9 | 167.8 | -71.3 | -24.1 | 0 | 0 | 0 | 114.4 | V1506 Y1510 | V1506-N1508 VanDerWaalsContact C-N 3.32Å; V1506-N1508 PolarHBondContact O-N 3.44Å; N1508-Y1510 VanDerWaalsContact C-N 3.32Å; N1508-Y1510 HydrophobicContact CB-CD1 4.31Å; N1508-Y1510 HydrophobicContact CB-CD2 4.19Å; N1508-Y1510 HydrophobicContact CB-CE1 3.81Å; N1508-Y1510 HydrophobicContact CB-CE2 3.95Å; N1508-Y1510 PolarHBondContact ND2-OH 3.49Å; N1508-Y1510 PolarHBondContact O-N 3.02Å; N1508-Y1510 VanDerWaalsContact O-N 3.15Å; N1508-Y1510 VanDerWaalsContact OD1-CE1 3.29Å; N1508-Y1510 WeakPolarHBondContact OD1-CE1 3.49Å | ||
| 1509 | M | 23.3 | Very low | 27.4 | Very low | 174.4 Ų | 174.4 | 135.8 Ų | 135.8 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -92.4 | 88.8 | 157.6 | -74.7 | -173.3 | 66.5 | 0 | 0 | 110.2 | L1507 D1511 | L1507-M1509 PolarHBondContact O-N 3.12Å; L1507-M1509 VanDerWaalsContact O-N 3.07Å; M1509-D1511 PolarHBondContact O-N 3.5Å | ||
| 1510 | Y | 27.3 | Very low | 27.5 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | -108.2 | 113.9 | 168 | 0 | -84.5 | 0 | 0 | 0 | 109.6 | N1508 T1512 | N1508-Y1510 VanDerWaalsContact C-N 3.32Å; N1508-Y1510 HydrophobicContact CB-CD1 4.31Å; N1508-Y1510 HydrophobicContact CB-CD2 4.19Å; N1508-Y1510 HydrophobicContact CB-CE1 3.81Å; N1508-Y1510 HydrophobicContact CB-CE2 3.95Å; N1508-Y1510 PolarHBondContact ND2-OH 3.49Å; N1508-Y1510 PolarHBondContact O-N 3.02Å; N1508-Y1510 VanDerWaalsContact O-N 3.15Å; N1508-Y1510 VanDerWaalsContact OD1-CE1 3.29Å; N1508-Y1510 WeakPolarHBondContact OD1-CE1 3.49Å; Y1510-T1512 PolarHBondContact O-N 3.23Å; Y1510-T1512 VanDerWaalsContact O-N 3.11Å | ||
| 1511 | D | 23.4 | Very low | 28 | Very low | 156.2 Ų | 156.2 | 136.6 Ų | 136.6 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | -37.2 | 107.4 | 164.1 | -165 | 6.5 | 0 | 0 | 0 | 113 | M1509 | M1509-D1511 PolarHBondContact O-N 3.5Š| ||
| 1512 | T | 29 | Very low | 28.6 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -123.2 | 94.2 | 158.1 | 47.8 | 0 | 0 | 0 | 0 | 108.5 | Y1510 M1514 | Y1510-T1512 PolarHBondContact O-N 3.23Å; Y1510-T1512 VanDerWaalsContact O-N 3.11Å; T1512-M1514 PolarHBondContact O-N 2.87Å | ||
| 1513 | G | 24.4 | Very low | 29.6 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | -64.5 | 116.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1514 | M | 26.4 | Very low | 31 | Very low | 168.8 Ų | 168.8 | 132.8 Ų | 132.8 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -152.3 | 117.7 | 153.9 | -76.9 | -88.6 | 112.2 | 0 | 0 | 109.3 | T1512 E1516 | T1512-M1514 PolarHBondContact O-N 2.87Å; M1514-E1516 VanDerWaalsContact C-N 3.31Å; M1514-E1516 PolarHBondContact O-N 2.99Å; M1514-E1516 VanDerWaalsContact O-N 3.15Å | ||
| 1515 | E | 24.9 | Very low | 32.6 | Very low | 196.6 Ų | 196.6 | 132.2 Ų | 132.2 | 92% | 0.919 | 71% | 0.714 | S | S | * | * | trans | -81.9 | 101.4 | 167.5 | -66.4 | 171.1 | 166.8 | 0 | 0 | 109.6 | ||||
| 1516 | E | 27 | Very low | 34.7 | Very low | 177.2 Ų | 177.2 | 127.3 Ų | 127.3 | 83% | 0.828 | 69% | 0.691 | S | S | * | * | trans | -102.9 | 112.4 | 167.5 | -67.8 | -167.5 | 169.3 | 0 | 0 | 111.6 | M1514 P1518 | M1514-E1516 VanDerWaalsContact C-N 3.31Å; M1514-E1516 PolarHBondContact O-N 2.99Å; M1514-E1516 VanDerWaalsContact O-N 3.15Å; E1516-P1518 VanDerWaalsContact O-CD 3.3Å; E1516-P1518 WeakPolarHBondContact O-CD 3.3Å | ||
| 1517 | E | 24.4 | Very low | 37.3 | Very low | 185 Ų | 185 | 122.1 Ų | 122.1 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | trans | -51.5 | 130.4 | 172.4 | -72.6 | -98.5 | 138.7 | 0 | 0 | 111.8 | A1519 | E1517-A1519 PolarHBondContact O-N 3.23Å; E1517-A1519 VanDerWaalsContact O-N 3.17Å | ||
| 1518 | P | 29.6 | Very low | 40.1 | Very low | 117.2 Ų | 117.2 | 117.8 Ų | 117.8 | 76% | 0.761 | 64% | 0.639 | S | S | * | * | trans | -79.1 | 111.4 | 178.3 | 29.1 | -28.1 | 0 | 0 | 0 | 109.9 | E1516 S1520 | E1516-P1518 VanDerWaalsContact O-CD 3.3Å; E1516-P1518 WeakPolarHBondContact O-CD 3.3Å; P1518-S1520 PolarHBondContact O-N 3.05Å | ||
| 1519 | A | 30.4 | Very low | 42.8 | Very low | 94.2 Ų | 94.2 | 114.9 Ų | 114.9 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | trans | -54.7 | 116.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | E1517 D1521 | E1517-A1519 PolarHBondContact O-N 3.23Å; E1517-A1519 VanDerWaalsContact O-N 3.17Å; A1519-D1521 VanDerWaalsContact C-N 3.25Å; A1519-D1521 PolarHBondContact O-N 3.19Å | ||
| 1520 | S | 35.8 | Very low | 45.7 | Very low | 91.6 Ų | 91.6 | 113.6 Ų | 113.6 | 64% | 0.641 | 62% | 0.622 | S | S | * | * | trans | -70.2 | 75.2 | -176.5 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | P1518 H1522 | P1518-S1520 PolarHBondContact O-N 3.05Å; S1520-H1522 WeakPolarHBondContact CB-NE2 3.48Å; S1520-H1522 PolarHBondContact O-N 2.92Å; S1520-H1522 VanDerWaalsContact O-N 3.11Å; S1520-H1522 PolarHBondContact OG-CD2 2.83Å; S1520-H1522 PolarHBondContact OG-NE2 2.81Å | ||
| 1521 | D | 42.1 | Very low | 48.5 | Very low | 158.4 Ų | 158.4 | 106.2 Ų | 106.2 | 85% | 0.847 | 59% | 0.593 | S | S | * | * | trans | -74.6 | 73.8 | 160.4 | -87.7 | -21.1 | 0 | 0 | 0 | 107.7 | A1519 E1523 | A1519-D1521 VanDerWaalsContact C-N 3.25Å; A1519-D1521 PolarHBondContact O-N 3.19Å; D1521-E1523 PolarHBondContact O-N 3.15Å; D1521-E1523 VanDerWaalsContact O-N 3.15Å | ||
| 1522 | H | 43.9 | Very low | 51.4 | Low | 162.8 Ų | 162.8 | 99.2 Ų | 99.2 | 75% | 0.754 | 56% | 0.557 | S | S | * | * | trans | -62 | 117.8 | 169.2 | -77.6 | -67.8 | 0 | 0 | 0 | 108.3 | S1520 | S1520-H1522 WeakPolarHBondContact CB-NE2 3.48Å; S1520-H1522 PolarHBondContact O-N 2.92Å; S1520-H1522 VanDerWaalsContact O-N 3.11Å; S1520-H1522 PolarHBondContact OG-CD2 2.83Å; S1520-H1522 PolarHBondContact OG-NE2 2.81Å | ||
| 1523 | E | 50.7 | Low | 54.1 | Low | 107.4 Ų | 107.4 | 98.9 Ų | 98.9 | 50% | 0.502 | 55% | 0.55 | S | S | . | * | trans | -54.4 | 138.5 | 170.6 | -70.5 | -169.7 | 148.1 | 0 | 0 | 109.7 | D1521 T1525 | D1521-E1523 PolarHBondContact O-N 3.15Å; D1521-E1523 VanDerWaalsContact O-N 3.15Å; E1523-T1525 PolarHBondContact O-N 3.11Å; E1523-T1525 VanDerWaalsContact O-N 3.08Å | ||
| 1524 | P | 56.5 | Low | 57.1 | Low | 26.6 Ų | 26.6 | 99.5 Ų | 99.5 | 17% | 0.173 | 54% | 0.536 | C | S | . | . | trans | -64.7 | 117 | -175.9 | 25.9 | -33.3 | 0 | 0 | 0 | 109.8 | L1397 W1493 S1526 E1531 | L1397-P1524 HydrophobicContact CD1-CB 3.98Å; L1397-P1524 HydrophobicContact CD1-CG 3.85Å; L1397-P1524 WeakPolarHBondContact CD2-O 3.44Å; W1493-P1524 PolarHBondContact NE1-O 3.13Å; P1524-S1526 VanDerWaalsContact C-N 3.3Å; P1524-E1531 HydrophobicContact CB-CG 4.06Å | ||
| 1525 | T | 63.1 | Low | 59.9 | Low | 75.4 Ų | 75.4 | 91.5 Ų | 91.5 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -80.7 | -17.1 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | N1487 A1489 E1523 N1590 V1591 | N1487-T1525 HydrophobicContact CB-CG2 4.06Å; A1489-T1525 HydrophobicContact CB-CG2 3.76Å; E1523-T1525 PolarHBondContact O-N 3.11Å; E1523-T1525 VanDerWaalsContact O-N 3.08Å; T1525-N1590 WeakPolarHBondContact CB-O 3.41Å; T1525-N1590 PolarHBondContact OG1-O 3.01Å; T1525-N1590 VanDerWaalsContact OG1-O 3.07Å; T1525-V1591 WeakPolarHBondContact O-CG2 3.29Å |
| 1526 | S | 71.4 | Confident | 62.8 | Low | 33 Ų | 33 | 84.2 Ų | 84.2 | 23% | 0.231 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -140.5 | 152.1 | -177.6 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | P1524 T1528 | P1524-S1526 VanDerWaalsContact C-N 3.3Å; S1526-T1528 PolarHBondContact O-N 3.09Å; S1526-T1528 WeakPolarHBondContact OG-CG2 3.16Å |
| 1527 | F | 81.3 | Confident | 65.4 | Low | 5 Ų | 5 | 79 Ų | 79 | 2% | 0.022 | 44% | 0.443 | C | S | . | . | trans | -88.3 | 100.3 | 175.6 | -168.1 | -96.6 | 0 | 0 | 0 | 110.3 | K1393 L1396 L1397 L1400 E1531 A1532 L1535 A1559 | K1393-F1527 HydrophobicContact CB-CB 3.91Å; K1393-F1527 HydrophobicContact CD-CB 4.48Å; K1393-F1527 HydrophobicContact CG-CB 4.13Å; K1393-F1527 HydrophobicContact CG-CD1 4.43Å; L1396-F1527 HydrophobicContact CB-CD1 4.43Å; L1396-F1527 HydrophobicContact CB-CD2 3.89Å; L1396-F1527 HydrophobicContact CB-CE1 4.27Å; L1396-F1527 HydrophobicContact CB-CE2 3.71Å; L1396-F1527 HydrophobicContact CB-CG 4.25Å; L1396-F1527 HydrophobicContact CB-CZ 3.91Å; L1396-F1527 HydrophobicContact CD1-CD1 4.29Å; L1396-F1527 HydrophobicContact CD1-CE1 3.8Å; L1396-F1527 HydrophobicContact CD1-CZ 3.99Å; L1396-F1527 HydrophobicContact CG-CZ 4.4Å; L1397-F1527 HydrophobicContact CB-CB 4.34Å; L1397-F1527 HydrophobicContact CB-CD2 4.3Å; L1397-F1527 HydrophobicContact CD1-CD2 4.45Å; L1400-F1527 HydrophobicContact CD2-CE2 4.49Å; F1527-E1531 HydrophobicContact CD2-CB 3.82Å; F1527-E1531 HydrophobicContact CE2-CB 3.98Å; F1527-E1531 HydrophobicContact CG-CB 4.43Å; F1527-A1532 HydrophobicContact CE1-CB 3.87Å; F1527-A1532 HydrophobicContact CZ-CB 3.89Å; F1527-L1535 HydrophobicContact CE2-CD2 4.18Å; F1527-L1535 HydrophobicContact CZ-CD2 4.01Å; F1527-A1559 HydrophobicContact CE1-CB 4.25Å; F1527-A1559 HydrophobicContact CZ-CB 4.03Å | ||
| 1528 | T | 82 | Confident | 68.3 | Low | 49.6 Ų | 49.6 | 71.7 Ų | 71.7 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | trans | -107.3 | -177.7 | -179.9 | 85 | 0 | 0 | 0 | 0 | 111.9 | S1526 K1530 E1531 A1532 | S1526-T1528 PolarHBondContact O-N 3.09Å; S1526-T1528 WeakPolarHBondContact OG-CG2 3.16Å; T1528-K1530 PolarHBondContact O-N 3.01Å; T1528-K1530 PolarHBondContact OG1-N 3.21Å; T1528-E1531 VanDerWaalsContact CA-OE2 3.26Å; T1528-E1531 WeakPolarHBondContact CA-OE2 3.34Å; T1528-E1531 WeakPolarHBondContact CB-OE2 3.37Å; T1528-E1531 PolarHBondContact N-OE2 2.98Å; T1528-E1531 PolarHBondContact O-N 3.17Å; T1528-E1531 PolarHBondContact OG1-OE2 3.1Å; T1528-A1532 WeakPolarHBondContact O-CB 3.36Å; T1528-A1532 PolarHBondContact O-N 3.23Å | ||
| 1529 | A | 81.1 | Confident | 70.9 | Confident | 62.6 Ų | 62.6 | 66.5 Ų | 66.5 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.9 | -28.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1533 C1563 | A1529-L1533 WeakPolarHBondContact O-CB 3.29Å; A1529-L1533 PolarHBondContact O-N 3.14Å; A1529-C1563 HydrophobicContact CB-CB 4.46Å |
| 1530 | K | 84.5 | Confident | 73 | Confident | 148 Ų | 148 | 65.5 Ų | 65.5 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.7 | -48.5 | 176.3 | -82.7 | -179 | -179.3 | 177 | 0 | 111.1 | T1528 A1532 L1533 Q1534 | T1528-K1530 PolarHBondContact O-N 3.01Å; T1528-K1530 PolarHBondContact OG1-N 3.21Å; K1530-A1532 VanDerWaalsContact C-N 3.33Å; K1530-A1532 PolarHBondContact O-N 3.1Å; K1530-L1533 PolarHBondContact O-N 3.05Å; K1530-Q1534 VanDerWaalsContact O-CG 3.31Å; K1530-Q1534 WeakPolarHBondContact O-CG 3.4Å; K1530-Q1534 PolarHBondContact O-N 3Å |
| 1531 | E | 85.8 | Confident | 75 | Confident | 21.8 Ų | 21.8 | 64.4 Ų | 64.4 | 10% | 0.102 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 177.2 | -68.8 | 71.9 | -145.8 | 0 | 0 | 111 | L1397 L1400 P1524 F1527 T1528 L1533 Q1534 L1535 | L1397-E1531 HydrophobicContact CD1-CG 4.34Å; L1400-E1531 HydrophobicContact CD2-CB 3.57Å; L1400-E1531 VanDerWaalsContact CD2-CB 3.48Å; L1400-E1531 HydrophobicContact CD2-CG 3.89Å; P1524-E1531 HydrophobicContact CB-CG 4.06Å; F1527-E1531 HydrophobicContact CD2-CB 3.82Å; F1527-E1531 HydrophobicContact CE2-CB 3.98Å; F1527-E1531 HydrophobicContact CG-CB 4.43Å; T1528-E1531 VanDerWaalsContact CA-OE2 3.26Å; T1528-E1531 WeakPolarHBondContact CA-OE2 3.34Å; T1528-E1531 WeakPolarHBondContact CB-OE2 3.37Å; T1528-E1531 PolarHBondContact N-OE2 2.98Å; T1528-E1531 PolarHBondContact O-N 3.17Å; T1528-E1531 PolarHBondContact OG1-OE2 3.1Å; E1531-L1533 PolarHBondContact O-N 2.92Å; E1531-Q1534 PolarHBondContact O-N 3.18Å; E1531-L1535 VanDerWaalsContact O-CB 3.3Å; E1531-L1535 WeakPolarHBondContact O-CB 3.32Å; E1531-L1535 PolarHBondContact O-N 3.23Å |
| 1532 | A | 85.3 | Confident | 76.9 | Confident | 9.4 Ų | 9.4 | 57.5 Ų | 57.5 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1527 T1528 K1530 L1535 S1536 C1563 | F1527-A1532 HydrophobicContact CE1-CB 3.87Å; F1527-A1532 HydrophobicContact CZ-CB 3.89Å; T1528-A1532 WeakPolarHBondContact O-CB 3.36Å; T1528-A1532 PolarHBondContact O-N 3.23Å; K1530-A1532 VanDerWaalsContact C-N 3.33Å; K1530-A1532 PolarHBondContact O-N 3.1Å; A1532-L1535 PolarHBondContact O-N 3.2Å; A1532-S1536 WeakPolarHBondContact O-CB 3.37Å; A1532-S1536 PolarHBondContact O-N 3.3Å; A1532-C1563 HydrophobicContact CB-CB 3.81Å |
| 1533 | L | 86.5 | Confident | 78.7 | Confident | 122.8 Ų | 122.8 | 51 Ų | 51 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65 | -44 | 175.8 | -173.3 | 120.9 | 0 | 0 | 0 | 111.3 | A1529 K1530 E1531 S1536 H1537 | A1529-L1533 WeakPolarHBondContact O-CB 3.29Å; A1529-L1533 PolarHBondContact O-N 3.14Å; K1530-L1533 PolarHBondContact O-N 3.05Å; E1531-L1533 PolarHBondContact O-N 2.92Å; L1533-S1536 WeakPolarHBondContact O-CB 3.42Å; L1533-S1536 PolarHBondContact O-N 3.16Å; L1533-S1536 VanDerWaalsContact O-N 3.16Å; L1533-S1536 PolarHBondContact O-OG 3.02Å; L1533-H1537 PolarHBondContact O-N 3.19Å |
| 1534 | Q | 85.5 | Confident | 80.2 | Confident | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.9 | -72.1 | 174.2 | -17.5 | 0 | 0 | 111.9 | L1400 K1530 E1531 S1536 H1537 L1538 | L1400-Q1534 HydrophobicContact CD1-CB 4.46Å; K1530-Q1534 VanDerWaalsContact O-CG 3.31Å; K1530-Q1534 WeakPolarHBondContact O-CG 3.4Å; K1530-Q1534 PolarHBondContact O-N 3Å; E1531-Q1534 PolarHBondContact O-N 3.18Å; Q1534-S1536 VanDerWaalsContact C-N 3.29Å; Q1534-S1536 PolarHBondContact O-N 3.33Å; Q1534-H1537 WeakPolarHBondContact O-CB 3.45Å; Q1534-H1537 PolarHBondContact O-N 2.91Å; Q1534-H1537 VanDerWaalsContact O-N 3.16Å; Q1534-L1538 WeakPolarHBondContact O-CG 3.22Å; Q1534-L1538 PolarHBondContact O-N 3.21Å |
| 1535 | L | 86.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 174.1 | 180 | 62.9 | 0 | 0 | 0 | 110.9 | L1396 M1399 L1400 I1403 F1527 E1531 A1532 H1537 L1538 L1539 A1559 | L1396-L1535 HydrophobicContact CD2-CD2 4.36Å; M1399-L1535 HydrophobicContact CE-CD1 3.51Å; M1399-L1535 VanDerWaalsContact CE-CD1 3.48Å; M1399-L1535 HydrophobicContact CE-CD2 3.5Å; M1399-L1535 VanDerWaalsContact CE-CD2 3.48Å; M1399-L1535 HydrophobicContact CE-CG 4.1Å; L1400-L1535 HydrophobicContact CB-CD1 4.4Å; L1400-L1535 HydrophobicContact CD1-CB 4.19Å; L1400-L1535 HydrophobicContact CD1-CD1 4.38Å; I1403-L1535 HydrophobicContact CD1-CD1 4.08Å; F1527-L1535 HydrophobicContact CE2-CD2 4.18Å; F1527-L1535 HydrophobicContact CZ-CD2 4.01Å; E1531-L1535 VanDerWaalsContact O-CB 3.3Å; E1531-L1535 WeakPolarHBondContact O-CB 3.32Å; E1531-L1535 PolarHBondContact O-N 3.23Å; A1532-L1535 PolarHBondContact O-N 3.2Å; L1535-H1537 VanDerWaalsContact C-N 3.31Å; L1535-H1537 PolarHBondContact O-N 3.22Å; L1535-L1538 PolarHBondContact O-N 3.21Å; L1535-L1539 HydrophobicContact CD1-CD1 3.82Å; L1535-L1539 HydrophobicContact CD1-CD2 4.35Å; L1535-L1539 HydrophobicContact CD1-CG 3.81Å; L1535-L1539 HydrophobicContact CD2-CD1 4.41Å; L1535-L1539 HydrophobicContact CG-CD1 3.86Å; L1535-L1539 HydrophobicContact CG-CG 4.2Å; L1535-L1539 WeakPolarHBondContact O-CB 3.39Å; L1535-L1539 VanDerWaalsContact O-CG 3.32Å; L1535-L1539 WeakPolarHBondContact O-CG 3.27Å; L1535-L1539 PolarHBondContact O-N 3.07Å; L1535-A1559 HydrophobicContact CD2-CB 4.06Å |
| 1536 | S | 84.7 | Confident | 81.9 | Confident | 43.4 Ų | 43.4 | 43.5 Ų | 43.5 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 176.7 | 94.1 | 0 | 0 | 0 | 0 | 112.8 | A1532 L1533 Q1534 L1538 L1539 T1540 L1556 | A1532-S1536 WeakPolarHBondContact O-CB 3.37Å; A1532-S1536 PolarHBondContact O-N 3.3Å; L1533-S1536 WeakPolarHBondContact O-CB 3.42Å; L1533-S1536 PolarHBondContact O-N 3.16Å; L1533-S1536 VanDerWaalsContact O-N 3.16Å; L1533-S1536 PolarHBondContact O-OG 3.02Å; Q1534-S1536 VanDerWaalsContact C-N 3.29Å; Q1534-S1536 PolarHBondContact O-N 3.33Å; S1536-L1538 PolarHBondContact O-N 2.89Å; S1536-L1539 PolarHBondContact O-N 2.75Å; S1536-T1540 WeakPolarHBondContact O-CG2 3.35Å; S1536-T1540 PolarHBondContact O-N 3.16Å; S1536-L1556 VanDerWaalsContact CA-CD2 3.46Å |
| 1537 | H | 83.3 | Confident | 82.4 | Confident | 68.6 Ų | 68.6 | 42 Ų | 42 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.3 | -37.4 | 176.1 | -175 | -103.6 | 0 | 0 | 0 | 112.5 | L1436 L1533 Q1534 L1535 L1539 T1540 H1541 | L1436-H1537 WeakPolarHBondContact CD1-CE1 3.46Å; L1436-H1537 WeakPolarHBondContact CD1-ND1 3.36Å; L1436-H1537 WeakPolarHBondContact CD1-NE2 3.42Å; L1436-H1537 WeakPolarHBondContact CG-CE1 3.44Å; L1533-H1537 PolarHBondContact O-N 3.19Å; Q1534-H1537 WeakPolarHBondContact O-CB 3.45Å; Q1534-H1537 PolarHBondContact O-N 2.91Å; Q1534-H1537 VanDerWaalsContact O-N 3.16Å; L1535-H1537 VanDerWaalsContact C-N 3.31Å; L1535-H1537 PolarHBondContact O-N 3.22Å; H1537-L1539 PolarHBondContact O-N 2.81Å; H1537-T1540 PolarHBondContact O-N 3.38Å; H1537-T1540 PolarHBondContact O-OG1 3.12Å; H1537-H1541 PolarHBondContact O-CD2 3.29Å |
| 1538 | L | 84.2 | Confident | 82.3 | Confident | 31.4 Ų | 31.4 | 41.9 Ų | 41.9 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.8 | -45 | 177.6 | -70.9 | 169.5 | 0 | 0 | 0 | 111.7 | L1400 I1403 R1404 Q1534 L1535 S1536 T1540 H1541 V1542 | L1400-L1538 HydrophobicContact CD1-CD1 3.56Å; I1403-L1538 HydrophobicContact CG2-CB 4.31Å; I1403-L1538 HydrophobicContact CG2-CD1 4.07Å; I1403-L1538 HydrophobicContact CG2-CD2 4.46Å; I1403-L1538 HydrophobicContact CG2-CG 4.49Å; R1404-L1538 HydrophobicContact CG-CD1 4.38Å; Q1534-L1538 WeakPolarHBondContact O-CG 3.22Å; Q1534-L1538 PolarHBondContact O-N 3.21Å; L1535-L1538 PolarHBondContact O-N 3.21Å; S1536-L1538 PolarHBondContact O-N 2.89Å; L1538-T1540 PolarHBondContact O-N 3.18Å; L1538-H1541 CarbonylContact O-C 3.53Å; L1538-H1541 PolarHBondContact O-N 3.26Å; L1538-V1542 VanDerWaalsContact O-CB 3.3Å; L1538-V1542 WeakPolarHBondContact O-CB 3.4Å; L1538-V1542 WeakPolarHBondContact O-CG2 3.32Å; L1538-V1542 PolarHBondContact O-N 3.12Å |
| 1539 | L | 83.3 | Confident | 82.1 | Confident | 8.4 Ų | 8.4 | 41.9 Ų | 41.9 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -11.9 | -178.2 | -67.5 | -177.9 | 0 | 0 | 0 | 114 | M1399 I1403 L1535 S1536 H1537 H1541 L1544 L1555 L1556 | M1399-L1539 HydrophobicContact CE-CD1 4.44Å; I1403-L1539 HydrophobicContact CD1-CD2 4.2Å; L1535-L1539 HydrophobicContact CD1-CD1 3.82Å; L1535-L1539 HydrophobicContact CD1-CD2 4.35Å; L1535-L1539 HydrophobicContact CD1-CG 3.81Å; L1535-L1539 HydrophobicContact CD2-CD1 4.41Å; L1535-L1539 HydrophobicContact CG-CD1 3.86Å; L1535-L1539 HydrophobicContact CG-CG 4.2Å; L1535-L1539 WeakPolarHBondContact O-CB 3.39Å; L1535-L1539 VanDerWaalsContact O-CG 3.32Å; L1535-L1539 WeakPolarHBondContact O-CG 3.27Å; L1535-L1539 PolarHBondContact O-N 3.07Å; S1536-L1539 PolarHBondContact O-N 2.75Å; H1537-L1539 PolarHBondContact O-N 2.81Å; L1539-H1541 VanDerWaalsContact C-N 3.29Å; L1539-L1544 HydrophobicContact CD1-CD1 4.5Å; L1539-L1544 HydrophobicContact CD2-CD1 3.62Å; L1539-L1544 HydrophobicContact CD2-CD2 4.19Å; L1539-L1544 HydrophobicContact CD2-CG 3.75Å; L1539-L1555 HydrophobicContact CD1-CD2 4.01Å; L1539-L1555 HydrophobicContact CD1-CG 4.37Å; L1539-L1556 HydrophobicContact CB-CD2 4.14Å; L1539-L1556 HydrophobicContact CB-CG 4.46Å; L1539-L1556 HydrophobicContact CD1-CD2 3.73Å; L1539-L1556 HydrophobicContact CD1-CG 4.17Å; L1539-L1556 HydrophobicContact CG-CD2 4.46Å |
| 1540 | T | 76.2 | Confident | 82 | Confident | 72.4 Ų | 72.4 | 40.7 Ų | 40.7 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.3 | 168.7 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | Y1451 S1536 H1537 L1538 | Y1451-T1540 VanDerWaalsContact CE1-O 3.27Å; Y1451-T1540 WeakPolarHBondContact CE1-O 3.36Å; S1536-T1540 WeakPolarHBondContact O-CG2 3.35Å; S1536-T1540 PolarHBondContact O-N 3.16Å; H1537-T1540 PolarHBondContact O-N 3.38Å; H1537-T1540 PolarHBondContact O-OG1 3.12Å; L1538-T1540 PolarHBondContact O-N 3.18Å |
| 1541 | H | 76.3 | Confident | 82 | Confident | 69 Ų | 69 | 33.6 Ų | 33.6 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -17.4 | -178.7 | -61.5 | -69.5 | 0 | 0 | 0 | 113.2 | I1439 Y1451 F1452 H1537 L1538 L1539 | I1439-H1541 HydrophobicContact CG2-CB 4.38Å; Y1451-H1541 WeakPolarHBondContact CA-O 3.36Å; F1452-H1541 PolarHBondContact N-O 3.11Å; H1537-H1541 PolarHBondContact O-CD2 3.29Å; L1538-H1541 CarbonylContact O-C 3.53Å; L1538-H1541 PolarHBondContact O-N 3.26Å; L1539-H1541 VanDerWaalsContact C-N 3.29Å |
| 1542 | V | 82.8 | Confident | 82.1 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.1 | -175.2 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | I1403 F1452 V1454 L1538 L1544 Q1552 | I1403-V1542 HydrophobicContact CG2-CG1 4.37Å; I1403-V1542 HydrophobicContact CG2-CG2 4.31Å; F1452-V1542 HydrophobicContact CB-CG2 4.47Å; F1452-V1542 HydrophobicContact CD1-CG1 4.36Å; F1452-V1542 HydrophobicContact CD1-CG2 4.34Å; F1452-V1542 CarbonylContact O-C 3.57Å; F1452-V1542 VanDerWaalsContact O-CA 3.3Å; F1452-V1542 WeakPolarHBondContact O-CA 3.34Å; V1454-V1542 HydrophobicContact CB-CG1 4.43Å; V1454-V1542 HydrophobicContact CG2-CG1 3.43Å; V1454-V1542 VanDerWaalsContact CG2-CG1 3.45Å; L1538-V1542 VanDerWaalsContact O-CB 3.3Å; L1538-V1542 WeakPolarHBondContact O-CB 3.4Å; L1538-V1542 WeakPolarHBondContact O-CG2 3.32Å; L1538-V1542 PolarHBondContact O-N 3.12Å; V1542-L1544 HydrophobicContact CG1-CD2 4.46Å; V1542-Q1552 PolarHBondContact O-NE2 3.06Å |
| 1543 | H | 80.8 | Confident | 82 | Confident | 26.2 Ų | 26.2 | 35.5 Ų | 35.5 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 120.7 | 172.4 | -154.8 | -65.9 | 0 | 0 | 0 | 110.9 | R1212 Y1451 F1452 E1453 V1454 L1547 Q1552 | R1212-H1543 PolarHBondContact NH1-CE1 3.1Å; Y1451-H1543 AromaticContact CD1-NE2 3.78Å; Y1451-H1543 AromaticContact CG-NE2 3.94Å; F1452-H1543 PolarHBondContact O-N 2.95Å; E1453-H1543 WeakPolarHBondContact CA-O 3.22Å; E1453-H1543 HydrophobicContact CG-CB 4.07Å; V1454-H1543 PolarHBondContact N-O 3.23Å; H1543-L1547 PolarHBondContact CE1-O 3.22Å; H1543-L1547 PolarHBondContact NE2-O 3.02Å; H1543-Q1552 PolarHBondContact CD2-NE2 3.22Å; H1543-Q1552 VanDerWaalsContact CD2-NE2 3.28Å; H1543-Q1552 VanDerWaalsContact CG-NE2 3.3Å; H1543-Q1552 PolarHBondContact ND1-OE1 3.29Å; H1543-Q1552 PolarHBondContact NE2-NE2 2.82Å |
| 1544 | L | 83.3 | Confident | 81.9 | Confident | 1.4 Ų | 1.4 | 30.6 Ų | 30.6 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 146 | 179.2 | -62.6 | 177.1 | 0 | 0 | 0 | 112.3 | Y1375 M1399 I1403 I1457 L1539 V1542 L1547 Q1552 L1555 | Y1375-L1544 HydrophobicContact CD2-CD1 4.12Å; Y1375-L1544 HydrophobicContact CE2-CB 4.04Å; Y1375-L1544 HydrophobicContact CE2-CD1 4.1Å; M1399-L1544 HydrophobicContact CG-CD1 4.44Å; M1399-L1544 HydrophobicContact SD-CD1 3.49Å; M1399-L1544 VanDerWaalsContact SD-CD1 3.53Å; M1399-L1544 WeakPolarHBondContact SD-CD1 3.44Å; M1399-L1544 HydrophobicContact SD-CD2 4.47Å; I1403-L1544 HydrophobicContact CD1-CD2 3.84Å; I1403-L1544 HydrophobicContact CG1-CD2 4.11Å; I1457-L1544 HydrophobicContact CD1-CD2 3.61Å; L1539-L1544 HydrophobicContact CD1-CD1 4.5Å; L1539-L1544 HydrophobicContact CD2-CD1 3.62Å; L1539-L1544 HydrophobicContact CD2-CD2 4.19Å; L1539-L1544 HydrophobicContact CD2-CG 3.75Å; V1542-L1544 HydrophobicContact CG1-CD2 4.46Å; L1544-L1547 HydrophobicContact CB-CB 4.43Å; L1544-L1547 HydrophobicContact CB-CD1 3.9Å; L1544-L1547 HydrophobicContact CB-CG 4.32Å; L1544-L1547 HydrophobicContact CD1-CD1 3.78Å; L1544-L1547 HydrophobicContact CG-CD1 4.45Å; L1544-L1547 PolarHBondContact O-N 3.46Å; L1544-Q1552 VanDerWaalsContact N-NE2 3.14Å; L1544-L1555 HydrophobicContact CD1-CD2 3.67Å |
| 1545 | P | 79 | Confident | 82.1 | Confident | 27.8 Ų | 27.8 | 27 Ų | 27 | 18% | 0.181 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 146.4 | 177.7 | 23.4 | -24.6 | 0 | 0 | 0 | 110.9 | Y1375 V1454 D1455 L1547 | Y1375-P1545 WeakPolarHBondContact OH-CD 3.41Å; Y1375-P1545 VanDerWaalsContact OH-CG 3.3Å; Y1375-P1545 WeakPolarHBondContact OH-CG 3.28Å; Y1375-P1545 PolarHBondContact OH-O 3.03Å; V1454-P1545 HydrophobicContact CG1-CG 4.48Å; V1454-P1545 VanDerWaalsContact O-CD 3.26Å; V1454-P1545 WeakPolarHBondContact O-CD 3.41Å; V1454-P1545 VanDerWaalsContact O-CG 3.27Å; V1454-P1545 WeakPolarHBondContact O-CG 3.36Å; D1455-P1545 WeakPolarHBondContact O-CB 3.48Å; P1545-L1547 PolarHBondContact O-N 3.26Å; P1545-L1547 VanDerWaalsContact O-N 3.15Å |
| 1546 | G | 77 | Confident | 82.1 | Confident | 22 Ų | 22 | 28.1 Ų | 28.1 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 0.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1547 | L | 81.5 | Confident | 82 | Confident | 1.2 Ų | 1.2 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -109.3 | 145.6 | 177.4 | -63.8 | -177 | 0 | 0 | 0 | 112.9 | F1193 R1212 Y1375 H1376 P1377 H1543 L1544 P1545 D1551 Q1552 L1555 | F1193-L1547 VanDerWaalsContact CE1-C 3.46Å; F1193-L1547 VanDerWaalsContact CE1-O 3.28Å; F1193-L1547 WeakPolarHBondContact CE1-O 3.3Å; F1193-L1547 WeakPolarHBondContact CZ-O 3.48Å; R1212-L1547 PolarHBondContact NH1-O 3.08Å; Y1375-L1547 HydrophobicContact CD2-CD1 3.83Å; Y1375-L1547 HydrophobicContact CD2-CD2 4.44Å; Y1375-L1547 HydrophobicContact CD2-CG 4.31Å; Y1375-L1547 HydrophobicContact CE2-CD1 3.76Å; Y1375-L1547 HydrophobicContact CE2-CD2 4.26Å; Y1375-L1547 HydrophobicContact CE2-CG 3.9Å; H1376-L1547 HydrophobicContact CB-CD2 4.28Å; H1376-L1547 VanDerWaalsContact CD2-CD2 3.45Å; H1376-L1547 WeakPolarHBondContact CD2-CD2 3.42Å; P1377-L1547 HydrophobicContact CG-CD2 4.21Å; H1543-L1547 PolarHBondContact CE1-O 3.22Å; H1543-L1547 PolarHBondContact NE2-O 3.02Å; L1544-L1547 HydrophobicContact CB-CB 4.43Å; L1544-L1547 HydrophobicContact CB-CD1 3.9Å; L1544-L1547 HydrophobicContact CB-CG 4.32Å; L1544-L1547 HydrophobicContact CD1-CD1 3.78Å; L1544-L1547 HydrophobicContact CG-CD1 4.45Å; L1544-L1547 PolarHBondContact O-N 3.46Å; P1545-L1547 PolarHBondContact O-N 3.26Å; P1545-L1547 VanDerWaalsContact O-N 3.15Å; L1547-D1551 HydrophobicContact CB-CB 4.2Å; L1547-D1551 HydrophobicContact CD2-CB 3.96Å; L1547-Q1552 HydrophobicContact CB-CG 4.11Å; L1547-Q1552 HydrophobicContact CD1-CG 4.16Å; L1547-L1555 HydrophobicContact CD1-CD2 3.91Å | ||
| 1548 | T | 79.6 | Confident | 82.2 | Confident | 4.2 Ų | 4.2 | 22.8 Ų | 22.8 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | trans | -83.8 | 165.2 | 164.6 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | F1193 L1196 R1212 A1214 T1216 V1550 D1551 Q1552 | F1193-T1548 HydrophobicContact CD1-CG2 3.93Å; F1193-T1548 HydrophobicContact CD2-CG2 3.89Å; F1193-T1548 HydrophobicContact CE1-CG2 3.73Å; F1193-T1548 HydrophobicContact CE2-CG2 3.68Å; F1193-T1548 HydrophobicContact CG-CG2 3.99Å; F1193-T1548 HydrophobicContact CZ-CG2 3.58Å; L1196-T1548 HydrophobicContact CD2-CG2 3.29Å; R1212-T1548 HydrophobicContact CB-CG2 3.83Å; A1214-T1548 WeakPolarHBondContact O-CB 3.34Å; A1214-T1548 WeakPolarHBondContact O-CG2 3.28Å; A1214-T1548 PolarHBondContact O-OG1 3.07Å; A1214-T1548 VanDerWaalsContact O-OG1 3.1Å; T1216-T1548 HydrophobicContact CG2-CG2 4.03Å; T1548-V1550 PolarHBondContact O-N 3.17Å; T1548-V1550 VanDerWaalsContact O-N 3.1Å; T1548-V1550 PolarHBondContact OG1-N 3.18Å; T1548-D1551 VanDerWaalsContact CB-OD2 3.29Å; T1548-D1551 WeakPolarHBondContact CB-OD2 3.25Å; T1548-D1551 VanDerWaalsContact CG2-OD2 3.28Å; T1548-D1551 WeakPolarHBondContact CG2-OD2 3.23Å; T1548-D1551 PolarHBondContact N-OD2 3.08Å; T1548-D1551 VanDerWaalsContact N-OD2 3.11Å; T1548-D1551 WeakPolarHBondContact O-CA 3.24Å; T1548-D1551 WeakPolarHBondContact O-CB 3.47Å; T1548-D1551 PolarHBondContact O-N 3.13Å; T1548-D1551 VanDerWaalsContact O-N 3.08Å; T1548-D1551 WeakPolarHBondContact OG1-CB 3.36Å; T1548-D1551 PolarHBondContact OG1-N 2.99Å; T1548-D1551 VanDerWaalsContact OG1-N 3.09Å; T1548-D1551 PolarHBondContact OG1-OD1 3.03Å; T1548-D1551 PolarHBondContact OG1-OD2 3.2Å; T1548-Q1552 PolarHBondContact O-N 3.16Å | ||
| 1549 | S | 77.8 | Confident | 82.4 | Confident | 50 Ų | 50 | 21.4 Ų | 21.4 | 35% | 0.35 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -61.6 | -27.1 | 173.8 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | R1212 L1553 | R1212-S1549 WeakPolarHBondContact O-CB 3.39Å; R1212-S1549 PolarHBondContact O-N 3.22Å; R1212-S1549 VanDerWaalsContact O-N 3.15Å; R1212-S1549 PolarHBondContact O-OG 2.97Å; S1549-L1553 WeakPolarHBondContact O-CG 3.32Å; S1549-L1553 PolarHBondContact O-N 2.94Å |
| 1550 | V | 78.2 | Confident | 82.4 | Confident | 36.6 Ų | 36.6 | 23.9 Ų | 23.9 | 22% | 0.222 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.9 | -41.1 | 173.6 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | T1548 Q1552 L1553 H1554 | T1548-V1550 PolarHBondContact O-N 3.17Å; T1548-V1550 VanDerWaalsContact O-N 3.1Å; T1548-V1550 PolarHBondContact OG1-N 3.18Å; V1550-Q1552 VanDerWaalsContact C-N 3.31Å; V1550-Q1552 PolarHBondContact O-N 3.21Å; V1550-L1553 WeakPolarHBondContact O-CB 3.43Å; V1550-L1553 PolarHBondContact O-N 3.23Å; V1550-L1553 VanDerWaalsContact O-N 3.12Å; V1550-H1554 PolarHBondContact O-CD2 3.14Å; V1550-H1554 VanDerWaalsContact O-CD2 3.23Å; V1550-H1554 PolarHBondContact O-N 3.17Å |
| 1551 | D | 84.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -35.6 | 177.2 | -59.2 | -34.7 | 0 | 0 | 0 | 111.9 | S1215 T1216 P1377 L1547 T1548 L1553 H1554 L1555 | S1215-D1551 WeakPolarHBondContact CA-OD1 3.29Å; S1215-D1551 WeakPolarHBondContact CB-OD1 3.45Å; S1215-D1551 PolarHBondContact OG-OD1 3.05Å; T1216-D1551 VanDerWaalsContact CG2-OD2 3.25Å; T1216-D1551 WeakPolarHBondContact CG2-OD2 3.28Å; T1216-D1551 PolarHBondContact N-OD1 3Å; T1216-D1551 VanDerWaalsContact N-OD1 3.11Å; T1216-D1551 PolarHBondContact N-OD2 3.18Å; T1216-D1551 PolarHBondContact OG1-OD1 3.05Å; T1216-D1551 PolarHBondContact OG1-OD2 3.05Å; T1216-D1551 VanDerWaalsContact OG1-OD2 3.13Å; P1377-D1551 HydrophobicContact CG-CB 3.81Å; P1377-D1551 WeakPolarHBondContact CG-O 3.47Å; L1547-D1551 HydrophobicContact CB-CB 4.2Å; L1547-D1551 HydrophobicContact CD2-CB 3.96Å; T1548-D1551 VanDerWaalsContact CB-OD2 3.29Å; T1548-D1551 WeakPolarHBondContact CB-OD2 3.25Å; T1548-D1551 VanDerWaalsContact CG2-OD2 3.28Å; T1548-D1551 WeakPolarHBondContact CG2-OD2 3.23Å; T1548-D1551 PolarHBondContact N-OD2 3.08Å; T1548-D1551 VanDerWaalsContact N-OD2 3.11Å; T1548-D1551 WeakPolarHBondContact O-CA 3.24Å; T1548-D1551 WeakPolarHBondContact O-CB 3.47Å; T1548-D1551 PolarHBondContact O-N 3.13Å; T1548-D1551 VanDerWaalsContact O-N 3.08Å; T1548-D1551 WeakPolarHBondContact OG1-CB 3.36Å; T1548-D1551 PolarHBondContact OG1-N 2.99Å; T1548-D1551 VanDerWaalsContact OG1-N 3.09Å; T1548-D1551 PolarHBondContact OG1-OD1 3.03Å; T1548-D1551 PolarHBondContact OG1-OD2 3.2Å; D1551-L1553 VanDerWaalsContact C-N 3.29Å; D1551-L1553 PolarHBondContact O-N 2.93Å; D1551-H1554 CarbonylContact O-C 3.56Å; D1551-H1554 WeakPolarHBondContact O-CB 3.31Å; D1551-H1554 PolarHBondContact O-N 3.13Å; D1551-H1554 VanDerWaalsContact O-N 3.14Å; D1551-L1555 WeakPolarHBondContact O-CB 3.27Å; D1551-L1555 PolarHBondContact O-N 3.15Å |
| 1552 | Q | 86.7 | Confident | 82.8 | Confident | 17.2 Ų | 17.2 | 17.3 Ų | 17.3 | 8% | 0.08 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 171.6 | -72.9 | 179.5 | -21 | 0 | 0 | 112.3 | V1542 H1543 L1544 L1547 T1548 V1550 H1554 L1555 L1556 | V1542-Q1552 PolarHBondContact O-NE2 3.06Å; H1543-Q1552 PolarHBondContact CD2-NE2 3.22Å; H1543-Q1552 VanDerWaalsContact CD2-NE2 3.28Å; H1543-Q1552 VanDerWaalsContact CG-NE2 3.3Å; H1543-Q1552 PolarHBondContact ND1-OE1 3.29Å; H1543-Q1552 PolarHBondContact NE2-NE2 2.82Å; L1544-Q1552 VanDerWaalsContact N-NE2 3.14Å; L1547-Q1552 HydrophobicContact CB-CG 4.11Å; L1547-Q1552 HydrophobicContact CD1-CG 4.16Å; T1548-Q1552 PolarHBondContact O-N 3.16Å; V1550-Q1552 VanDerWaalsContact C-N 3.31Å; V1550-Q1552 PolarHBondContact O-N 3.21Å; Q1552-H1554 VanDerWaalsContact C-N 3.33Å; Q1552-H1554 PolarHBondContact O-N 2.93Å; Q1552-L1555 WeakPolarHBondContact O-CB 3.41Å; Q1552-L1555 PolarHBondContact O-N 3.27Å; Q1552-L1556 WeakPolarHBondContact O-CG 3.26Å; Q1552-L1556 PolarHBondContact O-N 3.08Å |
| 1553 | L | 83.6 | Confident | 82.7 | Confident | 53 Ų | 53 | 18.1 Ų | 18.1 | 28% | 0.277 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 173.1 | -163.2 | 81.6 | 0 | 0 | 0 | 111.9 | S1549 V1550 D1551 L1555 L1556 A1557 Y1621 C1625 L1626 | S1549-L1553 WeakPolarHBondContact O-CG 3.32Å; S1549-L1553 PolarHBondContact O-N 2.94Å; V1550-L1553 WeakPolarHBondContact O-CB 3.43Å; V1550-L1553 PolarHBondContact O-N 3.23Å; V1550-L1553 VanDerWaalsContact O-N 3.12Å; D1551-L1553 VanDerWaalsContact C-N 3.29Å; D1551-L1553 PolarHBondContact O-N 2.93Å; L1553-L1555 VanDerWaalsContact C-N 3.33Å; L1553-L1556 HydrophobicContact CD2-CD1 4.49Å; L1553-L1556 WeakPolarHBondContact O-CB 3.19Å; L1553-L1556 PolarHBondContact O-N 3.16Å; L1553-A1557 WeakPolarHBondContact O-CB 3.29Å; L1553-A1557 PolarHBondContact O-N 3.35Å; L1553-Y1621 HydrophobicContact CD1-CE1 4.18Å; L1553-C1625 HydrophobicContact CD1-CB 3.65Å; L1553-C1625 VanDerWaalsContact CD1-CB 3.44Å; L1553-C1625 HydrophobicContact CD2-CB 3.93Å; L1553-C1625 HydrophobicContact CG-CB 4.09Å; L1553-L1626 HydrophobicContact CD2-CD2 4.35Å |
| 1554 | H | 85.2 | Confident | 82.3 | Confident | 20.4 Ų | 20.4 | 19.2 Ų | 19.2 | 9% | 0.094 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 172.9 | -76.3 | -79.1 | 0 | 0 | 0 | 112.1 | S1215 I1217 P1377 V1550 D1551 Q1552 L1556 A1557 I1558 H1618 | S1215-H1554 PolarHBondContact OG-NE2 2.85Å; I1217-H1554 HydrophobicContact CD1-CB 3.64Å; I1217-H1554 WeakPolarHBondContact CD1-CD2 3.36Å; I1217-H1554 VanDerWaalsContact CD1-CG 3.41Å; P1377-H1554 HydrophobicContact CB-CB 3.8Å; P1377-H1554 HydrophobicContact CG-CB 4.16Å; V1550-H1554 PolarHBondContact O-CD2 3.14Å; V1550-H1554 VanDerWaalsContact O-CD2 3.23Å; V1550-H1554 PolarHBondContact O-N 3.17Å; D1551-H1554 CarbonylContact O-C 3.56Å; D1551-H1554 WeakPolarHBondContact O-CB 3.31Å; D1551-H1554 PolarHBondContact O-N 3.13Å; D1551-H1554 VanDerWaalsContact O-N 3.14Å; Q1552-H1554 VanDerWaalsContact C-N 3.33Å; Q1552-H1554 PolarHBondContact O-N 2.93Å; H1554-L1556 VanDerWaalsContact C-N 3.32Å; H1554-L1556 PolarHBondContact O-N 3.37Å; H1554-A1557 WeakPolarHBondContact O-CA 3.32Å; H1554-A1557 VanDerWaalsContact O-CB 3.28Å; H1554-A1557 WeakPolarHBondContact O-CB 3.2Å; H1554-A1557 PolarHBondContact O-N 3.31Å; H1554-A1557 VanDerWaalsContact O-N 3.15Å; H1554-I1558 WeakPolarHBondContact O-CD1 3.42Å; H1554-I1558 VanDerWaalsContact O-CG1 3.25Å; H1554-I1558 WeakPolarHBondContact O-CG1 3.31Å; H1554-I1558 PolarHBondContact O-N 3.08Å; H1554-H1618 AromaticContact ND1-CE1 3.86Å; H1554-H1618 AromaticContact ND1-NE2 3.85Å |
| 1555 | L | 89.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.6 | -177.7 | 60.4 | 0 | 0 | 0 | 111.6 | Y1375 L1380 L1396 M1399 L1539 L1544 L1547 D1551 Q1552 L1553 A1557 I1558 A1559 | Y1375-L1555 WeakPolarHBondContact O-CD1 3.31Å; L1380-L1555 HydrophobicContact CD1-CD1 3.52Å; L1380-L1555 VanDerWaalsContact CD1-CD1 3.46Å; L1396-L1555 HydrophobicContact CD2-CD1 3.66Å; M1399-L1555 HydrophobicContact CE-CD1 4.42Å; M1399-L1555 HydrophobicContact CE-CD2 3.95Å; M1399-L1555 HydrophobicContact CE-CG 4.44Å; M1399-L1555 HydrophobicContact SD-CD2 3.84Å; L1539-L1555 HydrophobicContact CD1-CD2 4.01Å; L1539-L1555 HydrophobicContact CD1-CG 4.37Å; L1544-L1555 HydrophobicContact CD1-CD2 3.67Å; L1547-L1555 HydrophobicContact CD1-CD2 3.91Å; D1551-L1555 WeakPolarHBondContact O-CB 3.27Å; D1551-L1555 PolarHBondContact O-N 3.15Å; Q1552-L1555 WeakPolarHBondContact O-CB 3.41Å; Q1552-L1555 PolarHBondContact O-N 3.27Å; L1553-L1555 VanDerWaalsContact C-N 3.33Å; L1555-A1557 VanDerWaalsContact C-N 3.34Å; L1555-A1557 PolarHBondContact O-N 3.47Å; L1555-I1558 WeakPolarHBondContact O-CB 3.34Å; L1555-I1558 PolarHBondContact O-N 3.25Å; L1555-A1559 PolarHBondContact O-N 3.04Å |
| 1556 | L | 86.1 | Confident | 81 | Confident | 23.8 Ų | 23.8 | 20.8 Ų | 20.8 | 13% | 0.125 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -40.1 | 172.8 | -70.8 | 175.2 | 0 | 0 | 0 | 112.4 | S1536 L1539 Q1552 L1553 H1554 I1558 A1559 D1560 Y1621 | S1536-L1556 VanDerWaalsContact CA-CD2 3.46Å; L1539-L1556 HydrophobicContact CB-CD2 4.14Å; L1539-L1556 HydrophobicContact CB-CG 4.46Å; L1539-L1556 HydrophobicContact CD1-CD2 3.73Å; L1539-L1556 HydrophobicContact CD1-CG 4.17Å; L1539-L1556 HydrophobicContact CG-CD2 4.46Å; Q1552-L1556 WeakPolarHBondContact O-CG 3.26Å; Q1552-L1556 PolarHBondContact O-N 3.08Å; L1553-L1556 HydrophobicContact CD2-CD1 4.49Å; L1553-L1556 WeakPolarHBondContact O-CB 3.19Å; L1553-L1556 PolarHBondContact O-N 3.16Å; H1554-L1556 VanDerWaalsContact C-N 3.32Å; H1554-L1556 PolarHBondContact O-N 3.37Å; L1556-I1558 VanDerWaalsContact C-N 3.28Å; L1556-I1558 PolarHBondContact O-N 3.08Å; L1556-A1559 PolarHBondContact O-N 3.07Å; L1556-D1560 WeakPolarHBondContact O-CB 3.36Å; L1556-D1560 PolarHBondContact O-N 3.22Å; L1556-Y1621 HydrophobicContact CB-CE1 4.48Å; L1556-Y1621 WeakPolarHBondContact CB-OH 3.31Å |
| 1557 | A | 83.7 | Confident | 80 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1553 H1554 L1555 D1560 T1561 Y1621 | L1553-A1557 WeakPolarHBondContact O-CB 3.29Å; L1553-A1557 PolarHBondContact O-N 3.35Å; H1554-A1557 WeakPolarHBondContact O-CA 3.32Å; H1554-A1557 VanDerWaalsContact O-CB 3.28Å; H1554-A1557 WeakPolarHBondContact O-CB 3.2Å; H1554-A1557 PolarHBondContact O-N 3.31Å; H1554-A1557 VanDerWaalsContact O-N 3.15Å; L1555-A1557 VanDerWaalsContact C-N 3.34Å; L1555-A1557 PolarHBondContact O-N 3.47Å; A1557-D1560 PolarHBondContact O-N 3.07Å; A1557-T1561 VanDerWaalsContact O-CB 3.28Å; A1557-T1561 WeakPolarHBondContact O-CB 3.19Å; A1557-T1561 VanDerWaalsContact O-CG2 3.25Å; A1557-T1561 WeakPolarHBondContact O-CG2 3.47Å; A1557-T1561 PolarHBondContact O-N 3.24Å; A1557-T1561 PolarHBondContact O-OG1 3.09Å; A1557-Y1621 VanDerWaalsContact CA-CD1 3.44Å; A1557-Y1621 VanDerWaalsContact CA-CE1 3.47Å; A1557-Y1621 HydrophobicContact CB-CD1 3.2Å; A1557-Y1621 HydrophobicContact CB-CE1 3.45Å; A1557-Y1621 HydrophobicContact CB-CG 3.87Å |
| 1558 | I | 87 | Confident | 78.6 | Confident | 0.2 Ų | 0.2 | 23.7 Ų | 23.7 | 0% | 0.001 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 178.4 | -67.8 | 161.8 | 0 | 0 | 0 | 110.3 | P1377 L1380 I1381 L1384 V1392 L1396 H1554 L1555 L1556 D1560 T1561 V1562 | P1377-I1558 HydrophobicContact CB-CD1 3.58Å; P1377-I1558 VanDerWaalsContact CB-CD1 3.49Å; P1377-I1558 WeakPolarHBondContact O-CD1 3.2Å; L1380-I1558 HydrophobicContact CB-CD1 4.04Å; L1380-I1558 HydrophobicContact CB-CG2 4.16Å; L1380-I1558 HydrophobicContact CD1-CG2 4.23Å; I1381-I1558 HydrophobicContact CD1-CD1 4.09Å; I1381-I1558 HydrophobicContact CG1-CD1 3.65Å; I1381-I1558 HydrophobicContact CG1-CG1 4.08Å; L1384-I1558 HydrophobicContact CD1-CG2 3.98Å; V1392-I1558 HydrophobicContact CG1-CG2 4.16Å; L1396-I1558 HydrophobicContact CD1-CG2 4.48Å; H1554-I1558 WeakPolarHBondContact O-CD1 3.42Å; H1554-I1558 VanDerWaalsContact O-CG1 3.25Å; H1554-I1558 WeakPolarHBondContact O-CG1 3.31Å; H1554-I1558 PolarHBondContact O-N 3.08Å; L1555-I1558 WeakPolarHBondContact O-CB 3.34Å; L1555-I1558 PolarHBondContact O-N 3.25Å; L1556-I1558 VanDerWaalsContact C-N 3.28Å; L1556-I1558 PolarHBondContact O-N 3.08Å; I1558-D1560 VanDerWaalsContact C-N 3.33Å; I1558-D1560 PolarHBondContact O-N 3.06Å; I1558-T1561 WeakPolarHBondContact CA-OG1 3.33Å; I1558-T1561 WeakPolarHBondContact O-CB 3.25Å; I1558-T1561 PolarHBondContact O-N 3.27Å; I1558-T1561 VanDerWaalsContact O-N 3.13Å; I1558-T1561 PolarHBondContact O-OG1 3.04Å; I1558-V1562 HydrophobicContact CG2-CG2 4.18Å; I1558-V1562 WeakPolarHBondContact O-CB 3.37Å; I1558-V1562 VanDerWaalsContact O-CG2 3.3Å; I1558-V1562 WeakPolarHBondContact O-CG2 3.37Å; I1558-V1562 PolarHBondContact O-N 3.35Å |
| 1559 | A | 87.6 | Confident | 77.2 | Confident | 2.2 Ų | 2.2 | 24.6 Ų | 24.6 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.3 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1396 F1527 L1535 L1555 L1556 V1562 C1563 | L1396-A1559 HydrophobicContact CD1-CB 4.2Å; F1527-A1559 HydrophobicContact CE1-CB 4.25Å; F1527-A1559 HydrophobicContact CZ-CB 4.03Å; L1535-A1559 HydrophobicContact CD2-CB 4.06Å; L1555-A1559 PolarHBondContact O-N 3.04Å; L1556-A1559 PolarHBondContact O-N 3.07Å; A1559-V1562 PolarHBondContact O-N 3.05Å; A1559-C1563 WeakPolarHBondContact O-CB 3.35Å; A1559-C1563 PolarHBondContact O-N 3.2Å; A1559-C1563 VanDerWaalsContact O-N 3.08Å; A1559-C1563 PolarHBondContact O-SG 2.97Å; A1559-C1563 VanDerWaalsContact O-SG 3.41Å |
| 1560 | D | 83 | Confident | 75.9 | Confident | 60.8 Ų | 60.8 | 22.4 Ų | 22.4 | 33% | 0.325 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66 | -38.6 | 175.9 | -170 | 71.1 | 0 | 0 | 0 | 112.3 | L1556 A1557 I1558 C1563 S1564 R1617 Y1621 | L1556-D1560 WeakPolarHBondContact O-CB 3.36Å; L1556-D1560 PolarHBondContact O-N 3.22Å; A1557-D1560 PolarHBondContact O-N 3.07Å; I1558-D1560 VanDerWaalsContact C-N 3.33Å; I1558-D1560 PolarHBondContact O-N 3.06Å; D1560-C1563 PolarHBondContact O-SG 3.1Å; D1560-S1564 PolarHBondContact O-N 2.86Å; D1560-S1564 PolarHBondContact O-OG 3.27Å; D1560-R1617 IonicContact OD1-NH2 3.33Å; D1560-R1617 PolarHBondContact OD1-NH2 3.47Å; D1560-R1617 IonicContact OD2-CZ 3.25Å; D1560-R1617 VanDerWaalsContact OD2-CZ 3.24Å; D1560-R1617 IonicContact OD2-NE 3.59Å; D1560-R1617 PolarHBondContact OD2-NE 3.32Å; D1560-R1617 IonicContact OD2-NH2 3.35Å; D1560-R1617 PolarHBondContact OD2-NH2 3.11Å; D1560-Y1621 HydrophobicContact CB-CD2 3.95Å; D1560-Y1621 HydrophobicContact CB-CE2 3.97Å; D1560-Y1621 WeakPolarHBondContact OD2-CD2 3.11Å |
| 1561 | T | 79.7 | Confident | 74.5 | Confident | 3.2 Ų | 3.2 | 22.4 Ų | 22.4 | 2% | 0.02 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 176.1 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | A1557 I1558 C1563 S1564 F1565 R1617 H1618 | A1557-T1561 VanDerWaalsContact O-CB 3.28Å; A1557-T1561 WeakPolarHBondContact O-CB 3.19Å; A1557-T1561 VanDerWaalsContact O-CG2 3.25Å; A1557-T1561 WeakPolarHBondContact O-CG2 3.47Å; A1557-T1561 PolarHBondContact O-N 3.24Å; A1557-T1561 PolarHBondContact O-OG1 3.09Å; I1558-T1561 WeakPolarHBondContact CA-OG1 3.33Å; I1558-T1561 WeakPolarHBondContact O-CB 3.25Å; I1558-T1561 PolarHBondContact O-N 3.27Å; I1558-T1561 VanDerWaalsContact O-N 3.13Å; I1558-T1561 PolarHBondContact O-OG1 3.04Å; T1561-C1563 PolarHBondContact O-N 2.95Å; T1561-S1564 WeakPolarHBondContact O-CB 3.33Å; T1561-S1564 PolarHBondContact O-N 3.1Å; T1561-F1565 HydrophobicContact CG2-CD2 4.42Å; T1561-F1565 HydrophobicContact CG2-CE2 3.89Å; T1561-F1565 WeakPolarHBondContact O-CD2 3.41Å; T1561-F1565 WeakPolarHBondContact O-CE2 3.38Å; T1561-R1617 HydrophobicContact CG2-CB 4.06Å; T1561-R1617 HydrophobicContact CG2-CG 3.86Å; T1561-H1618 HydrophobicContact CG2-CB 4.01Å |
| 1562 | V | 82.5 | Confident | 72.6 | Confident | 0.6 Ų | 0.6 | 29 Ų | 29 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.7 | -31.5 | -174.3 | 171.9 | 0 | 0 | 0 | 0 | 112.3 | L1384 I1389 V1392 K1393 I1558 A1559 S1564 F1565 | L1384-V1562 HydrophobicContact CD1-CG2 3.84Å; L1384-V1562 HydrophobicContact CD2-CG2 3.63Å; L1384-V1562 HydrophobicContact CG-CG2 4.34Å; I1389-V1562 HydrophobicContact CG2-CG1 3.98Å; V1392-V1562 HydrophobicContact CG1-CG2 3.97Å; K1393-V1562 HydrophobicContact CD-CG1 4.06Å; K1393-V1562 VanDerWaalsContact CE-CG1 3.46Å; K1393-V1562 VanDerWaalsContact CE-O 3.29Å; K1393-V1562 WeakPolarHBondContact CE-O 3.45Å; K1393-V1562 HydrophobicContact CG-CG1 3.32Å; I1558-V1562 HydrophobicContact CG2-CG2 4.18Å; I1558-V1562 WeakPolarHBondContact O-CB 3.37Å; I1558-V1562 VanDerWaalsContact O-CG2 3.3Å; I1558-V1562 WeakPolarHBondContact O-CG2 3.37Å; I1558-V1562 PolarHBondContact O-N 3.35Å; A1559-V1562 PolarHBondContact O-N 3.05Å; V1562-S1564 VanDerWaalsContact C-N 3.27Å; V1562-S1564 PolarHBondContact O-N 3.27Å; V1562-F1565 PolarHBondContact O-N 3.08Å; V1562-F1565 VanDerWaalsContact O-O 3.11Å |
| 1563 | C | 80.7 | Confident | 70.5 | Confident | 28.6 Ų | 28.6 | 32.9 Ų | 32.9 | 19% | 0.193 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72 | -20.2 | 175.1 | 74.9 | 0 | 0 | 0 | 0 | 113 | A1529 A1532 A1559 D1560 T1561 F1565 | A1529-C1563 HydrophobicContact CB-CB 4.46Å; A1532-C1563 HydrophobicContact CB-CB 3.81Å; A1559-C1563 WeakPolarHBondContact O-CB 3.35Å; A1559-C1563 PolarHBondContact O-N 3.2Å; A1559-C1563 VanDerWaalsContact O-N 3.08Å; A1559-C1563 PolarHBondContact O-SG 2.97Å; A1559-C1563 VanDerWaalsContact O-SG 3.41Å; D1560-C1563 PolarHBondContact O-SG 3.1Å; T1561-C1563 PolarHBondContact O-N 2.95Å; C1563-F1565 VanDerWaalsContact C-N 3.3Å; C1563-F1565 PolarHBondContact O-N 2.9Å |
| 1564 | S | 72 | Confident | 68.6 | Low | 50.2 Ų | 50.2 | 32.5 Ų | 32.5 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.2 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | D1560 T1561 V1562 | D1560-S1564 PolarHBondContact O-N 2.86Å; D1560-S1564 PolarHBondContact O-OG 3.27Å; T1561-S1564 WeakPolarHBondContact O-CB 3.33Å; T1561-S1564 PolarHBondContact O-N 3.1Å; V1562-S1564 VanDerWaalsContact C-N 3.27Å; V1562-S1564 PolarHBondContact O-N 3.27Å |
| 1565 | F | 70.5 | Confident | 66.5 | Low | 17.4 Ų | 17.4 | 35.6 Ų | 35.6 | 8% | 0.076 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -125.9 | 136.6 | -177.3 | -57.8 | -72.7 | 0 | 0 | 0 | 111.6 | K1393 T1561 V1562 C1563 A1567 L1610 L1613 M1614 R1617 | K1393-F1565 PolarHBondContact NZ-O 3Å; T1561-F1565 HydrophobicContact CG2-CD2 4.42Å; T1561-F1565 HydrophobicContact CG2-CE2 3.89Å; T1561-F1565 WeakPolarHBondContact O-CD2 3.41Å; T1561-F1565 WeakPolarHBondContact O-CE2 3.38Å; V1562-F1565 PolarHBondContact O-N 3.08Å; V1562-F1565 VanDerWaalsContact O-O 3.11Å; C1563-F1565 VanDerWaalsContact C-N 3.3Å; C1563-F1565 PolarHBondContact O-N 2.9Å; F1565-A1567 PolarHBondContact O-N 3.33Å; F1565-L1610 HydrophobicContact CB-CD1 4.08Å; F1565-L1610 HydrophobicContact CD1-CD1 3.22Å; F1565-L1610 HydrophobicContact CD1-CD2 3.68Å; F1565-L1610 HydrophobicContact CD2-CD1 4.33Å; F1565-L1610 HydrophobicContact CE1-CD1 3.65Å; F1565-L1610 VanDerWaalsContact CE1-CD1 3.47Å; F1565-L1610 HydrophobicContact CE1-CD2 3.91Å; F1565-L1610 HydrophobicContact CG-CD1 3.66Å; F1565-L1610 HydrophobicContact CZ-CD1 4.22Å; F1565-L1613 HydrophobicContact CE1-CB 3.96Å; F1565-L1613 HydrophobicContact CE1-CD1 4.37Å; F1565-L1613 HydrophobicContact CZ-CB 3.81Å; F1565-M1614 HydrophobicContact CD2-CG 3.65Å; F1565-M1614 HydrophobicContact CD2-SD 4.39Å; F1565-M1614 HydrophobicContact CE2-CB 4.31Å; F1565-M1614 HydrophobicContact CE2-CG 3.58Å; F1565-M1614 VanDerWaalsContact CE2-CG 3.43Å; F1565-M1614 HydrophobicContact CG-CG 4.38Å; F1565-M1614 HydrophobicContact CZ-CG 4.26Å; F1565-R1617 HydrophobicContact CE2-CB 4.28Å; F1565-R1617 HydrophobicContact CE2-CG 3.9Å; F1565-R1617 HydrophobicContact CZ-CB 4.44Å; F1565-R1617 HydrophobicContact CZ-CG 3.64Å |
| 1566 | S | 64.8 | Low | 64 | Low | 44.6 Ų | 44.6 | 44.8 Ų | 44.8 | 31% | 0.312 | 23% | 0.229 | S | C | . | . | trans | -72.2 | 139.3 | 169 | 73.1 | 0 | 0 | 0 | 0 | 109.8 | D1568 A1569 A1602 | S1566-D1568 PolarHBondContact O-N 2.87Å; S1566-D1568 PolarHBondContact OG-N 2.94Å; S1566-A1569 WeakPolarHBondContact OG-CB 3.35Å; S1566-A1602 WeakPolarHBondContact OG-CB 3.4Å | ||
| 1567 | A | 55.7 | Low | 61.6 | Low | 8.4 Ų | 8.4 | 49.5 Ų | 49.5 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -73.8 | -35.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | I1389 S1390 K1393 F1565 A1569 V1570 E1571 I1593 | I1389-A1567 HydrophobicContact CB-CB 4.32Å; I1389-A1567 HydrophobicContact CG2-CB 4.13Å; S1390-A1567 WeakPolarHBondContact OG-CB 3.38Å; K1393-A1567 HydrophobicContact CD-CB 4.21Å; F1565-A1567 PolarHBondContact O-N 3.33Å; A1567-A1569 VanDerWaalsContact C-N 3.33Å; A1567-A1569 PolarHBondContact O-N 3.03Å; A1567-A1569 VanDerWaalsContact O-N 3.09Å; A1567-V1570 PolarHBondContact O-N 3.13Å; A1567-V1570 VanDerWaalsContact O-N 3.14Å; A1567-E1571 PolarHBondContact O-N 2.86Å; A1567-E1571 VanDerWaalsContact O-N 3.08Å; A1567-I1593 HydrophobicContact CB-CD1 4.34Å |
| 1568 | D | 51.4 | Low | 59.6 | Low | 76.6 Ų | 76.6 | 51.7 Ų | 51.7 | 41% | 0.41 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.1 | -37.1 | -172.3 | -52.2 | -24.1 | 0 | 0 | 0 | 112.7 | S1566 V1570 E1571 E1572 | S1566-D1568 PolarHBondContact O-N 2.87Å; S1566-D1568 PolarHBondContact OG-N 2.94Å; D1568-V1570 VanDerWaalsContact C-N 3.28Å; D1568-V1570 PolarHBondContact O-N 3.2Å; D1568-V1570 VanDerWaalsContact O-N 3.09Å; D1568-E1571 PolarHBondContact O-N 2.99Å; D1568-E1572 WeakPolarHBondContact O-CA 3.48Å; D1568-E1572 WeakPolarHBondContact O-CB 3.31Å; D1568-E1572 PolarHBondContact O-N 3.22Å; D1568-E1572 VanDerWaalsContact O-N 3.12Å |
| 1569 | A | 50.6 | Low | 57.1 | Low | 22.6 Ų | 22.6 | 53.7 Ų | 53.7 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.9 | -22.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1566 A1567 K1573 L1610 | S1566-A1569 WeakPolarHBondContact OG-CB 3.35Å; A1567-A1569 VanDerWaalsContact C-N 3.33Å; A1567-A1569 PolarHBondContact O-N 3.03Å; A1567-A1569 VanDerWaalsContact O-N 3.09Å; A1569-K1573 VanDerWaalsContact O-CB 3.31Å; A1569-K1573 WeakPolarHBondContact O-CB 3.36Å; A1569-K1573 VanDerWaalsContact O-CD 3.26Å; A1569-K1573 WeakPolarHBondContact O-CD 3.31Å; A1569-K1573 WeakPolarHBondContact O-CG 3.36Å; A1569-L1610 HydrophobicContact CB-CD2 4.04Å |
| 1570 | V | 49.7 | Very low | 54.7 | Low | 3.8 Ų | 3.8 | 56.7 Ų | 56.7 | 2% | 0.023 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -90.9 | -43.4 | -171.2 | -168.5 | 0 | 0 | 0 | 0 | 112 | G1387 I1389 A1567 D1568 A1574 T1607 L1610 | G1387-V1570 WeakPolarHBondContact O-CG1 3.4Å; I1389-V1570 HydrophobicContact CD1-CB 4.07Å; I1389-V1570 HydrophobicContact CD1-CG1 4.11Å; I1389-V1570 HydrophobicContact CD1-CG2 3.49Å; I1389-V1570 VanDerWaalsContact CD1-CG2 3.46Å; I1389-V1570 HydrophobicContact CG1-CG2 4.22Å; A1567-V1570 PolarHBondContact O-N 3.13Å; A1567-V1570 VanDerWaalsContact O-N 3.14Å; D1568-V1570 VanDerWaalsContact C-N 3.28Å; D1568-V1570 PolarHBondContact O-N 3.2Å; D1568-V1570 VanDerWaalsContact O-N 3.09Å; V1570-A1574 VanDerWaalsContact O-CB 3.28Å; V1570-A1574 WeakPolarHBondContact O-CB 3.18Å; V1570-A1574 PolarHBondContact O-N 2.76Å; V1570-A1574 VanDerWaalsContact O-N 3.13Å; V1570-T1607 WeakPolarHBondContact O-CG2 3.21Å; V1570-L1610 HydrophobicContact CB-CD1 4.48Å; V1570-L1610 HydrophobicContact CB-CD2 4.09Å; V1570-L1610 HydrophobicContact CG1-CD2 4.2Å; V1570-L1610 HydrophobicContact CG1-CG 4.33Å; V1570-L1610 HydrophobicContact CG2-CB 3.86Å; V1570-L1610 HydrophobicContact CG2-CD1 3.46Å; V1570-L1610 VanDerWaalsContact CG2-CD1 3.46Å; V1570-L1610 HydrophobicContact CG2-CD2 3.12Å; V1570-L1610 HydrophobicContact CG2-CG 4.2Å |
| 1571 | E | 49.9 | Very low | 52.3 | Low | 36 Ų | 36 | 57.9 Ų | 57.9 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -83.2 | -40.1 | -172.3 | -71.5 | -178.2 | 178.3 | 0 | 0 | 111.6 | G1387 K1388 I1389 S1390 A1567 D1568 K1573 A1574 W1575 | G1387-E1571 VanDerWaalsContact O-CG 3.29Å; G1387-E1571 WeakPolarHBondContact O-CG 3.41Å; K1388-E1571 VanDerWaalsContact C-OE1 3.28Å; K1388-E1571 WeakPolarHBondContact CA-OE1 3.44Å; K1388-E1571 WeakPolarHBondContact CE-OE1 3.38Å; K1388-E1571 IonicContact NZ-OE1 3.63Å; K1388-E1571 PolarHBondContact NZ-OE1 2.77Å; K1388-E1571 IonicContact NZ-OE2 3.25Å; K1388-E1571 PolarHBondContact NZ-OE2 3.16Å; I1389-E1571 PolarHBondContact N-OE1 2.87Å; S1390-E1571 VanDerWaalsContact CB-CD 3.47Å; S1390-E1571 WeakPolarHBondContact CB-OE1 3.15Å; S1390-E1571 WeakPolarHBondContact CB-OE2 3.35Å; S1390-E1571 PolarHBondContact N-OE1 3.26Å; S1390-E1571 PolarHBondContact OG-OE1 3.17Å; S1390-E1571 VanDerWaalsContact OG-OE1 3.07Å; S1390-E1571 PolarHBondContact OG-OE2 3.08Å; A1567-E1571 PolarHBondContact O-N 2.86Å; A1567-E1571 VanDerWaalsContact O-N 3.08Å; D1568-E1571 PolarHBondContact O-N 2.99Å; E1571-K1573 VanDerWaalsContact C-N 3.29Å; E1571-K1573 PolarHBondContact O-N 3.21Å; E1571-A1574 CarbonylContact O-C 3.56Å; E1571-A1574 WeakPolarHBondContact O-CA 3.24Å; E1571-A1574 WeakPolarHBondContact O-CB 3.34Å; E1571-A1574 PolarHBondContact O-N 2.99Å; E1571-A1574 VanDerWaalsContact O-N 3.11Å; E1571-W1575 VanDerWaalsContact C-CD1 3.5Å; E1571-W1575 PolarHBondContact O-N 3.18Å; E1571-W1575 PolarHBondContact O-NE1 3.24Å |
| 1572 | E | 45.3 | Very low | 50.1 | Low | 139 Ų | 139 | 66.6 Ų | 66.6 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.5 | -42.7 | -179.5 | -164.4 | -171.5 | 173.8 | 0 | 0 | 112.6 | D1568 A1574 W1575 Y1576 | D1568-E1572 WeakPolarHBondContact O-CA 3.48Å; D1568-E1572 WeakPolarHBondContact O-CB 3.31Å; D1568-E1572 PolarHBondContact O-N 3.22Å; D1568-E1572 VanDerWaalsContact O-N 3.12Å; E1572-A1574 VanDerWaalsContact C-N 3.29Å; E1572-A1574 PolarHBondContact O-N 3Å; E1572-W1575 WeakPolarHBondContact O-CB 3.26Å; E1572-W1575 PolarHBondContact O-N 2.97Å; E1572-Y1576 PolarHBondContact O-N 3.15Å; E1572-Y1576 VanDerWaalsContact O-N 3.13Å |
| 1573 | K | 41.4 | Very low | 47.7 | Very low | 100.2 Ų | 100.2 | 74.2 Ų | 74.2 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -75.4 | -26.8 | -178.9 | -70.9 | -177.6 | -176.2 | 174 | 0 | 113.5 | A1569 E1571 W1575 Y1576 T1603 V1605 T1607 | A1569-K1573 VanDerWaalsContact O-CB 3.31Å; A1569-K1573 WeakPolarHBondContact O-CB 3.36Å; A1569-K1573 VanDerWaalsContact O-CD 3.26Å; A1569-K1573 WeakPolarHBondContact O-CD 3.31Å; A1569-K1573 WeakPolarHBondContact O-CG 3.36Å; E1571-K1573 VanDerWaalsContact C-N 3.29Å; E1571-K1573 PolarHBondContact O-N 3.21Å; K1573-W1575 VanDerWaalsContact C-N 3.33Å; K1573-W1575 PolarHBondContact O-N 3.13Å; K1573-Y1576 WeakPolarHBondContact O-CB 3.31Å; K1573-Y1576 PolarHBondContact O-N 3.07Å; K1573-Y1576 VanDerWaalsContact O-N 3.07Å; K1573-T1603 PolarHBondContact NZ-O 3.14Å; K1573-V1605 PolarHBondContact NZ-O 3.23Å; K1573-T1607 VanDerWaalsContact C-CG2 3.4Å; K1573-T1607 HydrophobicContact CB-CG2 3.5Å; K1573-T1607 HydrophobicContact CD-CG2 4.46Å; K1573-T1607 HydrophobicContact CG-CG2 4.44Å |
| 1574 | A | 44.2 | Very low | 45.4 | Very low | 43.6 Ų | 43.6 | 75.7 Ų | 75.7 | 36% | 0.36 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -29.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1570 E1571 E1572 Y1576 F1577 S1578 T1607 | V1570-A1574 VanDerWaalsContact O-CB 3.28Å; V1570-A1574 WeakPolarHBondContact O-CB 3.18Å; V1570-A1574 PolarHBondContact O-N 2.76Å; V1570-A1574 VanDerWaalsContact O-N 3.13Å; E1571-A1574 CarbonylContact O-C 3.56Å; E1571-A1574 WeakPolarHBondContact O-CA 3.24Å; E1571-A1574 WeakPolarHBondContact O-CB 3.34Å; E1571-A1574 PolarHBondContact O-N 2.99Å; E1571-A1574 VanDerWaalsContact O-N 3.11Å; E1572-A1574 VanDerWaalsContact C-N 3.29Å; E1572-A1574 PolarHBondContact O-N 3Å; A1574-Y1576 VanDerWaalsContact C-N 3.35Å; A1574-Y1576 PolarHBondContact O-N 2.83Å; A1574-F1577 PolarHBondContact O-N 2.82Å; A1574-S1578 WeakPolarHBondContact O-CB 3.31Å; A1574-S1578 PolarHBondContact O-N 3.11Å; A1574-S1578 VanDerWaalsContact O-N 3.1Å; A1574-T1607 HydrophobicContact CB-CG2 4.33Å |
| 1575 | W | 40.2 | Very low | 43.7 | Very low | 85 Ų | 85 | 76.6 Ų | 76.6 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 178 | -72.6 | 101.3 | 0 | 0 | 0 | 113.3 | E1469 E1571 E1572 K1573 F1577 S1578 G1579 M1580 S1584 | E1469-W1575 VanDerWaalsContact O-CH2 3.27Å; E1469-W1575 WeakPolarHBondContact O-CH2 2.99Å; E1469-W1575 WeakPolarHBondContact O-CZ2 3.45Å; E1571-W1575 VanDerWaalsContact C-CD1 3.5Å; E1571-W1575 PolarHBondContact O-N 3.18Å; E1571-W1575 PolarHBondContact O-NE1 3.24Å; E1572-W1575 WeakPolarHBondContact O-CB 3.26Å; E1572-W1575 PolarHBondContact O-N 2.97Å; K1573-W1575 VanDerWaalsContact C-N 3.33Å; K1573-W1575 PolarHBondContact O-N 3.13Å; W1575-F1577 VanDerWaalsContact C-N 3.27Å; W1575-F1577 PolarHBondContact O-N 3.05Å; W1575-F1577 VanDerWaalsContact O-N 3.15Å; W1575-S1578 CarbonylContact O-C 3.57Å; W1575-S1578 PolarHBondContact O-N 2.93Å; W1575-G1579 PolarHBondContact O-N 3.23Å; W1575-G1579 VanDerWaalsContact O-N 3.1Å; W1575-M1580 HydrophobicContact CE3-CB 3.85Å; W1575-M1580 HydrophobicContact CH2-SD 4.21Å; W1575-M1580 HydrophobicContact CZ3-CB 3.7Å; W1575-M1580 VanDerWaalsContact CZ3-CB 3.49Å; W1575-M1580 HydrophobicContact CZ3-CE 4.11Å; W1575-M1580 HydrophobicContact CZ3-CG 4.08Å; W1575-M1580 HydrophobicContact CZ3-SD 3.95Å; W1575-M1580 VanDerWaalsContact CZ3-SD 3.57Å; W1575-S1584 WeakPolarHBondContact CH2-OG 3.43Å |
| 1576 | Y | 37.1 | Very low | 41.9 | Very low | 194 Ų | 194 | 79.2 Ų | 79.2 | 76% | 0.761 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.9 | -32.2 | -176.4 | -148.2 | -85.5 | 0 | 0 | 0 | 112.7 | E1572 K1573 A1574 S1578 K1582 Q1919 | E1572-Y1576 PolarHBondContact O-N 3.15Å; E1572-Y1576 VanDerWaalsContact O-N 3.13Å; K1573-Y1576 WeakPolarHBondContact O-CB 3.31Å; K1573-Y1576 PolarHBondContact O-N 3.07Å; K1573-Y1576 VanDerWaalsContact O-N 3.07Å; A1574-Y1576 VanDerWaalsContact C-N 3.35Å; A1574-Y1576 PolarHBondContact O-N 2.83Å; Y1576-S1578 VanDerWaalsContact C-N 3.33Å; Y1576-K1582 PolarHBondContact OH-NZ 2.88Å; Y1576-K1582 VanDerWaalsContact OH-NZ 3.14Å; Y1576-Q1919 PolarHBondContact O-NE2 2.82Å |
| 1577 | F | 37.3 | Very low | 40.3 | Very low | 122.4 Ų | 122.4 | 80.6 Ų | 80.6 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -90.4 | -21.8 | 179 | -82 | -81.1 | 0 | 0 | 0 | 114.7 | A1574 W1575 G1579 F1914 V1915 A1918 | A1574-F1577 PolarHBondContact O-N 2.82Å; W1575-F1577 VanDerWaalsContact C-N 3.27Å; W1575-F1577 PolarHBondContact O-N 3.05Å; W1575-F1577 VanDerWaalsContact O-N 3.15Å; F1577-G1579 VanDerWaalsContact C-N 3.28Å; F1577-G1579 PolarHBondContact O-N 3.12Å; F1577-G1579 VanDerWaalsContact O-N 3.15Å; F1577-F1914 HydrophobicContact CE1-CE1 4.04Å; F1577-V1915 HydrophobicContact CE1-CG2 4.02Å; F1577-A1918 HydrophobicContact CD1-CB 4.43Å |
| 1578 | S | 40.7 | Very low | 39.1 | Very low | 46.8 Ų | 46.8 | 85.4 Ų | 85.4 | 33% | 0.327 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.4 | -12.7 | -177.4 | -168.3 | 0 | 0 | 0 | 0 | 113.4 | A1574 W1575 Y1576 M1580 | A1574-S1578 WeakPolarHBondContact O-CB 3.31Å; A1574-S1578 PolarHBondContact O-N 3.11Å; A1574-S1578 VanDerWaalsContact O-N 3.1Å; W1575-S1578 CarbonylContact O-C 3.57Å; W1575-S1578 PolarHBondContact O-N 2.93Å; Y1576-S1578 VanDerWaalsContact C-N 3.33Å; S1578-M1580 PolarHBondContact O-N 3.11Å; S1578-M1580 WeakPolarHBondContact OG-CG 3.47Å |
| 1579 | G | 35.6 | Very low | 37.9 | Very low | 42.2 Ų | 42.2 | 84.9 Ų | 84.9 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | trans | 65.3 | 7.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | W1575 F1577 R1923 | W1575-G1579 PolarHBondContact O-N 3.23Å; W1575-G1579 VanDerWaalsContact O-N 3.1Å; F1577-G1579 VanDerWaalsContact C-N 3.28Å; F1577-G1579 PolarHBondContact O-N 3.12Å; F1577-G1579 VanDerWaalsContact O-N 3.15Å; G1579-R1923 PolarHBondContact O-NE 2.83Å; G1579-R1923 PolarHBondContact O-NH2 2.83Å | ||
| 1580 | M | 36.3 | Very low | 36.6 | Very low | 65.6 Ų | 65.6 | 88.4 Ų | 88.4 | 32% | 0.323 | 45% | 0.452 | S | S | . | . | trans | -82.1 | 131 | 171.4 | -75.3 | -170.7 | 143.3 | 0 | 0 | 109.2 | G1471 W1575 S1578 K1582 L1956 P1957 | G1471-M1580 WeakPolarHBondContact O-CE 3.44Å; W1575-M1580 HydrophobicContact CE3-CB 3.85Å; W1575-M1580 HydrophobicContact CH2-SD 4.21Å; W1575-M1580 HydrophobicContact CZ3-CB 3.7Å; W1575-M1580 VanDerWaalsContact CZ3-CB 3.49Å; W1575-M1580 HydrophobicContact CZ3-CE 4.11Å; W1575-M1580 HydrophobicContact CZ3-CG 4.08Å; W1575-M1580 HydrophobicContact CZ3-SD 3.95Å; W1575-M1580 VanDerWaalsContact CZ3-SD 3.57Å; S1578-M1580 PolarHBondContact O-N 3.11Å; S1578-M1580 WeakPolarHBondContact OG-CG 3.47Å; M1580-K1582 PolarHBondContact O-N 2.89Å; M1580-L1956 WeakPolarHBondContact CE-O 3.36Å; M1580-P1957 HydrophobicContact CE-CB 4.08Å; M1580-P1957 HydrophobicContact CE-CG 4.25Å | ||
| 1581 | S | 33.6 | Very low | 35.4 | Very low | 85.6 Ų | 85.6 | 90.9 Ų | 90.9 | 60% | 0.599 | 47% | 0.467 | S | S | * | . | trans | -62.8 | 154 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | Q1583 | S1581-Q1583 PolarHBondContact O-N 3.32Å; S1581-Q1583 PolarHBondContact OG-N 3.47Å | ||
| 1582 | K | 31.6 | Very low | 34.2 | Very low | 185.2 Ų | 185.2 | 95.1 Ų | 95.1 | 81% | 0.805 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -66.5 | 37.9 | 173.5 | -84.3 | -176.8 | 175.1 | -175.2 | 0 | 113.7 | Y1576 M1580 S1584 | Y1576-K1582 PolarHBondContact OH-NZ 2.88Å; Y1576-K1582 VanDerWaalsContact OH-NZ 3.14Å; M1580-K1582 PolarHBondContact O-N 2.89Å; K1582-S1584 VanDerWaalsContact C-N 3.29Å; K1582-S1584 PolarHBondContact O-N 2.99Å |
| 1583 | Q | 32.4 | Very low | 33.3 | Very low | 159.6 Ų | 159.6 | 92.9 Ų | 92.9 | 75% | 0.746 | 48% | 0.482 | S | S | * | . | trans | -109.8 | 59.7 | 173.3 | -67.1 | -178.7 | -10.9 | 0 | 0 | 111.5 | S1581 I1585 | S1581-Q1583 PolarHBondContact O-N 3.32Å; S1581-Q1583 PolarHBondContact OG-N 3.47Å; Q1583-I1585 PolarHBondContact O-N 2.88Å | ||
| 1584 | S | 33.4 | Very low | 32.4 | Very low | 61.6 Ų | 61.6 | 97.3 Ų | 97.3 | 43% | 0.431 | 50% | 0.504 | S | S | . | . | trans | -90.6 | 136 | 159.8 | 111.9 | 0 | 0 | 0 | 0 | 109.1 | W1575 K1582 F1586 | W1575-S1584 WeakPolarHBondContact CH2-OG 3.43Å; K1582-S1584 VanDerWaalsContact C-N 3.29Å; K1582-S1584 PolarHBondContact O-N 2.99Å; S1584-F1586 VanDerWaalsContact C-N 3.26Å; S1584-F1586 CarbonylContact O-C 3.55Å; S1584-F1586 PolarHBondContact O-N 3.1Å; S1584-F1586 VanDerWaalsContact O-N 3.14Å; S1584-F1586 PolarHBondContact OG-N 3.26Å; S1584-F1586 PolarHBondContact OG-O 3.39Å | ||
| 1585 | I | 36.9 | Very low | 31.5 | Very low | 67.6 Ų | 67.6 | 97.8 Ų | 97.8 | 35% | 0.347 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -90.6 | 25.9 | -177.2 | -64.4 | 156.1 | 0 | 0 | 0 | 111.2 | I1466 Q1583 P1587 L2129 L2130 | I1466-I1585 WeakPolarHBondContact CG2-O 3.41Å; Q1583-I1585 PolarHBondContact O-N 2.88Å; I1585-P1587 VanDerWaalsContact O-CD 3.26Å; I1585-P1587 WeakPolarHBondContact O-CD 3.42Å; I1585-L2129 HydrophobicContact CB-CG 4.28Å; I1585-L2129 WeakPolarHBondContact CD1-O 3.48Å; I1585-L2129 HydrophobicContact CG1-CD1 4.38Å; I1585-L2129 HydrophobicContact CG1-CG 4.15Å; I1585-L2129 WeakPolarHBondContact CG1-O 3.24Å; I1585-L2129 VanDerWaalsContact CG2-C 3.41Å; I1585-L2129 HydrophobicContact CG2-CB 4.35Å; I1585-L2129 HydrophobicContact CG2-CD1 4.05Å; I1585-L2129 HydrophobicContact CG2-CD2 3.95Å; I1585-L2129 HydrophobicContact CG2-CG 3.44Å; I1585-L2129 VanDerWaalsContact CG2-CG 3.44Å; I1585-L2129 WeakPolarHBondContact CG2-O 3.24Å; I1585-L2130 HydrophobicContact CB-CD2 4.16Å; I1585-L2130 WeakPolarHBondContact CD1-O 2.88Å; I1585-L2130 HydrophobicContact CG2-CB 4.45Å; I1585-L2130 HydrophobicContact CG2-CD2 3.41Å; I1585-L2130 HydrophobicContact CG2-CG 4.03Å |
| 1586 | F | 32.4 | Very low | 30.8 | Very low | 73.8 Ų | 73.8 | 104 Ų | 104 | 32% | 0.324 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -136.1 | 110.3 | 155.8 | -74.2 | -79 | 0 | 0 | 0 | 109.7 | M1391 I1466 S1584 L1588 L1947 I1950 E1951 L2130 | M1391-F1586 HydrophobicContact CE-CD1 3.54Å; M1391-F1586 VanDerWaalsContact CE-CD1 3.47Å; M1391-F1586 HydrophobicContact CE-CE1 3.53Å; M1391-F1586 HydrophobicContact CE-CG 4.43Å; I1466-F1586 HydrophobicContact CD1-CD1 4.25Å; I1466-F1586 HydrophobicContact CD1-CE1 4.02Å; I1466-F1586 HydrophobicContact CG1-CD1 3.75Å; I1466-F1586 HydrophobicContact CG1-CE1 3.71Å; S1584-F1586 VanDerWaalsContact C-N 3.26Å; S1584-F1586 CarbonylContact O-C 3.55Å; S1584-F1586 PolarHBondContact O-N 3.1Å; S1584-F1586 VanDerWaalsContact O-N 3.14Å; S1584-F1586 PolarHBondContact OG-N 3.26Å; S1584-F1586 PolarHBondContact OG-O 3.39Å; F1586-L1588 HydrophobicContact CD1-CD1 4.49Å; F1586-L1947 HydrophobicContact CE1-CD1 4.3Å; F1586-L1947 HydrophobicContact CZ-CD1 4.36Å; F1586-I1950 HydrophobicContact CE2-CG2 3.95Å; F1586-I1950 HydrophobicContact CZ-CB 4.17Å; F1586-I1950 HydrophobicContact CZ-CG2 3.76Å; F1586-E1951 WeakPolarHBondContact CD2-OE2 3.42Å; F1586-E1951 HydrophobicContact CE2-CB 4.3Å; F1586-E1951 VanDerWaalsContact CE2-OE2 3.28Å; F1586-E1951 WeakPolarHBondContact CE2-OE2 3.45Å; F1586-L2130 HydrophobicContact CE1-CD2 4.3Å; F1586-L2130 HydrophobicContact CE2-CD2 4.33Å; F1586-L2130 HydrophobicContact CZ-CD2 4.11Å |
| 1587 | P | 31.4 | Very low | 30.5 | Very low | 72 Ų | 72 | 102.1 Ų | 102.1 | 47% | 0.468 | 54% | 0.542 | S | S | . | . | trans | -81.3 | 142.5 | 177 | 12.9 | 3.5 | 0 | 0 | 0 | 110.1 | I1466 Y1467 I1585 I1589 | I1466-P1587 VanDerWaalsContact CG2-CD 3.47Å; I1466-P1587 HydrophobicContact CG2-CG 4.37Å; I1466-P1587 VanDerWaalsContact O-CD 3.22Å; I1466-P1587 WeakPolarHBondContact O-CD 3.27Å; Y1467-P1587 HydrophobicContact CD1-CG 4.13Å; Y1467-P1587 HydrophobicContact CE1-CG 4.07Å; I1585-P1587 VanDerWaalsContact O-CD 3.26Å; I1585-P1587 WeakPolarHBondContact O-CD 3.42Å; P1587-I1589 PolarHBondContact O-N 3.22Å | ||
| 1588 | L | 28.9 | Very low | 30.3 | Very low | 110.2 Ų | 110.2 | 100.3 Ų | 100.3 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | trans | -85.7 | 122.2 | 169.6 | -91.8 | 111.4 | 0 | 0 | 0 | 110.3 | P1468 E1469 F1586 N1590 | P1468-L1588 WeakPolarHBondContact CD-O 3.39Å; E1469-L1588 HydrophobicContact CB-CB 4.46Å; E1469-L1588 HydrophobicContact CG-CB 4.27Å; E1469-L1588 VanDerWaalsContact OE2-CB 3.3Å; E1469-L1588 WeakPolarHBondContact OE2-CB 3.46Å; E1469-L1588 WeakPolarHBondContact OE2-CD2 3.2Å; F1586-L1588 HydrophobicContact CD1-CD1 4.49Å; L1588-N1590 VanDerWaalsContact C-N 3.35Å; L1588-N1590 PolarHBondContact O-N 2.85Å | ||
| 1589 | I | 27.1 | Very low | 30 | Very low | 66.6 Ų | 66.6 | 105.9 Ų | 105.9 | 34% | 0.342 | 57% | 0.57 | S | S | . | * | trans | -49.7 | 91.4 | 159.1 | -51.8 | -176.7 | 0 | 0 | 0 | 108.8 | P1468 P1587 V1591 | P1468-I1589 HydrophobicContact CB-CG2 4.24Å; P1468-I1589 HydrophobicContact CG-CB 4.14Å; P1468-I1589 HydrophobicContact CG-CD1 3.65Å; P1468-I1589 HydrophobicContact CG-CG1 3.63Å; P1468-I1589 VanDerWaalsContact CG-CG1 3.43Å; P1468-I1589 HydrophobicContact CG-CG2 4.01Å; P1587-I1589 PolarHBondContact O-N 3.22Å; I1589-V1591 VanDerWaalsContact C-N 3.31Å; I1589-V1591 HydrophobicContact CB-CG2 4.39Å; I1589-V1591 HydrophobicContact CG2-CB 4.48Å; I1589-V1591 HydrophobicContact CG2-CG2 3.64Å; I1589-V1591 PolarHBondContact O-N 3.08Å | ||
| 1590 | N | 23.5 | Very low | 30.4 | Very low | 96.4 Ų | 96.4 | 108.2 Ų | 108.2 | 52% | 0.516 | 58% | 0.58 | S | S | . | * | trans | -78.5 | 93 | 166.5 | -141 | 34.4 | 0 | 0 | 0 | 107.7 | E1469 T1525 L1588 D1592 | E1469-N1590 HydrophobicContact CG-CB 3.69Å; E1469-N1590 WeakPolarHBondContact OE1-CB 3.37Å; E1469-N1590 VanDerWaalsContact OE1-CG 3.27Å; E1469-N1590 PolarHBondContact OE1-ND2 3.44Å; E1469-N1590 PolarHBondContact OE2-N 3.46Å; T1525-N1590 WeakPolarHBondContact CB-O 3.41Å; T1525-N1590 PolarHBondContact OG1-O 3.01Å; T1525-N1590 VanDerWaalsContact OG1-O 3.07Å; L1588-N1590 VanDerWaalsContact C-N 3.35Å; L1588-N1590 PolarHBondContact O-N 2.85Å; N1590-D1592 PolarHBondContact ND2-OD1 2.88Å; N1590-D1592 PolarHBondContact ND2-OD2 3.29Å; N1590-D1592 PolarHBondContact O-N 3.06Å | ||
| 1591 | V | 25.2 | Very low | 30.8 | Very low | 55.8 Ų | 55.8 | 108.7 Ų | 108.7 | 34% | 0.338 | 59% | 0.587 | S | S | . | * | trans | -91.1 | 98.5 | 169.4 | 177.3 | 0 | 0 | 0 | 0 | 106.4 | T1525 I1589 I1593 | T1525-V1591 WeakPolarHBondContact O-CG2 3.29Å; I1589-V1591 VanDerWaalsContact C-N 3.31Å; I1589-V1591 HydrophobicContact CB-CG2 4.39Å; I1589-V1591 HydrophobicContact CG2-CB 4.48Å; I1589-V1591 HydrophobicContact CG2-CG2 3.64Å; I1589-V1591 PolarHBondContact O-N 3.08Å; V1591-I1593 VanDerWaalsContact C-N 3.33Å; V1591-I1593 HydrophobicContact CB-CG1 4.33Å; V1591-I1593 HydrophobicContact CG1-CD1 4.08Å; V1591-I1593 VanDerWaalsContact CG1-CD1 3.45Å; V1591-I1593 HydrophobicContact CG1-CG1 3.72Å; V1591-I1593 WeakPolarHBondContact O-CG1 3.43Å; V1591-I1593 PolarHBondContact O-N 2.96Å | ||
| 1592 | D | 23.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 105.2 Ų | 105.2 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | trans | -63.8 | 99.4 | 172.2 | -80.5 | -33.3 | 0 | 0 | 0 | 109.3 | N1590 H1594 | N1590-D1592 PolarHBondContact ND2-OD1 2.88Å; N1590-D1592 PolarHBondContact ND2-OD2 3.29Å; N1590-D1592 PolarHBondContact O-N 3.06Å; D1592-H1594 PolarHBondContact O-N 3.02Å | ||
| 1593 | I | 27 | Very low | 32.7 | Very low | 92.8 Ų | 92.8 | 101.1 Ų | 101.1 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | trans | -93.8 | 91 | 174.6 | -61.6 | 169.6 | 0 | 0 | 0 | 109 | A1567 V1591 G1595 | A1567-I1593 HydrophobicContact CB-CD1 4.34Å; V1591-I1593 VanDerWaalsContact C-N 3.33Å; V1591-I1593 HydrophobicContact CB-CG1 4.33Å; V1591-I1593 HydrophobicContact CG1-CD1 4.08Å; V1591-I1593 VanDerWaalsContact CG1-CD1 3.45Å; V1591-I1593 HydrophobicContact CG1-CG1 3.72Å; V1591-I1593 WeakPolarHBondContact O-CG1 3.43Å; V1591-I1593 PolarHBondContact O-N 2.96Å; I1593-G1595 VanDerWaalsContact C-N 3.33Å; I1593-G1595 PolarHBondContact O-N 3.11Å | ||
| 1594 | H | 23.1 | Very low | 34.5 | Very low | 192 Ų | 192 | 95.6 Ų | 95.6 | 89% | 0.889 | 54% | 0.535 | S | S | * | . | trans | -85.8 | 101.5 | 159.3 | -81.4 | -58.1 | 0 | 0 | 0 | 109.8 | D1592 | D1592-H1594 PolarHBondContact O-N 3.02Š| ||
| 1595 | G | 23.8 | Very low | 36.6 | Very low | 55.2 Ų | 55.2 | 93.1 Ų | 93.1 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | trans | 168.9 | 97.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1593 | I1593-G1595 VanDerWaalsContact C-N 3.33Å; I1593-G1595 PolarHBondContact O-N 3.11Å | ||
| 1596 | Y | 26.7 | Very low | 38.8 | Very low | 215 Ų | 215 | 91.4 Ų | 91.4 | 84% | 0.843 | 51% | 0.509 | S | S | * | . | trans | 94.1 | 118.6 | 145.8 | -93.5 | -89.7 | 0 | 0 | 0 | 116.1 | A1598 | Y1596-A1598 VanDerWaalsContact C-N 3.31Å; Y1596-A1598 PolarHBondContact O-N 3.12Å | ||
| 1597 | D | 30.3 | Very low | 41.1 | Very low | 153.6 Ų | 153.6 | 89 Ų | 89 | 82% | 0.821 | 50% | 0.5 | S | S | * | . | trans | -6.5 | 57.7 | 158.7 | -62.1 | -24.4 | 0 | 0 | 0 | 118.4 | E1599 | D1597-E1599 VanDerWaalsContact C-N 3.33Å; D1597-E1599 PolarHBondContact O-N 2.86Å; D1597-E1599 VanDerWaalsContact O-N 3.15Å | ||
| 1598 | A | 32.8 | Very low | 43.9 | Very low | 84.4 Ų | 84.4 | 85.7 Ų | 85.7 | 70% | 0.698 | 48% | 0.479 | S | S | * | . | trans | -90 | 43.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y1596 S1600 | Y1596-A1598 VanDerWaalsContact C-N 3.31Å; Y1596-A1598 PolarHBondContact O-N 3.12Å; A1598-S1600 VanDerWaalsContact C-N 3.3Å; A1598-S1600 PolarHBondContact O-N 3.13Å | ||
| 1599 | E | 35.2 | Very low | 46.7 | Very low | 163.8 Ų | 163.8 | 80.5 Ų | 80.5 | 77% | 0.765 | 45% | 0.452 | S | S | * | . | trans | -39.7 | 25.4 | 179.2 | -71 | -174.3 | 159.4 | 0 | 0 | 116.1 | D1597 T1601 T1603 | D1597-E1599 VanDerWaalsContact C-N 3.33Å; D1597-E1599 PolarHBondContact O-N 2.86Å; D1597-E1599 VanDerWaalsContact O-N 3.15Å; E1599-T1601 VanDerWaalsContact C-N 3.3Å; E1599-T1601 PolarHBondContact O-N 3.23Å; E1599-T1603 WeakPolarHBondContact O-CG2 3.34Å; E1599-T1603 PolarHBondContact O-OG1 3.11Å | ||
| 1600 | S | 42.7 | Very low | 49.5 | Very low | 91.8 Ų | 91.8 | 77.5 Ų | 77.5 | 64% | 0.642 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 22.9 | 179 | -146.5 | 0 | 0 | 0 | 0 | 115 | A1598 A1602 T1603 A1604 | A1598-S1600 VanDerWaalsContact C-N 3.3Å; A1598-S1600 PolarHBondContact O-N 3.13Å; S1600-A1602 PolarHBondContact O-N 2.84Å; S1600-T1603 WeakPolarHBondContact OG-CG2 3.42Å; S1600-T1603 PolarHBondContact OG-OG1 3.05Å; S1600-A1604 WeakPolarHBondContact O-CB 3.39Å |
| 1601 | T | 45.7 | Very low | 52.5 | Low | 76.6 Ų | 76.6 | 75.2 Ų | 75.2 | 47% | 0.47 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -80.3 | -22.7 | 177.6 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | E1599 T1603 A1604 V1605 | E1599-T1601 VanDerWaalsContact C-N 3.3Å; E1599-T1601 PolarHBondContact O-N 3.23Å; T1601-T1603 VanDerWaalsContact C-N 3.27Å; T1601-T1603 PolarHBondContact O-N 3.26Å; T1601-A1604 PolarHBondContact O-N 2.99Å; T1601-V1605 WeakPolarHBondContact O-CB 3.37Å; T1601-V1605 VanDerWaalsContact O-CG2 3.22Å; T1601-V1605 WeakPolarHBondContact O-CG2 3.42Å; T1601-V1605 PolarHBondContact O-N 3.2Å |
| 1602 | A | 50.9 | Low | 55.7 | Low | 10.2 Ų | 10.2 | 72.5 Ų | 72.5 | 8% | 0.084 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1566 S1600 A1604 V1605 | S1566-A1602 WeakPolarHBondContact OG-CB 3.4Å; S1600-A1602 PolarHBondContact O-N 2.84Å; A1602-A1604 VanDerWaalsContact C-N 3.32Å; A1602-A1604 PolarHBondContact O-N 3.18Å; A1602-V1605 PolarHBondContact O-N 3.46Å |
| 1603 | T | 53.9 | Low | 58.8 | Low | 100.6 Ų | 100.6 | 67.2 Ų | 67.2 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -27.3 | -179.2 | 56 | 0 | 0 | 0 | 0 | 113.1 | K1573 E1599 S1600 T1601 | K1573-T1603 PolarHBondContact NZ-O 3.14Å; E1599-T1603 WeakPolarHBondContact O-CG2 3.34Å; E1599-T1603 PolarHBondContact O-OG1 3.11Å; S1600-T1603 WeakPolarHBondContact OG-CG2 3.42Å; S1600-T1603 PolarHBondContact OG-OG1 3.05Å; T1601-T1603 VanDerWaalsContact C-N 3.27Å; T1601-T1603 PolarHBondContact O-N 3.26Å |
| 1604 | A | 69.1 | Low | 61.5 | Low | 43.6 Ų | 43.6 | 63.8 Ų | 63.8 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -23.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1600 T1601 A1602 T1652 E1655 | S1600-A1604 WeakPolarHBondContact O-CB 3.39Å; T1601-A1604 PolarHBondContact O-N 2.99Å; A1602-A1604 VanDerWaalsContact C-N 3.32Å; A1602-A1604 PolarHBondContact O-N 3.18Å; A1604-T1652 VanDerWaalsContact O-CG2 3.24Å; A1604-T1652 WeakPolarHBondContact O-CG2 3.36Å; A1604-E1655 VanDerWaalsContact C-OE2 3.31Å; A1604-E1655 VanDerWaalsContact CB-CD 3.48Å; A1604-E1655 HydrophobicContact CB-CG 4.28Å; A1604-E1655 WeakPolarHBondContact CB-OE2 3.47Å; A1604-E1655 VanDerWaalsContact O-OE2 3.04Å |
| 1605 | V | 77.8 | Confident | 64.6 | Low | 8.4 Ų | 8.4 | 55.4 Ų | 55.4 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -91.5 | 138.6 | -173.1 | -176 | 0 | 0 | 0 | 0 | 111.3 | K1573 T1601 A1602 G1609 L1610 L1613 E1655 L1656 | K1573-V1605 PolarHBondContact NZ-O 3.23Å; T1601-V1605 WeakPolarHBondContact O-CB 3.37Å; T1601-V1605 VanDerWaalsContact O-CG2 3.22Å; T1601-V1605 WeakPolarHBondContact O-CG2 3.42Å; T1601-V1605 PolarHBondContact O-N 3.2Å; A1602-V1605 PolarHBondContact O-N 3.46Å; V1605-G1609 VanDerWaalsContact CG1-C 3.45Å; V1605-L1610 HydrophobicContact CB-CD2 4.12Å; V1605-L1610 HydrophobicContact CB-CG 4.16Å; V1605-L1610 HydrophobicContact CG1-CB 4.34Å; V1605-L1610 HydrophobicContact CG1-CD2 4.28Å; V1605-L1610 HydrophobicContact CG1-CG 4.02Å; V1605-L1613 HydrophobicContact CB-CD1 4.47Å; V1605-L1613 HydrophobicContact CG1-CD1 4.12Å; V1605-L1613 HydrophobicContact CG2-CD1 4.01Å; V1605-E1655 HydrophobicContact CG2-CB 4.31Å; V1605-E1655 PolarHBondContact N-OE2 3.47Å; V1605-L1656 HydrophobicContact CG1-CD2 3.69Å; V1605-L1656 HydrophobicContact CG1-CG 4.42Å; V1605-L1656 HydrophobicContact CG2-CD2 4.42Å |
| 1606 | D | 83.9 | Confident | 67.8 | Low | 32.6 Ų | 32.6 | 53 Ų | 53 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | trans | -75.1 | 174.3 | 175.7 | 67.9 | 6.3 | 0 | 0 | 0 | 113.3 | C1608 G1609 L1610 S1650 E1651 T1652 | D1606-C1608 VanDerWaalsContact C-N 3.31Å; D1606-C1608 PolarHBondContact O-N 3.26Å; D1606-G1609 PolarHBondContact O-N 3.18Å; D1606-G1609 VanDerWaalsContact OD1-CA 3.28Å; D1606-G1609 WeakPolarHBondContact OD1-CA 3.35Å; D1606-G1609 PolarHBondContact OD1-N 3.18Å; D1606-L1610 VanDerWaalsContact O-CB 3.22Å; D1606-L1610 WeakPolarHBondContact O-CB 3.38Å; D1606-L1610 VanDerWaalsContact O-CG 3.24Å; D1606-L1610 WeakPolarHBondContact O-CG 3.36Å; D1606-L1610 PolarHBondContact O-N 3.08Å; D1606-S1650 WeakPolarHBondContact OD1-CB 3.38Å; D1606-S1650 PolarHBondContact OD1-OG 3.3Å; D1606-S1650 WeakPolarHBondContact OD2-CA 3.4Å; D1606-S1650 PolarHBondContact OD2-OG 3.34Å; D1606-S1650 VanDerWaalsContact OD2-OG 3.08Å; D1606-E1651 PolarHBondContact OD2-N 3.09Å; D1606-T1652 HydrophobicContact CB-CG2 4.34Å; D1606-T1652 PolarHBondContact N-OG1 3.13Å; D1606-T1652 PolarHBondContact OD1-OG1 3.12Å | ||
| 1607 | T | 81.2 | Confident | 70.6 | Confident | 23.6 Ų | 23.6 | 46.9 Ų | 46.9 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -33 | -173.7 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | V1570 K1573 A1574 R1611 | V1570-T1607 WeakPolarHBondContact O-CG2 3.21Å; K1573-T1607 VanDerWaalsContact C-CG2 3.4Å; K1573-T1607 HydrophobicContact CB-CG2 3.5Å; K1573-T1607 HydrophobicContact CD-CG2 4.46Å; K1573-T1607 HydrophobicContact CG-CG2 4.44Å; A1574-T1607 HydrophobicContact CB-CG2 4.33Å; T1607-R1611 VanDerWaalsContact CB-NH1 3.33Å; T1607-R1611 WeakPolarHBondContact O-CG 3.4Å; T1607-R1611 PolarHBondContact O-N 3.17Å; T1607-R1611 VanDerWaalsContact O-N 3.15Å; T1607-R1611 PolarHBondContact O-NH1 3.25Å; T1607-R1611 VanDerWaalsContact O-NH1 3.16Å; T1607-R1611 PolarHBondContact OG1-NH1 3.03Å; T1607-R1611 VanDerWaalsContact OG1-NH1 3.16Å |
| 1608 | C | 88.6 | Confident | 73.2 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.7 | -43.5 | 177.5 | -65.1 | 0 | 0 | 0 | 0 | 110.3 | D1606 L1610 R1611 Y1612 W1646 H1649 Y1889 | D1606-C1608 VanDerWaalsContact C-N 3.31Å; D1606-C1608 PolarHBondContact O-N 3.26Å; C1608-L1610 VanDerWaalsContact C-N 3.31Å; C1608-L1610 PolarHBondContact O-N 3.21Å; C1608-R1611 PolarHBondContact O-N 3.17Å; C1608-Y1612 PolarHBondContact O-N 3.12Å; C1608-W1646 HydrophobicContact CB-CE3 4.35Å; C1608-W1646 WeakPolarHBondContact CB-O 3.36Å; C1608-H1649 HydrophobicContact CB-CB 4.49Å; C1608-Y1889 WeakPolarHBondContact SG-CE2 3.39Å; C1608-Y1889 PolarHBondContact SG-OH 3.03Å; C1608-Y1889 VanDerWaalsContact SG-OH 3.33Å |
| 1609 | G | 88.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1605 D1606 R1611 Y1612 L1613 L1656 | V1605-G1609 VanDerWaalsContact CG1-C 3.45Å; D1606-G1609 PolarHBondContact O-N 3.18Å; D1606-G1609 VanDerWaalsContact OD1-CA 3.28Å; D1606-G1609 WeakPolarHBondContact OD1-CA 3.35Å; D1606-G1609 PolarHBondContact OD1-N 3.18Å; G1609-R1611 PolarHBondContact O-N 3.38Å; G1609-Y1612 WeakPolarHBondContact O-CB 3.32Å; G1609-Y1612 PolarHBondContact O-N 3.2Å; G1609-L1613 WeakPolarHBondContact O-CG 3.28Å; G1609-L1613 PolarHBondContact O-N 3.05Å; G1609-L1656 WeakPolarHBondContact O-CD2 3.35Å |
| 1610 | L | 84.8 | Confident | 78.3 | Confident | 4.4 Ų | 4.4 | 32.1 Ų | 32.1 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.7 | -157.8 | 75.2 | 0 | 0 | 0 | 112 | I1389 F1565 A1569 V1570 V1605 D1606 C1608 Y1612 L1613 M1614 | I1389-L1610 HydrophobicContact CD1-CD2 4.07Å; F1565-L1610 HydrophobicContact CB-CD1 4.08Å; F1565-L1610 HydrophobicContact CD1-CD1 3.22Å; F1565-L1610 HydrophobicContact CD1-CD2 3.68Å; F1565-L1610 HydrophobicContact CD2-CD1 4.33Å; F1565-L1610 HydrophobicContact CE1-CD1 3.65Å; F1565-L1610 VanDerWaalsContact CE1-CD1 3.47Å; F1565-L1610 HydrophobicContact CE1-CD2 3.91Å; F1565-L1610 HydrophobicContact CG-CD1 3.66Å; F1565-L1610 HydrophobicContact CZ-CD1 4.22Å; A1569-L1610 HydrophobicContact CB-CD2 4.04Å; V1570-L1610 HydrophobicContact CB-CD1 4.48Å; V1570-L1610 HydrophobicContact CB-CD2 4.09Å; V1570-L1610 HydrophobicContact CG1-CD2 4.2Å; V1570-L1610 HydrophobicContact CG1-CG 4.33Å; V1570-L1610 HydrophobicContact CG2-CB 3.86Å; V1570-L1610 HydrophobicContact CG2-CD1 3.46Å; V1570-L1610 VanDerWaalsContact CG2-CD1 3.46Å; V1570-L1610 HydrophobicContact CG2-CD2 3.12Å; V1570-L1610 HydrophobicContact CG2-CG 4.2Å; V1605-L1610 HydrophobicContact CB-CD2 4.12Å; V1605-L1610 HydrophobicContact CB-CG 4.16Å; V1605-L1610 HydrophobicContact CG1-CB 4.34Å; V1605-L1610 HydrophobicContact CG1-CD2 4.28Å; V1605-L1610 HydrophobicContact CG1-CG 4.02Å; D1606-L1610 VanDerWaalsContact O-CB 3.22Å; D1606-L1610 WeakPolarHBondContact O-CB 3.38Å; D1606-L1610 VanDerWaalsContact O-CG 3.24Å; D1606-L1610 WeakPolarHBondContact O-CG 3.36Å; D1606-L1610 PolarHBondContact O-N 3.08Å; C1608-L1610 VanDerWaalsContact C-N 3.31Å; C1608-L1610 PolarHBondContact O-N 3.21Å; L1610-Y1612 VanDerWaalsContact C-N 3.31Å; L1610-Y1612 PolarHBondContact O-N 3.17Å; L1610-L1613 PolarHBondContact O-N 3.17Å; L1610-L1613 VanDerWaalsContact O-N 3.17Å; L1610-M1614 HydrophobicContact CD1-CE 4.43Å; L1610-M1614 HydrophobicContact CD1-CG 4.3Å; L1610-M1614 HydrophobicContact CD2-CE 3.55Å; L1610-M1614 HydrophobicContact CG-CE 3.52Å; L1610-M1614 HydrophobicContact CG-CG 4.45Å; L1610-M1614 WeakPolarHBondContact O-CB 3.44Å; L1610-M1614 WeakPolarHBondContact O-CG 3.44Å; L1610-M1614 PolarHBondContact O-N 3.26Å |
| 1611 | R | 87.2 | Confident | 80.3 | Confident | 47.6 Ų | 47.6 | 29.6 Ų | 29.6 | 18% | 0.18 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 172.9 | -74.8 | -179.6 | -176.1 | 86.2 | -0.6 | 112 | T1607 C1608 G1609 M1614 A1615 W1646 | T1607-R1611 VanDerWaalsContact CB-NH1 3.33Å; T1607-R1611 WeakPolarHBondContact O-CG 3.4Å; T1607-R1611 PolarHBondContact O-N 3.17Å; T1607-R1611 VanDerWaalsContact O-N 3.15Å; T1607-R1611 PolarHBondContact O-NH1 3.25Å; T1607-R1611 VanDerWaalsContact O-NH1 3.16Å; T1607-R1611 PolarHBondContact OG1-NH1 3.03Å; T1607-R1611 VanDerWaalsContact OG1-NH1 3.16Å; C1608-R1611 PolarHBondContact O-N 3.17Å; G1609-R1611 PolarHBondContact O-N 3.38Å; R1611-M1614 HydrophobicContact CB-CE 4.46Å; R1611-M1614 HydrophobicContact CG-CE 4.11Å; R1611-M1614 PolarHBondContact O-N 3.2Å; R1611-A1615 PolarHBondContact O-N 3.3Å; R1611-A1615 VanDerWaalsContact O-N 3.13Å; R1611-W1646 HydrophobicContact CB-CB 4.45Å; R1611-W1646 HydrophobicContact CB-CD2 4.39Å; R1611-W1646 HydrophobicContact CB-CG 4.26Å |
| 1612 | Y | 92 | Very high | 82.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 174.6 | 170 | -103.2 | 0 | 0 | 0 | 111.9 | C1608 G1609 L1610 M1614 A1615 V1616 L1639 A1647 L1656 L1660 L1676 W1681 | C1608-Y1612 PolarHBondContact O-N 3.12Å; G1609-Y1612 WeakPolarHBondContact O-CB 3.32Å; G1609-Y1612 PolarHBondContact O-N 3.2Å; L1610-Y1612 VanDerWaalsContact C-N 3.31Å; L1610-Y1612 PolarHBondContact O-N 3.17Å; Y1612-M1614 VanDerWaalsContact C-N 3.33Å; Y1612-M1614 PolarHBondContact O-N 3.27Å; Y1612-A1615 CarbonylContact O-C 3.53Å; Y1612-A1615 WeakPolarHBondContact O-CA 3.41Å; Y1612-A1615 WeakPolarHBondContact O-CB 3.31Å; Y1612-A1615 PolarHBondContact O-N 3.1Å; Y1612-A1615 VanDerWaalsContact O-N 3.09Å; Y1612-V1616 HydrophobicContact CD1-CG2 4.07Å; Y1612-V1616 HydrophobicContact CD2-CG2 4.16Å; Y1612-V1616 HydrophobicContact CE1-CG2 3.66Å; Y1612-V1616 HydrophobicContact CE2-CG2 3.75Å; Y1612-V1616 HydrophobicContact CG-CG2 4.31Å; Y1612-V1616 VanDerWaalsContact CZ-CG2 3.46Å; Y1612-V1616 VanDerWaalsContact O-CG2 3.31Å; Y1612-V1616 WeakPolarHBondContact O-CG2 3.41Å; Y1612-V1616 PolarHBondContact O-N 3.15Å; Y1612-L1639 HydrophobicContact CD2-CD2 4.01Å; Y1612-L1639 HydrophobicContact CE2-CD2 3.61Å; Y1612-A1647 HydrophobicContact CD1-CB 3.89Å; Y1612-A1647 HydrophobicContact CD2-CB 3.66Å; Y1612-A1647 HydrophobicContact CE1-CB 4.16Å; Y1612-A1647 HydrophobicContact CE2-CB 3.94Å; Y1612-A1647 HydrophobicContact CG-CB 3.62Å; Y1612-L1656 HydrophobicContact CD1-CD1 4.49Å; Y1612-L1656 HydrophobicContact CD1-CD2 4.23Å; Y1612-L1660 HydrophobicContact CE1-CD2 4.13Å; Y1612-L1676 PolarHBondContact OH-O 3.14Å; Y1612-L1676 VanDerWaalsContact OH-O 3.07Å; Y1612-W1681 HydrophobicContact CE1-CZ2 4.25Å; Y1612-W1681 AromaticContact CE2-NE1 3.97Å; Y1612-W1681 AromaticContact CZ-NE1 3.63Å; Y1612-W1681 PolarHBondContact OH-NE1 3.1Å |
| 1613 | L | 88.4 | Confident | 83.7 | Confident | 11.8 Ų | 11.8 | 27.7 Ų | 27.7 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 179.8 | -70.9 | -177.1 | 0 | 0 | 0 | 112.7 | F1565 V1605 G1609 L1610 A1615 V1616 R1617 L1656 S1659 L1660 | F1565-L1613 HydrophobicContact CE1-CB 3.96Å; F1565-L1613 HydrophobicContact CE1-CD1 4.37Å; F1565-L1613 HydrophobicContact CZ-CB 3.81Å; V1605-L1613 HydrophobicContact CB-CD1 4.47Å; V1605-L1613 HydrophobicContact CG1-CD1 4.12Å; V1605-L1613 HydrophobicContact CG2-CD1 4.01Å; G1609-L1613 WeakPolarHBondContact O-CG 3.28Å; G1609-L1613 PolarHBondContact O-N 3.05Å; L1610-L1613 PolarHBondContact O-N 3.17Å; L1610-L1613 VanDerWaalsContact O-N 3.17Å; L1613-A1615 VanDerWaalsContact C-N 3.33Å; L1613-A1615 PolarHBondContact O-N 3.13Å; L1613-V1616 PolarHBondContact O-N 3.02Å; L1613-R1617 VanDerWaalsContact O-CB 3.3Å; L1613-R1617 WeakPolarHBondContact O-CB 3.4Å; L1613-R1617 VanDerWaalsContact O-CG 3.31Å; L1613-R1617 WeakPolarHBondContact O-CG 3.39Å; L1613-R1617 PolarHBondContact O-N 3.29Å; L1613-L1656 HydrophobicContact CD1-CD2 3.77Å; L1613-L1656 HydrophobicContact CD2-CD2 3.87Å; L1613-L1656 HydrophobicContact CG-CD2 3.55Å; L1613-S1659 VanDerWaalsContact CD2-OG 3.32Å; L1613-S1659 WeakPolarHBondContact CD2-OG 3.39Å; L1613-L1660 HydrophobicContact CD2-CD2 4.42Å |
| 1614 | M | 84.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 11% | 0.108 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 171.3 | -74.5 | -170.8 | -79.2 | 0 | 0 | 111 | L1384 I1389 F1565 L1610 R1611 Y1612 V1616 R1617 H1618 | L1384-M1614 HydrophobicContact CD2-SD 4.34Å; I1389-M1614 HydrophobicContact CD1-CE 3.9Å; I1389-M1614 HydrophobicContact CD1-SD 3.43Å; I1389-M1614 WeakPolarHBondContact CD1-SD 3.32Å; I1389-M1614 HydrophobicContact CG1-CE 4.4Å; I1389-M1614 HydrophobicContact CG1-SD 4.03Å; F1565-M1614 HydrophobicContact CD2-CG 3.65Å; F1565-M1614 HydrophobicContact CD2-SD 4.39Å; F1565-M1614 HydrophobicContact CE2-CB 4.31Å; F1565-M1614 HydrophobicContact CE2-CG 3.58Å; F1565-M1614 VanDerWaalsContact CE2-CG 3.43Å; F1565-M1614 HydrophobicContact CG-CG 4.38Å; F1565-M1614 HydrophobicContact CZ-CG 4.26Å; L1610-M1614 HydrophobicContact CD1-CE 4.43Å; L1610-M1614 HydrophobicContact CD1-CG 4.3Å; L1610-M1614 HydrophobicContact CD2-CE 3.55Å; L1610-M1614 HydrophobicContact CG-CE 3.52Å; L1610-M1614 HydrophobicContact CG-CG 4.45Å; L1610-M1614 WeakPolarHBondContact O-CB 3.44Å; L1610-M1614 WeakPolarHBondContact O-CG 3.44Å; L1610-M1614 PolarHBondContact O-N 3.26Å; R1611-M1614 HydrophobicContact CB-CE 4.46Å; R1611-M1614 HydrophobicContact CG-CE 4.11Å; R1611-M1614 PolarHBondContact O-N 3.2Å; Y1612-M1614 VanDerWaalsContact C-N 3.33Å; Y1612-M1614 PolarHBondContact O-N 3.27Å; M1614-V1616 VanDerWaalsContact C-N 3.35Å; M1614-V1616 PolarHBondContact O-N 2.93Å; M1614-R1617 PolarHBondContact O-N 3.17Å; M1614-H1618 VanDerWaalsContact O-CB 3.31Å; M1614-H1618 WeakPolarHBondContact O-CB 3.44Å; M1614-H1618 PolarHBondContact O-N 3.28Å |
| 1615 | A | 88.1 | Confident | 85.6 | Confident | 15.4 Ų | 15.4 | 32.4 Ų | 32.4 | 13% | 0.127 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1611 Y1612 L1613 H1618 Y1619 L1639 N1643 | R1611-A1615 PolarHBondContact O-N 3.3Å; R1611-A1615 VanDerWaalsContact O-N 3.13Å; Y1612-A1615 CarbonylContact O-C 3.53Å; Y1612-A1615 WeakPolarHBondContact O-CA 3.41Å; Y1612-A1615 WeakPolarHBondContact O-CB 3.31Å; Y1612-A1615 PolarHBondContact O-N 3.1Å; Y1612-A1615 VanDerWaalsContact O-N 3.09Å; L1613-A1615 VanDerWaalsContact C-N 3.33Å; L1613-A1615 PolarHBondContact O-N 3.13Å; A1615-H1618 PolarHBondContact O-N 3.11Å; A1615-Y1619 VanDerWaalsContact O-CB 3.3Å; A1615-Y1619 WeakPolarHBondContact O-CB 3.33Å; A1615-Y1619 PolarHBondContact O-N 3.23Å; A1615-L1639 HydrophobicContact CB-CD1 4.32Å; A1615-N1643 HydrophobicContact CB-CB 3.79Å |
| 1616 | V | 90 | Very high | 85.6 | Confident | 4.6 Ų | 4.6 | 33 Ų | 33 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | Y1612 L1613 M1614 H1618 Y1619 E1620 L1639 L1660 L1676 | Y1612-V1616 HydrophobicContact CD1-CG2 4.07Å; Y1612-V1616 HydrophobicContact CD2-CG2 4.16Å; Y1612-V1616 HydrophobicContact CE1-CG2 3.66Å; Y1612-V1616 HydrophobicContact CE2-CG2 3.75Å; Y1612-V1616 HydrophobicContact CG-CG2 4.31Å; Y1612-V1616 VanDerWaalsContact CZ-CG2 3.46Å; Y1612-V1616 VanDerWaalsContact O-CG2 3.31Å; Y1612-V1616 WeakPolarHBondContact O-CG2 3.41Å; Y1612-V1616 PolarHBondContact O-N 3.15Å; L1613-V1616 PolarHBondContact O-N 3.02Å; M1614-V1616 VanDerWaalsContact C-N 3.35Å; M1614-V1616 PolarHBondContact O-N 2.93Å; V1616-H1618 VanDerWaalsContact C-N 3.33Å; V1616-H1618 PolarHBondContact O-N 2.97Å; V1616-Y1619 WeakPolarHBondContact O-CB 3.38Å; V1616-Y1619 PolarHBondContact O-N 3.11Å; V1616-E1620 HydrophobicContact CG1-CG 4.37Å; V1616-E1620 WeakPolarHBondContact O-CG 3.43Å; V1616-E1620 PolarHBondContact O-N 3.11Å; V1616-L1639 HydrophobicContact CG2-CD2 4.09Å; V1616-L1660 HydrophobicContact CG1-CD2 4.13Å; V1616-L1660 HydrophobicContact CG2-CD2 4.45Å; V1616-L1676 HydrophobicContact CG1-CD2 4Å; V1616-L1676 HydrophobicContact CG2-CD2 4.14Å |
| 1617 | R | 86.4 | Confident | 85.4 | Confident | 86.6 Ų | 86.6 | 35.3 Ų | 35.3 | 33% | 0.327 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 180 | -157.4 | 48.8 | -178.2 | -179.9 | -3.1 | 111.4 | D1560 T1561 F1565 L1613 M1614 E1620 Y1621 S1659 | D1560-R1617 IonicContact OD1-NH2 3.33Å; D1560-R1617 PolarHBondContact OD1-NH2 3.47Å; D1560-R1617 IonicContact OD2-CZ 3.25Å; D1560-R1617 VanDerWaalsContact OD2-CZ 3.24Å; D1560-R1617 IonicContact OD2-NE 3.59Å; D1560-R1617 PolarHBondContact OD2-NE 3.32Å; D1560-R1617 IonicContact OD2-NH2 3.35Å; D1560-R1617 PolarHBondContact OD2-NH2 3.11Å; T1561-R1617 HydrophobicContact CG2-CB 4.06Å; T1561-R1617 HydrophobicContact CG2-CG 3.86Å; F1565-R1617 HydrophobicContact CE2-CB 4.28Å; F1565-R1617 HydrophobicContact CE2-CG 3.9Å; F1565-R1617 HydrophobicContact CZ-CB 4.44Å; F1565-R1617 HydrophobicContact CZ-CG 3.64Å; L1613-R1617 VanDerWaalsContact O-CB 3.3Å; L1613-R1617 WeakPolarHBondContact O-CB 3.4Å; L1613-R1617 VanDerWaalsContact O-CG 3.31Å; L1613-R1617 WeakPolarHBondContact O-CG 3.39Å; L1613-R1617 PolarHBondContact O-N 3.29Å; M1614-R1617 PolarHBondContact O-N 3.17Å; R1617-E1620 IonicContact NH1-OE2 3.25Å; R1617-E1620 PolarHBondContact NH1-OE2 3.09Å; R1617-E1620 VanDerWaalsContact NH1-OE2 3.14Å; R1617-E1620 PolarHBondContact O-N 3.17Å; R1617-Y1621 WeakPolarHBondContact O-CB 3.36Å; R1617-Y1621 PolarHBondContact O-N 3.2Å; R1617-S1659 PolarHBondContact NH2-O 3.43Å |
| 1618 | H | 85.2 | Confident | 85.3 | Confident | 39 Ų | 39 | 41.9 Ų | 41.9 | 18% | 0.181 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 174 | -172.6 | 72 | 0 | 0 | 0 | 111.4 | H1554 T1561 M1614 A1615 V1616 E1620 Y1621 L1622 | H1554-H1618 AromaticContact ND1-CE1 3.86Å; H1554-H1618 AromaticContact ND1-NE2 3.85Å; T1561-H1618 HydrophobicContact CG2-CB 4.01Å; M1614-H1618 VanDerWaalsContact O-CB 3.31Å; M1614-H1618 WeakPolarHBondContact O-CB 3.44Å; M1614-H1618 PolarHBondContact O-N 3.28Å; A1615-H1618 PolarHBondContact O-N 3.11Å; V1616-H1618 VanDerWaalsContact C-N 3.33Å; V1616-H1618 PolarHBondContact O-N 2.97Å; H1618-E1620 PolarHBondContact O-N 3.09Å; H1618-Y1621 PolarHBondContact O-N 3.22Å; H1618-L1622 WeakPolarHBondContact NE2-CD1 3.47Å; H1618-L1622 WeakPolarHBondContact O-CG 3.39Å; H1618-L1622 PolarHBondContact O-N 3.32Å |
| 1619 | Y | 87.6 | Confident | 84.9 | Confident | 14.4 Ų | 14.4 | 50.2 Ų | 50.2 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.6 | 173.2 | -94.5 | 0 | 0 | 0 | 112.4 | A1615 V1616 Y1621 L1622 L1623 L1634 R1635 L1639 L1676 | A1615-Y1619 VanDerWaalsContact O-CB 3.3Å; A1615-Y1619 WeakPolarHBondContact O-CB 3.33Å; A1615-Y1619 PolarHBondContact O-N 3.23Å; V1616-Y1619 WeakPolarHBondContact O-CB 3.38Å; V1616-Y1619 PolarHBondContact O-N 3.11Å; Y1619-Y1621 VanDerWaalsContact C-N 3.34Å; Y1619-Y1621 PolarHBondContact O-N 2.99Å; Y1619-L1622 PolarHBondContact O-N 3.15Å; Y1619-L1623 HydrophobicContact CD1-CD1 3.98Å; Y1619-L1623 HydrophobicContact CE1-CD1 3.35Å; Y1619-L1623 HydrophobicContact CE1-CG 4.19Å; Y1619-L1623 HydrophobicContact CE2-CD1 4.46Å; Y1619-L1623 WeakPolarHBondContact O-CG 3.35Å; Y1619-L1623 PolarHBondContact O-N 3.15Å; Y1619-L1634 HydrophobicContact CD2-CD1 4.12Å; Y1619-L1634 HydrophobicContact CD2-CD2 3.84Å; Y1619-L1634 HydrophobicContact CD2-CG 4.2Å; Y1619-L1634 HydrophobicContact CE1-CD2 4.41Å; Y1619-L1634 HydrophobicContact CE2-CD1 3.77Å; Y1619-L1634 HydrophobicContact CE2-CD2 3.54Å; Y1619-L1634 HydrophobicContact CE2-CG 3.71Å; Y1619-L1634 HydrophobicContact CG-CD2 4.4Å; Y1619-L1634 PolarHBondContact OH-O 3.03Å; Y1619-L1634 VanDerWaalsContact OH-O 3.08Å; Y1619-R1635 WeakPolarHBondContact OH-CA 3.34Å; Y1619-L1639 HydrophobicContact CD2-CD1 4.37Å; Y1619-L1639 HydrophobicContact CG-CD1 4.27Å; Y1619-L1676 HydrophobicContact CD1-CD2 4.21Å; Y1619-L1676 HydrophobicContact CE1-CD2 4.34Å |
| 1620 | E | 87.9 | Confident | 84.5 | Confident | 37.8 Ų | 37.8 | 55.2 Ų | 55.2 | 18% | 0.177 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.5 | -73.5 | -176 | 167.9 | 0 | 0 | 112.4 | V1616 R1617 H1618 L1623 R1624 S1661 | V1616-E1620 HydrophobicContact CG1-CG 4.37Å; V1616-E1620 WeakPolarHBondContact O-CG 3.43Å; V1616-E1620 PolarHBondContact O-N 3.11Å; R1617-E1620 IonicContact NH1-OE2 3.25Å; R1617-E1620 PolarHBondContact NH1-OE2 3.09Å; R1617-E1620 VanDerWaalsContact NH1-OE2 3.14Å; R1617-E1620 PolarHBondContact O-N 3.17Å; H1618-E1620 PolarHBondContact O-N 3.09Å; E1620-L1623 WeakPolarHBondContact O-CB 3.46Å; E1620-L1623 PolarHBondContact O-N 3.29Å; E1620-R1624 PolarHBondContact O-N 3.12Å; E1620-R1624 VanDerWaalsContact O-N 3.13Å; E1620-S1661 VanDerWaalsContact CD-OG 3.25Å; E1620-S1661 WeakPolarHBondContact OE1-CB 3.26Å; E1620-S1661 PolarHBondContact OE1-OG 3.24Å; E1620-S1661 PolarHBondContact OE2-OG 3.25Å |
| 1621 | Y | 83.8 | Confident | 84.4 | Confident | 40.4 Ų | 40.4 | 58.8 Ų | 58.8 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.9 | -170.4 | -80.9 | 0 | 0 | 0 | 111.3 | L1553 L1556 A1557 D1560 R1617 H1618 Y1619 L1623 R1624 C1625 | L1553-Y1621 HydrophobicContact CD1-CE1 4.18Å; L1556-Y1621 HydrophobicContact CB-CE1 4.48Å; L1556-Y1621 WeakPolarHBondContact CB-OH 3.31Å; A1557-Y1621 VanDerWaalsContact CA-CD1 3.44Å; A1557-Y1621 VanDerWaalsContact CA-CE1 3.47Å; A1557-Y1621 HydrophobicContact CB-CD1 3.2Å; A1557-Y1621 HydrophobicContact CB-CE1 3.45Å; A1557-Y1621 HydrophobicContact CB-CG 3.87Å; D1560-Y1621 HydrophobicContact CB-CD2 3.95Å; D1560-Y1621 HydrophobicContact CB-CE2 3.97Å; D1560-Y1621 WeakPolarHBondContact OD2-CD2 3.11Å; R1617-Y1621 WeakPolarHBondContact O-CB 3.36Å; R1617-Y1621 PolarHBondContact O-N 3.2Å; H1618-Y1621 PolarHBondContact O-N 3.22Å; Y1619-Y1621 VanDerWaalsContact C-N 3.34Å; Y1619-Y1621 PolarHBondContact O-N 2.99Å; Y1621-L1623 VanDerWaalsContact C-N 3.29Å; Y1621-L1623 PolarHBondContact O-N 3.14Å; Y1621-R1624 WeakPolarHBondContact O-CA 3.37Å; Y1621-R1624 VanDerWaalsContact O-CB 3.31Å; Y1621-R1624 WeakPolarHBondContact O-CB 3.35Å; Y1621-R1624 PolarHBondContact O-N 3.16Å; Y1621-C1625 HydrophobicContact CD1-CB 4.4Å; Y1621-C1625 HydrophobicContact CE1-CB 4.27Å; Y1621-C1625 VanDerWaalsContact CE1-SG 3.55Å; Y1621-C1625 WeakPolarHBondContact CE1-SG 3.37Å; Y1621-C1625 VanDerWaalsContact CZ-SG 3.58Å; Y1621-C1625 PolarHBondContact O-N 2.98Å; Y1621-C1625 VanDerWaalsContact O-N 3.12Å; Y1621-C1625 PolarHBondContact O-SG 3.07Å |
| 1622 | L | 83.2 | Confident | 84.2 | Confident | 20.6 Ų | 20.6 | 59.1 Ų | 59.1 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 175.5 | -72.5 | 178.3 | 0 | 0 | 0 | 111.8 | H1618 Y1619 R1624 C1625 L1626 L1634 | H1618-L1622 WeakPolarHBondContact NE2-CD1 3.47Å; H1618-L1622 WeakPolarHBondContact O-CG 3.39Å; H1618-L1622 PolarHBondContact O-N 3.32Å; Y1619-L1622 PolarHBondContact O-N 3.15Å; L1622-R1624 PolarHBondContact O-N 3.22Å; L1622-C1625 PolarHBondContact O-N 3.04Å; L1622-L1626 HydrophobicContact CB-CD1 3.96Å; L1622-L1626 HydrophobicContact CB-CG 4.32Å; L1622-L1626 HydrophobicContact CD2-CD1 4.41Å; L1622-L1626 HydrophobicContact CD2-CG 4.42Å; L1622-L1626 VanDerWaalsContact O-CB 3.26Å; L1622-L1626 WeakPolarHBondContact O-CB 3.35Å; L1622-L1626 VanDerWaalsContact O-CG 3.24Å; L1622-L1626 WeakPolarHBondContact O-CG 3.35Å; L1622-L1626 PolarHBondContact O-N 2.96Å; L1622-L1634 HydrophobicContact CB-CD2 4.05Å |
| 1623 | L | 85.4 | Confident | 83.8 | Confident | 25.6 Ų | 25.6 | 62.6 Ų | 62.6 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -28.3 | 173.7 | -77.3 | 178.9 | 0 | 0 | 0 | 113.5 | Y1619 E1620 Y1621 R1631 L1634 R1635 | Y1619-L1623 HydrophobicContact CD1-CD1 3.98Å; Y1619-L1623 HydrophobicContact CE1-CD1 3.35Å; Y1619-L1623 HydrophobicContact CE1-CG 4.19Å; Y1619-L1623 HydrophobicContact CE2-CD1 4.46Å; Y1619-L1623 WeakPolarHBondContact O-CG 3.35Å; Y1619-L1623 PolarHBondContact O-N 3.15Å; E1620-L1623 WeakPolarHBondContact O-CB 3.46Å; E1620-L1623 PolarHBondContact O-N 3.29Å; Y1621-L1623 VanDerWaalsContact C-N 3.29Å; Y1621-L1623 PolarHBondContact O-N 3.14Å; L1623-R1631 HydrophobicContact CD2-CB 4.3Å; L1623-R1631 HydrophobicContact CD2-CG 4.46Å; L1623-R1631 WeakPolarHBondContact O-CD 3.37Å; L1623-R1631 VanDerWaalsContact O-CZ 3.27Å; L1623-R1631 PolarHBondContact O-NE 3.18Å; L1623-R1631 PolarHBondContact O-NH1 3.06Å; L1623-L1634 HydrophobicContact CD1-CD2 4.35Å; L1623-L1634 HydrophobicContact CD2-CB 4.29Å; L1623-L1634 HydrophobicContact CD2-CD2 3.54Å; L1623-L1634 HydrophobicContact CD2-CG 4.21Å; L1623-L1634 HydrophobicContact CG-CD2 3.77Å; L1623-R1635 HydrophobicContact CD1-CG 4.29Å; L1623-R1635 HydrophobicContact CD2-CG 3.64Å |
| 1624 | R | 83.7 | Confident | 83.6 | Confident | 198.6 Ų | 198.6 | 63.9 Ų | 63.9 | 75% | 0.749 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -77.3 | -33.9 | 176.8 | -173.9 | 176.6 | 178.9 | 144.7 | -1.3 | 112.3 | E1620 Y1621 L1622 R1631 | E1620-R1624 PolarHBondContact O-N 3.12Å; E1620-R1624 VanDerWaalsContact O-N 3.13Å; Y1621-R1624 WeakPolarHBondContact O-CA 3.37Å; Y1621-R1624 VanDerWaalsContact O-CB 3.31Å; Y1621-R1624 WeakPolarHBondContact O-CB 3.35Å; Y1621-R1624 PolarHBondContact O-N 3.16Å; L1622-R1624 PolarHBondContact O-N 3.22Å; R1624-R1631 VanDerWaalsContact O-CZ 3.28Å; R1624-R1631 PolarHBondContact O-NH2 3.31Å |
| 1625 | C | 78.9 | Confident | 83.6 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -105 | -27.8 | -168.2 | -61.2 | 0 | 0 | 0 | 0 | 114.5 | L1553 Y1621 L1622 | L1553-C1625 HydrophobicContact CD1-CB 3.65Å; L1553-C1625 VanDerWaalsContact CD1-CB 3.44Å; L1553-C1625 HydrophobicContact CD2-CB 3.93Å; L1553-C1625 HydrophobicContact CG-CB 4.09Å; Y1621-C1625 HydrophobicContact CD1-CB 4.4Å; Y1621-C1625 HydrophobicContact CE1-CB 4.27Å; Y1621-C1625 VanDerWaalsContact CE1-SG 3.55Å; Y1621-C1625 WeakPolarHBondContact CE1-SG 3.37Å; Y1621-C1625 VanDerWaalsContact CZ-SG 3.58Å; Y1621-C1625 PolarHBondContact O-N 2.98Å; Y1621-C1625 VanDerWaalsContact O-N 3.12Å; Y1621-C1625 PolarHBondContact O-SG 3.07Å; L1622-C1625 PolarHBondContact O-N 3.04Å |
| 1626 | L | 78.5 | Confident | 83.4 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -67.1 | 159.3 | -178 | -71.8 | 174.7 | 0 | 0 | 0 | 113.2 | L1553 L1622 Q1630 R1631 L1634 | L1553-L1626 HydrophobicContact CD2-CD2 4.35Å; L1622-L1626 HydrophobicContact CB-CD1 3.96Å; L1622-L1626 HydrophobicContact CB-CG 4.32Å; L1622-L1626 HydrophobicContact CD2-CD1 4.41Å; L1622-L1626 HydrophobicContact CD2-CG 4.42Å; L1622-L1626 VanDerWaalsContact O-CB 3.26Å; L1622-L1626 WeakPolarHBondContact O-CB 3.35Å; L1622-L1626 VanDerWaalsContact O-CG 3.24Å; L1622-L1626 WeakPolarHBondContact O-CG 3.35Å; L1622-L1626 PolarHBondContact O-N 2.96Å; L1626-Q1630 HydrophobicContact CB-CB 4.4Å; L1626-R1631 HydrophobicContact CB-CG 4.19Å; L1626-R1631 PolarHBondContact O-NE 3.22Å; L1626-R1631 PolarHBondContact O-NH2 3.13Å; L1626-L1634 HydrophobicContact CD1-CD1 3.98Å; L1626-L1634 HydrophobicContact CD1-CD2 3.75Å |
| 1627 | P | 79.7 | Confident | 83.1 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | trans | -64.1 | 153.8 | 170.3 | -23.9 | 34.1 | 0 | 0 | 0 | 114.1 | K1629 Q1630 R1631 | P1627-K1629 PolarHBondContact O-N 3.18Å; P1627-Q1630 PolarHBondContact O-N 3.27Å; P1627-Q1630 VanDerWaalsContact O-N 3.08Å; P1627-R1631 WeakPolarHBondContact O-CG 3.44Å; P1627-R1631 PolarHBondContact O-N 3.15Å | ||
| 1628 | F | 78.2 | Confident | 83.1 | Confident | 162.8 Ų | 162.8 | 80.3 Ų | 80.3 | 71% | 0.714 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -51.5 | -46.6 | -174.1 | -177.4 | -95.9 | 0 | 0 | 0 | 114.5 | Q1630 R1631 V1632 | F1628-Q1630 VanDerWaalsContact C-N 3.31Å; F1628-Q1630 PolarHBondContact O-N 3.07Å; F1628-R1631 WeakPolarHBondContact O-CB 3.19Å; F1628-R1631 PolarHBondContact O-N 3.27Å; F1628-V1632 HydrophobicContact CD1-CG2 4.24Å; F1628-V1632 HydrophobicContact CE1-CG2 3.81Å; F1628-V1632 HydrophobicContact CE2-CG2 4.38Å; F1628-V1632 HydrophobicContact CZ-CG2 3.91Å; F1628-V1632 WeakPolarHBondContact O-CG2 3.32Å; F1628-V1632 PolarHBondContact O-N 3.21Å; F1628-V1632 VanDerWaalsContact O-N 3.14Å |
| 1629 | K | 80.6 | Confident | 83.4 | Confident | 177.8 Ų | 177.8 | 79.1 Ų | 79.1 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.7 | -41.7 | 179.7 | -68.1 | -174.7 | 179 | -178.1 | 0 | 112.1 | P1627 V1632 V1633 | P1627-K1629 PolarHBondContact O-N 3.18Å; K1629-V1632 PolarHBondContact O-N 3.01Å; K1629-V1633 WeakPolarHBondContact O-CG2 3.35Å; K1629-V1633 PolarHBondContact O-N 3.28Å |
| 1630 | Q | 80.6 | Confident | 83.5 | Confident | 104.8 Ų | 104.8 | 80.8 Ų | 80.8 | 49% | 0.49 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.3 | -35.9 | 178.6 | -69.3 | 178.1 | -10.2 | 0 | 0 | 111.5 | L1626 P1627 F1628 V1632 V1633 L1634 | L1626-Q1630 HydrophobicContact CB-CB 4.4Å; P1627-Q1630 PolarHBondContact O-N 3.27Å; P1627-Q1630 VanDerWaalsContact O-N 3.08Å; F1628-Q1630 VanDerWaalsContact C-N 3.31Å; F1628-Q1630 PolarHBondContact O-N 3.07Å; Q1630-V1632 VanDerWaalsContact C-N 3.33Å; Q1630-V1632 PolarHBondContact O-N 3.08Å; Q1630-V1633 PolarHBondContact O-N 2.91Å; Q1630-L1634 VanDerWaalsContact O-CB 3.27Å; Q1630-L1634 WeakPolarHBondContact O-CB 3.45Å; Q1630-L1634 PolarHBondContact O-N 3.28Å |
| 1631 | R | 82.8 | Confident | 83.6 | Confident | 80.2 Ų | 80.2 | 80 Ų | 80 | 30% | 0.303 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 172.5 | -66.3 | -179.1 | -165.4 | -169 | 3.9 | 112.3 | L1623 R1624 L1626 P1627 F1628 L1634 R1635 | L1623-R1631 HydrophobicContact CD2-CB 4.3Å; L1623-R1631 HydrophobicContact CD2-CG 4.46Å; L1623-R1631 WeakPolarHBondContact O-CD 3.37Å; L1623-R1631 VanDerWaalsContact O-CZ 3.27Å; L1623-R1631 PolarHBondContact O-NE 3.18Å; L1623-R1631 PolarHBondContact O-NH1 3.06Å; R1624-R1631 VanDerWaalsContact O-CZ 3.28Å; R1624-R1631 PolarHBondContact O-NH2 3.31Å; L1626-R1631 HydrophobicContact CB-CG 4.19Å; L1626-R1631 PolarHBondContact O-NE 3.22Å; L1626-R1631 PolarHBondContact O-NH2 3.13Å; P1627-R1631 WeakPolarHBondContact O-CG 3.44Å; P1627-R1631 PolarHBondContact O-N 3.15Å; F1628-R1631 WeakPolarHBondContact O-CB 3.19Å; F1628-R1631 PolarHBondContact O-N 3.27Å; R1631-L1634 PolarHBondContact O-N 3.06Å; R1631-R1635 WeakPolarHBondContact O-CB 3.27Å; R1631-R1635 VanDerWaalsContact O-CG 3.32Å; R1631-R1635 WeakPolarHBondContact O-CG 3.36Å; R1631-R1635 PolarHBondContact O-N 3.01Å |
| 1632 | V | 83.3 | Confident | 83.9 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | F1628 K1629 Q1630 L1634 R1635 Q1636 | F1628-V1632 HydrophobicContact CD1-CG2 4.24Å; F1628-V1632 HydrophobicContact CE1-CG2 3.81Å; F1628-V1632 HydrophobicContact CE2-CG2 4.38Å; F1628-V1632 HydrophobicContact CZ-CG2 3.91Å; F1628-V1632 WeakPolarHBondContact O-CG2 3.32Å; F1628-V1632 PolarHBondContact O-N 3.21Å; F1628-V1632 VanDerWaalsContact O-N 3.14Å; K1629-V1632 PolarHBondContact O-N 3.01Å; Q1630-V1632 VanDerWaalsContact C-N 3.33Å; Q1630-V1632 PolarHBondContact O-N 3.08Å; V1632-L1634 PolarHBondContact O-N 3.07Å; V1632-R1635 PolarHBondContact O-N 3.15Å; V1632-Q1636 WeakPolarHBondContact O-CB 3.48Å; V1632-Q1636 VanDerWaalsContact O-CG 3.31Å; V1632-Q1636 WeakPolarHBondContact O-CG 3.42Å; V1632-Q1636 PolarHBondContact O-N 3.14Å |
| 1633 | V | 83.6 | Confident | 84.3 | Confident | 73.6 Ų | 73.6 | 78.4 Ų | 78.4 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | K1629 Q1630 R1635 Q1636 K1637 | K1629-V1633 WeakPolarHBondContact O-CG2 3.35Å; K1629-V1633 PolarHBondContact O-N 3.28Å; Q1630-V1633 PolarHBondContact O-N 2.91Å; V1633-R1635 VanDerWaalsContact C-N 3.35Å; V1633-R1635 PolarHBondContact O-N 3.21Å; V1633-Q1636 PolarHBondContact O-N 3.06Å; V1633-K1637 HydrophobicContact CG1-CD 4.41Å; V1633-K1637 WeakPolarHBondContact O-CG 3.44Å; V1633-K1637 PolarHBondContact O-N 3.03Å; V1633-K1637 VanDerWaalsContact O-N 3.09Å |
| 1634 | L | 83.4 | Confident | 84.7 | Confident | 39.4 Ų | 39.4 | 77.4 Ų | 77.4 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.4 | -34.2 | -179.9 | -171 | 106.3 | 0 | 0 | 0 | 112.5 | Y1619 L1622 L1623 L1626 Q1630 R1631 V1632 G1638 | Y1619-L1634 HydrophobicContact CD2-CD1 4.12Å; Y1619-L1634 HydrophobicContact CD2-CD2 3.84Å; Y1619-L1634 HydrophobicContact CD2-CG 4.2Å; Y1619-L1634 HydrophobicContact CE1-CD2 4.41Å; Y1619-L1634 HydrophobicContact CE2-CD1 3.77Å; Y1619-L1634 HydrophobicContact CE2-CD2 3.54Å; Y1619-L1634 HydrophobicContact CE2-CG 3.71Å; Y1619-L1634 HydrophobicContact CG-CD2 4.4Å; Y1619-L1634 PolarHBondContact OH-O 3.03Å; Y1619-L1634 VanDerWaalsContact OH-O 3.08Å; L1622-L1634 HydrophobicContact CB-CD2 4.05Å; L1623-L1634 HydrophobicContact CD1-CD2 4.35Å; L1623-L1634 HydrophobicContact CD2-CB 4.29Å; L1623-L1634 HydrophobicContact CD2-CD2 3.54Å; L1623-L1634 HydrophobicContact CD2-CG 4.21Å; L1623-L1634 HydrophobicContact CG-CD2 3.77Å; L1626-L1634 HydrophobicContact CD1-CD1 3.98Å; L1626-L1634 HydrophobicContact CD1-CD2 3.75Å; Q1630-L1634 VanDerWaalsContact O-CB 3.27Å; Q1630-L1634 WeakPolarHBondContact O-CB 3.45Å; Q1630-L1634 PolarHBondContact O-N 3.28Å; R1631-L1634 PolarHBondContact O-N 3.06Å; V1632-L1634 PolarHBondContact O-N 3.07Å; L1634-G1638 PolarHBondContact O-N 3.24Å |
| 1635 | R | 84.9 | Confident | 85.2 | Confident | 156.8 Ų | 156.8 | 67.9 Ų | 67.9 | 59% | 0.592 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.7 | -41.2 | 172 | -76 | -177.3 | 179.5 | 179.9 | -2.5 | 112.9 | Y1619 L1623 R1631 V1632 V1633 K1637 G1638 | Y1619-R1635 WeakPolarHBondContact OH-CA 3.34Å; L1623-R1635 HydrophobicContact CD1-CG 4.29Å; L1623-R1635 HydrophobicContact CD2-CG 3.64Å; R1631-R1635 WeakPolarHBondContact O-CB 3.27Å; R1631-R1635 VanDerWaalsContact O-CG 3.32Å; R1631-R1635 WeakPolarHBondContact O-CG 3.36Å; R1631-R1635 PolarHBondContact O-N 3.01Å; V1632-R1635 PolarHBondContact O-N 3.15Å; V1633-R1635 VanDerWaalsContact C-N 3.35Å; V1633-R1635 PolarHBondContact O-N 3.21Å; R1635-K1637 VanDerWaalsContact C-N 3.33Å; R1635-K1637 PolarHBondContact O-N 3.44Å; R1635-G1638 PolarHBondContact O-N 3.32Å |
| 1636 | Q | 83.5 | Confident | 85.9 | Confident | 157.6 Ų | 157.6 | 66.8 Ų | 66.8 | 74% | 0.736 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 179.1 | -76.3 | 176.3 | -8.4 | 0 | 0 | 112.1 | V1632 V1633 | V1632-Q1636 WeakPolarHBondContact O-CB 3.48Å; V1632-Q1636 VanDerWaalsContact O-CG 3.31Å; V1632-Q1636 WeakPolarHBondContact O-CG 3.42Å; V1632-Q1636 PolarHBondContact O-N 3.14Å; V1633-Q1636 PolarHBondContact O-N 3.06Å |
| 1637 | K | 83.1 | Confident | 86.6 | Confident | 151 Ų | 151 | 65.7 Ų | 65.7 | 66% | 0.657 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.8 | -41.2 | 176.3 | -69.9 | -172 | 174.9 | -161.5 | 0 | 112.6 | V1633 R1635 | V1633-K1637 HydrophobicContact CG1-CD 4.41Å; V1633-K1637 WeakPolarHBondContact O-CG 3.44Å; V1633-K1637 PolarHBondContact O-N 3.03Å; V1633-K1637 VanDerWaalsContact O-N 3.09Å; R1635-K1637 VanDerWaalsContact C-N 3.33Å; R1635-K1637 PolarHBondContact O-N 3.44Å |
| 1638 | G | 88.2 | Confident | 87.3 | Confident | 7 Ų | 7 | 62 Ų | 62 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | trans | 75.1 | -165.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1634 R1635 S1675 | L1634-G1638 PolarHBondContact O-N 3.24Å; R1635-G1638 PolarHBondContact O-N 3.32Å; G1638-S1675 CarbonylContact C-O 3.48Å; G1638-S1675 WeakPolarHBondContact CA-O 3.28Å | ||
| 1639 | L | 90.3 | Very high | 87.9 | Confident | 13.8 Ų | 13.8 | 54.8 Ų | 54.8 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -73.2 | 130.9 | 177.9 | -167.5 | 71.6 | 0 | 0 | 0 | 109.5 | Y1612 A1615 V1616 Y1619 N1643 V1644 S1675 | Y1612-L1639 HydrophobicContact CD2-CD2 4.01Å; Y1612-L1639 HydrophobicContact CE2-CD2 3.61Å; A1615-L1639 HydrophobicContact CB-CD1 4.32Å; V1616-L1639 HydrophobicContact CG2-CD2 4.09Å; Y1619-L1639 HydrophobicContact CD2-CD1 4.37Å; Y1619-L1639 HydrophobicContact CG-CD1 4.27Å; L1639-N1643 HydrophobicContact CD1-CB 4.12Å; L1639-N1643 HydrophobicContact CD2-CB 3.86Å; L1639-N1643 HydrophobicContact CG-CB 3.8Å; L1639-V1644 HydrophobicContact CB-CG2 4.12Å; L1639-V1644 HydrophobicContact CD2-CG2 3.98Å; L1639-V1644 HydrophobicContact CG-CG2 4.24Å; L1639-S1675 WeakPolarHBondContact CB-O 3.36Å; L1639-S1675 PolarHBondContact N-O 3.04Å |
| 1640 | P | 89.4 | Confident | 88.5 | Confident | 51 Ų | 51 | 46.4 Ų | 46.4 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | trans | -56.2 | 145.5 | 178 | -26 | 33.8 | 0 | 0 | 0 | 112.8 | A1642 N1643 V1644 E1877 | P1640-A1642 PolarHBondContact O-N 3.13Å; P1640-A1642 VanDerWaalsContact O-N 3.17Å; P1640-N1643 PolarHBondContact O-N 2.96Å; P1640-V1644 WeakPolarHBondContact O-CG2 3.31Å; P1640-V1644 PolarHBondContact O-N 3.08Å; P1640-V1644 VanDerWaalsContact O-N 3.09Å; P1640-E1877 WeakPolarHBondContact CB-O 3.46Å | ||
| 1641 | S | 90 | Very high | 88.8 | Confident | 19.6 Ų | 19.6 | 49.4 Ų | 49.4 | 14% | 0.137 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.5 | -35.8 | 176.2 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | N1643 V1644 I1645 D1840 | S1641-N1643 PolarHBondContact O-N 3.13Å; S1641-V1644 PolarHBondContact O-N 3.21Å; S1641-I1645 WeakPolarHBondContact O-CB 3.3Å; S1641-I1645 PolarHBondContact O-N 2.93Å; S1641-D1840 WeakPolarHBondContact CB-OD2 3.3Å; S1641-D1840 VanDerWaalsContact OG-CG 3.27Å; S1641-D1840 PolarHBondContact OG-OD1 3.14Å; S1641-D1840 PolarHBondContact OG-OD2 3.13Å |
| 1642 | A | 90.2 | Very high | 89.1 | Confident | 1.4 Ų | 1.4 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.1 | -27.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1640 I1645 W1646 F1842 D1882 | P1640-A1642 PolarHBondContact O-N 3.13Å; P1640-A1642 VanDerWaalsContact O-N 3.17Å; A1642-I1645 WeakPolarHBondContact O-CG2 3.38Å; A1642-W1646 VanDerWaalsContact O-CD1 3.25Å; A1642-W1646 PolarHBondContact O-NE1 3.01Å; A1642-F1842 HydrophobicContact CB-CD1 4.08Å; A1642-F1842 HydrophobicContact CB-CD2 3.8Å; A1642-F1842 HydrophobicContact CB-CE1 3.92Å; A1642-F1842 HydrophobicContact CB-CE2 3.68Å; A1642-F1842 HydrophobicContact CB-CG 3.99Å; A1642-F1842 HydrophobicContact CB-CZ 3.72Å; A1642-D1882 HydrophobicContact CB-CB 4.2Å |
| 1643 | N | 91.6 | Very high | 89.4 | Confident | 26.2 Ų | 26.2 | 45.3 Ų | 45.3 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -93.3 | -38.8 | 174.8 | -67.9 | -39 | 0 | 0 | 0 | 111.6 | A1615 L1639 P1640 S1641 I1645 W1646 | A1615-N1643 HydrophobicContact CB-CB 3.79Å; L1639-N1643 HydrophobicContact CD1-CB 4.12Å; L1639-N1643 HydrophobicContact CD2-CB 3.86Å; L1639-N1643 HydrophobicContact CG-CB 3.8Å; P1640-N1643 PolarHBondContact O-N 2.96Å; S1641-N1643 PolarHBondContact O-N 3.13Å; N1643-I1645 VanDerWaalsContact C-N 3.28Å; N1643-I1645 PolarHBondContact O-N 3.12Å; N1643-W1646 PolarHBondContact O-N 2.87Å |
| 1644 | V | 93.4 | Very high | 89.6 | Confident | 4.8 Ų | 4.8 | 44.8 Ų | 44.8 | 3% | 0.029 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 179.8 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | L1639 P1640 S1641 W1646 A1647 W1680 | L1639-V1644 HydrophobicContact CB-CG2 4.12Å; L1639-V1644 HydrophobicContact CD2-CG2 3.98Å; L1639-V1644 HydrophobicContact CG-CG2 4.24Å; P1640-V1644 WeakPolarHBondContact O-CG2 3.31Å; P1640-V1644 PolarHBondContact O-N 3.08Å; P1640-V1644 VanDerWaalsContact O-N 3.09Å; S1641-V1644 PolarHBondContact O-N 3.21Å; V1644-W1646 PolarHBondContact O-N 3.05Å; V1644-A1647 WeakPolarHBondContact O-CB 3.3Å; V1644-A1647 PolarHBondContact O-N 3.07Å; V1644-A1647 VanDerWaalsContact O-N 3.1Å; V1644-W1680 HydrophobicContact CG1-CB 4.05Å |
| 1645 | I | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -31.3 | -177.8 | -161.6 | 164.9 | 0 | 0 | 0 | 112.9 | S1641 A1642 N1643 A1647 L1648 H1649 F1842 I1846 F1861 F1886 | S1641-I1645 WeakPolarHBondContact O-CB 3.3Å; S1641-I1645 PolarHBondContact O-N 2.93Å; A1642-I1645 WeakPolarHBondContact O-CG2 3.38Å; N1643-I1645 VanDerWaalsContact C-N 3.28Å; N1643-I1645 PolarHBondContact O-N 3.12Å; I1645-A1647 VanDerWaalsContact C-N 3.27Å; I1645-A1647 PolarHBondContact O-N 3.16Å; I1645-L1648 VanDerWaalsContact O-CB 3.31Å; I1645-L1648 WeakPolarHBondContact O-CB 3.34Å; I1645-L1648 PolarHBondContact O-N 3.16Å; I1645-L1648 VanDerWaalsContact O-N 3.09Å; I1645-H1649 PolarHBondContact O-CD2 3.16Å; I1645-H1649 PolarHBondContact O-N 3.14Å; I1645-F1842 HydrophobicContact CD1-CB 4.39Å; I1645-F1842 HydrophobicContact CD1-CD1 4.2Å; I1645-F1842 HydrophobicContact CG2-CD1 3.96Å; I1645-I1846 HydrophobicContact CB-CD1 4.18Å; I1645-I1846 HydrophobicContact CB-CG1 4.17Å; I1645-I1846 HydrophobicContact CD1-CG1 3.87Å; I1645-I1846 HydrophobicContact CG1-CD1 4.28Å; I1645-I1846 HydrophobicContact CG1-CG1 3.71Å; I1645-F1861 HydrophobicContact CD1-CZ 4.29Å; I1645-F1886 HydrophobicContact CB-CE2 4.35Å; I1645-F1886 HydrophobicContact CB-CZ 4.3Å; I1645-F1886 HydrophobicContact CD1-CD1 4.02Å; I1645-F1886 HydrophobicContact CD1-CE1 3.22Å; I1645-F1886 HydrophobicContact CD1-CE2 4.16Å; I1645-F1886 HydrophobicContact CD1-CZ 3.33Å; I1645-F1886 HydrophobicContact CG1-CE1 3.86Å; I1645-F1886 HydrophobicContact CG1-CE2 3.88Å; I1645-F1886 HydrophobicContact CG1-CZ 3.39Å; I1645-F1886 HydrophobicContact CG2-CD1 4.49Å; I1645-F1886 HydrophobicContact CG2-CD2 3.8Å; I1645-F1886 HydrophobicContact CG2-CE1 4.37Å; I1645-F1886 HydrophobicContact CG2-CE2 3.68Å; I1645-F1886 HydrophobicContact CG2-CG 4.23Å; I1645-F1886 HydrophobicContact CG2-CZ 4Å |
| 1646 | W | 93.7 | Very high | 90.1 | Very high | 18.6 Ų | 18.6 | 39.2 Ų | 39.2 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 177.7 | -68.6 | 104.8 | 0 | 0 | 0 | 112 | C1608 R1611 A1642 N1643 V1644 L1648 H1649 S1650 N1885 F1886 Y1889 | C1608-W1646 HydrophobicContact CB-CE3 4.35Å; C1608-W1646 WeakPolarHBondContact CB-O 3.36Å; R1611-W1646 HydrophobicContact CB-CB 4.45Å; R1611-W1646 HydrophobicContact CB-CD2 4.39Å; R1611-W1646 HydrophobicContact CB-CG 4.26Å; A1642-W1646 VanDerWaalsContact O-CD1 3.25Å; A1642-W1646 PolarHBondContact O-NE1 3.01Å; N1643-W1646 PolarHBondContact O-N 2.87Å; V1644-W1646 PolarHBondContact O-N 3.05Å; W1646-L1648 VanDerWaalsContact C-N 3.32Å; W1646-L1648 PolarHBondContact O-N 3.11Å; W1646-H1649 PolarHBondContact O-N 3.17Å; W1646-S1650 PolarHBondContact O-N 3.06Å; W1646-N1885 HydrophobicContact CZ2-CB 4.47Å; W1646-F1886 AromaticContact CD2-CD2 3.91Å; W1646-F1886 HydrophobicContact CD2-CD2 3.91Å; W1646-F1886 HydrophobicContact CD2-CE2 4.34Å; W1646-F1886 AromaticContact CE2-CD2 3.72Å; W1646-F1886 AromaticContact CE3-CD2 3.98Å; W1646-F1886 HydrophobicContact CE3-CD2 3.99Å; W1646-F1886 HydrophobicContact CE3-CE2 4.23Å; W1646-F1886 HydrophobicContact CH2-CB 4.35Å; W1646-F1886 AromaticContact CH2-CD2 3.79Å; W1646-F1886 HydrophobicContact CH2-CD2 3.79Å; W1646-F1886 HydrophobicContact CH2-CG 4.5Å; W1646-F1886 HydrophobicContact CZ2-CB 3.91Å; W1646-F1886 AromaticContact CZ2-CD2 3.68Å; W1646-F1886 HydrophobicContact CZ2-CD2 3.68Å; W1646-F1886 HydrophobicContact CZ2-CG 4.3Å; W1646-F1886 AromaticContact CZ3-CD2 3.93Å; W1646-F1886 HydrophobicContact CZ3-CD2 3.93Å; W1646-F1886 HydrophobicContact CZ3-CE2 4.4Å; W1646-Y1889 HydrophobicContact CE3-CD1 4.48Å; W1646-Y1889 HydrophobicContact CH2-CD1 4.47Å; W1646-Y1889 HydrophobicContact CH2-CG 4.08Å; W1646-Y1889 AromaticContact CZ3-CD1 3.81Å; W1646-Y1889 HydrophobicContact CZ3-CD1 3.81Å; W1646-Y1889 AromaticContact CZ3-CD2 3.97Å; W1646-Y1889 HydrophobicContact CZ3-CD2 4.02Å; W1646-Y1889 HydrophobicContact CZ3-CE1 4.45Å; W1646-Y1889 AromaticContact CZ3-CG 3.58Å; W1646-Y1889 HydrophobicContact CZ3-CG 3.58Å |
| 1647 | A | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -32.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1612 V1644 I1645 H1649 S1650 L1656 W1681 | Y1612-A1647 HydrophobicContact CD1-CB 3.89Å; Y1612-A1647 HydrophobicContact CD2-CB 3.66Å; Y1612-A1647 HydrophobicContact CE1-CB 4.16Å; Y1612-A1647 HydrophobicContact CE2-CB 3.94Å; Y1612-A1647 HydrophobicContact CG-CB 3.62Å; V1644-A1647 WeakPolarHBondContact O-CB 3.3Å; V1644-A1647 PolarHBondContact O-N 3.07Å; V1644-A1647 VanDerWaalsContact O-N 3.1Å; I1645-A1647 VanDerWaalsContact C-N 3.27Å; I1645-A1647 PolarHBondContact O-N 3.16Å; A1647-H1649 PolarHBondContact O-N 2.98Å; A1647-S1650 WeakPolarHBondContact O-CB 3.33Å; A1647-S1650 PolarHBondContact O-N 3.13Å; A1647-S1650 VanDerWaalsContact O-N 3.13Å; A1647-L1656 HydrophobicContact CB-CD1 4.38Å; A1647-W1681 HydrophobicContact CB-CB 3.69Å; A1647-W1681 HydrophobicContact CB-CD2 3.66Å; A1647-W1681 HydrophobicContact CB-CE3 4.29Å; A1647-W1681 HydrophobicContact CB-CG 3.37Å |
| 1648 | L | 93.8 | Very high | 90.7 | Very high | 2.2 Ų | 2.2 | 29.2 Ų | 29.2 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -35.2 | 176.7 | 176.3 | 68.2 | 0 | 0 | 0 | 111.2 | I1645 W1646 W1681 K1683 I1846 W1849 Y1850 | I1645-L1648 VanDerWaalsContact O-CB 3.31Å; I1645-L1648 WeakPolarHBondContact O-CB 3.34Å; I1645-L1648 PolarHBondContact O-N 3.16Å; I1645-L1648 VanDerWaalsContact O-N 3.09Å; W1646-L1648 VanDerWaalsContact C-N 3.32Å; W1646-L1648 PolarHBondContact O-N 3.11Å; L1648-W1681 HydrophobicContact CB-CB 4.04Å; L1648-W1681 VanDerWaalsContact N-CB 3.3Å; L1648-K1683 HydrophobicContact CD1-CD 4.25Å; L1648-K1683 HydrophobicContact CD1-CG 4.3Å; L1648-K1683 PolarHBondContact O-NZ 3.25Å; L1648-I1846 HydrophobicContact CD2-CB 4.25Å; L1648-I1846 HydrophobicContact CD2-CG1 4.02Å; L1648-I1846 HydrophobicContact CD2-CG2 4.13Å; L1648-W1849 HydrophobicContact CD2-CB 4.15Å; L1648-W1849 HydrophobicContact CD2-CG 4.14Å; L1648-Y1850 HydrophobicContact CD1-CE2 4.12Å |
| 1649 | H | 92.3 | Very high | 90.6 | Very high | 11.4 Ų | 11.4 | 29.9 Ų | 29.9 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.1 | 179.7 | -73.5 | -83.5 | 0 | 0 | 0 | 114.4 | C1608 I1645 W1646 A1647 W1849 F1886 Y1889 L1890 | C1608-H1649 HydrophobicContact CB-CB 4.49Å; I1645-H1649 PolarHBondContact O-CD2 3.16Å; I1645-H1649 PolarHBondContact O-N 3.14Å; W1646-H1649 PolarHBondContact O-N 3.17Å; A1647-H1649 PolarHBondContact O-N 2.98Å; H1649-W1849 AromaticContact CE1-CD2 3.48Å; H1649-W1849 VanDerWaalsContact CE1-CD2 3.47Å; H1649-W1849 AromaticContact CE1-CE2 3.4Å; H1649-W1849 VanDerWaalsContact CE1-CE2 3.42Å; H1649-W1849 AromaticContact CE1-CE3 3.49Å; H1649-W1849 VanDerWaalsContact CE1-CE3 3.48Å; H1649-W1849 AromaticContact CE1-CH2 3.41Å; H1649-W1849 VanDerWaalsContact CE1-CH2 3.41Å; H1649-W1849 WeakPolarHBondContact CE1-CH2 3.34Å; H1649-W1849 AromaticContact CE1-CZ2 3.36Å; H1649-W1849 WeakPolarHBondContact CE1-CZ2 3.31Å; H1649-W1849 AromaticContact CE1-CZ3 3.48Å; H1649-W1849 VanDerWaalsContact CE1-CZ3 3.48Å; H1649-W1849 WeakPolarHBondContact CE1-CZ3 3.33Å; H1649-W1849 AromaticContact ND1-CE2 3.97Å; H1649-W1849 AromaticContact ND1-CH2 3.9Å; H1649-W1849 AromaticContact ND1-CZ2 3.67Å; H1649-W1849 AromaticContact NE2-CD2 3.96Å; H1649-F1886 AromaticContact CD2-CE2 3.84Å; H1649-F1886 AromaticContact CD2-CZ 3.58Å; H1649-F1886 AromaticContact NE2-CZ 3.57Å; H1649-Y1889 HydrophobicContact CB-CE1 3.79Å; H1649-Y1889 AromaticContact CG-CE1 3.8Å; H1649-Y1889 AromaticContact ND1-CE1 3.92Å; H1649-L1890 VanDerWaalsContact CE1-CD2 3.44Å; H1649-L1890 WeakPolarHBondContact CE1-CD2 3.28Å |
| 1650 | S | 91.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -76 | 144 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | D1606 W1646 A1647 T1652 L1656 K1683 | D1606-S1650 WeakPolarHBondContact OD1-CB 3.38Å; D1606-S1650 PolarHBondContact OD1-OG 3.3Å; D1606-S1650 WeakPolarHBondContact OD2-CA 3.4Å; D1606-S1650 PolarHBondContact OD2-OG 3.34Å; D1606-S1650 VanDerWaalsContact OD2-OG 3.08Å; W1646-S1650 PolarHBondContact O-N 3.06Å; A1647-S1650 WeakPolarHBondContact O-CB 3.33Å; A1647-S1650 PolarHBondContact O-N 3.13Å; A1647-S1650 VanDerWaalsContact O-N 3.13Å; S1650-T1652 PolarHBondContact OG-N 3.19Å; S1650-T1652 VanDerWaalsContact OG-N 3.15Å; S1650-T1652 PolarHBondContact OG-OG1 3.05Å; S1650-T1652 VanDerWaalsContact OG-OG1 3.07Å; S1650-L1656 VanDerWaalsContact CB-CD1 3.44Å; S1650-L1656 VanDerWaalsContact OG-CD1 3.28Å; S1650-L1656 WeakPolarHBondContact OG-CD1 3.43Å; S1650-K1683 PolarHBondContact O-NZ 3.07Å | ||
| 1651 | E | 87.8 | Confident | 90.4 | Very high | 168.4 Ų | 168.4 | 27.6 Ų | 27.6 | 79% | 0.787 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -90.1 | -19 | 171.3 | -61.2 | -173.5 | 167.3 | 0 | 0 | 111.5 | D1606 E1653 | D1606-E1651 PolarHBondContact OD2-N 3.09Å; E1651-E1653 VanDerWaalsContact C-N 3.34Å; E1651-E1653 PolarHBondContact O-N 3.03Å |
| 1652 | T | 89.2 | Confident | 90.2 | Very high | 26.6 Ų | 26.6 | 26.7 Ų | 26.7 | 16% | 0.163 | 14% | 0.139 | C | C | . | . | trans | -93.9 | 47.5 | -174.5 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | A1604 D1606 S1650 S1654 E1655 L1656 | A1604-T1652 VanDerWaalsContact O-CG2 3.24Å; A1604-T1652 WeakPolarHBondContact O-CG2 3.36Å; D1606-T1652 HydrophobicContact CB-CG2 4.34Å; D1606-T1652 PolarHBondContact N-OG1 3.13Å; D1606-T1652 PolarHBondContact OD1-OG1 3.12Å; S1650-T1652 PolarHBondContact OG-N 3.19Å; S1650-T1652 VanDerWaalsContact OG-N 3.15Å; S1650-T1652 PolarHBondContact OG-OG1 3.05Å; S1650-T1652 VanDerWaalsContact OG-OG1 3.07Å; T1652-S1654 VanDerWaalsContact C-N 3.32Å; T1652-S1654 PolarHBondContact O-N 3.21Å; T1652-E1655 WeakPolarHBondContact CA-OE2 3.4Å; T1652-E1655 VanDerWaalsContact CB-OE2 3.29Å; T1652-E1655 WeakPolarHBondContact CB-OE2 3.47Å; T1652-E1655 WeakPolarHBondContact CG2-OE2 3.23Å; T1652-E1655 PolarHBondContact O-N 3.1Å; T1652-L1656 WeakPolarHBondContact O-CB 3.24Å; T1652-L1656 WeakPolarHBondContact O-CG 3.3Å; T1652-L1656 PolarHBondContact O-N 3.17Å | ||
| 1653 | E | 89.5 | Confident | 90.1 | Very high | 22.2 Ų | 22.2 | 26.8 Ų | 26.8 | 10% | 0.104 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.3 | -38.5 | -173.1 | -71.5 | 173.3 | -132.9 | 0 | 0 | 114.6 | E1651 L1657 W1681 L1682 K1683 N1684 | E1651-E1653 VanDerWaalsContact C-N 3.34Å; E1651-E1653 PolarHBondContact O-N 3.03Å; E1653-L1657 WeakPolarHBondContact O-CB 3.19Å; E1653-L1657 PolarHBondContact O-N 3Å; E1653-W1681 HydrophobicContact CB-CZ3 4.48Å; E1653-L1682 HydrophobicContact CB-CD1 4.26Å; E1653-K1683 WeakPolarHBondContact OE1-CB 3.3Å; E1653-K1683 WeakPolarHBondContact OE1-CE 3.34Å; E1653-K1683 IonicContact OE1-NZ 3.33Å; E1653-K1683 PolarHBondContact OE2-N 3.04Å; E1653-N1684 PolarHBondContact OE2-N 3.15Å |
| 1654 | S | 88.2 | Confident | 89.9 | Confident | 62 Ų | 62 | 31 Ų | 31 | 43% | 0.434 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.8 | -44.2 | -179.2 | 45.3 | 0 | 0 | 0 | 0 | 112 | T1652 L1657 E1658 | T1652-S1654 VanDerWaalsContact C-N 3.32Å; T1652-S1654 PolarHBondContact O-N 3.21Å; S1654-L1657 PolarHBondContact O-N 3.15Å; S1654-E1658 PolarHBondContact O-N 3.18Å; S1654-E1658 VanDerWaalsContact O-N 3.09Å |
| 1655 | E | 88.6 | Confident | 89.5 | Confident | 79.4 Ų | 79.4 | 38.6 Ų | 38.6 | 37% | 0.371 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.1 | -39.9 | -179.9 | -60.2 | -173.2 | 159.4 | 0 | 0 | 110.6 | A1604 V1605 T1652 L1657 E1658 S1659 | A1604-E1655 VanDerWaalsContact C-OE2 3.31Å; A1604-E1655 VanDerWaalsContact CB-CD 3.48Å; A1604-E1655 HydrophobicContact CB-CG 4.28Å; A1604-E1655 WeakPolarHBondContact CB-OE2 3.47Å; A1604-E1655 VanDerWaalsContact O-OE2 3.04Å; V1605-E1655 HydrophobicContact CG2-CB 4.31Å; V1605-E1655 PolarHBondContact N-OE2 3.47Å; T1652-E1655 WeakPolarHBondContact CA-OE2 3.4Å; T1652-E1655 VanDerWaalsContact CB-OE2 3.29Å; T1652-E1655 WeakPolarHBondContact CB-OE2 3.47Å; T1652-E1655 WeakPolarHBondContact CG2-OE2 3.23Å; T1652-E1655 PolarHBondContact O-N 3.1Å; E1655-L1657 VanDerWaalsContact C-N 3.33Å; E1655-L1657 PolarHBondContact O-N 3.18Å; E1655-E1658 PolarHBondContact O-N 3.02Å; E1655-S1659 VanDerWaalsContact O-CB 3.29Å; E1655-S1659 WeakPolarHBondContact O-CB 3.41Å; E1655-S1659 PolarHBondContact O-N 3.13Å; E1655-S1659 PolarHBondContact O-OG 2.95Å |
| 1656 | L | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 172.5 | -76.3 | -174.7 | 0 | 0 | 0 | 112.2 | V1605 G1609 Y1612 L1613 A1647 S1650 T1652 S1659 L1660 W1681 | V1605-L1656 HydrophobicContact CG1-CD2 3.69Å; V1605-L1656 HydrophobicContact CG1-CG 4.42Å; V1605-L1656 HydrophobicContact CG2-CD2 4.42Å; G1609-L1656 WeakPolarHBondContact O-CD2 3.35Å; Y1612-L1656 HydrophobicContact CD1-CD1 4.49Å; Y1612-L1656 HydrophobicContact CD1-CD2 4.23Å; L1613-L1656 HydrophobicContact CD1-CD2 3.77Å; L1613-L1656 HydrophobicContact CD2-CD2 3.87Å; L1613-L1656 HydrophobicContact CG-CD2 3.55Å; A1647-L1656 HydrophobicContact CB-CD1 4.38Å; S1650-L1656 VanDerWaalsContact CB-CD1 3.44Å; S1650-L1656 VanDerWaalsContact OG-CD1 3.28Å; S1650-L1656 WeakPolarHBondContact OG-CD1 3.43Å; T1652-L1656 WeakPolarHBondContact O-CB 3.24Å; T1652-L1656 WeakPolarHBondContact O-CG 3.3Å; T1652-L1656 PolarHBondContact O-N 3.17Å; L1656-S1659 WeakPolarHBondContact CA-OG 3.12Å; L1656-S1659 PolarHBondContact O-N 2.98Å; L1656-S1659 PolarHBondContact O-OG 3.15Å; L1656-L1660 WeakPolarHBondContact O-CG 3.42Å; L1656-W1681 HydrophobicContact CB-CH2 4.17Å; L1656-W1681 HydrophobicContact CB-CZ3 4.32Å |
| 1657 | L | 90.1 | Very high | 88.7 | Confident | 9.2 Ų | 9.2 | 53.2 Ų | 53.2 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -48.7 | 178.5 | -176.6 | 63.3 | 0 | 0 | 0 | 111.2 | E1653 S1654 E1655 S1659 L1660 M1663 L1673 V1678 W1681 L1682 I1687 C1691 | E1653-L1657 WeakPolarHBondContact O-CB 3.19Å; E1653-L1657 PolarHBondContact O-N 3Å; S1654-L1657 PolarHBondContact O-N 3.15Å; E1655-L1657 VanDerWaalsContact C-N 3.33Å; E1655-L1657 PolarHBondContact O-N 3.18Å; L1657-S1659 VanDerWaalsContact C-N 3.27Å; L1657-S1659 PolarHBondContact O-N 3.09Å; L1657-L1660 HydrophobicContact CD1-CD1 4.15Å; L1657-L1660 WeakPolarHBondContact O-CB 3.38Å; L1657-L1660 WeakPolarHBondContact O-CG 3.35Å; L1657-L1660 PolarHBondContact O-N 3.16Å; L1657-L1660 VanDerWaalsContact O-N 3.13Å; L1657-M1663 HydrophobicContact CD1-CE 4.2Å; L1657-M1663 HydrophobicContact CD1-CG 4.06Å; L1657-M1663 HydrophobicContact CD1-SD 4.23Å; L1657-M1663 HydrophobicContact CD2-SD 4.4Å; L1657-M1663 HydrophobicContact CG-CG 4.18Å; L1657-M1663 HydrophobicContact CG-SD 4.1Å; L1657-M1663 WeakPolarHBondContact O-CB 3.32Å; L1657-M1663 WeakPolarHBondContact O-CG 3.37Å; L1657-L1673 HydrophobicContact CD1-CD2 4.45Å; L1657-V1678 HydrophobicContact CD1-CG1 4.29Å; L1657-W1681 HydrophobicContact CB-CH2 4.21Å; L1657-W1681 HydrophobicContact CD1-CH2 4.41Å; L1657-L1682 HydrophobicContact CD2-CD2 4.42Å; L1657-I1687 HydrophobicContact CD2-CG2 3.68Å; L1657-C1691 HydrophobicContact CD2-CB 4.04Å |
| 1658 | E | 88.8 | Confident | 88.6 | Confident | 89.8 Ų | 89.8 | 53.3 Ų | 53.3 | 42% | 0.42 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.5 | -22.6 | -177 | -163.4 | 62.4 | -147.6 | 0 | 0 | 112.8 | S1654 E1655 L1660 Q1664 K1694 | S1654-E1658 PolarHBondContact O-N 3.18Å; S1654-E1658 VanDerWaalsContact O-N 3.09Å; E1655-E1658 PolarHBondContact O-N 3.02Å; E1658-L1660 VanDerWaalsContact C-N 3.32Å; E1658-L1660 PolarHBondContact O-N 3.31Å; E1658-Q1664 WeakPolarHBondContact O-CG 3.21Å; E1658-K1694 IonicContact OE2-NZ 3.09Å; E1658-K1694 PolarHBondContact OE2-NZ 3.21Å |
| 1659 | S | 86.1 | Confident | 88.5 | Confident | 21.4 Ų | 21.4 | 55.9 Ų | 55.9 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.8 | -16.5 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | L1613 R1617 E1655 L1656 L1657 Q1664 | L1613-S1659 VanDerWaalsContact CD2-OG 3.32Å; L1613-S1659 WeakPolarHBondContact CD2-OG 3.39Å; R1617-S1659 PolarHBondContact NH2-O 3.43Å; E1655-S1659 VanDerWaalsContact O-CB 3.29Å; E1655-S1659 WeakPolarHBondContact O-CB 3.41Å; E1655-S1659 PolarHBondContact O-N 3.13Å; E1655-S1659 PolarHBondContact O-OG 2.95Å; L1656-S1659 WeakPolarHBondContact CA-OG 3.12Å; L1656-S1659 PolarHBondContact O-N 2.98Å; L1656-S1659 PolarHBondContact O-OG 3.15Å; L1657-S1659 VanDerWaalsContact C-N 3.27Å; L1657-S1659 PolarHBondContact O-N 3.09Å; S1659-Q1664 PolarHBondContact O-NE2 3.26Å |
| 1660 | L | 89.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -66.5 | 136.5 | 178.3 | -57.7 | -177.2 | 0 | 0 | 0 | 111.3 | Y1612 L1613 V1616 L1656 L1657 E1658 C1662 M1663 Q1664 L1673 L1676 V1678 W1681 | Y1612-L1660 HydrophobicContact CE1-CD2 4.13Å; L1613-L1660 HydrophobicContact CD2-CD2 4.42Å; V1616-L1660 HydrophobicContact CG1-CD2 4.13Å; V1616-L1660 HydrophobicContact CG2-CD2 4.45Å; L1656-L1660 WeakPolarHBondContact O-CG 3.42Å; L1657-L1660 HydrophobicContact CD1-CD1 4.15Å; L1657-L1660 WeakPolarHBondContact O-CB 3.38Å; L1657-L1660 WeakPolarHBondContact O-CG 3.35Å; L1657-L1660 PolarHBondContact O-N 3.16Å; L1657-L1660 VanDerWaalsContact O-N 3.13Å; E1658-L1660 VanDerWaalsContact C-N 3.32Å; E1658-L1660 PolarHBondContact O-N 3.31Å; L1660-C1662 PolarHBondContact O-N 3.2Å; L1660-C1662 VanDerWaalsContact O-N 3.12Å; L1660-M1663 HydrophobicContact CB-CB 4.49Å; L1660-M1663 HydrophobicContact CB-CG 4.35Å; L1660-M1663 WeakPolarHBondContact O-CA 3.27Å; L1660-M1663 WeakPolarHBondContact O-CB 3.37Å; L1660-M1663 PolarHBondContact O-N 3.01Å; L1660-Q1664 PolarHBondContact O-N 3.29Å; L1660-L1673 HydrophobicContact CD1-CD2 4.04Å; L1660-L1676 HydrophobicContact CD1-CD1 3.97Å; L1660-L1676 HydrophobicContact CD2-CD1 4.17Å; L1660-L1676 HydrophobicContact CG-CD1 4.45Å; L1660-V1678 HydrophobicContact CD1-CG2 3.95Å; L1660-W1681 HydrophobicContact CD1-CZ2 4.37Å |
| 1661 | S | 86.6 | Confident | 88.4 | Confident | 14.4 Ų | 14.4 | 61.3 Ų | 61.3 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -31.2 | -175.3 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | E1620 M1663 Q1664 R1665 | E1620-S1661 VanDerWaalsContact CD-OG 3.25Å; E1620-S1661 WeakPolarHBondContact OE1-CB 3.26Å; E1620-S1661 PolarHBondContact OE1-OG 3.24Å; E1620-S1661 PolarHBondContact OE2-OG 3.25Å; S1661-M1663 VanDerWaalsContact C-N 3.32Å; S1661-M1663 PolarHBondContact O-N 3.16Å; S1661-Q1664 PolarHBondContact O-N 3.31Å; S1661-R1665 WeakPolarHBondContact O-CB 3.42Å; S1661-R1665 VanDerWaalsContact O-CG 3.24Å; S1661-R1665 WeakPolarHBondContact O-CG 3.24Å; S1661-R1665 PolarHBondContact O-N 3.18Å; S1661-R1665 PolarHBondContact OG-NH1 2.85Å |
| 1662 | C | 86.1 | Confident | 88.5 | Confident | 2.6 Ų | 2.6 | 56.9 Ų | 56.9 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.3 | -30.9 | 175.8 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | L1660 K1667 E1672 L1673 | L1660-C1662 PolarHBondContact O-N 3.2Å; L1660-C1662 VanDerWaalsContact O-N 3.12Å; C1662-K1667 PolarHBondContact O-N 3.23Å; C1662-E1672 HydrophobicContact CB-CB 4.48Å; C1662-E1672 VanDerWaalsContact CB-OE2 3.27Å; C1662-E1672 WeakPolarHBondContact CB-OE2 3.19Å; C1662-L1673 VanDerWaalsContact SG-CD2 3.59Å |
| 1663 | M | 87.7 | Confident | 88.7 | Confident | 3.4 Ų | 3.4 | 55.6 Ų | 55.6 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.2 | -45.6 | 173.6 | -70.1 | -65.8 | 133.2 | 0 | 0 | 110.9 | L1657 L1660 S1661 R1665 K1666 P1668 L1673 K1694 | L1657-M1663 HydrophobicContact CD1-CE 4.2Å; L1657-M1663 HydrophobicContact CD1-CG 4.06Å; L1657-M1663 HydrophobicContact CD1-SD 4.23Å; L1657-M1663 HydrophobicContact CD2-SD 4.4Å; L1657-M1663 HydrophobicContact CG-CG 4.18Å; L1657-M1663 HydrophobicContact CG-SD 4.1Å; L1657-M1663 WeakPolarHBondContact O-CB 3.32Å; L1657-M1663 WeakPolarHBondContact O-CG 3.37Å; L1660-M1663 HydrophobicContact CB-CB 4.49Å; L1660-M1663 HydrophobicContact CB-CG 4.35Å; L1660-M1663 WeakPolarHBondContact O-CA 3.27Å; L1660-M1663 WeakPolarHBondContact O-CB 3.37Å; L1660-M1663 PolarHBondContact O-N 3.01Å; S1661-M1663 VanDerWaalsContact C-N 3.32Å; S1661-M1663 PolarHBondContact O-N 3.16Å; M1663-R1665 VanDerWaalsContact C-N 3.3Å; M1663-R1665 PolarHBondContact O-N 3.18Å; M1663-K1666 WeakPolarHBondContact O-CA 3.4Å; M1663-K1666 PolarHBondContact O-N 3.19Å; M1663-P1668 HydrophobicContact CE-CB 3.26Å; M1663-P1668 HydrophobicContact CE-CG 3.83Å; M1663-P1668 VanDerWaalsContact CE-CG 3.46Å; M1663-P1668 HydrophobicContact SD-CB 4.05Å; M1663-P1668 HydrophobicContact SD-CG 4.27Å; M1663-L1673 HydrophobicContact CE-CD1 3.75Å; M1663-L1673 HydrophobicContact CE-CD2 3.77Å; M1663-L1673 VanDerWaalsContact CE-CD2 3.5Å; M1663-L1673 HydrophobicContact CE-CG 4.16Å; M1663-K1694 HydrophobicContact SD-CD 4.12Å |
| 1664 | Q | 86.2 | Confident | 88.8 | Confident | 113.8 Ų | 113.8 | 58.2 Ų | 58.2 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 177.5 | -65.8 | -177.2 | -21.9 | 0 | 0 | 112.6 | E1658 S1659 L1660 S1661 K1666 | E1658-Q1664 WeakPolarHBondContact O-CG 3.21Å; S1659-Q1664 PolarHBondContact O-NE2 3.26Å; L1660-Q1664 PolarHBondContact O-N 3.29Å; S1661-Q1664 PolarHBondContact O-N 3.31Å; Q1664-K1666 PolarHBondContact O-N 3.04Å |
| 1665 | R | 85.3 | Confident | 89 | Confident | 165.2 Ų | 165.2 | 56.2 Ų | 56.2 | 62% | 0.623 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -4.9 | 175.5 | -69.1 | 174.1 | -166.4 | 142.6 | 9.5 | 114 | S1661 M1663 K1667 | S1661-R1665 WeakPolarHBondContact O-CB 3.42Å; S1661-R1665 VanDerWaalsContact O-CG 3.24Å; S1661-R1665 WeakPolarHBondContact O-CG 3.24Å; S1661-R1665 PolarHBondContact O-N 3.18Å; S1661-R1665 PolarHBondContact OG-NH1 2.85Å; M1663-R1665 VanDerWaalsContact C-N 3.3Å; M1663-R1665 PolarHBondContact O-N 3.18Å; R1665-K1667 PolarHBondContact O-N 3.25Å; R1665-K1667 VanDerWaalsContact O-N 3.09Å |
| 1666 | K | 83.8 | Confident | 89.2 | Confident | 173.6 Ų | 173.6 | 52.8 Ų | 52.8 | 76% | 0.755 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 24.5 | -176.1 | -59.5 | -179.4 | -179.4 | 175.2 | 0 | 114.3 | M1663 Q1664 P1668 | M1663-K1666 WeakPolarHBondContact O-CA 3.4Å; M1663-K1666 PolarHBondContact O-N 3.19Å; Q1664-K1666 PolarHBondContact O-N 3.04Å; K1666-P1668 VanDerWaalsContact C-CD 3.44Å |
| 1667 | K | 88.5 | Confident | 89.2 | Confident | 150.4 Ų | 150.4 | 52.9 Ų | 52.9 | 65% | 0.654 | 25% | 0.246 | S | C | * | . | trans | -131.2 | 61.6 | 178.1 | -68.9 | -176.4 | -179.5 | 179.6 | 0 | 111 | C1662 R1665 S1698 | C1662-K1667 PolarHBondContact O-N 3.23Å; R1665-K1667 PolarHBondContact O-N 3.25Å; R1665-K1667 VanDerWaalsContact O-N 3.09Å; K1667-S1698 WeakPolarHBondContact CA-OG 3.41Å | ||
| 1668 | P | 91.1 | Very high | 89.3 | Confident | 2.8 Ų | 2.8 | 52.6 Ų | 52.6 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | trans | -72.4 | 140.3 | -178.6 | 29.1 | -34.5 | 0 | 0 | 0 | 112.2 | M1663 K1666 L1673 K1694 I1695 S1698 | M1663-P1668 HydrophobicContact CE-CB 3.26Å; M1663-P1668 HydrophobicContact CE-CG 3.83Å; M1663-P1668 VanDerWaalsContact CE-CG 3.46Å; M1663-P1668 HydrophobicContact SD-CB 4.05Å; M1663-P1668 HydrophobicContact SD-CG 4.27Å; K1666-P1668 VanDerWaalsContact C-CD 3.44Å; P1668-L1673 HydrophobicContact CB-CD1 4.27Å; P1668-K1694 HydrophobicContact CG-CB 3.92Å; P1668-I1695 HydrophobicContact CB-CG1 4.2Å; P1668-I1695 HydrophobicContact CG-CG1 4.27Å; P1668-S1698 VanDerWaalsContact O-CB 3.23Å; P1668-S1698 WeakPolarHBondContact O-CB 3.4Å; P1668-S1698 PolarHBondContact O-OG 3.13Å | ||
| 1669 | T | 90.6 | Very high | 89.4 | Confident | 56.4 Ų | 56.4 | 48.3 Ų | 48.3 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | trans | -115.8 | 147.4 | 169.5 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | D1671 E1672 L1673 | T1669-D1671 VanDerWaalsContact C-N 3.29Å; T1669-D1671 PolarHBondContact O-N 3.14Å; T1669-E1672 PolarHBondContact O-N 3.17Å; T1669-E1672 WeakPolarHBondContact OG1-CB 3.36Å; T1669-E1672 VanDerWaalsContact OG1-CD 3.32Å; T1669-E1672 WeakPolarHBondContact OG1-CG 3.38Å; T1669-E1672 PolarHBondContact OG1-N 3.23Å; T1669-E1672 PolarHBondContact OG1-OE2 3.17Å; T1669-L1673 WeakPolarHBondContact O-CG 3.3Å; T1669-L1673 PolarHBondContact O-N 3.02Å | ||
| 1670 | W | 92.5 | Very high | 89.6 | Confident | 14.4 Ų | 14.4 | 48.3 Ų | 48.3 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 178.2 | 176.1 | -112.2 | 0 | 0 | 0 | 111.4 | E1672 L1673 R1674 F1692 I1695 F1712 D1790 Q1792 L1793 V1796 | W1670-E1672 VanDerWaalsContact C-N 3.33Å; W1670-E1672 PolarHBondContact O-N 2.94Å; W1670-L1673 HydrophobicContact CE3-CB 4.43Å; W1670-L1673 PolarHBondContact O-N 3.2Å; W1670-L1673 VanDerWaalsContact O-N 3.14Å; W1670-R1674 HydrophobicContact CZ2-CB 4.44Å; W1670-R1674 VanDerWaalsContact O-CB 3.25Å; W1670-R1674 WeakPolarHBondContact O-CB 3.37Å; W1670-R1674 PolarHBondContact O-N 3.04Å; W1670-F1692 AromaticContact CE3-CE2 3.98Å; W1670-F1692 HydrophobicContact CE3-CE2 3.98Å; W1670-F1692 AromaticContact CE3-CZ 3.88Å; W1670-F1692 HydrophobicContact CE3-CZ 3.88Å; W1670-F1692 HydrophobicContact CH2-CE2 4.39Å; W1670-F1692 HydrophobicContact CH2-CZ 4.16Å; W1670-F1692 AromaticContact CZ3-CE2 3.59Å; W1670-F1692 HydrophobicContact CZ3-CE2 3.59Å; W1670-F1692 AromaticContact CZ3-CZ 3.64Å; W1670-F1692 HydrophobicContact CZ3-CZ 3.64Å; W1670-I1695 HydrophobicContact CB-CG2 4.4Å; W1670-I1695 HydrophobicContact CE3-CD1 4.07Å; W1670-F1712 HydrophobicContact CB-CE1 3.96Å; W1670-F1712 HydrophobicContact CB-CZ 3.94Å; W1670-F1712 HydrophobicContact CG-CE1 4.26Å; W1670-D1790 PolarHBondContact NE1-OD2 3.11Å; W1670-Q1792 HydrophobicContact CH2-CB 4.49Å; W1670-Q1792 HydrophobicContact CZ2-CB 4.14Å; W1670-L1793 HydrophobicContact CD2-CD1 4.48Å; W1670-L1793 HydrophobicContact CZ2-CB 3.79Å; W1670-L1793 HydrophobicContact CZ2-CD1 4.05Å; W1670-V1796 HydrophobicContact CH2-CG2 4.03Å |
| 1671 | D | 90 | Very high | 89.8 | Confident | 109.8 Ų | 109.8 | 48.3 Ų | 48.3 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.9 | -42.3 | 178.2 | -63.6 | -31.6 | 0 | 0 | 0 | 112.6 | T1669 S1675 | T1669-D1671 VanDerWaalsContact C-N 3.29Å; T1669-D1671 PolarHBondContact O-N 3.14Å; D1671-S1675 WeakPolarHBondContact O-CB 3.37Å; D1671-S1675 PolarHBondContact O-N 3.25Å; D1671-S1675 PolarHBondContact O-OG 3.41Å |
| 1672 | E | 90.7 | Very high | 90.1 | Very high | 75.8 Ų | 75.8 | 47.6 Ų | 47.6 | 35% | 0.354 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 175.6 | -75.4 | 176.3 | 172.5 | 0 | 0 | 111.4 | C1662 T1669 W1670 R1674 S1675 L1676 | C1662-E1672 HydrophobicContact CB-CB 4.48Å; C1662-E1672 VanDerWaalsContact CB-OE2 3.27Å; C1662-E1672 WeakPolarHBondContact CB-OE2 3.19Å; T1669-E1672 PolarHBondContact O-N 3.17Å; T1669-E1672 WeakPolarHBondContact OG1-CB 3.36Å; T1669-E1672 VanDerWaalsContact OG1-CD 3.32Å; T1669-E1672 WeakPolarHBondContact OG1-CG 3.38Å; T1669-E1672 PolarHBondContact OG1-N 3.23Å; T1669-E1672 PolarHBondContact OG1-OE2 3.17Å; W1670-E1672 VanDerWaalsContact C-N 3.33Å; W1670-E1672 PolarHBondContact O-N 2.94Å; E1672-R1674 VanDerWaalsContact C-N 3.35Å; E1672-R1674 PolarHBondContact O-N 3.33Å; E1672-S1675 WeakPolarHBondContact O-CB 3.47Å; E1672-S1675 PolarHBondContact O-N 3.08Å; E1672-S1675 PolarHBondContact O-OG 3.12Å; E1672-L1676 WeakPolarHBondContact O-CG 3.31Å; E1672-L1676 PolarHBondContact O-N 3.1Å; E1672-L1676 VanDerWaalsContact O-N 3.12Å |
| 1673 | L | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.7 | -36.6 | 179.5 | -68.4 | 169.4 | 0 | 0 | 0 | 112.6 | L1657 L1660 C1662 M1663 P1668 T1669 W1670 S1675 L1676 G1677 V1678 I1695 | L1657-L1673 HydrophobicContact CD1-CD2 4.45Å; L1660-L1673 HydrophobicContact CD1-CD2 4.04Å; C1662-L1673 VanDerWaalsContact SG-CD2 3.59Å; M1663-L1673 HydrophobicContact CE-CD1 3.75Å; M1663-L1673 HydrophobicContact CE-CD2 3.77Å; M1663-L1673 VanDerWaalsContact CE-CD2 3.5Å; M1663-L1673 HydrophobicContact CE-CG 4.16Å; P1668-L1673 HydrophobicContact CB-CD1 4.27Å; T1669-L1673 WeakPolarHBondContact O-CG 3.3Å; T1669-L1673 PolarHBondContact O-N 3.02Å; W1670-L1673 HydrophobicContact CE3-CB 4.43Å; W1670-L1673 PolarHBondContact O-N 3.2Å; W1670-L1673 VanDerWaalsContact O-N 3.14Å; L1673-S1675 VanDerWaalsContact C-N 3.33Å; L1673-L1676 CarbonylContact O-C 3.53Å; L1673-L1676 PolarHBondContact O-N 3.05Å; L1673-G1677 PolarHBondContact O-N 3.22Å; L1673-G1677 VanDerWaalsContact O-N 3.17Å; L1673-V1678 HydrophobicContact CB-CB 4.16Å; L1673-V1678 HydrophobicContact CB-CG2 4.06Å; L1673-V1678 HydrophobicContact CD2-CB 4.38Å; L1673-V1678 HydrophobicContact CD2-CG2 3.72Å; L1673-V1678 HydrophobicContact CG-CG2 4.49Å; L1673-V1678 WeakPolarHBondContact O-CB 3.39Å; L1673-V1678 VanDerWaalsContact O-CG2 3.29Å; L1673-V1678 WeakPolarHBondContact O-CG2 3.35Å; L1673-V1678 PolarHBondContact O-N 3.21Å; L1673-I1695 HydrophobicContact CD1-CD1 3.4Å; L1673-I1695 VanDerWaalsContact CD1-CD1 3.42Å; L1673-I1695 HydrophobicContact CD1-CG1 3.75Å |
| 1674 | R | 92.6 | Very high | 90.3 | Very high | 77.2 Ų | 77.2 | 54 Ų | 54 | 29% | 0.291 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 171.4 | 178.7 | -169.2 | 171.5 | 159.1 | -0.5 | 110.4 | W1670 E1672 L1676 G1677 N1789 D1790 Q1792 | W1670-R1674 HydrophobicContact CZ2-CB 4.44Å; W1670-R1674 VanDerWaalsContact O-CB 3.25Å; W1670-R1674 WeakPolarHBondContact O-CB 3.37Å; W1670-R1674 PolarHBondContact O-N 3.04Å; E1672-R1674 VanDerWaalsContact C-N 3.35Å; E1672-R1674 PolarHBondContact O-N 3.33Å; R1674-L1676 PolarHBondContact O-N 2.95Å; R1674-G1677 PolarHBondContact O-N 2.9Å; R1674-N1789 PolarHBondContact NH2-O 3.08Å; R1674-D1790 WeakPolarHBondContact CD-OD2 3.4Å; R1674-D1790 VanDerWaalsContact CZ-CG 3.42Å; R1674-D1790 IonicContact CZ-OD1 3.22Å; R1674-D1790 IonicContact CZ-OD2 3.66Å; R1674-D1790 IonicContact NE-OD1 3.11Å; R1674-D1790 IonicContact NE-OD2 3.06Å; R1674-D1790 IonicContact NH1-OD1 3.34Å; R1674-D1790 IonicContact NH1-OD2 3.56Å; R1674-D1790 PolarHBondContact NH1-OD2 3.2Å; R1674-Q1792 PolarHBondContact O-NE2 3.23Å |
| 1675 | S | 91.2 | Very high | 90.4 | Very high | 20.6 Ų | 20.6 | 50.4 Ų | 50.4 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -27.3 | 178.4 | 78 | 0 | 0 | 0 | 0 | 112.4 | G1638 L1639 D1671 E1672 L1673 G1677 | G1638-S1675 CarbonylContact C-O 3.48Å; G1638-S1675 WeakPolarHBondContact CA-O 3.28Å; L1639-S1675 WeakPolarHBondContact CB-O 3.36Å; L1639-S1675 PolarHBondContact N-O 3.04Å; D1671-S1675 WeakPolarHBondContact O-CB 3.37Å; D1671-S1675 PolarHBondContact O-N 3.25Å; D1671-S1675 PolarHBondContact O-OG 3.41Å; E1672-S1675 WeakPolarHBondContact O-CB 3.47Å; E1672-S1675 PolarHBondContact O-N 3.08Å; E1672-S1675 PolarHBondContact O-OG 3.12Å; L1673-S1675 VanDerWaalsContact C-N 3.33Å; S1675-G1677 VanDerWaalsContact C-N 3.34Å |
| 1676 | L | 92.7 | Very high | 90.6 | Very high | 7.2 Ų | 7.2 | 49.2 Ų | 49.2 | 4% | 0.038 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 0.8 | 175 | -62.6 | 174.5 | 0 | 0 | 0 | 113.6 | Y1612 V1616 Y1619 L1660 E1672 L1673 R1674 V1678 W1681 | Y1612-L1676 PolarHBondContact OH-O 3.14Å; Y1612-L1676 VanDerWaalsContact OH-O 3.07Å; V1616-L1676 HydrophobicContact CG1-CD2 4Å; V1616-L1676 HydrophobicContact CG2-CD2 4.14Å; Y1619-L1676 HydrophobicContact CD1-CD2 4.21Å; Y1619-L1676 HydrophobicContact CE1-CD2 4.34Å; L1660-L1676 HydrophobicContact CD1-CD1 3.97Å; L1660-L1676 HydrophobicContact CD2-CD1 4.17Å; L1660-L1676 HydrophobicContact CG-CD1 4.45Å; E1672-L1676 WeakPolarHBondContact O-CG 3.31Å; E1672-L1676 PolarHBondContact O-N 3.1Å; E1672-L1676 VanDerWaalsContact O-N 3.12Å; L1673-L1676 CarbonylContact O-C 3.53Å; L1673-L1676 PolarHBondContact O-N 3.05Å; R1674-L1676 PolarHBondContact O-N 2.95Å; L1676-V1678 VanDerWaalsContact C-N 3.34Å; L1676-V1678 HydrophobicContact CB-CG2 4.21Å; L1676-V1678 PolarHBondContact O-N 3.38Å; L1676-W1681 PolarHBondContact O-NE1 3.22Å |
| 1677 | G | 92 | Very high | 91 | Very high | 1.8 Ų | 1.8 | 42.7 Ų | 42.7 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 18.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1673 R1674 S1675 G1679 W1680 W1681 Q1792 | L1673-G1677 PolarHBondContact O-N 3.22Å; L1673-G1677 VanDerWaalsContact O-N 3.17Å; R1674-G1677 PolarHBondContact O-N 2.9Å; S1675-G1677 VanDerWaalsContact C-N 3.34Å; G1677-G1679 PolarHBondContact O-N 2.99Å; G1677-G1679 VanDerWaalsContact O-N 3.16Å; G1677-W1680 WeakPolarHBondContact O-CB 3.4Å; G1677-W1680 PolarHBondContact O-N 3.12Å; G1677-W1681 VanDerWaalsContact C-CD1 3.49Å; G1677-W1681 PolarHBondContact O-N 2.99Å; G1677-W1681 PolarHBondContact O-NE1 3.08Å; G1677-Q1792 VanDerWaalsContact C-OE1 3.29Å |
| 1678 | V | 92.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -30.7 | -175.8 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | L1657 L1660 L1673 L1676 W1680 W1681 L1682 | L1657-V1678 HydrophobicContact CD1-CG1 4.29Å; L1660-V1678 HydrophobicContact CD1-CG2 3.95Å; L1673-V1678 HydrophobicContact CB-CB 4.16Å; L1673-V1678 HydrophobicContact CB-CG2 4.06Å; L1673-V1678 HydrophobicContact CD2-CB 4.38Å; L1673-V1678 HydrophobicContact CD2-CG2 3.72Å; L1673-V1678 HydrophobicContact CG-CG2 4.49Å; L1673-V1678 WeakPolarHBondContact O-CB 3.39Å; L1673-V1678 VanDerWaalsContact O-CG2 3.29Å; L1673-V1678 WeakPolarHBondContact O-CG2 3.35Å; L1673-V1678 PolarHBondContact O-N 3.21Å; L1676-V1678 VanDerWaalsContact C-N 3.34Å; L1676-V1678 HydrophobicContact CB-CG2 4.21Å; L1676-V1678 PolarHBondContact O-N 3.38Å; V1678-W1680 PolarHBondContact O-N 3.09Å; V1678-W1681 HydrophobicContact CB-CZ2 4.21Å; V1678-W1681 HydrophobicContact CG1-CH2 4.43Å; V1678-W1681 HydrophobicContact CG1-CZ2 4.15Å; V1678-W1681 HydrophobicContact CG2-CH2 4.49Å; V1678-W1681 HydrophobicContact CG2-CZ2 3.65Å; V1678-L1682 HydrophobicContact CG1-CB 4.18Å; V1678-L1682 HydrophobicContact CG1-CD2 4.05Å; V1678-L1682 VanDerWaalsContact O-CB 3.29Å; V1678-L1682 WeakPolarHBondContact O-CB 3.33Å; V1678-L1682 PolarHBondContact O-N 3.32Å |
| 1679 | G | 89.7 | Confident | 91.1 | Very high | 0.6 Ų | 0.6 | 40.2 Ų | 40.2 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -25.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1677 Q1792 | G1677-G1679 PolarHBondContact O-N 2.99Å; G1677-G1679 VanDerWaalsContact O-N 3.16Å; G1679-Q1792 VanDerWaalsContact N-OE1 3.11Å |
| 1680 | W | 91.4 | Very high | 91.2 | Very high | 22.2 Ų | 22.2 | 41.1 Ų | 41.1 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -84.6 | -40.8 | 179.5 | -68.2 | 122 | 0 | 0 | 0 | 113.5 | V1644 G1677 V1678 I1791 Q1792 V1795 L1816 V1820 L1843 I1846 Y1850 | V1644-W1680 HydrophobicContact CG1-CB 4.05Å; G1677-W1680 WeakPolarHBondContact O-CB 3.4Å; G1677-W1680 PolarHBondContact O-N 3.12Å; V1678-W1680 PolarHBondContact O-N 3.09Å; W1680-I1791 HydrophobicContact CH2-CG2 3.67Å; W1680-I1791 HydrophobicContact CZ2-CB 4.37Å; W1680-I1791 HydrophobicContact CZ2-CG2 3.99Å; W1680-Q1792 VanDerWaalsContact CD1-CD 3.47Å; W1680-Q1792 HydrophobicContact CD2-CG 4.15Å; W1680-Q1792 HydrophobicContact CG-CG 4.14Å; W1680-Q1792 HydrophobicContact CZ2-CG 4.16Å; W1680-Q1792 VanDerWaalsContact NE1-CG 3.26Å; W1680-V1795 HydrophobicContact CH2-CG2 4.48Å; W1680-V1795 HydrophobicContact CZ3-CG2 4.25Å; W1680-L1816 HydrophobicContact CH2-CD2 4.29Å; W1680-L1816 HydrophobicContact CZ3-CD2 3.93Å; W1680-V1820 HydrophobicContact CH2-CG2 4.18Å; W1680-L1843 HydrophobicContact CD2-CD1 4.35Å; W1680-L1843 HydrophobicContact CH2-CD1 4.03Å; W1680-L1843 HydrophobicContact CZ2-CD1 3.67Å; W1680-L1843 HydrophobicContact CZ3-CD1 4.48Å; W1680-I1846 HydrophobicContact CB-CG2 4.46Å; W1680-I1846 HydrophobicContact CD2-CG2 4.38Å; W1680-I1846 HydrophobicContact CE3-CG2 3.87Å; W1680-I1846 HydrophobicContact CZ3-CG2 4.49Å; W1680-Y1850 VanDerWaalsContact O-CE2 3.25Å; W1680-Y1850 WeakPolarHBondContact O-CE2 3.33Å; W1680-Y1850 VanDerWaalsContact O-CZ 3.3Å; W1680-Y1850 PolarHBondContact O-OH 2.95Å |
| 1681 | W | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -102.1 | -18.9 | -169.4 | 59.5 | -105.9 | 0 | 0 | 0 | 115.4 | Y1612 A1647 L1648 E1653 L1656 L1657 L1660 L1676 G1677 V1678 K1683 | Y1612-W1681 HydrophobicContact CE1-CZ2 4.25Å; Y1612-W1681 AromaticContact CE2-NE1 3.97Å; Y1612-W1681 AromaticContact CZ-NE1 3.63Å; Y1612-W1681 PolarHBondContact OH-NE1 3.1Å; A1647-W1681 HydrophobicContact CB-CB 3.69Å; A1647-W1681 HydrophobicContact CB-CD2 3.66Å; A1647-W1681 HydrophobicContact CB-CE3 4.29Å; A1647-W1681 HydrophobicContact CB-CG 3.37Å; L1648-W1681 HydrophobicContact CB-CB 4.04Å; L1648-W1681 VanDerWaalsContact N-CB 3.3Å; E1653-W1681 HydrophobicContact CB-CZ3 4.48Å; L1656-W1681 HydrophobicContact CB-CH2 4.17Å; L1656-W1681 HydrophobicContact CB-CZ3 4.32Å; L1657-W1681 HydrophobicContact CB-CH2 4.21Å; L1657-W1681 HydrophobicContact CD1-CH2 4.41Å; L1660-W1681 HydrophobicContact CD1-CZ2 4.37Å; L1676-W1681 PolarHBondContact O-NE1 3.22Å; G1677-W1681 VanDerWaalsContact C-CD1 3.49Å; G1677-W1681 PolarHBondContact O-N 2.99Å; G1677-W1681 PolarHBondContact O-NE1 3.08Å; V1678-W1681 HydrophobicContact CB-CZ2 4.21Å; V1678-W1681 HydrophobicContact CG1-CH2 4.43Å; V1678-W1681 HydrophobicContact CG1-CZ2 4.15Å; V1678-W1681 HydrophobicContact CG2-CH2 4.49Å; V1678-W1681 HydrophobicContact CG2-CZ2 3.65Å; W1681-K1683 PolarHBondContact O-N 3.32Å; W1681-K1683 VanDerWaalsContact O-N 3.08Å |
| 1682 | L | 92.3 | Very high | 91.3 | Very high | 0.4 Ų | 0.4 | 35.4 Ų | 35.4 | 0% | 0.002 | 17% | 0.17 | C | C | . | . | trans | -75.2 | 101.4 | -178.1 | -172.5 | 58.7 | 0 | 0 | 0 | 110.3 | E1653 L1657 V1678 I1687 L1688 C1691 R1799 | E1653-L1682 HydrophobicContact CB-CD1 4.26Å; L1657-L1682 HydrophobicContact CD2-CD2 4.42Å; V1678-L1682 HydrophobicContact CG1-CB 4.18Å; V1678-L1682 HydrophobicContact CG1-CD2 4.05Å; V1678-L1682 VanDerWaalsContact O-CB 3.29Å; V1678-L1682 WeakPolarHBondContact O-CB 3.33Å; V1678-L1682 PolarHBondContact O-N 3.32Å; L1682-I1687 HydrophobicContact CD1-CB 4.22Å; L1682-I1687 HydrophobicContact CD1-CG2 3.87Å; L1682-I1687 HydrophobicContact CD2-CG2 4.45Å; L1682-L1688 HydrophobicContact CD2-CB 3.94Å; L1682-L1688 HydrophobicContact CD2-CD1 3.72Å; L1682-L1688 HydrophobicContact CD2-CG 4.44Å; L1682-L1688 HydrophobicContact CG-CB 4.3Å; L1682-L1688 HydrophobicContact CG-CD1 4.42Å; L1682-C1691 HydrophobicContact CD2-CB 4.48Å; L1682-R1799 VanDerWaalsContact O-CZ 3.24Å; L1682-R1799 PolarHBondContact O-NH1 3.28Å; L1682-R1799 PolarHBondContact O-NH2 3.19Å | ||
| 1683 | K | 88.2 | Confident | 91.4 | Very high | 75 Ų | 75 | 34 Ų | 34 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | trans | -87.1 | -34.1 | -173 | -61.6 | 166.4 | -63.3 | -157.2 | 0 | 111.6 | L1648 S1650 E1653 W1681 V1685 R1799 | L1648-K1683 HydrophobicContact CD1-CD 4.25Å; L1648-K1683 HydrophobicContact CD1-CG 4.3Å; L1648-K1683 PolarHBondContact O-NZ 3.25Å; S1650-K1683 PolarHBondContact O-NZ 3.07Å; E1653-K1683 WeakPolarHBondContact OE1-CB 3.3Å; E1653-K1683 WeakPolarHBondContact OE1-CE 3.34Å; E1653-K1683 IonicContact OE1-NZ 3.33Å; E1653-K1683 PolarHBondContact OE2-N 3.04Å; W1681-K1683 PolarHBondContact O-N 3.32Å; W1681-K1683 VanDerWaalsContact O-N 3.08Å; K1683-V1685 PolarHBondContact O-N 3.28Å; K1683-R1799 VanDerWaalsContact CA-NH2 3.32Å; K1683-R1799 PolarHBondContact O-NH2 3.13Å | ||
| 1684 | N | 89.1 | Confident | 91.4 | Very high | 63.8 Ų | 63.8 | 37.6 Ų | 37.6 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | trans | -77 | 114.8 | -178.3 | -170.6 | -26.9 | 0 | 0 | 0 | 112.9 | E1653 Q1686 I1687 L1688 | E1653-N1684 PolarHBondContact OE2-N 3.15Å; N1684-Q1686 VanDerWaalsContact C-N 3.28Å; N1684-Q1686 PolarHBondContact O-N 3.16Å; N1684-Q1686 WeakPolarHBondContact OD1-CB 3.24Å; N1684-Q1686 PolarHBondContact OD1-N 3.2Å; N1684-I1687 HydrophobicContact CB-CB 4.23Å; N1684-I1687 HydrophobicContact CB-CD1 3.83Å; N1684-I1687 HydrophobicContact CB-CG1 3.95Å; N1684-I1687 PolarHBondContact O-N 3.2Å; N1684-L1688 WeakPolarHBondContact O-CB 3.39Å; N1684-L1688 PolarHBondContact O-N 3.24Å | ||
| 1685 | V | 87.6 | Confident | 91.5 | Very high | 39.2 Ų | 39.2 | 34 Ų | 34 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -29.8 | -178.6 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | K1683 L1688 R1689 L1800 | K1683-V1685 PolarHBondContact O-N 3.28Å; V1685-L1688 PolarHBondContact O-N 3.26Å; V1685-R1689 VanDerWaalsContact CG1-CZ 3.43Å; V1685-R1689 VanDerWaalsContact CG1-NH1 3.32Å; V1685-R1689 VanDerWaalsContact O-CG 3.31Å; V1685-R1689 WeakPolarHBondContact O-CG 3.35Å; V1685-R1689 PolarHBondContact O-N 3.06Å; V1685-L1800 HydrophobicContact CG1-CD2 4.06Å |
| 1686 | Q | 90.3 | Very high | 91.5 | Very high | 139.2 Ų | 139.2 | 33 Ų | 33 | 65% | 0.65 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -70.2 | -43.9 | 177.8 | -62.3 | -179.7 | -10.6 | 0 | 0 | 111.6 | N1684 L1688 R1689 T1690 | N1684-Q1686 VanDerWaalsContact C-N 3.28Å; N1684-Q1686 PolarHBondContact O-N 3.16Å; N1684-Q1686 WeakPolarHBondContact OD1-CB 3.24Å; N1684-Q1686 PolarHBondContact OD1-N 3.2Å; Q1686-L1688 VanDerWaalsContact C-N 3.31Å; Q1686-L1688 PolarHBondContact O-N 3.23Å; Q1686-R1689 WeakPolarHBondContact O-CB 3.31Å; Q1686-R1689 PolarHBondContact O-N 3.08Å; Q1686-T1690 PolarHBondContact O-N 3.23Å; Q1686-T1690 VanDerWaalsContact O-N 3.09Å; Q1686-T1690 PolarHBondContact O-OG1 3.18Å |
| 1687 | I | 91.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.195 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.3 | -56.9 | 178.2 | 0 | 0 | 0 | 109.5 | L1657 L1682 N1684 R1689 T1690 C1691 | L1657-I1687 HydrophobicContact CD2-CG2 3.68Å; L1682-I1687 HydrophobicContact CD1-CB 4.22Å; L1682-I1687 HydrophobicContact CD1-CG2 3.87Å; L1682-I1687 HydrophobicContact CD2-CG2 4.45Å; N1684-I1687 HydrophobicContact CB-CB 4.23Å; N1684-I1687 HydrophobicContact CB-CD1 3.83Å; N1684-I1687 HydrophobicContact CB-CG1 3.95Å; N1684-I1687 PolarHBondContact O-N 3.2Å; I1687-R1689 PolarHBondContact O-N 3.21Å; I1687-T1690 WeakPolarHBondContact O-CB 3.41Å; I1687-T1690 PolarHBondContact O-N 3.2Å; I1687-T1690 VanDerWaalsContact O-N 3.15Å; I1687-C1691 WeakPolarHBondContact O-CB 3.34Å; I1687-C1691 PolarHBondContact O-N 3.08Å |
| 1688 | L | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 175.7 | -176 | 62.7 | 0 | 0 | 0 | 112.8 | L1682 N1684 V1685 Q1686 T1690 C1691 F1692 V1796 L1800 | L1682-L1688 HydrophobicContact CD2-CB 3.94Å; L1682-L1688 HydrophobicContact CD2-CD1 3.72Å; L1682-L1688 HydrophobicContact CD2-CG 4.44Å; L1682-L1688 HydrophobicContact CG-CB 4.3Å; L1682-L1688 HydrophobicContact CG-CD1 4.42Å; N1684-L1688 WeakPolarHBondContact O-CB 3.39Å; N1684-L1688 PolarHBondContact O-N 3.24Å; V1685-L1688 PolarHBondContact O-N 3.26Å; Q1686-L1688 VanDerWaalsContact C-N 3.31Å; Q1686-L1688 PolarHBondContact O-N 3.23Å; L1688-T1690 VanDerWaalsContact C-N 3.34Å; L1688-T1690 PolarHBondContact O-N 3Å; L1688-C1691 WeakPolarHBondContact O-CB 3.38Å; L1688-C1691 PolarHBondContact O-N 2.99Å; L1688-F1692 HydrophobicContact CD1-CD2 4Å; L1688-F1692 HydrophobicContact CD1-CE2 3.92Å; L1688-F1692 PolarHBondContact O-N 3.21Å; L1688-V1796 HydrophobicContact CD1-CG1 3.96Å; L1688-V1796 HydrophobicContact CD1-CG2 4.26Å; L1688-V1796 HydrophobicContact CD2-CG1 4Å; L1688-V1796 HydrophobicContact CD2-CG2 4.5Å; L1688-V1796 HydrophobicContact CG-CG1 4.23Å; L1688-L1800 HydrophobicContact CB-CD2 4.43Å; L1688-L1800 HydrophobicContact CD2-CD1 4.48Å; L1688-L1800 HydrophobicContact CD2-CD2 3.95Å; L1688-L1800 HydrophobicContact CD2-CG 4Å; L1688-L1800 HydrophobicContact CG-CD1 4.28Å; L1688-L1800 HydrophobicContact CG-CD2 3.95Å; L1688-L1800 HydrophobicContact CG-CG 4.21Å |
| 1689 | R | 92.3 | Very high | 91.5 | Very high | 99.2 Ų | 99.2 | 39.2 Ų | 39.2 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60 | -46.3 | 173.1 | -75.4 | 176.7 | -172 | 114.3 | 0.9 | 111.4 | V1685 Q1686 I1687 C1691 F1692 E1693 M1716 L1800 | V1685-R1689 VanDerWaalsContact CG1-CZ 3.43Å; V1685-R1689 VanDerWaalsContact CG1-NH1 3.32Å; V1685-R1689 VanDerWaalsContact O-CG 3.31Å; V1685-R1689 WeakPolarHBondContact O-CG 3.35Å; V1685-R1689 PolarHBondContact O-N 3.06Å; Q1686-R1689 WeakPolarHBondContact O-CB 3.31Å; Q1686-R1689 PolarHBondContact O-N 3.08Å; I1687-R1689 PolarHBondContact O-N 3.21Å; R1689-C1691 VanDerWaalsContact C-N 3.31Å; R1689-C1691 PolarHBondContact O-N 3.08Å; R1689-F1692 PolarHBondContact O-N 3.01Å; R1689-E1693 WeakPolarHBondContact O-CG 3.46Å; R1689-E1693 PolarHBondContact O-N 3.24Å; R1689-M1716 HydrophobicContact CB-SD 4.22Å; R1689-M1716 HydrophobicContact CG-CG 4.4Å; R1689-M1716 HydrophobicContact CG-SD 4.48Å; R1689-L1800 HydrophobicContact CB-CD2 4.49Å; R1689-L1800 HydrophobicContact CG-CD2 3.5Å; R1689-L1800 VanDerWaalsContact CG-CD2 3.49Å |
| 1690 | T | 91.7 | Very high | 91.5 | Very high | 75.4 Ų | 75.4 | 40.8 Ų | 40.8 | 46% | 0.463 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62 | -40.4 | 177.9 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | Q1686 I1687 L1688 E1693 K1694 | Q1686-T1690 PolarHBondContact O-N 3.23Å; Q1686-T1690 VanDerWaalsContact O-N 3.09Å; Q1686-T1690 PolarHBondContact O-OG1 3.18Å; I1687-T1690 WeakPolarHBondContact O-CB 3.41Å; I1687-T1690 PolarHBondContact O-N 3.2Å; I1687-T1690 VanDerWaalsContact O-N 3.15Å; L1688-T1690 VanDerWaalsContact C-N 3.34Å; L1688-T1690 PolarHBondContact O-N 3Å; T1690-E1693 PolarHBondContact O-N 3.13Å; T1690-K1694 WeakPolarHBondContact O-CG 3.37Å; T1690-K1694 PolarHBondContact O-N 3.19Å; T1690-K1694 VanDerWaalsContact O-N 3.11Å |
| 1691 | C | 92 | Very high | 91.4 | Very high | 2.6 Ų | 2.6 | 46 Ų | 46 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -49.7 | 174 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | L1657 L1682 I1687 L1688 R1689 E1693 K1694 I1695 | L1657-C1691 HydrophobicContact CD2-CB 4.04Å; L1682-C1691 HydrophobicContact CD2-CB 4.48Å; I1687-C1691 WeakPolarHBondContact O-CB 3.34Å; I1687-C1691 PolarHBondContact O-N 3.08Å; L1688-C1691 WeakPolarHBondContact O-CB 3.38Å; L1688-C1691 PolarHBondContact O-N 2.99Å; R1689-C1691 VanDerWaalsContact C-N 3.31Å; R1689-C1691 PolarHBondContact O-N 3.08Å; C1691-E1693 VanDerWaalsContact C-N 3.31Å; C1691-E1693 PolarHBondContact O-N 3.15Å; C1691-K1694 WeakPolarHBondContact O-CA 3.37Å; C1691-K1694 WeakPolarHBondContact O-CB 3.35Å; C1691-K1694 PolarHBondContact O-N 3.29Å; C1691-I1695 WeakPolarHBondContact O-CG1 3.17Å; C1691-I1695 PolarHBondContact O-N 3.08Å |
| 1692 | F | 93.4 | Very high | 91.1 | Very high | 1.2 Ų | 1.2 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -32.7 | 179.1 | -92.7 | -123.1 | 0 | 0 | 0 | 113.2 | W1670 L1688 R1689 I1695 A1696 F1712 M1716 L1793 V1796 L1800 | W1670-F1692 AromaticContact CE3-CE2 3.98Å; W1670-F1692 HydrophobicContact CE3-CE2 3.98Å; W1670-F1692 AromaticContact CE3-CZ 3.88Å; W1670-F1692 HydrophobicContact CE3-CZ 3.88Å; W1670-F1692 HydrophobicContact CH2-CE2 4.39Å; W1670-F1692 HydrophobicContact CH2-CZ 4.16Å; W1670-F1692 AromaticContact CZ3-CE2 3.59Å; W1670-F1692 HydrophobicContact CZ3-CE2 3.59Å; W1670-F1692 AromaticContact CZ3-CZ 3.64Å; W1670-F1692 HydrophobicContact CZ3-CZ 3.64Å; L1688-F1692 HydrophobicContact CD1-CD2 4Å; L1688-F1692 HydrophobicContact CD1-CE2 3.92Å; L1688-F1692 PolarHBondContact O-N 3.21Å; R1689-F1692 PolarHBondContact O-N 3.01Å; F1692-I1695 HydrophobicContact CD2-CD1 4.02Å; F1692-I1695 HydrophobicContact CE2-CD1 4.14Å; F1692-I1695 PolarHBondContact O-N 3.19Å; F1692-A1696 VanDerWaalsContact O-CB 3.31Å; F1692-A1696 WeakPolarHBondContact O-CB 3.37Å; F1692-A1696 PolarHBondContact O-N 3.04Å; F1692-F1712 HydrophobicContact CD1-CB 4.29Å; F1692-F1712 AromaticContact CD1-CD1 3.85Å; F1692-F1712 HydrophobicContact CD1-CD1 3.85Å; F1692-F1712 AromaticContact CE1-CD1 3.8Å; F1692-F1712 HydrophobicContact CE1-CD1 3.8Å; F1692-F1712 HydrophobicContact CE1-CE1 4.44Å; F1692-M1716 HydrophobicContact CB-CE 3.99Å; F1692-M1716 HydrophobicContact CB-CG 4.32Å; F1692-M1716 HydrophobicContact CB-SD 3.73Å; F1692-L1793 HydrophobicContact CE1-CD1 4.48Å; F1692-L1793 HydrophobicContact CZ-CD1 4.44Å; F1692-V1796 HydrophobicContact CD2-CG1 4.32Å; F1692-V1796 HydrophobicContact CE1-CG1 3.73Å; F1692-V1796 HydrophobicContact CE2-CG1 3.5Å; F1692-V1796 VanDerWaalsContact CE2-CG1 3.47Å; F1692-V1796 HydrophobicContact CZ-CB 4.15Å; F1692-V1796 HydrophobicContact CZ-CG1 3.17Å; F1692-L1800 HydrophobicContact CB-CD1 4.31Å; F1692-L1800 HydrophobicContact CD1-CD1 3.57Å; F1692-L1800 HydrophobicContact CD2-CD1 4.19Å; F1692-L1800 HydrophobicContact CE1-CD1 3.93Å; F1692-L1800 HydrophobicContact CG-CD1 3.73Å; F1692-L1800 HydrophobicContact CZ-CD1 4.43Å |
| 1693 | E | 91.8 | Very high | 90.9 | Very high | 46.6 Ų | 46.6 | 56.7 Ų | 56.7 | 22% | 0.218 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 169.8 | -74.6 | -178.1 | -154.4 | 0 | 0 | 112.9 | R1689 T1690 C1691 I1695 A1696 K1697 M1716 K1718 | R1689-E1693 WeakPolarHBondContact O-CG 3.46Å; R1689-E1693 PolarHBondContact O-N 3.24Å; T1690-E1693 PolarHBondContact O-N 3.13Å; C1691-E1693 VanDerWaalsContact C-N 3.31Å; C1691-E1693 PolarHBondContact O-N 3.15Å; E1693-I1695 VanDerWaalsContact C-N 3.33Å; E1693-A1696 PolarHBondContact O-N 2.99Å; E1693-K1697 WeakPolarHBondContact O-CB 3.31Å; E1693-K1697 VanDerWaalsContact O-CG 3.3Å; E1693-K1697 WeakPolarHBondContact O-CG 3.44Å; E1693-K1697 PolarHBondContact O-N 3.14Å; E1693-M1716 HydrophobicContact CB-CE 4.42Å; E1693-M1716 HydrophobicContact CG-CE 3.65Å; E1693-M1716 HydrophobicContact CG-SD 3.74Å; E1693-K1718 WeakPolarHBondContact OE1-CE 3.35Å; E1693-K1718 IonicContact OE1-NZ 2.73Å; E1693-K1718 PolarHBondContact OE1-NZ 3.23Å; E1693-K1718 IonicContact OE2-NZ 3.48Å |
| 1694 | K | 93.2 | Very high | 90.8 | Very high | 74.4 Ų | 74.4 | 58.4 Ų | 58.4 | 32% | 0.323 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.5 | -69 | 179.7 | 179.1 | -178.4 | 0 | 110.3 | E1658 M1663 P1668 T1690 C1691 K1697 S1698 | E1658-K1694 IonicContact OE2-NZ 3.09Å; E1658-K1694 PolarHBondContact OE2-NZ 3.21Å; M1663-K1694 HydrophobicContact SD-CD 4.12Å; P1668-K1694 HydrophobicContact CG-CB 3.92Å; T1690-K1694 WeakPolarHBondContact O-CG 3.37Å; T1690-K1694 PolarHBondContact O-N 3.19Å; T1690-K1694 VanDerWaalsContact O-N 3.11Å; C1691-K1694 WeakPolarHBondContact O-CA 3.37Å; C1691-K1694 WeakPolarHBondContact O-CB 3.35Å; C1691-K1694 PolarHBondContact O-N 3.29Å; K1694-K1697 PolarHBondContact O-N 3.26Å; K1694-S1698 VanDerWaalsContact O-CB 3.31Å; K1694-S1698 WeakPolarHBondContact O-CB 3.35Å; K1694-S1698 PolarHBondContact O-N 3.04Å |
| 1695 | I | 93.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.6 | -60.6 | 166.6 | 0 | 0 | 0 | 110.8 | P1668 W1670 L1673 C1691 F1692 E1693 K1697 S1698 A1699 F1712 | P1668-I1695 HydrophobicContact CB-CG1 4.2Å; P1668-I1695 HydrophobicContact CG-CG1 4.27Å; W1670-I1695 HydrophobicContact CB-CG2 4.4Å; W1670-I1695 HydrophobicContact CE3-CD1 4.07Å; L1673-I1695 HydrophobicContact CD1-CD1 3.4Å; L1673-I1695 VanDerWaalsContact CD1-CD1 3.42Å; L1673-I1695 HydrophobicContact CD1-CG1 3.75Å; C1691-I1695 WeakPolarHBondContact O-CG1 3.17Å; C1691-I1695 PolarHBondContact O-N 3.08Å; F1692-I1695 HydrophobicContact CD2-CD1 4.02Å; F1692-I1695 HydrophobicContact CE2-CD1 4.14Å; F1692-I1695 PolarHBondContact O-N 3.19Å; E1693-I1695 VanDerWaalsContact C-N 3.33Å; I1695-K1697 VanDerWaalsContact C-N 3.34Å; I1695-K1697 PolarHBondContact O-N 3.24Å; I1695-S1698 WeakPolarHBondContact O-CB 3.33Å; I1695-S1698 PolarHBondContact O-N 3.09Å; I1695-S1698 VanDerWaalsContact O-N 3.15Å; I1695-A1699 WeakPolarHBondContact O-CB 3.39Å; I1695-A1699 PolarHBondContact O-N 3.2Å; I1695-F1712 HydrophobicContact CG2-CD1 4.03Å; I1695-F1712 HydrophobicContact CG2-CD2 4.06Å; I1695-F1712 HydrophobicContact CG2-CE1 3.82Å; I1695-F1712 HydrophobicContact CG2-CE2 3.85Å; I1695-F1712 HydrophobicContact CG2-CG 4.16Å; I1695-F1712 HydrophobicContact CG2-CZ 3.73Å |
| 1696 | A | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1692 E1693 F1700 A1709 F1712 Y1713 | F1692-A1696 VanDerWaalsContact O-CB 3.31Å; F1692-A1696 WeakPolarHBondContact O-CB 3.37Å; F1692-A1696 PolarHBondContact O-N 3.04Å; E1693-A1696 PolarHBondContact O-N 2.99Å; A1696-F1700 PolarHBondContact O-N 3.17Å; A1696-A1709 HydrophobicContact CB-CB 4.39Å; A1696-A1709 WeakPolarHBondContact O-CB 3.22Å; A1696-F1712 HydrophobicContact CB-CB 3.71Å; A1696-F1712 HydrophobicContact CB-CD2 4.47Å; A1696-F1712 HydrophobicContact CB-CG 4.47Å; A1696-Y1713 HydrophobicContact CB-CD1 4.17Å; A1696-Y1713 HydrophobicContact CB-CD2 3.84Å; A1696-Y1713 HydrophobicContact CB-CE1 3.86Å; A1696-Y1713 HydrophobicContact CB-CE2 3.52Å; A1696-Y1713 HydrophobicContact CB-CG 4.15Å |
| 1697 | K | 91.3 | Very high | 90.8 | Very high | 106 Ų | 106 | 51.2 Ų | 51.2 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.6 | -72.3 | 172.6 | -175.5 | 170.1 | 0 | 111.4 | E1693 K1694 I1695 F1700 Q1701 Y1713 | E1693-K1697 WeakPolarHBondContact O-CB 3.31Å; E1693-K1697 VanDerWaalsContact O-CG 3.3Å; E1693-K1697 WeakPolarHBondContact O-CG 3.44Å; E1693-K1697 PolarHBondContact O-N 3.14Å; K1694-K1697 PolarHBondContact O-N 3.26Å; I1695-K1697 VanDerWaalsContact C-N 3.34Å; I1695-K1697 PolarHBondContact O-N 3.24Å; K1697-F1700 PolarHBondContact O-N 3.05Å; K1697-Q1701 WeakPolarHBondContact O-CB 3.36Å; K1697-Q1701 VanDerWaalsContact O-CG 3.23Å; K1697-Q1701 WeakPolarHBondContact O-CG 3.45Å; K1697-Q1701 PolarHBondContact O-N 3.06Å; K1697-Y1713 WeakPolarHBondContact CG-OH 3.43Å |
| 1698 | S | 92.1 | Very high | 90.6 | Very high | 13.2 Ų | 13.2 | 50.3 Ų | 50.3 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 112 | K1667 P1668 K1694 I1695 F1700 Q1701 A1702 | K1667-S1698 WeakPolarHBondContact CA-OG 3.41Å; P1668-S1698 VanDerWaalsContact O-CB 3.23Å; P1668-S1698 WeakPolarHBondContact O-CB 3.4Å; P1668-S1698 PolarHBondContact O-OG 3.13Å; K1694-S1698 VanDerWaalsContact O-CB 3.31Å; K1694-S1698 WeakPolarHBondContact O-CB 3.35Å; K1694-S1698 PolarHBondContact O-N 3.04Å; I1695-S1698 WeakPolarHBondContact O-CB 3.33Å; I1695-S1698 PolarHBondContact O-N 3.09Å; I1695-S1698 VanDerWaalsContact O-N 3.15Å; S1698-F1700 PolarHBondContact O-N 3.06Å; S1698-Q1701 PolarHBondContact O-N 3.13Å; S1698-A1702 WeakPolarHBondContact O-CB 3.33Å; S1698-A1702 PolarHBondContact O-N 3.19Å |
| 1699 | A | 91.7 | Very high | 90.6 | Very high | 22.2 Ų | 22.2 | 50.2 Ų | 50.2 | 18% | 0.183 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | I1695 A1702 D1708 F1712 | I1695-A1699 WeakPolarHBondContact O-CB 3.39Å; I1695-A1699 PolarHBondContact O-N 3.2Å; A1699-A1702 PolarHBondContact O-N 3.01Å; A1699-D1708 HydrophobicContact CB-CB 4.39Å; A1699-F1712 HydrophobicContact CB-CD2 4.5Å; A1699-F1712 HydrophobicContact CB-CE2 4.26Å |
| 1700 | F | 91.4 | Very high | 90.6 | Very high | 34.8 Ų | 34.8 | 45.6 Ų | 45.6 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.7 | -179.9 | -114.2 | 0 | 0 | 0 | 111.8 | A1696 K1697 S1698 A1702 N1704 P1706 A1709 L1725 V1729 | A1696-F1700 PolarHBondContact O-N 3.17Å; K1697-F1700 PolarHBondContact O-N 3.05Å; S1698-F1700 PolarHBondContact O-N 3.06Å; F1700-A1702 VanDerWaalsContact C-N 3.28Å; F1700-A1702 PolarHBondContact O-N 3.06Å; F1700-N1704 WeakPolarHBondContact O-CA 3.31Å; F1700-N1704 PolarHBondContact O-N 2.89Å; F1700-P1706 HydrophobicContact CD2-CB 4.44Å; F1700-P1706 HydrophobicContact CD2-CG 4.37Å; F1700-P1706 HydrophobicContact CE2-CB 4.29Å; F1700-P1706 HydrophobicContact CE2-CG 3.79Å; F1700-A1709 HydrophobicContact CB-CB 4.01Å; F1700-L1725 HydrophobicContact CD1-CD2 3.95Å; F1700-L1725 HydrophobicContact CE1-CD2 3.79Å; F1700-L1725 HydrophobicContact CE2-CD2 4.48Å; F1700-L1725 HydrophobicContact CG-CD2 4.36Å; F1700-L1725 HydrophobicContact CZ-CD2 4.08Å; F1700-V1729 HydrophobicContact CE2-CG2 3.94Å; F1700-V1729 HydrophobicContact CZ-CG2 4.05Å |
| 1701 | Q | 88.9 | Confident | 90.7 | Very high | 131.6 Ų | 131.6 | 42.3 Ų | 42.3 | 62% | 0.615 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.4 | -27 | -179.4 | -74.3 | 174.9 | 0.2 | 0 | 0 | 113.5 | K1697 S1698 | K1697-Q1701 WeakPolarHBondContact O-CB 3.36Å; K1697-Q1701 VanDerWaalsContact O-CG 3.23Å; K1697-Q1701 WeakPolarHBondContact O-CG 3.45Å; K1697-Q1701 PolarHBondContact O-N 3.06Å; S1698-Q1701 PolarHBondContact O-N 3.13Å |
| 1702 | A | 87.2 | Confident | 90.8 | Very high | 78.8 Ų | 78.8 | 42.7 Ų | 42.7 | 65% | 0.651 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -70.4 | -41.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | S1698 A1699 F1700 | S1698-A1702 WeakPolarHBondContact O-CB 3.33Å; S1698-A1702 PolarHBondContact O-N 3.19Å; A1699-A1702 PolarHBondContact O-N 3.01Å; F1700-A1702 VanDerWaalsContact C-N 3.28Å; F1700-A1702 PolarHBondContact O-N 3.06Å |
| 1703 | K | 87.8 | Confident | 90.8 | Very high | 145.4 Ų | 145.4 | 43.3 Ų | 43.3 | 63% | 0.632 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -120.1 | -5.5 | -175 | -66.2 | 172.4 | -173.9 | 168.3 | 0 | 114.4 | D1705 D1708 | K1703-D1705 HydrophobicContact CB-CB 4.43Å; K1703-D1705 PolarHBondContact O-N 3.22Å; K1703-D1705 VanDerWaalsContact O-N 3.16Å; K1703-D1708 VanDerWaalsContact CD-OD2 3.23Å; K1703-D1708 WeakPolarHBondContact CD-OD2 3.4Å; K1703-D1708 WeakPolarHBondContact CE-OD2 3.3Å; K1703-D1708 IonicContact NZ-OD1 3.65Å; K1703-D1708 PolarHBondContact NZ-OD1 3.31Å; K1703-D1708 IonicContact NZ-OD2 3.13Å; K1703-D1708 PolarHBondContact NZ-OD2 3.2Å |
| 1704 | N | 86.9 | Confident | 90.8 | Very high | 110.8 Ų | 110.8 | 41.5 Ų | 41.5 | 59% | 0.593 | 21% | 0.214 | S | C | * | . | trans | 54.2 | 23.6 | -170.1 | -62.5 | -58.5 | 0 | 0 | 0 | 113.8 | F1700 | F1700-N1704 WeakPolarHBondContact O-CA 3.31Å; F1700-N1704 PolarHBondContact O-N 2.89Å | ||
| 1705 | D | 88.7 | Confident | 90.7 | Very high | 63.6 Ų | 63.6 | 38 Ų | 38 | 34% | 0.34 | 20% | 0.199 | S | C | . | . | trans | -103.2 | 116.1 | 176.3 | -170.3 | -12.1 | 0 | 0 | 0 | 109.6 | K1703 M1707 D1708 | K1703-D1705 HydrophobicContact CB-CB 4.43Å; K1703-D1705 PolarHBondContact O-N 3.22Å; K1703-D1705 VanDerWaalsContact O-N 3.16Å; D1705-M1707 PolarHBondContact O-N 3.23Å; D1705-M1707 VanDerWaalsContact OD1-CB 3.26Å; D1705-M1707 WeakPolarHBondContact OD1-CB 3.24Å; D1705-M1707 PolarHBondContact OD1-N 3.08Å; D1705-D1708 PolarHBondContact O-N 3.15Å | ||
| 1706 | P | 88.8 | Confident | 90.6 | Very high | 1.4 Ų | 1.4 | 38.6 Ų | 38.6 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -21.4 | 176.8 | -18.7 | 31.1 | 0 | 0 | 0 | 113.1 | F1700 A1709 A1710 L1722 L1725 F1726 V1729 | F1700-P1706 HydrophobicContact CD2-CB 4.44Å; F1700-P1706 HydrophobicContact CD2-CG 4.37Å; F1700-P1706 HydrophobicContact CE2-CB 4.29Å; F1700-P1706 HydrophobicContact CE2-CG 3.79Å; P1706-A1709 PolarHBondContact O-N 3Å; P1706-A1710 PolarHBondContact O-N 3.16Å; P1706-L1722 HydrophobicContact CB-CD1 4.4Å; P1706-L1722 WeakPolarHBondContact O-CD1 3.32Å; P1706-L1725 HydrophobicContact CB-CB 3.98Å; P1706-L1725 HydrophobicContact CG-CB 4.39Å; P1706-F1726 HydrophobicContact CB-CD1 3.88Å; P1706-F1726 HydrophobicContact CB-CD2 4Å; P1706-F1726 HydrophobicContact CB-CE1 3.74Å; P1706-F1726 HydrophobicContact CB-CE2 3.86Å; P1706-F1726 HydrophobicContact CB-CG 4.02Å; P1706-F1726 HydrophobicContact CB-CZ 3.73Å; P1706-F1726 HydrophobicContact CG-CD1 3.86Å; P1706-F1726 HydrophobicContact CG-CE1 4Å; P1706-F1726 HydrophobicContact CG-CG 4.25Å; P1706-F1726 HydrophobicContact CG-CZ 4.46Å; P1706-V1729 HydrophobicContact CG-CB 3.9Å; P1706-V1729 HydrophobicContact CG-CG1 4.41Å; P1706-V1729 HydrophobicContact CG-CG2 3.51Å; P1706-V1729 VanDerWaalsContact CG-CG2 3.49Å |
| 1707 | M | 88.2 | Confident | 90.4 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -36.6 | -178.1 | -163.9 | 60.6 | 67.6 | 0 | 0 | 112.6 | D1705 A1709 A1710 F1726 M1734 H1766 F1770 | D1705-M1707 PolarHBondContact O-N 3.23Å; D1705-M1707 VanDerWaalsContact OD1-CB 3.26Å; D1705-M1707 WeakPolarHBondContact OD1-CB 3.24Å; D1705-M1707 PolarHBondContact OD1-N 3.08Å; M1707-A1709 PolarHBondContact O-N 3.28Å; M1707-A1710 WeakPolarHBondContact O-CB 3.4Å; M1707-A1710 PolarHBondContact O-N 3.28Å; M1707-A1710 HydrophobicContact SD-CB 4.19Å; M1707-F1726 HydrophobicContact CE-CE1 4.26Å; M1707-F1726 HydrophobicContact CE-CE2 4.5Å; M1707-F1726 HydrophobicContact CE-CZ 3.69Å; M1707-F1726 HydrophobicContact SD-CZ 4.42Å; M1707-M1734 HydrophobicContact CE-CE 3.94Å; M1707-H1766 HydrophobicContact CG-CB 4.22Å; M1707-H1766 VanDerWaalsContact CG-CD2 3.43Å; M1707-H1766 WeakPolarHBondContact CG-CD2 3.36Å; M1707-H1766 WeakPolarHBondContact CG-NE2 3.42Å; M1707-H1766 HydrophobicContact SD-CB 4.4Å; M1707-F1770 HydrophobicContact CE-CE2 4.12Å; M1707-F1770 HydrophobicContact CE-CZ 4.39Å; M1707-F1770 HydrophobicContact SD-CE2 3.91Å |
| 1708 | D | 88.1 | Confident | 90.4 | Very high | 18.8 Ų | 18.8 | 41.7 Ų | 41.7 | 10% | 0.101 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.3 | -22.7 | 178.6 | -72.5 | -8.8 | 0 | 0 | 0 | 111.9 | A1699 K1703 D1705 F1712 H1766 | A1699-D1708 HydrophobicContact CB-CB 4.39Å; K1703-D1708 VanDerWaalsContact CD-OD2 3.23Å; K1703-D1708 WeakPolarHBondContact CD-OD2 3.4Å; K1703-D1708 WeakPolarHBondContact CE-OD2 3.3Å; K1703-D1708 IonicContact NZ-OD1 3.65Å; K1703-D1708 PolarHBondContact NZ-OD1 3.31Å; K1703-D1708 IonicContact NZ-OD2 3.13Å; K1703-D1708 PolarHBondContact NZ-OD2 3.2Å; D1705-D1708 PolarHBondContact O-N 3.15Å; D1708-F1712 WeakPolarHBondContact O-CE2 3.27Å; D1708-H1766 IonicContact OD1-CD2 3.6Å; D1708-H1766 IonicContact OD1-CE1 3.53Å; D1708-H1766 IonicContact OD1-NE2 3.23Å; D1708-H1766 PolarHBondContact OD1-NE2 3.36Å |
| 1709 | A | 90.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -88.9 | -11.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1696 F1700 P1706 M1707 L1711 F1712 Y1713 | A1696-A1709 HydrophobicContact CB-CB 4.39Å; A1696-A1709 WeakPolarHBondContact O-CB 3.22Å; F1700-A1709 HydrophobicContact CB-CB 4.01Å; P1706-A1709 PolarHBondContact O-N 3Å; M1707-A1709 PolarHBondContact O-N 3.28Å; A1709-L1711 PolarHBondContact O-N 3.15Å; A1709-F1712 PolarHBondContact O-N 3.19Å; A1709-Y1713 HydrophobicContact CB-CD2 3.94Å; A1709-Y1713 HydrophobicContact CB-CE2 3.88Å; A1709-Y1713 VanDerWaalsContact O-CD2 3.32Å; A1709-Y1713 WeakPolarHBondContact O-CD2 3.37Å; A1709-Y1713 PolarHBondContact O-N 3.1Å; A1709-Y1713 VanDerWaalsContact O-N 3.16Å |
| 1710 | A | 93.3 | Very high | 90.2 | Very high | 2.2 Ų | 2.2 | 47 Ų | 47 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1706 M1707 F1712 Y1713 L1714 L1722 A1769 | P1706-A1710 PolarHBondContact O-N 3.16Å; M1707-A1710 WeakPolarHBondContact O-CB 3.4Å; M1707-A1710 PolarHBondContact O-N 3.28Å; M1707-A1710 HydrophobicContact SD-CB 4.19Å; A1710-F1712 VanDerWaalsContact C-N 3.35Å; A1710-F1712 PolarHBondContact O-N 3.05Å; A1710-Y1713 PolarHBondContact O-N 3.29Å; A1710-L1714 VanDerWaalsContact O-CB 3.26Å; A1710-L1714 WeakPolarHBondContact O-CB 3.32Å; A1710-L1714 VanDerWaalsContact O-CG 3.22Å; A1710-L1714 WeakPolarHBondContact O-CG 3.35Å; A1710-L1714 PolarHBondContact O-N 3.18Å; A1710-L1722 HydrophobicContact CB-CD1 3.91Å; A1710-L1722 HydrophobicContact CB-CD2 3.7Å; A1710-L1722 HydrophobicContact CB-CG 4.47Å; A1710-A1769 HydrophobicContact CB-CB 4.05Å |
| 1711 | L | 93.6 | Very high | 90.1 | Very high | 5.2 Ų | 5.2 | 47.7 Ų | 47.7 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.8 | -53 | 178.4 | 174.6 | 92.9 | 0 | 0 | 0 | 111.2 | A1709 L1714 A1715 E1765 V1768 A1769 L1772 L1793 I1797 | A1709-L1711 PolarHBondContact O-N 3.15Å; L1711-L1714 PolarHBondContact O-N 3.1Å; L1711-A1715 WeakPolarHBondContact O-CB 3.31Å; L1711-A1715 PolarHBondContact O-N 3.28Å; L1711-E1765 HydrophobicContact CD1-CB 4.24Å; L1711-E1765 WeakPolarHBondContact CD1-O 3.23Å; L1711-E1765 HydrophobicContact CD2-CB 4.28Å; L1711-E1765 HydrophobicContact CD2-CG 4.45Å; L1711-V1768 HydrophobicContact CD1-CB 3.79Å; L1711-V1768 HydrophobicContact CD1-CG1 3.43Å; L1711-V1768 HydrophobicContact CG-CG1 4.3Å; L1711-A1769 HydrophobicContact CB-CB 4.17Å; L1711-L1772 HydrophobicContact CD1-CD1 4.16Å; L1711-L1793 HydrophobicContact CD1-CD2 4.39Å; L1711-L1793 HydrophobicContact CD2-CD1 4.23Å; L1711-L1793 HydrophobicContact CD2-CD2 4.21Å; L1711-I1797 HydrophobicContact CD1-CD1 4.24Å |
| 1712 | F | 93.3 | Very high | 90.1 | Very high | 11.8 Ų | 11.8 | 41.5 Ų | 41.5 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -44.3 | -175.2 | -53.3 | -66 | 0 | 0 | 0 | 112.1 | W1670 F1692 I1695 A1696 A1699 D1708 A1709 A1710 M1716 | W1670-F1712 HydrophobicContact CB-CE1 3.96Å; W1670-F1712 HydrophobicContact CB-CZ 3.94Å; W1670-F1712 HydrophobicContact CG-CE1 4.26Å; F1692-F1712 HydrophobicContact CD1-CB 4.29Å; F1692-F1712 AromaticContact CD1-CD1 3.85Å; F1692-F1712 HydrophobicContact CD1-CD1 3.85Å; F1692-F1712 AromaticContact CE1-CD1 3.8Å; F1692-F1712 HydrophobicContact CE1-CD1 3.8Å; F1692-F1712 HydrophobicContact CE1-CE1 4.44Å; I1695-F1712 HydrophobicContact CG2-CD1 4.03Å; I1695-F1712 HydrophobicContact CG2-CD2 4.06Å; I1695-F1712 HydrophobicContact CG2-CE1 3.82Å; I1695-F1712 HydrophobicContact CG2-CE2 3.85Å; I1695-F1712 HydrophobicContact CG2-CG 4.16Å; I1695-F1712 HydrophobicContact CG2-CZ 3.73Å; A1696-F1712 HydrophobicContact CB-CB 3.71Å; A1696-F1712 HydrophobicContact CB-CD2 4.47Å; A1696-F1712 HydrophobicContact CB-CG 4.47Å; A1699-F1712 HydrophobicContact CB-CD2 4.5Å; A1699-F1712 HydrophobicContact CB-CE2 4.26Å; D1708-F1712 WeakPolarHBondContact O-CE2 3.27Å; A1709-F1712 PolarHBondContact O-N 3.19Å; A1710-F1712 VanDerWaalsContact C-N 3.35Å; A1710-F1712 PolarHBondContact O-N 3.05Å; F1712-M1716 VanDerWaalsContact O-CE 3.24Å; F1712-M1716 WeakPolarHBondContact O-CE 3.34Å; F1712-M1716 PolarHBondContact O-N 3.15Å |
| 1713 | Y | 93.7 | Very high | 90.2 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 177.5 | -76.7 | -56.1 | 0 | 0 | 0 | 113.1 | A1696 K1697 A1709 A1710 M1716 K1717 K1718 V1721 L1725 | A1696-Y1713 HydrophobicContact CB-CD1 4.17Å; A1696-Y1713 HydrophobicContact CB-CD2 3.84Å; A1696-Y1713 HydrophobicContact CB-CE1 3.86Å; A1696-Y1713 HydrophobicContact CB-CE2 3.52Å; A1696-Y1713 HydrophobicContact CB-CG 4.15Å; K1697-Y1713 WeakPolarHBondContact CG-OH 3.43Å; A1709-Y1713 HydrophobicContact CB-CD2 3.94Å; A1709-Y1713 HydrophobicContact CB-CE2 3.88Å; A1709-Y1713 VanDerWaalsContact O-CD2 3.32Å; A1709-Y1713 WeakPolarHBondContact O-CD2 3.37Å; A1709-Y1713 PolarHBondContact O-N 3.1Å; A1709-Y1713 VanDerWaalsContact O-N 3.16Å; A1710-Y1713 PolarHBondContact O-N 3.29Å; Y1713-M1716 HydrophobicContact CD1-CE 3.92Å; Y1713-M1716 HydrophobicContact CE1-CE 4.45Å; Y1713-M1716 CarbonylContact O-C 3.42Å; Y1713-M1716 PolarHBondContact O-N 3.25Å; Y1713-K1717 PolarHBondContact O-N 3.02Å; Y1713-K1718 HydrophobicContact CD1-CB 4.27Å; Y1713-K1718 PolarHBondContact O-N 3.07Å; Y1713-V1721 HydrophobicContact CD1-CB 4.32Å; Y1713-V1721 HydrophobicContact CD1-CG1 4.09Å; Y1713-V1721 HydrophobicContact CD2-CG1 4.44Å; Y1713-V1721 HydrophobicContact CE1-CB 4.42Å; Y1713-V1721 HydrophobicContact CE1-CG1 3.75Å; Y1713-V1721 HydrophobicContact CE2-CG1 4.11Å; Y1713-V1721 HydrophobicContact CG-CG1 4.43Å; Y1713-L1725 HydrophobicContact CD2-CD1 4.01Å; Y1713-L1725 HydrophobicContact CE2-CD1 3.48Å; Y1713-L1725 VanDerWaalsContact CE2-CD1 3.45Å |
| 1714 | L | 92.5 | Very high | 90.3 | Very high | 9.4 Ų | 9.4 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.7 | -33.4 | 179.5 | -68.5 | 173.8 | 0 | 0 | 0 | 112.3 | A1710 L1711 M1716 K1717 K1719 L1722 A1769 L1772 L1773 F1801 | A1710-L1714 VanDerWaalsContact O-CB 3.26Å; A1710-L1714 WeakPolarHBondContact O-CB 3.32Å; A1710-L1714 VanDerWaalsContact O-CG 3.22Å; A1710-L1714 WeakPolarHBondContact O-CG 3.35Å; A1710-L1714 PolarHBondContact O-N 3.18Å; L1711-L1714 PolarHBondContact O-N 3.1Å; L1714-M1716 PolarHBondContact O-N 3.07Å; L1714-K1717 PolarHBondContact O-N 3.17Å; L1714-K1719 HydrophobicContact CD2-CB 4.12Å; L1714-K1719 HydrophobicContact CD2-CG 4.31Å; L1714-L1722 HydrophobicContact CD1-CD2 3.96Å; L1714-L1722 HydrophobicContact CD2-CD2 4.3Å; L1714-L1722 HydrophobicContact CG-CD2 4.04Å; L1714-A1769 HydrophobicContact CD1-CB 4.07Å; L1714-A1769 VanDerWaalsContact CD1-O 3.22Å; L1714-A1769 WeakPolarHBondContact CD1-O 3.28Å; L1714-L1772 HydrophobicContact CB-CB 4.29Å; L1714-L1773 HydrophobicContact CD1-CB 4.21Å; L1714-L1773 HydrophobicContact CD2-CD1 4.04Å; L1714-F1801 WeakPolarHBondContact O-CD2 3.39Å |
| 1715 | A | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -34.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | L1711 K1717 L1772 I1797 L1800 F1801 | L1711-A1715 WeakPolarHBondContact O-CB 3.31Å; L1711-A1715 PolarHBondContact O-N 3.28Å; A1715-K1717 VanDerWaalsContact C-N 3.34Å; A1715-L1772 HydrophobicContact CB-CD1 4.14Å; A1715-I1797 HydrophobicContact CB-CG1 4.47Å; A1715-L1800 HydrophobicContact CB-CD1 4.47Å; A1715-L1800 CarbonylContact O-C 3.54Å; A1715-L1800 WeakPolarHBondContact O-CB 3.34Å; A1715-F1801 WeakPolarHBondContact O-CA 3.37Å; A1715-F1801 PolarHBondContact O-N 2.95Å |
| 1716 | M | 91.3 | Very high | 90.4 | Very high | 15.6 Ų | 15.6 | 30.1 Ų | 30.1 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 9 | 175.1 | -60.5 | -178.6 | -76.4 | 0 | 0 | 114.4 | R1689 F1692 E1693 F1712 Y1713 L1714 K1718 L1800 | R1689-M1716 HydrophobicContact CB-SD 4.22Å; R1689-M1716 HydrophobicContact CG-CG 4.4Å; R1689-M1716 HydrophobicContact CG-SD 4.48Å; F1692-M1716 HydrophobicContact CB-CE 3.99Å; F1692-M1716 HydrophobicContact CB-CG 4.32Å; F1692-M1716 HydrophobicContact CB-SD 3.73Å; E1693-M1716 HydrophobicContact CB-CE 4.42Å; E1693-M1716 HydrophobicContact CG-CE 3.65Å; E1693-M1716 HydrophobicContact CG-SD 3.74Å; F1712-M1716 VanDerWaalsContact O-CE 3.24Å; F1712-M1716 WeakPolarHBondContact O-CE 3.34Å; F1712-M1716 PolarHBondContact O-N 3.15Å; Y1713-M1716 HydrophobicContact CD1-CE 3.92Å; Y1713-M1716 HydrophobicContact CE1-CE 4.45Å; Y1713-M1716 CarbonylContact O-C 3.42Å; Y1713-M1716 PolarHBondContact O-N 3.25Å; L1714-M1716 PolarHBondContact O-N 3.07Å; M1716-K1718 HydrophobicContact CB-CG 4.2Å; M1716-K1718 PolarHBondContact O-N 2.98Å; M1716-L1800 HydrophobicContact CG-CD1 4.3Å |
| 1717 | K | 89.1 | Confident | 90.3 | Very high | 96.2 Ų | 96.2 | 35.8 Ų | 35.8 | 42% | 0.418 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 22 | -174.3 | -62.2 | 176.6 | 175.2 | 155.8 | 0 | 114.9 | Y1713 L1714 A1715 K1719 F1801 S1802 S1803 | Y1713-K1717 PolarHBondContact O-N 3.02Å; L1714-K1717 PolarHBondContact O-N 3.17Å; A1715-K1717 VanDerWaalsContact C-N 3.34Å; K1717-K1719 VanDerWaalsContact C-N 3.34Å; K1717-K1719 PolarHBondContact O-N 3.23Å; K1717-K1719 VanDerWaalsContact O-N 3.17Å; K1717-F1801 WeakPolarHBondContact CE-O 3.27Å; K1717-F1801 HydrophobicContact CG-CD2 4.21Å; K1717-F1801 HydrophobicContact CG-CE2 4.27Å; K1717-F1801 PolarHBondContact NZ-O 2.96Å; K1717-S1802 PolarHBondContact NZ-O 3.36Å; K1717-S1803 PolarHBondContact NZ-OG 3.17Å |
| 1718 | K | 90.6 | Very high | 90.3 | Very high | 74.2 Ų | 74.2 | 39.1 Ų | 39.1 | 32% | 0.323 | 20% | 0.196 | S | C | . | . | trans | -90.5 | 53.8 | 179.9 | -64.7 | -166.3 | 175 | -166.7 | 0 | 113.1 | E1693 Y1713 M1716 T1720 V1721 | E1693-K1718 WeakPolarHBondContact OE1-CE 3.35Å; E1693-K1718 IonicContact OE1-NZ 2.73Å; E1693-K1718 PolarHBondContact OE1-NZ 3.23Å; E1693-K1718 IonicContact OE2-NZ 3.48Å; Y1713-K1718 HydrophobicContact CD1-CB 4.27Å; Y1713-K1718 PolarHBondContact O-N 3.07Å; M1716-K1718 HydrophobicContact CB-CG 4.2Å; M1716-K1718 PolarHBondContact O-N 2.98Å; K1718-T1720 PolarHBondContact O-N 3.16Å; K1718-V1721 HydrophobicContact CB-CB 4.43Å; K1718-V1721 HydrophobicContact CB-CG2 4.11Å; K1718-V1721 HydrophobicContact CD-CG2 4.43Å; K1718-V1721 PolarHBondContact O-N 3.24Å | ||
| 1719 | K | 90.4 | Very high | 90.3 | Very high | 52.8 Ų | 52.8 | 41.3 Ų | 41.3 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.5 | -38.7 | 177.8 | -171.9 | -171.1 | 72 | 143.1 | 0 | 112.5 | L1714 K1717 V1721 L1722 V1723 L1738 N1740 F1742 L1773 | L1714-K1719 HydrophobicContact CD2-CB 4.12Å; L1714-K1719 HydrophobicContact CD2-CG 4.31Å; K1717-K1719 VanDerWaalsContact C-N 3.34Å; K1717-K1719 PolarHBondContact O-N 3.23Å; K1717-K1719 VanDerWaalsContact O-N 3.17Å; K1719-V1721 VanDerWaalsContact C-N 3.32Å; K1719-V1721 PolarHBondContact O-N 3.17Å; K1719-L1722 WeakPolarHBondContact O-CB 3.32Å; K1719-L1722 PolarHBondContact O-N 3.14Å; K1719-L1722 VanDerWaalsContact O-N 3.16Å; K1719-V1723 WeakPolarHBondContact O-CG2 3.36Å; K1719-V1723 PolarHBondContact O-N 2.88Å; K1719-V1723 VanDerWaalsContact O-N 3.08Å; K1719-L1738 WeakPolarHBondContact CD-O 3.41Å; K1719-L1738 VanDerWaalsContact CE-O 3.29Å; K1719-L1738 WeakPolarHBondContact CE-O 3.31Å; K1719-L1738 PolarHBondContact NZ-O 3.25Å; K1719-L1738 VanDerWaalsContact NZ-O 3.16Å; K1719-N1740 PolarHBondContact NZ-O 3.16Å; K1719-F1742 HydrophobicContact CD-CD2 3.94Å; K1719-F1742 HydrophobicContact CD-CE2 4.19Å; K1719-L1773 HydrophobicContact CD-CD1 3.8Å; K1719-L1773 HydrophobicContact CG-CD1 4.1Å |
| 1720 | T | 89.8 | Confident | 90.1 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.3 | -40.7 | -177.8 | 51.7 | 0 | 0 | 0 | 0 | 112 | K1718 L1722 V1723 H1724 | K1718-T1720 PolarHBondContact O-N 3.16Å; T1720-L1722 VanDerWaalsContact C-N 3.32Å; T1720-L1722 PolarHBondContact O-N 3.23Å; T1720-V1723 PolarHBondContact O-N 3.07Å; T1720-H1724 PolarHBondContact O-N 3.18Å; T1720-H1724 PolarHBondContact O-ND1 3Å |
| 1721 | V | 89.9 | Confident | 89.7 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 177 | -180 | 0 | 0 | 0 | 0 | 110.5 | Y1713 K1718 K1719 V1723 H1724 L1725 | Y1713-V1721 HydrophobicContact CD1-CB 4.32Å; Y1713-V1721 HydrophobicContact CD1-CG1 4.09Å; Y1713-V1721 HydrophobicContact CD2-CG1 4.44Å; Y1713-V1721 HydrophobicContact CE1-CB 4.42Å; Y1713-V1721 HydrophobicContact CE1-CG1 3.75Å; Y1713-V1721 HydrophobicContact CE2-CG1 4.11Å; Y1713-V1721 HydrophobicContact CG-CG1 4.43Å; K1718-V1721 HydrophobicContact CB-CB 4.43Å; K1718-V1721 HydrophobicContact CB-CG2 4.11Å; K1718-V1721 HydrophobicContact CD-CG2 4.43Å; K1718-V1721 PolarHBondContact O-N 3.24Å; K1719-V1721 VanDerWaalsContact C-N 3.32Å; K1719-V1721 PolarHBondContact O-N 3.17Å; V1721-V1723 PolarHBondContact O-N 3.15Å; V1721-H1724 PolarHBondContact O-N 3.04Å; V1721-H1724 VanDerWaalsContact O-N 3.14Å; V1721-L1725 HydrophobicContact CG1-CD1 4.33Å; V1721-L1725 WeakPolarHBondContact O-CG 3.33Å; V1721-L1725 PolarHBondContact O-N 3.13Å |
| 1722 | L | 88.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 178.4 | -170.9 | 62.1 | 0 | 0 | 0 | 112.5 | P1706 A1710 L1714 K1719 T1720 H1724 L1725 F1726 L1738 | P1706-L1722 HydrophobicContact CB-CD1 4.4Å; P1706-L1722 WeakPolarHBondContact O-CD1 3.32Å; A1710-L1722 HydrophobicContact CB-CD1 3.91Å; A1710-L1722 HydrophobicContact CB-CD2 3.7Å; A1710-L1722 HydrophobicContact CB-CG 4.47Å; L1714-L1722 HydrophobicContact CD1-CD2 3.96Å; L1714-L1722 HydrophobicContact CD2-CD2 4.3Å; L1714-L1722 HydrophobicContact CG-CD2 4.04Å; K1719-L1722 WeakPolarHBondContact O-CB 3.32Å; K1719-L1722 PolarHBondContact O-N 3.14Å; K1719-L1722 VanDerWaalsContact O-N 3.16Å; T1720-L1722 VanDerWaalsContact C-N 3.32Å; T1720-L1722 PolarHBondContact O-N 3.23Å; L1722-H1724 VanDerWaalsContact C-N 3.29Å; L1722-H1724 PolarHBondContact O-N 3.2Å; L1722-L1725 PolarHBondContact O-N 3.09Å; L1722-L1725 VanDerWaalsContact O-N 3.16Å; L1722-F1726 HydrophobicContact CD1-CD2 4.04Å; L1722-F1726 HydrophobicContact CD1-CE2 3.6Å; L1722-F1726 HydrophobicContact CD2-CE2 4.12Å; L1722-F1726 HydrophobicContact CG-CD2 3.88Å; L1722-F1726 HydrophobicContact CG-CE2 3.64Å; L1722-F1726 VanDerWaalsContact O-CD2 3.3Å; L1722-F1726 WeakPolarHBondContact O-CD2 3.32Å; L1722-F1726 PolarHBondContact O-N 3.12Å; L1722-L1738 HydrophobicContact CD2-CD1 3.95Å; L1722-L1738 HydrophobicContact CD2-CD2 4.49Å; L1722-L1738 HydrophobicContact CG-CD1 3.99Å |
| 1723 | V | 89.2 | Confident | 89 | Confident | 14.4 Ų | 14.4 | 63.4 Ų | 63.4 | 9% | 0.087 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 174.5 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | K1719 T1720 V1721 F1726 K1727 T1735 L1738 | K1719-V1723 WeakPolarHBondContact O-CG2 3.36Å; K1719-V1723 PolarHBondContact O-N 2.88Å; K1719-V1723 VanDerWaalsContact O-N 3.08Å; T1720-V1723 PolarHBondContact O-N 3.07Å; V1721-V1723 PolarHBondContact O-N 3.15Å; V1723-F1726 PolarHBondContact O-N 2.95Å; V1723-K1727 WeakPolarHBondContact O-CG 3.38Å; V1723-K1727 PolarHBondContact O-N 3.08Å; V1723-K1727 VanDerWaalsContact O-N 3.11Å; V1723-T1735 HydrophobicContact CG1-CG2 4.2Å; V1723-L1738 HydrophobicContact CG2-CB 3.69Å |
| 1724 | H | 89.6 | Confident | 88.5 | Confident | 115.6 Ų | 115.6 | 64.4 Ų | 64.4 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 176.8 | -69 | 84.9 | 0 | 0 | 0 | 111.7 | T1720 V1721 L1722 K1727 T1728 | T1720-H1724 PolarHBondContact O-N 3.18Å; T1720-H1724 PolarHBondContact O-ND1 3Å; V1721-H1724 PolarHBondContact O-N 3.04Å; V1721-H1724 VanDerWaalsContact O-N 3.14Å; L1722-H1724 VanDerWaalsContact C-N 3.29Å; L1722-H1724 PolarHBondContact O-N 3.2Å; H1724-K1727 WeakPolarHBondContact O-CB 3.27Å; H1724-K1727 PolarHBondContact O-N 3.08Å; H1724-T1728 WeakPolarHBondContact O-CG2 3.44Å; H1724-T1728 PolarHBondContact O-N 3Å |
| 1725 | L | 88 | Confident | 88.2 | Confident | 26.2 Ų | 26.2 | 64.6 Ų | 64.6 | 14% | 0.137 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.8 | -66.1 | 172 | 0 | 0 | 0 | 112.1 | F1700 P1706 Y1713 V1721 L1722 K1727 T1728 V1729 | F1700-L1725 HydrophobicContact CD1-CD2 3.95Å; F1700-L1725 HydrophobicContact CE1-CD2 3.79Å; F1700-L1725 HydrophobicContact CE2-CD2 4.48Å; F1700-L1725 HydrophobicContact CG-CD2 4.36Å; F1700-L1725 HydrophobicContact CZ-CD2 4.08Å; P1706-L1725 HydrophobicContact CB-CB 3.98Å; P1706-L1725 HydrophobicContact CG-CB 4.39Å; Y1713-L1725 HydrophobicContact CD2-CD1 4.01Å; Y1713-L1725 HydrophobicContact CE2-CD1 3.48Å; Y1713-L1725 VanDerWaalsContact CE2-CD1 3.45Å; V1721-L1725 HydrophobicContact CG1-CD1 4.33Å; V1721-L1725 WeakPolarHBondContact O-CG 3.33Å; V1721-L1725 PolarHBondContact O-N 3.13Å; L1722-L1725 PolarHBondContact O-N 3.09Å; L1722-L1725 VanDerWaalsContact O-N 3.16Å; L1725-K1727 VanDerWaalsContact C-N 3.3Å; L1725-K1727 PolarHBondContact O-N 3.23Å; L1725-T1728 PolarHBondContact O-N 3.05Å; L1725-T1728 PolarHBondContact O-OG1 3.08Å; L1725-V1729 PolarHBondContact O-N 3.1Å; L1725-V1729 VanDerWaalsContact O-N 3.15Å |
| 1726 | F | 89.2 | Confident | 88.2 | Confident | 4.2 Ų | 4.2 | 69.6 Ų | 69.6 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.3 | -31.5 | 174.5 | -79.8 | -72.4 | 0 | 0 | 0 | 113.1 | P1706 M1707 L1722 V1723 V1729 K1730 D1731 M1734 T1735 L1738 | P1706-F1726 HydrophobicContact CB-CD1 3.88Å; P1706-F1726 HydrophobicContact CB-CD2 4Å; P1706-F1726 HydrophobicContact CB-CE1 3.74Å; P1706-F1726 HydrophobicContact CB-CE2 3.86Å; P1706-F1726 HydrophobicContact CB-CG 4.02Å; P1706-F1726 HydrophobicContact CB-CZ 3.73Å; P1706-F1726 HydrophobicContact CG-CD1 3.86Å; P1706-F1726 HydrophobicContact CG-CE1 4Å; P1706-F1726 HydrophobicContact CG-CG 4.25Å; P1706-F1726 HydrophobicContact CG-CZ 4.46Å; M1707-F1726 HydrophobicContact CE-CE1 4.26Å; M1707-F1726 HydrophobicContact CE-CE2 4.5Å; M1707-F1726 HydrophobicContact CE-CZ 3.69Å; M1707-F1726 HydrophobicContact SD-CZ 4.42Å; L1722-F1726 HydrophobicContact CD1-CD2 4.04Å; L1722-F1726 HydrophobicContact CD1-CE2 3.6Å; L1722-F1726 HydrophobicContact CD2-CE2 4.12Å; L1722-F1726 HydrophobicContact CG-CD2 3.88Å; L1722-F1726 HydrophobicContact CG-CE2 3.64Å; L1722-F1726 VanDerWaalsContact O-CD2 3.3Å; L1722-F1726 WeakPolarHBondContact O-CD2 3.32Å; L1722-F1726 PolarHBondContact O-N 3.12Å; V1723-F1726 PolarHBondContact O-N 2.95Å; F1726-V1729 PolarHBondContact O-N 3.2Å; F1726-K1730 PolarHBondContact O-N 3.05Å; F1726-K1730 VanDerWaalsContact O-N 3.12Å; F1726-D1731 HydrophobicContact CD1-CB 4.05Å; F1726-D1731 PolarHBondContact O-N 3.16Å; F1726-D1731 VanDerWaalsContact O-N 3.11Å; F1726-M1734 HydrophobicContact CD1-CB 3.68Å; F1726-M1734 HydrophobicContact CD1-CG 4.38Å; F1726-M1734 HydrophobicContact CE1-CB 3.87Å; F1726-M1734 HydrophobicContact CE1-CG 4.12Å; F1726-M1734 HydrophobicContact CG-CB 4.04Å; F1726-M1734 HydrophobicContact CZ-CB 4.39Å; F1726-M1734 HydrophobicContact CZ-CE 4.33Å; F1726-T1735 WeakPolarHBondContact CB-OG1 3.28Å; F1726-L1738 HydrophobicContact CD2-CD1 3.29Å; F1726-L1738 HydrophobicContact CE2-CD1 3.41Å; F1726-L1738 VanDerWaalsContact CE2-CD1 3.42Å; F1726-L1738 HydrophobicContact CG-CD1 4.29Å; F1726-L1738 HydrophobicContact CZ-CD1 4.46Å |
| 1727 | K | 88.5 | Confident | 88 | Confident | 121.2 Ų | 121.2 | 70.2 Ų | 70.2 | 53% | 0.527 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 170.1 | -73.6 | 177.2 | 179.6 | -177.7 | 0 | 112.1 | V1723 H1724 L1725 V1729 K1730 T1735 | V1723-K1727 WeakPolarHBondContact O-CG 3.38Å; V1723-K1727 PolarHBondContact O-N 3.08Å; V1723-K1727 VanDerWaalsContact O-N 3.11Å; H1724-K1727 WeakPolarHBondContact O-CB 3.27Å; H1724-K1727 PolarHBondContact O-N 3.08Å; L1725-K1727 VanDerWaalsContact C-N 3.3Å; L1725-K1727 PolarHBondContact O-N 3.23Å; K1727-V1729 VanDerWaalsContact C-N 3.32Å; K1727-V1729 PolarHBondContact O-N 3.31Å; K1727-K1730 PolarHBondContact O-N 3.14Å; K1727-K1730 VanDerWaalsContact O-N 3.15Å; K1727-T1735 HydrophobicContact CD-CG2 4.21Å; K1727-T1735 HydrophobicContact CG-CG2 3.5Å; K1727-T1735 VanDerWaalsContact CG-CG2 3.49Å; K1727-T1735 PolarHBondContact N-OG1 3.1Å |
| 1728 | T | 87.8 | Confident | 88 | Confident | 94.6 Ų | 94.6 | 65.8 Ų | 65.8 | 58% | 0.58 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.3 | -36 | 178.1 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | H1724 L1725 K1730 | H1724-T1728 WeakPolarHBondContact O-CG2 3.44Å; H1724-T1728 PolarHBondContact O-N 3Å; L1725-T1728 PolarHBondContact O-N 3.05Å; L1725-T1728 PolarHBondContact O-OG1 3.08Å; T1728-K1730 VanDerWaalsContact C-N 3.25Å; T1728-K1730 PolarHBondContact O-N 2.92Å |
| 1729 | V | 87.7 | Confident | 87.8 | Confident | 66.4 Ų | 66.4 | 65.5 Ų | 65.5 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.1 | 177.2 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | F1700 P1706 L1725 F1726 K1727 D1731 | F1700-V1729 HydrophobicContact CE2-CG2 3.94Å; F1700-V1729 HydrophobicContact CZ-CG2 4.05Å; P1706-V1729 HydrophobicContact CG-CB 3.9Å; P1706-V1729 HydrophobicContact CG-CG1 4.41Å; P1706-V1729 HydrophobicContact CG-CG2 3.51Å; P1706-V1729 VanDerWaalsContact CG-CG2 3.49Å; L1725-V1729 PolarHBondContact O-N 3.1Å; L1725-V1729 VanDerWaalsContact O-N 3.15Å; F1726-V1729 PolarHBondContact O-N 3.2Å; K1727-V1729 VanDerWaalsContact C-N 3.32Å; K1727-V1729 PolarHBondContact O-N 3.31Å; V1729-D1731 VanDerWaalsContact C-N 3.26Å; V1729-D1731 PolarHBondContact O-N 3.06Å |
| 1730 | K | 85.5 | Confident | 87.8 | Confident | 187.8 Ų | 187.8 | 64.9 Ų | 64.9 | 82% | 0.817 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 27.6 | 179.1 | -55 | 179.2 | 179.8 | 176.6 | 0 | 114.2 | F1726 K1727 T1728 A1732 | F1726-K1730 PolarHBondContact O-N 3.05Å; F1726-K1730 VanDerWaalsContact O-N 3.12Å; K1727-K1730 PolarHBondContact O-N 3.14Å; K1727-K1730 VanDerWaalsContact O-N 3.15Å; T1728-K1730 VanDerWaalsContact C-N 3.25Å; T1728-K1730 PolarHBondContact O-N 2.92Å; K1730-A1732 PolarHBondContact O-N 3.32Å |
| 1731 | D | 86.4 | Confident | 87.7 | Confident | 57.2 Ų | 57.2 | 64.4 Ų | 64.4 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | trans | -84.7 | 90.2 | 172.4 | -170.5 | -13.9 | 0 | 0 | 0 | 110.2 | F1726 V1729 K1733 M1734 T1735 | F1726-D1731 HydrophobicContact CD1-CB 4.05Å; F1726-D1731 PolarHBondContact O-N 3.16Å; F1726-D1731 VanDerWaalsContact O-N 3.11Å; V1729-D1731 VanDerWaalsContact C-N 3.26Å; V1729-D1731 PolarHBondContact O-N 3.06Å; D1731-K1733 VanDerWaalsContact C-N 3.33Å; D1731-K1733 PolarHBondContact O-N 3.03Å; D1731-K1733 PolarHBondContact OD1-N 3.2Å; D1731-M1734 HydrophobicContact CB-CB 4.35Å; D1731-M1734 PolarHBondContact OD1-N 3.1Å; D1731-M1734 WeakPolarHBondContact OD2-CB 3.38Å; D1731-M1734 WeakPolarHBondContact OD2-CG 3.36Å; D1731-T1735 VanDerWaalsContact O-CB 3.29Å; D1731-T1735 WeakPolarHBondContact O-CB 3.26Å; D1731-T1735 PolarHBondContact O-N 3.06Å; D1731-T1735 PolarHBondContact O-OG1 3.09Å | ||
| 1732 | A | 84.3 | Confident | 87.5 | Confident | 61.6 Ų | 61.6 | 62.8 Ų | 62.8 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1730 M1734 T1735 D1736 | K1730-A1732 PolarHBondContact O-N 3.32Å; A1732-M1734 PolarHBondContact O-N 3.25Å; A1732-T1735 PolarHBondContact O-N 3.18Å; A1732-D1736 WeakPolarHBondContact O-CB 3.3Å; A1732-D1736 PolarHBondContact O-N 3.1Å |
| 1733 | K | 87.5 | Confident | 87.3 | Confident | 176.6 Ų | 176.6 | 66.4 Ų | 66.4 | 77% | 0.768 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64 | -47.7 | -176.3 | -67.9 | -178.6 | -179.3 | 177.3 | 0 | 111.3 | D1731 F1737 | D1731-K1733 VanDerWaalsContact C-N 3.33Å; D1731-K1733 PolarHBondContact O-N 3.03Å; D1731-K1733 PolarHBondContact OD1-N 3.2Å; K1733-F1737 WeakPolarHBondContact O-CB 3.27Å; K1733-F1737 PolarHBondContact O-N 3.23Å |
| 1734 | M | 83.5 | Confident | 87.4 | Confident | 34.4 Ų | 34.4 | 70.5 Ų | 70.5 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.1 | -36.8 | 179 | -73.2 | -54.5 | -56.3 | 0 | 0 | 112 | M1707 F1726 D1731 A1732 F1737 L1738 F1770 | M1707-M1734 HydrophobicContact CE-CE 3.94Å; F1726-M1734 HydrophobicContact CD1-CB 3.68Å; F1726-M1734 HydrophobicContact CD1-CG 4.38Å; F1726-M1734 HydrophobicContact CE1-CB 3.87Å; F1726-M1734 HydrophobicContact CE1-CG 4.12Å; F1726-M1734 HydrophobicContact CG-CB 4.04Å; F1726-M1734 HydrophobicContact CZ-CB 4.39Å; F1726-M1734 HydrophobicContact CZ-CE 4.33Å; D1731-M1734 HydrophobicContact CB-CB 4.35Å; D1731-M1734 PolarHBondContact OD1-N 3.1Å; D1731-M1734 WeakPolarHBondContact OD2-CB 3.38Å; D1731-M1734 WeakPolarHBondContact OD2-CG 3.36Å; A1732-M1734 PolarHBondContact O-N 3.25Å; M1734-F1737 HydrophobicContact CE-CD1 4.36Å; M1734-F1737 PolarHBondContact O-N 2.93Å; M1734-L1738 HydrophobicContact CE-CD1 4.29Å; M1734-L1738 HydrophobicContact CE-CG 4.34Å; M1734-L1738 WeakPolarHBondContact O-CB 3.34Å; M1734-L1738 VanDerWaalsContact O-CG 3.29Å; M1734-L1738 WeakPolarHBondContact O-CG 3.32Å; M1734-L1738 PolarHBondContact O-N 2.9Å; M1734-F1770 HydrophobicContact CE-CE1 4.3Å; M1734-F1770 HydrophobicContact CE-CE2 4.46Å; M1734-F1770 HydrophobicContact CE-CZ 3.63Å; M1734-F1770 HydrophobicContact SD-CZ 4.48Å |
| 1735 | T | 86.4 | Confident | 87.3 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 174.1 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | V1723 F1726 K1727 D1731 A1732 F1737 L1738 S1739 | V1723-T1735 HydrophobicContact CG1-CG2 4.2Å; F1726-T1735 WeakPolarHBondContact CB-OG1 3.28Å; K1727-T1735 HydrophobicContact CD-CG2 4.21Å; K1727-T1735 HydrophobicContact CG-CG2 3.5Å; K1727-T1735 VanDerWaalsContact CG-CG2 3.49Å; K1727-T1735 PolarHBondContact N-OG1 3.1Å; D1731-T1735 VanDerWaalsContact O-CB 3.29Å; D1731-T1735 WeakPolarHBondContact O-CB 3.26Å; D1731-T1735 PolarHBondContact O-N 3.06Å; D1731-T1735 PolarHBondContact O-OG1 3.09Å; A1732-T1735 PolarHBondContact O-N 3.18Å; T1735-F1737 VanDerWaalsContact C-N 3.35Å; T1735-F1737 PolarHBondContact O-N 3.13Å; T1735-L1738 PolarHBondContact O-N 2.95Å; T1735-S1739 VanDerWaalsContact O-CB 3.27Å; T1735-S1739 WeakPolarHBondContact O-CB 3.36Å; T1735-S1739 PolarHBondContact O-N 3.21Å; T1735-S1739 PolarHBondContact O-OG 3.27Å |
| 1736 | D | 88.1 | Confident | 87.4 | Confident | 105.8 Ų | 105.8 | 76 Ų | 76 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 179.1 | -68.1 | -17.3 | 0 | 0 | 0 | 110.8 | A1732 S1739 N1740 | A1732-D1736 WeakPolarHBondContact O-CB 3.3Å; A1732-D1736 PolarHBondContact O-N 3.1Å; D1736-S1739 PolarHBondContact O-N 3.2Å; D1736-S1739 PolarHBondContact O-OG 3.14Å; D1736-N1740 PolarHBondContact O-ND2 3.15Å |
| 1737 | F | 89.1 | Confident | 87.5 | Confident | 28.2 Ų | 28.2 | 78.8 Ų | 78.8 | 12% | 0.124 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61 | -51.2 | 176.4 | -179.8 | -102.2 | 0 | 0 | 0 | 112.3 | K1733 M1734 T1735 S1739 N1740 F1742 W1747 A1750 A1751 N1754 F1770 L1773 | K1733-F1737 WeakPolarHBondContact O-CB 3.27Å; K1733-F1737 PolarHBondContact O-N 3.23Å; M1734-F1737 HydrophobicContact CE-CD1 4.36Å; M1734-F1737 PolarHBondContact O-N 2.93Å; T1735-F1737 VanDerWaalsContact C-N 3.35Å; T1735-F1737 PolarHBondContact O-N 3.13Å; F1737-S1739 VanDerWaalsContact C-N 3.29Å; F1737-S1739 PolarHBondContact O-N 3.17Å; F1737-N1740 WeakPolarHBondContact CA-ND2 3.33Å; F1737-N1740 WeakPolarHBondContact O-CB 3.33Å; F1737-N1740 PolarHBondContact O-N 3.16Å; F1737-N1740 PolarHBondContact O-ND2 3.12Å; F1737-F1742 HydrophobicContact CD1-CZ 4.03Å; F1737-F1742 AromaticContact CE1-CE1 3.85Å; F1737-F1742 HydrophobicContact CE1-CE1 3.85Å; F1737-F1742 AromaticContact CE1-CZ 3.64Å; F1737-F1742 HydrophobicContact CE1-CZ 3.64Å; F1737-F1742 HydrophobicContact CE2-CE1 4.29Å; F1737-F1742 HydrophobicContact CE2-CZ 4.38Å; F1737-F1742 AromaticContact CZ-CE1 3.65Å; F1737-F1742 HydrophobicContact CZ-CE1 3.65Å; F1737-F1742 AromaticContact CZ-CZ 3.84Å; F1737-F1742 HydrophobicContact CZ-CZ 3.84Å; F1737-F1742 VanDerWaalsContact O-CZ 3.28Å; F1737-F1742 WeakPolarHBondContact O-CZ 3.22Å; F1737-W1747 HydrophobicContact CD2-CE3 4.49Å; F1737-W1747 HydrophobicContact CD2-CZ3 4.43Å; F1737-W1747 HydrophobicContact CE2-CE3 4.34Å; F1737-A1750 HydrophobicContact CE2-CB 3.96Å; F1737-A1750 HydrophobicContact CZ-CB 4.43Å; F1737-A1751 HydrophobicContact CZ-CB 4.3Å; F1737-N1754 WeakPolarHBondContact CZ-ND2 3.31Å; F1737-F1770 HydrophobicContact CD1-CE1 4.27Å; F1737-F1770 HydrophobicContact CE1-CD1 4.17Å; F1737-F1770 AromaticContact CE1-CE1 3.65Å; F1737-F1770 HydrophobicContact CE1-CE1 3.65Å; F1737-F1770 HydrophobicContact CZ-CE1 4.39Å; F1737-L1773 HydrophobicContact CE1-CD2 3.86Å |
| 1738 | L | 87.4 | Confident | 87.5 | Confident | 3.2 Ų | 3.2 | 75.8 Ų | 75.8 | 2% | 0.017 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.9 | -21.5 | -177.7 | -68 | 173.1 | 0 | 0 | 0 | 113.4 | K1719 L1722 V1723 F1726 M1734 T1735 N1740 L1773 | K1719-L1738 WeakPolarHBondContact CD-O 3.41Å; K1719-L1738 VanDerWaalsContact CE-O 3.29Å; K1719-L1738 WeakPolarHBondContact CE-O 3.31Å; K1719-L1738 PolarHBondContact NZ-O 3.25Å; K1719-L1738 VanDerWaalsContact NZ-O 3.16Å; L1722-L1738 HydrophobicContact CD2-CD1 3.95Å; L1722-L1738 HydrophobicContact CD2-CD2 4.49Å; L1722-L1738 HydrophobicContact CG-CD1 3.99Å; V1723-L1738 HydrophobicContact CG2-CB 3.69Å; F1726-L1738 HydrophobicContact CD2-CD1 3.29Å; F1726-L1738 HydrophobicContact CE2-CD1 3.41Å; F1726-L1738 VanDerWaalsContact CE2-CD1 3.42Å; F1726-L1738 HydrophobicContact CG-CD1 4.29Å; F1726-L1738 HydrophobicContact CZ-CD1 4.46Å; M1734-L1738 HydrophobicContact CE-CD1 4.29Å; M1734-L1738 HydrophobicContact CE-CG 4.34Å; M1734-L1738 WeakPolarHBondContact O-CB 3.34Å; M1734-L1738 VanDerWaalsContact O-CG 3.29Å; M1734-L1738 WeakPolarHBondContact O-CG 3.32Å; M1734-L1738 PolarHBondContact O-N 2.9Å; T1735-L1738 PolarHBondContact O-N 2.95Å; L1738-N1740 PolarHBondContact O-N 3.28Å; L1738-L1773 HydrophobicContact CD2-CD1 4.27Å; L1738-L1773 HydrophobicContact CD2-CD2 3.53Å |
| 1739 | S | 87.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 77.8 Ų | 77.8 | 48% | 0.483 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.7 | -23.3 | 175 | 36.7 | 0 | 0 | 0 | 0 | 112.7 | T1735 D1736 F1737 | T1735-S1739 VanDerWaalsContact O-CB 3.27Å; T1735-S1739 WeakPolarHBondContact O-CB 3.36Å; T1735-S1739 PolarHBondContact O-N 3.21Å; T1735-S1739 PolarHBondContact O-OG 3.27Å; D1736-S1739 PolarHBondContact O-N 3.2Å; D1736-S1739 PolarHBondContact O-OG 3.14Å; F1737-S1739 VanDerWaalsContact C-N 3.29Å; F1737-S1739 PolarHBondContact O-N 3.17Å |
| 1740 | N | 90 | Very high | 87.9 | Confident | 39.4 Ų | 39.4 | 75.9 Ų | 75.9 | 21% | 0.211 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -63.6 | 157 | 178.8 | -64.5 | -59.5 | 0 | 0 | 0 | 112.8 | K1719 D1736 F1737 L1738 F1742 W1747 | K1719-N1740 PolarHBondContact NZ-O 3.16Å; D1736-N1740 PolarHBondContact O-ND2 3.15Å; F1737-N1740 WeakPolarHBondContact CA-ND2 3.33Å; F1737-N1740 WeakPolarHBondContact O-CB 3.33Å; F1737-N1740 PolarHBondContact O-N 3.16Å; F1737-N1740 PolarHBondContact O-ND2 3.12Å; L1738-N1740 PolarHBondContact O-N 3.28Å; N1740-F1742 HydrophobicContact CB-CE2 4.44Å; N1740-F1742 VanDerWaalsContact O-CD2 3.24Å; N1740-F1742 WeakPolarHBondContact O-CD2 3.32Å; N1740-F1742 WeakPolarHBondContact O-CE2 3.39Å; N1740-F1742 PolarHBondContact O-N 3.09Å; N1740-W1747 HydrophobicContact CB-CB 4.48Å; N1740-W1747 HydrophobicContact CB-CD2 3.65Å; N1740-W1747 HydrophobicContact CB-CE3 4.11Å; N1740-W1747 HydrophobicContact CB-CG 3.82Å; N1740-W1747 HydrophobicContact CB-CZ2 4.26Å; N1740-W1747 VanDerWaalsContact CG-CE2 3.47Å; N1740-W1747 VanDerWaalsContact CG-CZ2 3.47Å; N1740-W1747 WeakPolarHBondContact ND2-CH2 3.33Å; N1740-W1747 WeakPolarHBondContact ND2-CZ3 3.39Å; N1740-W1747 VanDerWaalsContact OD1-CZ2 3.27Å; N1740-W1747 WeakPolarHBondContact OD1-CZ2 3.3Å |
| 1741 | D | 86.5 | Confident | 88.2 | Confident | 83.4 Ų | 83.4 | 67 Ų | 67 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | trans | -84.1 | 108.8 | 174.3 | -173.7 | 7.3 | 0 | 0 | 0 | 111.1 | S1743 Q1744 | D1741-S1743 PolarHBondContact O-N 3.02Å; D1741-S1743 VanDerWaalsContact OD1-CB 3.24Å; D1741-S1743 WeakPolarHBondContact OD1-CB 3.24Å; D1741-S1743 PolarHBondContact OD1-N 3.16Å; D1741-S1743 PolarHBondContact OD1-OG 2.95Å; D1741-S1743 VanDerWaalsContact OD1-OG 3.06Å; D1741-S1743 PolarHBondContact OD2-OG 2.98Å; D1741-Q1744 PolarHBondContact O-N 3.22Å | ||
| 1742 | F | 87.2 | Confident | 88.4 | Confident | 16.6 Ų | 16.6 | 66.2 Ų | 66.2 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 5.9 | 177.9 | -65.3 | -87.9 | 0 | 0 | 0 | 113 | K1719 F1737 N1740 W1747 K1748 A1751 L1773 | K1719-F1742 HydrophobicContact CD-CD2 3.94Å; K1719-F1742 HydrophobicContact CD-CE2 4.19Å; F1737-F1742 HydrophobicContact CD1-CZ 4.03Å; F1737-F1742 AromaticContact CE1-CE1 3.85Å; F1737-F1742 HydrophobicContact CE1-CE1 3.85Å; F1737-F1742 AromaticContact CE1-CZ 3.64Å; F1737-F1742 HydrophobicContact CE1-CZ 3.64Å; F1737-F1742 HydrophobicContact CE2-CE1 4.29Å; F1737-F1742 HydrophobicContact CE2-CZ 4.38Å; F1737-F1742 AromaticContact CZ-CE1 3.65Å; F1737-F1742 HydrophobicContact CZ-CE1 3.65Å; F1737-F1742 AromaticContact CZ-CZ 3.84Å; F1737-F1742 HydrophobicContact CZ-CZ 3.84Å; F1737-F1742 VanDerWaalsContact O-CZ 3.28Å; F1737-F1742 WeakPolarHBondContact O-CZ 3.22Å; N1740-F1742 HydrophobicContact CB-CE2 4.44Å; N1740-F1742 VanDerWaalsContact O-CD2 3.24Å; N1740-F1742 WeakPolarHBondContact O-CD2 3.32Å; N1740-F1742 WeakPolarHBondContact O-CE2 3.39Å; N1740-F1742 PolarHBondContact O-N 3.09Å; F1742-W1747 HydrophobicContact CD1-CB 3.88Å; F1742-W1747 WeakPolarHBondContact CD1-O 3.29Å; F1742-W1747 HydrophobicContact CE1-CB 4.07Å; F1742-W1747 HydrophobicContact CG-CB 4.45Å; F1742-K1748 WeakPolarHBondContact O-CE 3.27Å; F1742-K1748 WeakPolarHBondContact O-CG 3.16Å; F1742-A1751 HydrophobicContact CD1-CB 4.05Å; F1742-A1751 HydrophobicContact CE1-CB 3.93Å; F1742-L1773 WeakPolarHBondContact CB-O 3.24Å; F1742-L1773 HydrophobicContact CD1-CD1 4.4Å; F1742-L1773 HydrophobicContact CD1-CD2 4.21Å; F1742-L1773 HydrophobicContact CD1-CG 3.86Å; F1742-L1773 HydrophobicContact CD2-CD1 3.66Å; F1742-L1773 HydrophobicContact CD2-CD2 4.47Å; F1742-L1773 HydrophobicContact CD2-CG 4.03Å; F1742-L1773 HydrophobicContact CE1-CD2 3.71Å; F1742-L1773 HydrophobicContact CE1-CG 3.89Å; F1742-L1773 HydrophobicContact CE2-CD1 3.82Å; F1742-L1773 HydrophobicContact CE2-CD2 4Å; F1742-L1773 HydrophobicContact CE2-CG 4.06Å; F1742-L1773 HydrophobicContact CG-CD1 3.98Å; F1742-L1773 HydrophobicContact CG-CG 3.94Å; F1742-L1773 HydrophobicContact CZ-CD1 4.26Å; F1742-L1773 HydrophobicContact CZ-CD2 3.59Å; F1742-L1773 HydrophobicContact CZ-CG 4Å |
| 1743 | S | 84.5 | Confident | 88.8 | Confident | 75.6 Ų | 75.6 | 70.4 Ų | 70.4 | 53% | 0.529 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.8 | 161.7 | 79.9 | 0 | 0 | 0 | 0 | 111.1 | D1741 K1748 | D1741-S1743 PolarHBondContact O-N 3.02Å; D1741-S1743 VanDerWaalsContact OD1-CB 3.24Å; D1741-S1743 WeakPolarHBondContact OD1-CB 3.24Å; D1741-S1743 PolarHBondContact OD1-N 3.16Å; D1741-S1743 PolarHBondContact OD1-OG 2.95Å; D1741-S1743 VanDerWaalsContact OD1-OG 3.06Å; D1741-S1743 PolarHBondContact OD2-OG 2.98Å; S1743-K1748 VanDerWaalsContact O-CE 3.23Å; S1743-K1748 WeakPolarHBondContact O-CE 3.26Å; S1743-K1748 PolarHBondContact O-NZ 3.2Å; S1743-K1748 VanDerWaalsContact O-NZ 3.12Å |
| 1744 | Q | 89.7 | Confident | 89.1 | Confident | 101.4 Ų | 101.4 | 64.9 Ų | 64.9 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -78.2 | 133.8 | -179.5 | -59.7 | -172.8 | 6.7 | 0 | 0 | 112.4 | D1741 K1746 W1747 K1748 | D1741-Q1744 PolarHBondContact O-N 3.22Å; Q1744-K1746 PolarHBondContact O-N 3.37Å; Q1744-K1746 VanDerWaalsContact O-N 3.12Å; Q1744-W1747 PolarHBondContact O-N 3.21Å; Q1744-K1748 PolarHBondContact O-N 3.14Å |
| 1745 | D | 87.5 | Confident | 89.5 | Confident | 107.6 Ų | 107.6 | 63.3 Ų | 63.3 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -56.4 | -33 | -179.5 | -76.4 | -9.7 | 0 | 0 | 0 | 114.1 | W1747 K1748 K1749 | D1745-W1747 VanDerWaalsContact C-N 3.34Å; D1745-W1747 PolarHBondContact O-N 3.03Å; D1745-K1748 IonicContact OD1-NZ 2.81Å; D1745-K1749 WeakPolarHBondContact O-CB 3.38Å; D1745-K1749 VanDerWaalsContact O-CG 3.31Å; D1745-K1749 WeakPolarHBondContact O-CG 3.33Å; D1745-K1749 PolarHBondContact O-N 2.94Å |
| 1746 | K | 91.1 | Very high | 89.9 | Confident | 149.6 Ų | 149.6 | 68.2 Ų | 68.2 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.8 | -48.1 | 176.8 | -178.5 | -176.7 | 175.6 | -175.3 | 0 | 111.2 | Q1744 A1750 | Q1744-K1746 PolarHBondContact O-N 3.37Å; Q1744-K1746 VanDerWaalsContact O-N 3.12Å; K1746-A1750 PolarHBondContact O-N 3.09Å |
| 1747 | W | 90.2 | Very high | 90.2 | Very high | 63.4 Ų | 63.4 | 66.6 Ų | 66.6 | 24% | 0.24 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -81.6 | -31.7 | -176.9 | -62.4 | 116.4 | 0 | 0 | 0 | 112.1 | F1737 N1740 F1742 Q1744 D1745 A1750 A1751 | F1737-W1747 HydrophobicContact CD2-CE3 4.49Å; F1737-W1747 HydrophobicContact CD2-CZ3 4.43Å; F1737-W1747 HydrophobicContact CE2-CE3 4.34Å; N1740-W1747 HydrophobicContact CB-CB 4.48Å; N1740-W1747 HydrophobicContact CB-CD2 3.65Å; N1740-W1747 HydrophobicContact CB-CE3 4.11Å; N1740-W1747 HydrophobicContact CB-CG 3.82Å; N1740-W1747 HydrophobicContact CB-CZ2 4.26Å; N1740-W1747 VanDerWaalsContact CG-CE2 3.47Å; N1740-W1747 VanDerWaalsContact CG-CZ2 3.47Å; N1740-W1747 WeakPolarHBondContact ND2-CH2 3.33Å; N1740-W1747 WeakPolarHBondContact ND2-CZ3 3.39Å; N1740-W1747 VanDerWaalsContact OD1-CZ2 3.27Å; N1740-W1747 WeakPolarHBondContact OD1-CZ2 3.3Å; F1742-W1747 HydrophobicContact CD1-CB 3.88Å; F1742-W1747 WeakPolarHBondContact CD1-O 3.29Å; F1742-W1747 HydrophobicContact CE1-CB 4.07Å; F1742-W1747 HydrophobicContact CG-CB 4.45Å; Q1744-W1747 PolarHBondContact O-N 3.21Å; D1745-W1747 VanDerWaalsContact C-N 3.34Å; D1745-W1747 PolarHBondContact O-N 3.03Å; W1747-A1750 HydrophobicContact CE3-CB 4.38Å; W1747-A1750 WeakPolarHBondContact O-CB 3.38Å; W1747-A1750 PolarHBondContact O-N 3.07Å; W1747-A1751 PolarHBondContact O-N 3.09Å |
| 1748 | K | 89.5 | Confident | 90.4 | Very high | 58 Ų | 58 | 66.3 Ų | 66.3 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.7 | -51.8 | 168.1 | -83.1 | -178.6 | -178.5 | 167.9 | 0 | 111.4 | F1742 S1743 Q1744 D1745 A1750 A1751 L1752 G1774 | F1742-K1748 WeakPolarHBondContact O-CE 3.27Å; F1742-K1748 WeakPolarHBondContact O-CG 3.16Å; S1743-K1748 VanDerWaalsContact O-CE 3.23Å; S1743-K1748 WeakPolarHBondContact O-CE 3.26Å; S1743-K1748 PolarHBondContact O-NZ 3.2Å; S1743-K1748 VanDerWaalsContact O-NZ 3.12Å; Q1744-K1748 PolarHBondContact O-N 3.14Å; D1745-K1748 IonicContact OD1-NZ 2.81Å; K1748-A1750 VanDerWaalsContact C-N 3.27Å; K1748-A1750 PolarHBondContact O-N 3.11Å; K1748-A1751 WeakPolarHBondContact O-CB 3.22Å; K1748-A1751 PolarHBondContact O-N 3.05Å; K1748-A1751 VanDerWaalsContact O-N 3.12Å; K1748-L1752 WeakPolarHBondContact O-CG 3.35Å; K1748-L1752 PolarHBondContact O-N 3.15Å; K1748-G1774 WeakPolarHBondContact CE-O 3.32Å; K1748-G1774 WeakPolarHBondContact CG-O 2.9Å |
| 1749 | K | 90.7 | Very high | 90.5 | Very high | 136.4 Ų | 136.4 | 68.4 Ų | 68.4 | 59% | 0.593 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | 176.9 | -73.3 | 176.7 | -178.3 | 176.8 | 0 | 112.4 | D1745 K1753 | D1745-K1749 WeakPolarHBondContact O-CB 3.38Å; D1745-K1749 VanDerWaalsContact O-CG 3.31Å; D1745-K1749 WeakPolarHBondContact O-CG 3.33Å; D1745-K1749 PolarHBondContact O-N 2.94Å; K1749-K1753 WeakPolarHBondContact O-CB 3.4Å; K1749-K1753 VanDerWaalsContact O-CG 3.31Å; K1749-K1753 WeakPolarHBondContact O-CG 3.35Å; K1749-K1753 PolarHBondContact O-N 3.24Å |
| 1750 | A | 92.4 | Very high | 90.7 | Very high | 27.4 Ų | 27.4 | 69.5 Ų | 69.5 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1737 K1746 W1747 K1748 K1753 N1754 | F1737-A1750 HydrophobicContact CE2-CB 3.96Å; F1737-A1750 HydrophobicContact CZ-CB 4.43Å; K1746-A1750 PolarHBondContact O-N 3.09Å; W1747-A1750 HydrophobicContact CE3-CB 4.38Å; W1747-A1750 WeakPolarHBondContact O-CB 3.38Å; W1747-A1750 PolarHBondContact O-N 3.07Å; K1748-A1750 VanDerWaalsContact C-N 3.27Å; K1748-A1750 PolarHBondContact O-N 3.11Å; A1750-K1753 PolarHBondContact O-N 2.97Å; A1750-N1754 VanDerWaalsContact O-CG 3.31Å; A1750-N1754 PolarHBondContact O-N 3.12Å; A1750-N1754 VanDerWaalsContact O-N 3.08Å; A1750-N1754 PolarHBondContact O-ND2 3.16Å |
| 1751 | A | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1737 F1742 W1747 K1748 K1753 N1754 A1755 L1773 | F1737-A1751 HydrophobicContact CZ-CB 4.3Å; F1742-A1751 HydrophobicContact CD1-CB 4.05Å; F1742-A1751 HydrophobicContact CE1-CB 3.93Å; W1747-A1751 PolarHBondContact O-N 3.09Å; K1748-A1751 WeakPolarHBondContact O-CB 3.22Å; K1748-A1751 PolarHBondContact O-N 3.05Å; K1748-A1751 VanDerWaalsContact O-N 3.12Å; A1751-K1753 PolarHBondContact O-N 3.03Å; A1751-N1754 WeakPolarHBondContact O-CB 3.34Å; A1751-N1754 PolarHBondContact O-N 2.99Å; A1751-N1754 VanDerWaalsContact O-N 3.17Å; A1751-A1755 PolarHBondContact O-N 3.07Å; A1751-L1773 HydrophobicContact CB-CB 4.48Å; A1751-L1773 HydrophobicContact CB-CD2 4.28Å; A1751-L1773 HydrophobicContact CB-CG 4.38Å |
| 1752 | L | 92 | Very high | 91.2 | Very high | 40.4 Ų | 40.4 | 77.4 Ų | 77.4 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 178.1 | -64.7 | 174.8 | 0 | 0 | 0 | 112.3 | K1748 N1754 A1755 F1756 F1771 A1776 | K1748-L1752 WeakPolarHBondContact O-CG 3.35Å; K1748-L1752 PolarHBondContact O-N 3.15Å; L1752-N1754 VanDerWaalsContact C-N 3.3Å; L1752-N1754 PolarHBondContact O-N 3.17Å; L1752-A1755 WeakPolarHBondContact O-CB 3.32Å; L1752-A1755 PolarHBondContact O-N 3.06Å; L1752-A1755 VanDerWaalsContact O-N 3.14Å; L1752-F1756 WeakPolarHBondContact O-CD2 3.4Å; L1752-F1756 PolarHBondContact O-N 3.02Å; L1752-F1771 HydrophobicContact CD2-CD1 3.63Å; L1752-F1771 HydrophobicContact CD2-CE1 4.07Å; L1752-A1776 HydrophobicContact CD2-CB 3.58Å |
| 1753 | K | 92.7 | Very high | 91.5 | Very high | 149.6 Ų | 149.6 | 83 Ų | 83 | 65% | 0.65 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 174.2 | -75.5 | 178.7 | 179.9 | -173.2 | 0 | 111.8 | K1749 A1750 A1751 A1755 F1756 V1757 | K1749-K1753 WeakPolarHBondContact O-CB 3.4Å; K1749-K1753 VanDerWaalsContact O-CG 3.31Å; K1749-K1753 WeakPolarHBondContact O-CG 3.35Å; K1749-K1753 PolarHBondContact O-N 3.24Å; A1750-K1753 PolarHBondContact O-N 2.97Å; A1751-K1753 PolarHBondContact O-N 3.03Å; K1753-A1755 VanDerWaalsContact C-N 3.33Å; K1753-F1756 PolarHBondContact O-N 3.27Å; K1753-V1757 VanDerWaalsContact O-CG2 3.3Å; K1753-V1757 WeakPolarHBondContact O-CG2 3.32Å; K1753-V1757 PolarHBondContact O-N 3.09Å; K1753-V1757 VanDerWaalsContact O-N 3.1Å |
| 1754 | N | 92.1 | Very high | 92 | Very high | 61.4 Ų | 61.4 | 82.2 Ų | 82.2 | 33% | 0.328 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.6 | -70.5 | -16.4 | 0 | 0 | 0 | 111.7 | F1737 A1750 A1751 L1752 V1757 L1758 F1770 | F1737-N1754 WeakPolarHBondContact CZ-ND2 3.31Å; A1750-N1754 VanDerWaalsContact O-CG 3.31Å; A1750-N1754 PolarHBondContact O-N 3.12Å; A1750-N1754 VanDerWaalsContact O-N 3.08Å; A1750-N1754 PolarHBondContact O-ND2 3.16Å; A1751-N1754 WeakPolarHBondContact O-CB 3.34Å; A1751-N1754 PolarHBondContact O-N 2.99Å; A1751-N1754 VanDerWaalsContact O-N 3.17Å; L1752-N1754 VanDerWaalsContact C-N 3.3Å; L1752-N1754 PolarHBondContact O-N 3.17Å; N1754-V1757 PolarHBondContact O-N 3.05Å; N1754-L1758 WeakPolarHBondContact O-CG 3.37Å; N1754-L1758 PolarHBondContact O-N 3.14Å; N1754-F1770 HydrophobicContact CB-CD1 3.68Å; N1754-F1770 HydrophobicContact CB-CE1 3.79Å; N1754-F1770 HydrophobicContact CB-CG 4.39Å |
| 1755 | A | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1751 L1752 K1753 V1757 L1758 I1759 F1770 F1771 | A1751-A1755 PolarHBondContact O-N 3.07Å; L1752-A1755 WeakPolarHBondContact O-CB 3.32Å; L1752-A1755 PolarHBondContact O-N 3.06Å; L1752-A1755 VanDerWaalsContact O-N 3.14Å; K1753-A1755 VanDerWaalsContact C-N 3.33Å; A1755-V1757 VanDerWaalsContact C-N 3.32Å; A1755-V1757 PolarHBondContact O-N 3.15Å; A1755-L1758 WeakPolarHBondContact O-CB 3.44Å; A1755-L1758 PolarHBondContact O-N 2.96Å; A1755-I1759 PolarHBondContact O-N 3.15Å; A1755-F1770 HydrophobicContact CB-CB 3.7Å; A1755-F1771 HydrophobicContact CB-CD1 3.83Å; A1755-F1771 HydrophobicContact CB-CD2 3.73Å; A1755-F1771 HydrophobicContact CB-CE1 3.7Å; A1755-F1771 HydrophobicContact CB-CE2 3.56Å; A1755-F1771 HydrophobicContact CB-CG 3.83Å; A1755-F1771 HydrophobicContact CB-CZ 3.55Å |
| 1756 | F | 93.8 | Very high | 92.4 | Very high | 116.8 Ų | 116.8 | 76.6 Ų | 76.6 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176.1 | -72.8 | -65.2 | 0 | 0 | 0 | 113 | L1752 K1753 L1758 I1759 S1760 F1771 | L1752-F1756 WeakPolarHBondContact O-CD2 3.4Å; L1752-F1756 PolarHBondContact O-N 3.02Å; K1753-F1756 PolarHBondContact O-N 3.27Å; F1756-L1758 VanDerWaalsContact C-N 3.32Å; F1756-L1758 PolarHBondContact O-N 3.03Å; F1756-I1759 HydrophobicContact CD1-CD1 4.15Å; F1756-I1759 PolarHBondContact O-N 3Å; F1756-S1760 PolarHBondContact O-N 3.09Å; F1756-S1760 VanDerWaalsContact O-N 3.13Å; F1756-F1771 HydrophobicContact CD1-CZ 4.17Å; F1756-F1771 HydrophobicContact CE1-CE1 4.31Å; F1756-F1771 HydrophobicContact CE1-CZ 4.02Å; F1756-F1771 HydrophobicContact CE2-CE1 4.15Å; F1756-F1771 HydrophobicContact CE2-CZ 4.5Å; F1756-F1771 HydrophobicContact CG-CZ 4.48Å; F1756-F1771 AromaticContact CZ-CE1 3.99Å; F1756-F1771 HydrophobicContact CZ-CE1 4Å; F1756-F1771 HydrophobicContact CZ-CZ 4.18Å |
| 1757 | V | 94.9 | Very high | 92.5 | Very high | 70.6 Ų | 70.6 | 69.5 Ų | 69.5 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 173.3 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | K1753 N1754 A1755 S1760 K1761 | K1753-V1757 VanDerWaalsContact O-CG2 3.3Å; K1753-V1757 WeakPolarHBondContact O-CG2 3.32Å; K1753-V1757 PolarHBondContact O-N 3.09Å; K1753-V1757 VanDerWaalsContact O-N 3.1Å; N1754-V1757 PolarHBondContact O-N 3.05Å; A1755-V1757 VanDerWaalsContact C-N 3.32Å; A1755-V1757 PolarHBondContact O-N 3.15Å; V1757-S1760 PolarHBondContact O-N 3.13Å; V1757-S1760 PolarHBondContact O-OG 3.21Å; V1757-K1761 HydrophobicContact CG1-CD 4.47Å; V1757-K1761 WeakPolarHBondContact O-CG 3.38Å; V1757-K1761 PolarHBondContact O-N 3.1Å; V1757-K1761 VanDerWaalsContact O-N 3.16Å |
| 1758 | L | 92.7 | Very high | 92.7 | Very high | 22.2 Ų | 22.2 | 66.5 Ų | 66.5 | 12% | 0.116 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.5 | -36 | 177.5 | -72.4 | 166.1 | 0 | 0 | 0 | 112.8 | N1754 A1755 F1756 S1760 K1761 Q1762 R1763 H1766 A1767 F1770 | N1754-L1758 WeakPolarHBondContact O-CG 3.37Å; N1754-L1758 PolarHBondContact O-N 3.14Å; A1755-L1758 WeakPolarHBondContact O-CB 3.44Å; A1755-L1758 PolarHBondContact O-N 2.96Å; F1756-L1758 VanDerWaalsContact C-N 3.32Å; F1756-L1758 PolarHBondContact O-N 3.03Å; L1758-S1760 VanDerWaalsContact C-N 3.32Å; L1758-S1760 PolarHBondContact O-N 3.15Å; L1758-K1761 CarbonylContact O-C 3.45Å; L1758-K1761 PolarHBondContact O-N 3.02Å; L1758-K1761 VanDerWaalsContact O-N 3.15Å; L1758-Q1762 PolarHBondContact O-N 2.98Å; L1758-R1763 HydrophobicContact CD2-CB 4.33Å; L1758-R1763 PolarHBondContact O-N 3.05Å; L1758-H1766 HydrophobicContact CD1-CB 3.92Å; L1758-H1766 HydrophobicContact CD2-CB 4.19Å; L1758-H1766 HydrophobicContact CG-CB 4.49Å; L1758-A1767 HydrophobicContact CB-CB 3.82Å; L1758-F1770 HydrophobicContact CD1-CD2 3.28Å; L1758-F1770 HydrophobicContact CD1-CE2 3.47Å; L1758-F1770 VanDerWaalsContact CD1-CE2 3.47Å; L1758-F1770 HydrophobicContact CD1-CG 4.01Å; L1758-F1770 HydrophobicContact CD1-CZ 4.32Å |
| 1759 | I | 90.6 | Very high | 92.9 | Very high | 47.4 Ų | 47.4 | 63.7 Ų | 63.7 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.6 | -48.8 | 169.1 | -63.3 | 176 | 0 | 0 | 0 | 109.8 | A1755 F1756 K1761 Q1762 F1764 A1767 F1771 V1783 | A1755-I1759 PolarHBondContact O-N 3.15Å; F1756-I1759 HydrophobicContact CD1-CD1 4.15Å; F1756-I1759 PolarHBondContact O-N 3Å; I1759-K1761 PolarHBondContact O-N 3.19Å; I1759-K1761 VanDerWaalsContact O-N 3.13Å; I1759-Q1762 PolarHBondContact O-N 3.04Å; I1759-F1764 HydrophobicContact CG2-CE1 4.44Å; I1759-A1767 HydrophobicContact CG1-CB 3.67Å; I1759-F1771 HydrophobicContact CD1-CE2 3.67Å; I1759-F1771 HydrophobicContact CD1-CZ 3.77Å; I1759-F1771 HydrophobicContact CG1-CE2 4.21Å; I1759-V1783 HydrophobicContact CD1-CG2 3.74Å; I1759-V1783 HydrophobicContact CG1-CG2 4.31Å |
| 1760 | S | 90.9 | Very high | 93 | Very high | 92.4 Ų | 92.4 | 57.9 Ų | 57.9 | 65% | 0.646 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.9 | -22.1 | -179.4 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | F1756 V1757 L1758 Q1762 | F1756-S1760 PolarHBondContact O-N 3.09Å; F1756-S1760 VanDerWaalsContact O-N 3.13Å; V1757-S1760 PolarHBondContact O-N 3.13Å; V1757-S1760 PolarHBondContact O-OG 3.21Å; L1758-S1760 VanDerWaalsContact C-N 3.32Å; L1758-S1760 PolarHBondContact O-N 3.15Å; S1760-Q1762 VanDerWaalsContact C-N 3.34Å |
| 1761 | K | 94.8 | Very high | 93.1 | Very high | 131 Ų | 131 | 56.7 Ų | 56.7 | 57% | 0.57 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 8.8 | 174.9 | -68.8 | -178.6 | 178.1 | -179.7 | 0 | 113.4 | V1757 L1758 I1759 R1763 | V1757-K1761 HydrophobicContact CG1-CD 4.47Å; V1757-K1761 WeakPolarHBondContact O-CG 3.38Å; V1757-K1761 PolarHBondContact O-N 3.1Å; V1757-K1761 VanDerWaalsContact O-N 3.16Å; L1758-K1761 CarbonylContact O-C 3.45Å; L1758-K1761 PolarHBondContact O-N 3.02Å; L1758-K1761 VanDerWaalsContact O-N 3.15Å; I1759-K1761 PolarHBondContact O-N 3.19Å; I1759-K1761 VanDerWaalsContact O-N 3.13Å; K1761-R1763 HydrophobicContact CB-CG 4.45Å; K1761-R1763 PolarHBondContact O-N 2.98Å |
| 1762 | Q | 92.5 | Very high | 93.1 | Very high | 156.8 Ų | 156.8 | 56.9 Ų | 56.9 | 73% | 0.733 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 26.6 | -176.1 | -56.6 | -179.2 | -7.4 | 0 | 0 | 113.8 | L1758 I1759 S1760 F1764 | L1758-Q1762 PolarHBondContact O-N 2.98Å; I1759-Q1762 PolarHBondContact O-N 3.04Å; S1760-Q1762 VanDerWaalsContact C-N 3.34Å; Q1762-F1764 HydrophobicContact CB-CE2 4.3Å; Q1762-F1764 HydrophobicContact CB-CZ 4.1Å; Q1762-F1764 HydrophobicContact CG-CZ 4.39Å |
| 1763 | R | 93.4 | Very high | 93 | Very high | 134 Ų | 134 | 55.6 Ų | 55.6 | 51% | 0.506 | 27% | 0.266 | S | S | . | . | trans | -103.1 | 75.2 | 176.5 | -65.3 | -166.7 | -157.3 | -177.4 | -5.2 | 109.8 | L1758 K1761 H1766 A1767 | L1758-R1763 HydrophobicContact CD2-CB 4.33Å; L1758-R1763 PolarHBondContact O-N 3.05Å; K1761-R1763 HydrophobicContact CB-CG 4.45Å; K1761-R1763 PolarHBondContact O-N 2.98Å; R1763-H1766 HydrophobicContact CB-CB 4.27Å; R1763-H1766 WeakPolarHBondContact CD-ND1 3.42Å; R1763-H1766 PolarHBondContact O-N 3.14Å; R1763-A1767 PolarHBondContact O-N 3.14Å | ||
| 1764 | F | 94.4 | Very high | 92.8 | Very high | 59.2 Ų | 59.2 | 48.7 Ų | 48.7 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.3 | -44.1 | -169.7 | -52.2 | -62.2 | 0 | 0 | 0 | 113.2 | I1759 Q1762 H1766 A1767 V1768 V1783 S1787 M1788 | I1759-F1764 HydrophobicContact CG2-CE1 4.44Å; Q1762-F1764 HydrophobicContact CB-CE2 4.3Å; Q1762-F1764 HydrophobicContact CB-CZ 4.1Å; Q1762-F1764 HydrophobicContact CG-CZ 4.39Å; F1764-H1766 VanDerWaalsContact C-N 3.27Å; F1764-H1766 PolarHBondContact O-N 3.11Å; F1764-A1767 WeakPolarHBondContact O-CA 3.3Å; F1764-A1767 WeakPolarHBondContact O-CB 3.38Å; F1764-A1767 PolarHBondContact O-N 3.28Å; F1764-A1767 VanDerWaalsContact O-N 3.09Å; F1764-V1768 WeakPolarHBondContact O-CG2 3.36Å; F1764-V1768 PolarHBondContact O-N 3.25Å; F1764-V1783 HydrophobicContact CB-CG1 4.17Å; F1764-V1783 HydrophobicContact CD1-CG1 4.42Å; F1764-S1787 VanDerWaalsContact CD1-CB 3.43Å; F1764-M1788 HydrophobicContact CB-CG 3.61Å; F1764-M1788 HydrophobicContact CB-SD 4.05Å; F1764-M1788 HydrophobicContact CG-CG 4.4Å |
| 1765 | E | 92.2 | Very high | 92.7 | Very high | 74.8 Ų | 74.8 | 50.5 Ų | 50.5 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.9 | -42.4 | 177 | -65.7 | 179.9 | 168.6 | 0 | 0 | 112.1 | L1711 A1769 M1788 | L1711-E1765 HydrophobicContact CD1-CB 4.24Å; L1711-E1765 WeakPolarHBondContact CD1-O 3.23Å; L1711-E1765 HydrophobicContact CD2-CB 4.28Å; L1711-E1765 HydrophobicContact CD2-CG 4.45Å; E1765-A1769 PolarHBondContact O-N 2.97Å; E1765-A1769 VanDerWaalsContact O-N 3.11Å; E1765-M1788 HydrophobicContact CG-CE 3.71Å; E1765-M1788 HydrophobicContact CG-SD 4.31Å |
| 1766 | H | 93.6 | Very high | 92.5 | Very high | 17.8 Ų | 17.8 | 51.4 Ų | 51.4 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 176.6 | -54.6 | 164.9 | 0 | 0 | 0 | 110.4 | M1707 D1708 L1758 R1763 F1764 V1768 A1769 F1770 | M1707-H1766 HydrophobicContact CG-CB 4.22Å; M1707-H1766 VanDerWaalsContact CG-CD2 3.43Å; M1707-H1766 WeakPolarHBondContact CG-CD2 3.36Å; M1707-H1766 WeakPolarHBondContact CG-NE2 3.42Å; M1707-H1766 HydrophobicContact SD-CB 4.4Å; D1708-H1766 IonicContact OD1-CD2 3.6Å; D1708-H1766 IonicContact OD1-CE1 3.53Å; D1708-H1766 IonicContact OD1-NE2 3.23Å; D1708-H1766 PolarHBondContact OD1-NE2 3.36Å; L1758-H1766 HydrophobicContact CD1-CB 3.92Å; L1758-H1766 HydrophobicContact CD2-CB 4.19Å; L1758-H1766 HydrophobicContact CG-CB 4.49Å; R1763-H1766 HydrophobicContact CB-CB 4.27Å; R1763-H1766 WeakPolarHBondContact CD-ND1 3.42Å; R1763-H1766 PolarHBondContact O-N 3.14Å; F1764-H1766 VanDerWaalsContact C-N 3.27Å; F1764-H1766 PolarHBondContact O-N 3.11Å; H1766-V1768 VanDerWaalsContact C-N 3.32Å; H1766-V1768 PolarHBondContact O-N 3.18Å; H1766-A1769 WeakPolarHBondContact O-CB 3.14Å; H1766-A1769 PolarHBondContact O-N 3.19Å; H1766-A1769 VanDerWaalsContact O-N 3.16Å; H1766-F1770 VanDerWaalsContact O-CD2 3.31Å; H1766-F1770 WeakPolarHBondContact O-CD2 3.42Å; H1766-F1770 PolarHBondContact O-N 3.08Å; H1766-F1770 VanDerWaalsContact O-N 3.12Å |
| 1767 | A | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1758 I1759 R1763 F1764 A1769 F1770 F1771 | L1758-A1767 HydrophobicContact CB-CB 3.82Å; I1759-A1767 HydrophobicContact CG1-CB 3.67Å; R1763-A1767 PolarHBondContact O-N 3.14Å; F1764-A1767 WeakPolarHBondContact O-CA 3.3Å; F1764-A1767 WeakPolarHBondContact O-CB 3.38Å; F1764-A1767 PolarHBondContact O-N 3.28Å; F1764-A1767 VanDerWaalsContact O-N 3.09Å; A1767-A1769 VanDerWaalsContact C-N 3.31Å; A1767-A1769 PolarHBondContact O-N 3.36Å; A1767-F1770 PolarHBondContact O-N 3.1Å; A1767-F1770 VanDerWaalsContact O-N 3.1Å; A1767-F1771 HydrophobicContact CB-CE2 4.31Å; A1767-F1771 WeakPolarHBondContact O-CD2 3.34Å; A1767-F1771 PolarHBondContact O-N 3.3Å |
| 1768 | V | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -46.2 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | L1711 F1764 H1766 F1770 F1771 L1772 A1780 V1783 M1788 I1797 | L1711-V1768 HydrophobicContact CD1-CB 3.79Å; L1711-V1768 HydrophobicContact CD1-CG1 3.43Å; L1711-V1768 HydrophobicContact CG-CG1 4.3Å; F1764-V1768 WeakPolarHBondContact O-CG2 3.36Å; F1764-V1768 PolarHBondContact O-N 3.25Å; H1766-V1768 VanDerWaalsContact C-N 3.32Å; H1766-V1768 PolarHBondContact O-N 3.18Å; V1768-F1770 VanDerWaalsContact C-N 3.3Å; V1768-F1770 PolarHBondContact O-N 3.04Å; V1768-F1771 PolarHBondContact O-N 3.14Å; V1768-F1771 VanDerWaalsContact O-N 3.15Å; V1768-L1772 HydrophobicContact CG1-CD1 4.26Å; V1768-L1772 WeakPolarHBondContact O-CG 3.28Å; V1768-L1772 PolarHBondContact O-N 3.17Å; V1768-A1780 HydrophobicContact CG1-CB 4.15Å; V1768-V1783 HydrophobicContact CG2-CB 3.91Å; V1768-V1783 HydrophobicContact CG2-CG1 3.64Å; V1768-M1788 HydrophobicContact CG2-SD 4.17Å; V1768-I1797 HydrophobicContact CG1-CD1 3.76Å |
| 1769 | A | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.2 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1710 L1711 L1714 E1765 H1766 A1767 L1772 L1773 | A1710-A1769 HydrophobicContact CB-CB 4.05Å; L1711-A1769 HydrophobicContact CB-CB 4.17Å; L1714-A1769 HydrophobicContact CD1-CB 4.07Å; L1714-A1769 VanDerWaalsContact CD1-O 3.22Å; L1714-A1769 WeakPolarHBondContact CD1-O 3.28Å; E1765-A1769 PolarHBondContact O-N 2.97Å; E1765-A1769 VanDerWaalsContact O-N 3.11Å; H1766-A1769 WeakPolarHBondContact O-CB 3.14Å; H1766-A1769 PolarHBondContact O-N 3.19Å; H1766-A1769 VanDerWaalsContact O-N 3.16Å; A1767-A1769 VanDerWaalsContact C-N 3.31Å; A1767-A1769 PolarHBondContact O-N 3.36Å; A1769-L1772 PolarHBondContact O-N 3.1Å; A1769-L1773 PolarHBondContact O-N 3.1Å |
| 1770 | F | 93.8 | Very high | 92 | Very high | 13.8 Ų | 13.8 | 47.2 Ų | 47.2 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73 | -30.9 | 178 | -82.8 | -98.2 | 0 | 0 | 0 | 113.9 | M1707 M1734 F1737 N1754 A1755 L1758 H1766 A1767 V1768 L1773 G1774 | M1707-F1770 HydrophobicContact CE-CE2 4.12Å; M1707-F1770 HydrophobicContact CE-CZ 4.39Å; M1707-F1770 HydrophobicContact SD-CE2 3.91Å; M1734-F1770 HydrophobicContact CE-CE1 4.3Å; M1734-F1770 HydrophobicContact CE-CE2 4.46Å; M1734-F1770 HydrophobicContact CE-CZ 3.63Å; M1734-F1770 HydrophobicContact SD-CZ 4.48Å; F1737-F1770 HydrophobicContact CD1-CE1 4.27Å; F1737-F1770 HydrophobicContact CE1-CD1 4.17Å; F1737-F1770 AromaticContact CE1-CE1 3.65Å; F1737-F1770 HydrophobicContact CE1-CE1 3.65Å; F1737-F1770 HydrophobicContact CZ-CE1 4.39Å; N1754-F1770 HydrophobicContact CB-CD1 3.68Å; N1754-F1770 HydrophobicContact CB-CE1 3.79Å; N1754-F1770 HydrophobicContact CB-CG 4.39Å; A1755-F1770 HydrophobicContact CB-CB 3.7Å; L1758-F1770 HydrophobicContact CD1-CD2 3.28Å; L1758-F1770 HydrophobicContact CD1-CE2 3.47Å; L1758-F1770 VanDerWaalsContact CD1-CE2 3.47Å; L1758-F1770 HydrophobicContact CD1-CG 4.01Å; L1758-F1770 HydrophobicContact CD1-CZ 4.32Å; H1766-F1770 VanDerWaalsContact O-CD2 3.31Å; H1766-F1770 WeakPolarHBondContact O-CD2 3.42Å; H1766-F1770 PolarHBondContact O-N 3.08Å; H1766-F1770 VanDerWaalsContact O-N 3.12Å; A1767-F1770 PolarHBondContact O-N 3.1Å; A1767-F1770 VanDerWaalsContact O-N 3.1Å; V1768-F1770 VanDerWaalsContact C-N 3.3Å; V1768-F1770 PolarHBondContact O-N 3.04Å; F1770-L1773 HydrophobicContact CD1-CD2 4.34Å; F1770-L1773 WeakPolarHBondContact O-CB 3.38Å; F1770-L1773 PolarHBondContact O-N 3.17Å; F1770-G1774 PolarHBondContact O-N 3.19Å |
| 1771 | F | 94.5 | Very high | 91.9 | Very high | 1.8 Ų | 1.8 | 43 Ų | 43 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 170.9 | -75.9 | -65.2 | 0 | 0 | 0 | 111.7 | L1752 A1755 F1756 I1759 A1767 V1768 L1773 G1774 N1775 A1776 D1779 A1780 V1783 | L1752-F1771 HydrophobicContact CD2-CD1 3.63Å; L1752-F1771 HydrophobicContact CD2-CE1 4.07Å; A1755-F1771 HydrophobicContact CB-CD1 3.83Å; A1755-F1771 HydrophobicContact CB-CD2 3.73Å; A1755-F1771 HydrophobicContact CB-CE1 3.7Å; A1755-F1771 HydrophobicContact CB-CE2 3.56Å; A1755-F1771 HydrophobicContact CB-CG 3.83Å; A1755-F1771 HydrophobicContact CB-CZ 3.55Å; F1756-F1771 HydrophobicContact CD1-CZ 4.17Å; F1756-F1771 HydrophobicContact CE1-CE1 4.31Å; F1756-F1771 HydrophobicContact CE1-CZ 4.02Å; F1756-F1771 HydrophobicContact CE2-CE1 4.15Å; F1756-F1771 HydrophobicContact CE2-CZ 4.5Å; F1756-F1771 HydrophobicContact CG-CZ 4.48Å; F1756-F1771 AromaticContact CZ-CE1 3.99Å; F1756-F1771 HydrophobicContact CZ-CE1 4Å; F1756-F1771 HydrophobicContact CZ-CZ 4.18Å; I1759-F1771 HydrophobicContact CD1-CE2 3.67Å; I1759-F1771 HydrophobicContact CD1-CZ 3.77Å; I1759-F1771 HydrophobicContact CG1-CE2 4.21Å; A1767-F1771 HydrophobicContact CB-CE2 4.31Å; A1767-F1771 WeakPolarHBondContact O-CD2 3.34Å; A1767-F1771 PolarHBondContact O-N 3.3Å; V1768-F1771 PolarHBondContact O-N 3.14Å; V1768-F1771 VanDerWaalsContact O-N 3.15Å; F1771-L1773 VanDerWaalsContact C-N 3.31Å; F1771-L1773 PolarHBondContact O-N 3.19Å; F1771-G1774 CarbonylContact O-C 3.56Å; F1771-G1774 WeakPolarHBondContact O-CA 3.37Å; F1771-G1774 PolarHBondContact O-N 3.21Å; F1771-G1774 VanDerWaalsContact O-N 3.12Å; F1771-N1775 PolarHBondContact O-N 3.13Å; F1771-N1775 VanDerWaalsContact O-N 3.15Å; F1771-A1776 HydrophobicContact CD1-CB 4.33Å; F1771-A1776 PolarHBondContact O-N 3.18Å; F1771-D1779 HydrophobicContact CD1-CB 3.58Å; F1771-D1779 HydrophobicContact CE1-CB 3.75Å; F1771-D1779 HydrophobicContact CG-CB 4.1Å; F1771-D1779 HydrophobicContact CZ-CB 4.41Å; F1771-A1780 HydrophobicContact CB-CB 3.6Å; F1771-A1780 HydrophobicContact CG-CB 4.49Å; F1771-V1783 HydrophobicContact CD2-CG2 4.24Å; F1771-V1783 HydrophobicContact CE2-CG2 3.79Å |
| 1772 | L | 92.1 | Very high | 91.7 | Very high | 4.2 Ų | 4.2 | 42.7 Ų | 42.7 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 173.9 | -64.2 | 175.4 | 0 | 0 | 0 | 111.4 | L1711 L1714 A1715 V1768 A1769 G1774 N1775 L1777 A1780 I1797 F1801 | L1711-L1772 HydrophobicContact CD1-CD1 4.16Å; L1714-L1772 HydrophobicContact CB-CB 4.29Å; A1715-L1772 HydrophobicContact CB-CD1 4.14Å; V1768-L1772 HydrophobicContact CG1-CD1 4.26Å; V1768-L1772 WeakPolarHBondContact O-CG 3.28Å; V1768-L1772 PolarHBondContact O-N 3.17Å; A1769-L1772 PolarHBondContact O-N 3.1Å; L1772-G1774 VanDerWaalsContact C-N 3.3Å; L1772-G1774 PolarHBondContact O-N 2.99Å; L1772-N1775 PolarHBondContact O-N 2.93Å; L1772-N1775 VanDerWaalsContact O-N 3.08Å; L1772-L1777 HydrophobicContact CD2-CD1 3.98Å; L1772-A1780 HydrophobicContact CD2-CB 3.86Å; L1772-A1780 HydrophobicContact CG-CB 4.11Å; L1772-I1797 HydrophobicContact CD1-CG2 4.41Å; L1772-I1797 HydrophobicContact CD2-CG2 3.78Å; L1772-F1801 HydrophobicContact CB-CD2 4.24Å; L1772-F1801 HydrophobicContact CB-CE2 3.89Å; L1772-F1801 HydrophobicContact CB-CZ 4.41Å; L1772-F1801 HydrophobicContact CD2-CB 4.32Å; L1772-F1801 HydrophobicContact CD2-CD1 4.1Å; L1772-F1801 HydrophobicContact CD2-CD2 3.79Å; L1772-F1801 HydrophobicContact CD2-CE1 4.38Å; L1772-F1801 HydrophobicContact CD2-CE2 4.08Å; L1772-F1801 HydrophobicContact CD2-CG 3.79Å; L1772-F1801 HydrophobicContact CD2-CZ 4.37Å; L1772-F1801 HydrophobicContact CG-CD2 4.46Å; L1772-F1801 WeakPolarHBondContact O-CE2 3.32Å; L1772-F1801 WeakPolarHBondContact O-CZ 3.38Å |
| 1773 | L | 90.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 173.7 | -173.3 | 66 | 0 | 0 | 0 | 112.7 | L1714 K1719 F1737 L1738 F1742 A1751 A1769 F1770 F1771 N1775 | L1714-L1773 HydrophobicContact CD1-CB 4.21Å; L1714-L1773 HydrophobicContact CD2-CD1 4.04Å; K1719-L1773 HydrophobicContact CD-CD1 3.8Å; K1719-L1773 HydrophobicContact CG-CD1 4.1Å; F1737-L1773 HydrophobicContact CE1-CD2 3.86Å; L1738-L1773 HydrophobicContact CD2-CD1 4.27Å; L1738-L1773 HydrophobicContact CD2-CD2 3.53Å; F1742-L1773 WeakPolarHBondContact CB-O 3.24Å; F1742-L1773 HydrophobicContact CD1-CD1 4.4Å; F1742-L1773 HydrophobicContact CD1-CD2 4.21Å; F1742-L1773 HydrophobicContact CD1-CG 3.86Å; F1742-L1773 HydrophobicContact CD2-CD1 3.66Å; F1742-L1773 HydrophobicContact CD2-CD2 4.47Å; F1742-L1773 HydrophobicContact CD2-CG 4.03Å; F1742-L1773 HydrophobicContact CE1-CD2 3.71Å; F1742-L1773 HydrophobicContact CE1-CG 3.89Å; F1742-L1773 HydrophobicContact CE2-CD1 3.82Å; F1742-L1773 HydrophobicContact CE2-CD2 4Å; F1742-L1773 HydrophobicContact CE2-CG 4.06Å; F1742-L1773 HydrophobicContact CG-CD1 3.98Å; F1742-L1773 HydrophobicContact CG-CG 3.94Å; F1742-L1773 HydrophobicContact CZ-CD1 4.26Å; F1742-L1773 HydrophobicContact CZ-CD2 3.59Å; F1742-L1773 HydrophobicContact CZ-CG 4Å; A1751-L1773 HydrophobicContact CB-CB 4.48Å; A1751-L1773 HydrophobicContact CB-CD2 4.28Å; A1751-L1773 HydrophobicContact CB-CG 4.38Å; A1769-L1773 PolarHBondContact O-N 3.1Å; F1770-L1773 HydrophobicContact CD1-CD2 4.34Å; F1770-L1773 WeakPolarHBondContact O-CB 3.38Å; F1770-L1773 PolarHBondContact O-N 3.17Å; F1771-L1773 VanDerWaalsContact C-N 3.31Å; F1771-L1773 PolarHBondContact O-N 3.19Å; L1773-N1775 PolarHBondContact O-N 2.9Å |
| 1774 | G | 88.5 | Confident | 91.6 | Very high | 4.2 Ų | 4.2 | 29.3 Ų | 29.3 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1748 F1770 F1771 L1772 A1776 | K1748-G1774 WeakPolarHBondContact CE-O 3.32Å; K1748-G1774 WeakPolarHBondContact CG-O 2.9Å; F1770-G1774 PolarHBondContact O-N 3.19Å; F1771-G1774 CarbonylContact O-C 3.56Å; F1771-G1774 WeakPolarHBondContact O-CA 3.37Å; F1771-G1774 PolarHBondContact O-N 3.21Å; F1771-G1774 VanDerWaalsContact O-N 3.12Å; L1772-G1774 VanDerWaalsContact C-N 3.3Å; L1772-G1774 PolarHBondContact O-N 2.99Å; G1774-A1776 PolarHBondContact O-N 3.34Å |
| 1775 | N | 89.5 | Confident | 91.3 | Very high | 100 Ų | 100 | 27.4 Ų | 27.4 | 54% | 0.535 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32.8 | -173.7 | -162.6 | 54.2 | 0 | 0 | 0 | 113.6 | F1771 L1772 L1773 F1801 | F1771-N1775 PolarHBondContact O-N 3.13Å; F1771-N1775 VanDerWaalsContact O-N 3.15Å; L1772-N1775 PolarHBondContact O-N 2.93Å; L1772-N1775 VanDerWaalsContact O-N 3.08Å; L1773-N1775 PolarHBondContact O-N 2.9Å; N1775-F1801 WeakPolarHBondContact OD1-CE1 3.36Å; N1775-F1801 WeakPolarHBondContact OD1-CZ 3.41Å |
| 1776 | A | 89.7 | Confident | 91.1 | Very high | 17.8 Ų | 17.8 | 29.1 Ų | 29.1 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | trans | -105.1 | 77.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1752 F1771 G1774 D1779 A1780 | L1752-A1776 HydrophobicContact CD2-CB 3.58Å; F1771-A1776 HydrophobicContact CD1-CB 4.33Å; F1771-A1776 PolarHBondContact O-N 3.18Å; G1774-A1776 PolarHBondContact O-N 3.34Å; A1776-D1779 HydrophobicContact CB-CB 4.25Å; A1776-A1780 PolarHBondContact O-N 3.07Å | ||
| 1777 | L | 88.5 | Confident | 90.9 | Very high | 15 Ų | 15 | 30.7 Ų | 30.7 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | -176.4 | 179.5 | 59.2 | 0 | 0 | 0 | 112.4 | L1772 D1779 A1780 V1781 I1797 F1798 F1801 | L1772-L1777 HydrophobicContact CD2-CD1 3.98Å; L1777-D1779 PolarHBondContact O-N 3.16Å; L1777-A1780 WeakPolarHBondContact O-CB 3.32Å; L1777-A1780 PolarHBondContact O-N 3.32Å; L1777-A1780 VanDerWaalsContact O-N 3.14Å; L1777-V1781 HydrophobicContact CD1-CG2 4.09Å; L1777-V1781 HydrophobicContact CG-CG2 4.47Å; L1777-V1781 WeakPolarHBondContact O-CG2 3.34Å; L1777-V1781 PolarHBondContact O-N 3.14Å; L1777-I1797 HydrophobicContact CD1-CG2 3.61Å; L1777-F1798 HydrophobicContact CD1-CD1 4.47Å; L1777-F1798 HydrophobicContact CD2-CD1 3.63Å; L1777-F1798 HydrophobicContact CD2-CE1 3.71Å; L1777-F1798 HydrophobicContact CG-CD1 4.08Å; L1777-F1798 HydrophobicContact CG-CE1 3.9Å; L1777-F1801 HydrophobicContact CB-CD1 4.13Å; L1777-F1801 HydrophobicContact CB-CE1 4.3Å; L1777-F1801 HydrophobicContact CD1-CB 4.08Å; L1777-F1801 HydrophobicContact CD1-CD1 3.75Å; L1777-F1801 HydrophobicContact CD1-CG 4.2Å; L1777-F1801 HydrophobicContact CD2-CD1 4.18Å; L1777-F1801 HydrophobicContact CG-CD1 4.24Å |
| 1778 | D | 88.9 | Confident | 90.6 | Very high | 84.2 Ų | 84.2 | 32.4 Ų | 32.4 | 45% | 0.45 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.7 | -39.6 | -174.9 | -53.6 | -45.8 | 0 | 0 | 0 | 111.4 | A1780 V1781 K1782 R1811 | D1778-A1780 VanDerWaalsContact C-N 3.34Å; D1778-V1781 PolarHBondContact O-N 2.94Å; D1778-K1782 VanDerWaalsContact O-CB 3.29Å; D1778-K1782 WeakPolarHBondContact O-CB 3.26Å; D1778-K1782 PolarHBondContact O-N 3.16Å; D1778-R1811 VanDerWaalsContact CG-NH1 3.28Å; D1778-R1811 IonicContact OD1-CZ 3.86Å; D1778-R1811 IonicContact OD1-NH1 2.96Å; D1778-R1811 PolarHBondContact OD1-NH1 3.32Å; D1778-R1811 IonicContact OD2-CZ 3.62Å; D1778-R1811 IonicContact OD2-NH1 2.9Å; D1778-R1811 PolarHBondContact OD2-NH1 3.23Å |
| 1779 | D | 90.7 | Very high | 90.3 | Very high | 70.2 Ų | 70.2 | 38.1 Ų | 38.1 | 38% | 0.375 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 172.7 | -69.1 | -36.7 | 0 | 0 | 0 | 111.7 | F1771 A1776 L1777 K1782 V1783 | F1771-D1779 HydrophobicContact CD1-CB 3.58Å; F1771-D1779 HydrophobicContact CE1-CB 3.75Å; F1771-D1779 HydrophobicContact CG-CB 4.1Å; F1771-D1779 HydrophobicContact CZ-CB 4.41Å; A1776-D1779 HydrophobicContact CB-CB 4.25Å; L1777-D1779 PolarHBondContact O-N 3.16Å; D1779-K1782 PolarHBondContact O-N 3.04Å; D1779-V1783 WeakPolarHBondContact O-CG2 3.32Å; D1779-V1783 PolarHBondContact O-N 3.12Å; D1779-V1783 VanDerWaalsContact O-N 3.12Å |
| 1780 | A | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1768 F1771 L1772 A1776 L1777 D1778 V1783 C1784 | V1768-A1780 HydrophobicContact CG1-CB 4.15Å; F1771-A1780 HydrophobicContact CB-CB 3.6Å; F1771-A1780 HydrophobicContact CG-CB 4.49Å; L1772-A1780 HydrophobicContact CD2-CB 3.86Å; L1772-A1780 HydrophobicContact CG-CB 4.11Å; A1776-A1780 PolarHBondContact O-N 3.07Å; L1777-A1780 WeakPolarHBondContact O-CB 3.32Å; L1777-A1780 PolarHBondContact O-N 3.32Å; L1777-A1780 VanDerWaalsContact O-N 3.14Å; D1778-A1780 VanDerWaalsContact C-N 3.34Å; A1780-V1783 PolarHBondContact O-N 2.95Å; A1780-C1784 PolarHBondContact O-N 3.12Å; A1780-C1784 VanDerWaalsContact O-N 3.16Å; A1780-C1784 PolarHBondContact O-SG 3.11Å |
| 1781 | V | 89.9 | Confident | 90 | Very high | 4.8 Ų | 4.8 | 39.5 Ų | 39.5 | 3% | 0.029 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -42.2 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | L1777 D1778 V1783 C1784 L1785 A1794 I1797 F1798 L1815 | L1777-V1781 HydrophobicContact CD1-CG2 4.09Å; L1777-V1781 HydrophobicContact CG-CG2 4.47Å; L1777-V1781 WeakPolarHBondContact O-CG2 3.34Å; L1777-V1781 PolarHBondContact O-N 3.14Å; D1778-V1781 PolarHBondContact O-N 2.94Å; V1781-V1783 VanDerWaalsContact C-N 3.25Å; V1781-V1783 PolarHBondContact O-N 3.27Å; V1781-C1784 WeakPolarHBondContact O-CA 3.29Å; V1781-C1784 VanDerWaalsContact O-CB 3.31Å; V1781-C1784 WeakPolarHBondContact O-CB 3.36Å; V1781-C1784 PolarHBondContact O-N 3.14Å; V1781-L1785 HydrophobicContact CG1-CD1 3.94Å; V1781-L1785 HydrophobicContact CG1-CG 4.32Å; V1781-L1785 WeakPolarHBondContact O-CG 3.47Å; V1781-L1785 PolarHBondContact O-N 3.09Å; V1781-A1794 HydrophobicContact CG1-CB 3.73Å; V1781-I1797 HydrophobicContact CG2-CG2 4.22Å; V1781-F1798 HydrophobicContact CB-CD2 4.44Å; V1781-F1798 HydrophobicContact CB-CE2 3.88Å; V1781-F1798 HydrophobicContact CB-CZ 4.17Å; V1781-F1798 HydrophobicContact CG1-CD2 4.05Å; V1781-F1798 HydrophobicContact CG1-CE2 3.38Å; V1781-F1798 VanDerWaalsContact CG1-CE2 3.42Å; V1781-F1798 HydrophobicContact CG1-CZ 4.07Å; V1781-F1798 HydrophobicContact CG2-CD1 4.47Å; V1781-F1798 HydrophobicContact CG2-CD2 3.77Å; V1781-F1798 HydrophobicContact CG2-CE1 4.34Å; V1781-F1798 HydrophobicContact CG2-CE2 3.56Å; V1781-F1798 HydrophobicContact CG2-CG 4.29Å; V1781-F1798 HydrophobicContact CG2-CZ 3.84Å; V1781-L1815 HydrophobicContact CG1-CD1 4.14Å; V1781-L1815 HydrophobicContact CG1-CD2 4.45Å |
| 1782 | K | 90.3 | Very high | 90 | Very high | 123.6 Ų | 123.6 | 40.4 Ų | 40.4 | 54% | 0.537 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.6 | -40.4 | 174.8 | -175.2 | 173 | -177.6 | 175.9 | 0 | 112.4 | D1778 D1779 C1784 L1785 D1786 | D1778-K1782 VanDerWaalsContact O-CB 3.29Å; D1778-K1782 WeakPolarHBondContact O-CB 3.26Å; D1778-K1782 PolarHBondContact O-N 3.16Å; D1779-K1782 PolarHBondContact O-N 3.04Å; K1782-C1784 VanDerWaalsContact C-N 3.34Å; K1782-C1784 PolarHBondContact O-N 3.37Å; K1782-L1785 PolarHBondContact O-N 3.28Å; K1782-D1786 WeakPolarHBondContact CE-OD2 3.28Å; K1782-D1786 VanDerWaalsContact CG-OD2 3.24Å; K1782-D1786 WeakPolarHBondContact CG-OD2 3.32Å; K1782-D1786 WeakPolarHBondContact O-CB 3.42Å; K1782-D1786 PolarHBondContact O-N 3.07Å |
| 1783 | V | 91.8 | Very high | 90 | Very high | 10.2 Ų | 10.2 | 40.2 Ų | 40.2 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 112 | I1759 F1764 V1768 F1771 D1779 A1780 V1781 L1785 S1787 M1788 | I1759-V1783 HydrophobicContact CD1-CG2 3.74Å; I1759-V1783 HydrophobicContact CG1-CG2 4.31Å; F1764-V1783 HydrophobicContact CB-CG1 4.17Å; F1764-V1783 HydrophobicContact CD1-CG1 4.42Å; V1768-V1783 HydrophobicContact CG2-CB 3.91Å; V1768-V1783 HydrophobicContact CG2-CG1 3.64Å; F1771-V1783 HydrophobicContact CD2-CG2 4.24Å; F1771-V1783 HydrophobicContact CE2-CG2 3.79Å; D1779-V1783 WeakPolarHBondContact O-CG2 3.32Å; D1779-V1783 PolarHBondContact O-N 3.12Å; D1779-V1783 VanDerWaalsContact O-N 3.12Å; A1780-V1783 PolarHBondContact O-N 2.95Å; V1781-V1783 VanDerWaalsContact C-N 3.25Å; V1781-V1783 PolarHBondContact O-N 3.27Å; V1783-L1785 VanDerWaalsContact C-N 3.31Å; V1783-L1785 PolarHBondContact O-N 3.16Å; V1783-S1787 WeakPolarHBondContact O-CB 3.37Å; V1783-S1787 PolarHBondContact O-N 3.06Å; V1783-M1788 PolarHBondContact O-N 3.1Å |
| 1784 | C | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.2 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | A1780 V1781 K1782 M1788 N1789 D1790 A1794 | A1780-C1784 PolarHBondContact O-N 3.12Å; A1780-C1784 VanDerWaalsContact O-N 3.16Å; A1780-C1784 PolarHBondContact O-SG 3.11Å; V1781-C1784 WeakPolarHBondContact O-CA 3.29Å; V1781-C1784 VanDerWaalsContact O-CB 3.31Å; V1781-C1784 WeakPolarHBondContact O-CB 3.36Å; V1781-C1784 PolarHBondContact O-N 3.14Å; K1782-C1784 VanDerWaalsContact C-N 3.34Å; K1782-C1784 PolarHBondContact O-N 3.37Å; C1784-M1788 CarbonylContact O-C 3.51Å; C1784-M1788 WeakPolarHBondContact O-CB 3.32Å; C1784-M1788 PolarHBondContact O-N 2.84Å; C1784-N1789 PolarHBondContact O-N 3.02Å; C1784-D1790 PolarHBondContact O-N 3.04Å; C1784-A1794 HydrophobicContact CB-CB 4.11Å |
| 1785 | L | 88.6 | Confident | 90 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.2 | -57.4 | 179.8 | -59.1 | 167.2 | 0 | 0 | 0 | 111.4 | V1781 K1782 V1783 N1789 I1791 A1794 L1815 E1819 | V1781-L1785 HydrophobicContact CG1-CD1 3.94Å; V1781-L1785 HydrophobicContact CG1-CG 4.32Å; V1781-L1785 WeakPolarHBondContact O-CG 3.47Å; V1781-L1785 PolarHBondContact O-N 3.09Å; K1782-L1785 PolarHBondContact O-N 3.28Å; V1783-L1785 VanDerWaalsContact C-N 3.31Å; V1783-L1785 PolarHBondContact O-N 3.16Å; L1785-N1789 VanDerWaalsContact O-CA 3.29Å; L1785-N1789 WeakPolarHBondContact O-CA 3.26Å; L1785-N1789 PolarHBondContact O-N 3.2Å; L1785-I1791 HydrophobicContact CD2-CB 4.47Å; L1785-I1791 HydrophobicContact CD2-CG1 4.06Å; L1785-A1794 HydrophobicContact CD2-CB 3.89Å; L1785-A1794 HydrophobicContact CG-CB 4.28Å; L1785-L1815 HydrophobicContact CD1-CD1 3.37Å; L1785-L1815 HydrophobicContact CD2-CD1 4.12Å; L1785-L1815 HydrophobicContact CG-CD1 4.28Å; L1785-E1819 HydrophobicContact CD1-CG 4Å; L1785-E1819 HydrophobicContact CD2-CG 4.06Å |
| 1786 | D | 88.5 | Confident | 90.1 | Very high | 110.8 Ų | 110.8 | 34.7 Ų | 34.7 | 59% | 0.593 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -71.3 | -42.6 | -171 | -67.7 | -16.4 | 0 | 0 | 0 | 112.3 | K1782 | K1782-D1786 WeakPolarHBondContact CE-OD2 3.28Å; K1782-D1786 VanDerWaalsContact CG-OD2 3.24Å; K1782-D1786 WeakPolarHBondContact CG-OD2 3.32Å; K1782-D1786 WeakPolarHBondContact O-CB 3.42Å; K1782-D1786 PolarHBondContact O-N 3.07Å |
| 1787 | S | 88.9 | Confident | 90.1 | Very high | 50.8 Ų | 50.8 | 33.8 Ų | 33.8 | 36% | 0.355 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -35.6 | -169.9 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | F1764 V1783 | F1764-S1787 VanDerWaalsContact CD1-CB 3.43Å; V1783-S1787 WeakPolarHBondContact O-CB 3.37Å; V1783-S1787 PolarHBondContact O-N 3.06Å |
| 1788 | M | 88 | Confident | 90 | Very high | 36.2 Ų | 36.2 | 33.6 Ų | 33.6 | 18% | 0.178 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -13.2 | 179.4 | -59.7 | 175.5 | 58.9 | 0 | 0 | 113.2 | F1764 E1765 V1768 V1783 C1784 D1790 L1793 | F1764-M1788 HydrophobicContact CB-CG 3.61Å; F1764-M1788 HydrophobicContact CB-SD 4.05Å; F1764-M1788 HydrophobicContact CG-CG 4.4Å; E1765-M1788 HydrophobicContact CG-CE 3.71Å; E1765-M1788 HydrophobicContact CG-SD 4.31Å; V1768-M1788 HydrophobicContact CG2-SD 4.17Å; V1783-M1788 PolarHBondContact O-N 3.1Å; C1784-M1788 CarbonylContact O-C 3.51Å; C1784-M1788 WeakPolarHBondContact O-CB 3.32Å; C1784-M1788 PolarHBondContact O-N 2.84Å; M1788-D1790 HydrophobicContact CB-CB 4.23Å; M1788-D1790 PolarHBondContact O-N 3.26Å; M1788-D1790 VanDerWaalsContact O-N 3.16Å; M1788-L1793 HydrophobicContact CE-CD2 3.49Å; M1788-L1793 VanDerWaalsContact CE-CD2 3.48Å; M1788-L1793 HydrophobicContact SD-CD2 4.26Å |
| 1789 | N | 87.6 | Confident | 90 | Very high | 119.8 Ų | 119.8 | 31.5 Ų | 31.5 | 64% | 0.641 | 16% | 0.162 | S | C | * | . | trans | 48 | 41 | -173.8 | -163.9 | 36.4 | 0 | 0 | 0 | 111.9 | R1674 C1784 L1785 | R1674-N1789 PolarHBondContact NH2-O 3.08Å; C1784-N1789 PolarHBondContact O-N 3.02Å; L1785-N1789 VanDerWaalsContact O-CA 3.29Å; L1785-N1789 WeakPolarHBondContact O-CA 3.26Å; L1785-N1789 PolarHBondContact O-N 3.2Å | ||
| 1790 | D | 90.6 | Very high | 89.9 | Confident | 1.8 Ų | 1.8 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -118.4 | 85.7 | -175.1 | -162 | -20.3 | 0 | 0 | 0 | 111.7 | W1670 R1674 C1784 M1788 Q1792 L1793 A1794 | W1670-D1790 PolarHBondContact NE1-OD2 3.11Å; R1674-D1790 WeakPolarHBondContact CD-OD2 3.4Å; R1674-D1790 VanDerWaalsContact CZ-CG 3.42Å; R1674-D1790 IonicContact CZ-OD1 3.22Å; R1674-D1790 IonicContact CZ-OD2 3.66Å; R1674-D1790 IonicContact NE-OD1 3.11Å; R1674-D1790 IonicContact NE-OD2 3.06Å; R1674-D1790 IonicContact NH1-OD1 3.34Å; R1674-D1790 IonicContact NH1-OD2 3.56Å; R1674-D1790 PolarHBondContact NH1-OD2 3.2Å; C1784-D1790 PolarHBondContact O-N 3.04Å; M1788-D1790 HydrophobicContact CB-CB 4.23Å; M1788-D1790 PolarHBondContact O-N 3.26Å; M1788-D1790 VanDerWaalsContact O-N 3.16Å; D1790-Q1792 VanDerWaalsContact C-N 3.32Å; D1790-Q1792 PolarHBondContact O-N 3.1Å; D1790-Q1792 PolarHBondContact OD1-N 3.04Å; D1790-L1793 HydrophobicContact CB-CB 3.88Å; D1790-L1793 PolarHBondContact O-N 3.1Å; D1790-L1793 WeakPolarHBondContact OD1-CB 3.25Å; D1790-L1793 PolarHBondContact OD1-N 3.12Å; D1790-L1793 WeakPolarHBondContact OD2-CB 3.33Å; D1790-A1794 PolarHBondContact O-N 3.13Å; D1790-A1794 VanDerWaalsContact O-N 3.14Å | ||
| 1791 | I | 90.3 | Very high | 89.6 | Confident | 40.6 Ų | 40.6 | 29 Ų | 29 | 21% | 0.208 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 177.7 | -55.1 | 170.7 | 0 | 0 | 0 | 110.7 | W1680 L1785 L1793 A1794 V1795 V1820 | W1680-I1791 HydrophobicContact CH2-CG2 3.67Å; W1680-I1791 HydrophobicContact CZ2-CB 4.37Å; W1680-I1791 HydrophobicContact CZ2-CG2 3.99Å; L1785-I1791 HydrophobicContact CD2-CB 4.47Å; L1785-I1791 HydrophobicContact CD2-CG1 4.06Å; I1791-L1793 VanDerWaalsContact C-N 3.33Å; I1791-L1793 PolarHBondContact O-N 3.2Å; I1791-A1794 WeakPolarHBondContact O-CB 3.37Å; I1791-A1794 PolarHBondContact O-N 3.13Å; I1791-V1795 HydrophobicContact CG2-CG2 4.37Å; I1791-V1795 WeakPolarHBondContact O-CG2 3.43Å; I1791-V1795 PolarHBondContact O-N 3.26Å; I1791-V1820 HydrophobicContact CG2-CG2 4.4Å |
| 1792 | Q | 92.9 | Very high | 89 | Confident | 20.8 Ų | 20.8 | 30.3 Ų | 30.3 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 179.7 | -74.5 | -172.7 | 65.6 | 0 | 0 | 111.1 | W1670 R1674 G1677 G1679 W1680 D1790 V1795 V1796 | W1670-Q1792 HydrophobicContact CH2-CB 4.49Å; W1670-Q1792 HydrophobicContact CZ2-CB 4.14Å; R1674-Q1792 PolarHBondContact O-NE2 3.23Å; G1677-Q1792 VanDerWaalsContact C-OE1 3.29Å; G1679-Q1792 VanDerWaalsContact N-OE1 3.11Å; W1680-Q1792 VanDerWaalsContact CD1-CD 3.47Å; W1680-Q1792 HydrophobicContact CD2-CG 4.15Å; W1680-Q1792 HydrophobicContact CG-CG 4.14Å; W1680-Q1792 HydrophobicContact CZ2-CG 4.16Å; W1680-Q1792 VanDerWaalsContact NE1-CG 3.26Å; D1790-Q1792 VanDerWaalsContact C-N 3.32Å; D1790-Q1792 PolarHBondContact O-N 3.1Å; D1790-Q1792 PolarHBondContact OD1-N 3.04Å; Q1792-V1795 PolarHBondContact O-N 3.02Å; Q1792-V1796 WeakPolarHBondContact O-CG2 3.42Å; Q1792-V1796 PolarHBondContact O-N 3Å |
| 1793 | L | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 177.3 | -177.5 | 60.9 | 0 | 0 | 0 | 111.3 | W1670 F1692 L1711 M1788 D1790 I1791 V1795 V1796 I1797 | W1670-L1793 HydrophobicContact CD2-CD1 4.48Å; W1670-L1793 HydrophobicContact CZ2-CB 3.79Å; W1670-L1793 HydrophobicContact CZ2-CD1 4.05Å; F1692-L1793 HydrophobicContact CE1-CD1 4.48Å; F1692-L1793 HydrophobicContact CZ-CD1 4.44Å; L1711-L1793 HydrophobicContact CD1-CD2 4.39Å; L1711-L1793 HydrophobicContact CD2-CD1 4.23Å; L1711-L1793 HydrophobicContact CD2-CD2 4.21Å; M1788-L1793 HydrophobicContact CE-CD2 3.49Å; M1788-L1793 VanDerWaalsContact CE-CD2 3.48Å; M1788-L1793 HydrophobicContact SD-CD2 4.26Å; D1790-L1793 HydrophobicContact CB-CB 3.88Å; D1790-L1793 PolarHBondContact O-N 3.1Å; D1790-L1793 WeakPolarHBondContact OD1-CB 3.25Å; D1790-L1793 PolarHBondContact OD1-N 3.12Å; D1790-L1793 WeakPolarHBondContact OD2-CB 3.33Å; I1791-L1793 VanDerWaalsContact C-N 3.33Å; I1791-L1793 PolarHBondContact O-N 3.2Å; L1793-V1795 PolarHBondContact O-N 3.15Å; L1793-V1796 PolarHBondContact O-N 3.26Å; L1793-I1797 HydrophobicContact CD1-CD1 4.02Å; L1793-I1797 HydrophobicContact CD1-CG1 4.17Å; L1793-I1797 HydrophobicContact CD2-CD1 4.47Å; L1793-I1797 HydrophobicContact CG-CD1 3.81Å; L1793-I1797 HydrophobicContact CG-CG1 4.37Å; L1793-I1797 WeakPolarHBondContact O-CB 3.31Å; L1793-I1797 VanDerWaalsContact O-CG1 3.27Å; L1793-I1797 WeakPolarHBondContact O-CG1 3.35Å; L1793-I1797 PolarHBondContact O-N 2.87Å |
| 1794 | A | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V1781 C1784 L1785 D1790 I1791 V1796 I1797 F1798 L1815 | V1781-A1794 HydrophobicContact CG1-CB 3.73Å; C1784-A1794 HydrophobicContact CB-CB 4.11Å; L1785-A1794 HydrophobicContact CD2-CB 3.89Å; L1785-A1794 HydrophobicContact CG-CB 4.28Å; D1790-A1794 PolarHBondContact O-N 3.13Å; D1790-A1794 VanDerWaalsContact O-N 3.14Å; I1791-A1794 WeakPolarHBondContact O-CB 3.37Å; I1791-A1794 PolarHBondContact O-N 3.13Å; A1794-V1796 PolarHBondContact O-N 3.19Å; A1794-I1797 PolarHBondContact O-N 3.03Å; A1794-F1798 WeakPolarHBondContact O-CD2 3.29Å; A1794-F1798 PolarHBondContact O-N 3.19Å; A1794-L1815 HydrophobicContact CB-CD2 4.13Å |
| 1795 | V | 89.5 | Confident | 86.4 | Confident | 1.4 Ų | 1.4 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.6 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | W1680 I1791 Q1792 L1793 F1798 R1799 L1812 L1815 L1816 | W1680-V1795 HydrophobicContact CH2-CG2 4.48Å; W1680-V1795 HydrophobicContact CZ3-CG2 4.25Å; I1791-V1795 HydrophobicContact CG2-CG2 4.37Å; I1791-V1795 WeakPolarHBondContact O-CG2 3.43Å; I1791-V1795 PolarHBondContact O-N 3.26Å; Q1792-V1795 PolarHBondContact O-N 3.02Å; L1793-V1795 PolarHBondContact O-N 3.15Å; V1795-F1798 PolarHBondContact O-N 2.98Å; V1795-R1799 WeakPolarHBondContact O-CG 3.36Å; V1795-R1799 PolarHBondContact O-N 3.13Å; V1795-R1799 VanDerWaalsContact O-N 3.12Å; V1795-L1812 HydrophobicContact CB-CD1 4.29Å; V1795-L1812 HydrophobicContact CG1-CD1 4.03Å; V1795-L1812 HydrophobicContact CG2-CD1 3.99Å; V1795-L1815 HydrophobicContact CG2-CD2 4.09Å; V1795-L1816 HydrophobicContact CG2-CD2 3.87Å |
| 1796 | V | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 179.8 | 169.9 | 0 | 0 | 0 | 0 | 112 | W1670 L1688 F1692 Q1792 L1793 A1794 R1799 L1800 | W1670-V1796 HydrophobicContact CH2-CG2 4.03Å; L1688-V1796 HydrophobicContact CD1-CG1 3.96Å; L1688-V1796 HydrophobicContact CD1-CG2 4.26Å; L1688-V1796 HydrophobicContact CD2-CG1 4Å; L1688-V1796 HydrophobicContact CD2-CG2 4.5Å; L1688-V1796 HydrophobicContact CG-CG1 4.23Å; F1692-V1796 HydrophobicContact CD2-CG1 4.32Å; F1692-V1796 HydrophobicContact CE1-CG1 3.73Å; F1692-V1796 HydrophobicContact CE2-CG1 3.5Å; F1692-V1796 VanDerWaalsContact CE2-CG1 3.47Å; F1692-V1796 HydrophobicContact CZ-CB 4.15Å; F1692-V1796 HydrophobicContact CZ-CG1 3.17Å; Q1792-V1796 WeakPolarHBondContact O-CG2 3.42Å; Q1792-V1796 PolarHBondContact O-N 3Å; L1793-V1796 PolarHBondContact O-N 3.26Å; A1794-V1796 PolarHBondContact O-N 3.19Å; V1796-R1799 PolarHBondContact O-N 3.22Å; V1796-L1800 HydrophobicContact CG1-CD1 3.63Å; V1796-L1800 HydrophobicContact CG1-CG 4.09Å; V1796-L1800 WeakPolarHBondContact O-CB 3.36Å; V1796-L1800 WeakPolarHBondContact O-CG 3.4Å; V1796-L1800 PolarHBondContact O-N 3.23Å |
| 1797 | I | 90.1 | Very high | 85.2 | Confident | 0.2 Ų | 0.2 | 41.4 Ų | 41.4 | 0% | 0.001 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.2 | -73.7 | 171.6 | 0 | 0 | 0 | 110.5 | L1711 A1715 V1768 L1772 L1777 V1781 L1793 A1794 R1799 L1800 F1801 | L1711-I1797 HydrophobicContact CD1-CD1 4.24Å; A1715-I1797 HydrophobicContact CB-CG1 4.47Å; V1768-I1797 HydrophobicContact CG1-CD1 3.76Å; L1772-I1797 HydrophobicContact CD1-CG2 4.41Å; L1772-I1797 HydrophobicContact CD2-CG2 3.78Å; L1777-I1797 HydrophobicContact CD1-CG2 3.61Å; V1781-I1797 HydrophobicContact CG2-CG2 4.22Å; L1793-I1797 HydrophobicContact CD1-CD1 4.02Å; L1793-I1797 HydrophobicContact CD1-CG1 4.17Å; L1793-I1797 HydrophobicContact CD2-CD1 4.47Å; L1793-I1797 HydrophobicContact CG-CD1 3.81Å; L1793-I1797 HydrophobicContact CG-CG1 4.37Å; L1793-I1797 WeakPolarHBondContact O-CB 3.31Å; L1793-I1797 VanDerWaalsContact O-CG1 3.27Å; L1793-I1797 WeakPolarHBondContact O-CG1 3.35Å; L1793-I1797 PolarHBondContact O-N 2.87Å; A1794-I1797 PolarHBondContact O-N 3.03Å; I1797-R1799 VanDerWaalsContact C-N 3.28Å; I1797-R1799 PolarHBondContact O-N 2.93Å; I1797-L1800 PolarHBondContact O-N 3.04Å; I1797-F1801 HydrophobicContact CG2-CB 4.48Å; I1797-F1801 VanDerWaalsContact O-CB 3.24Å; I1797-F1801 WeakPolarHBondContact O-CB 3.36Å; I1797-F1801 PolarHBondContact O-N 3.33Å |
| 1798 | F | 87.4 | Confident | 84.7 | Confident | 10.2 Ų | 10.2 | 39.6 Ų | 39.6 | 5% | 0.045 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.4 | -43.6 | 174.8 | -93.2 | -60 | 0 | 0 | 0 | 112.1 | L1777 V1781 A1794 V1795 S1802 R1811 L1815 | L1777-F1798 HydrophobicContact CD1-CD1 4.47Å; L1777-F1798 HydrophobicContact CD2-CD1 3.63Å; L1777-F1798 HydrophobicContact CD2-CE1 3.71Å; L1777-F1798 HydrophobicContact CG-CD1 4.08Å; L1777-F1798 HydrophobicContact CG-CE1 3.9Å; V1781-F1798 HydrophobicContact CB-CD2 4.44Å; V1781-F1798 HydrophobicContact CB-CE2 3.88Å; V1781-F1798 HydrophobicContact CB-CZ 4.17Å; V1781-F1798 HydrophobicContact CG1-CD2 4.05Å; V1781-F1798 HydrophobicContact CG1-CE2 3.38Å; V1781-F1798 VanDerWaalsContact CG1-CE2 3.42Å; V1781-F1798 HydrophobicContact CG1-CZ 4.07Å; V1781-F1798 HydrophobicContact CG2-CD1 4.47Å; V1781-F1798 HydrophobicContact CG2-CD2 3.77Å; V1781-F1798 HydrophobicContact CG2-CE1 4.34Å; V1781-F1798 HydrophobicContact CG2-CE2 3.56Å; V1781-F1798 HydrophobicContact CG2-CG 4.29Å; V1781-F1798 HydrophobicContact CG2-CZ 3.84Å; A1794-F1798 WeakPolarHBondContact O-CD2 3.29Å; A1794-F1798 PolarHBondContact O-N 3.19Å; V1795-F1798 PolarHBondContact O-N 2.98Å; F1798-S1802 VanDerWaalsContact O-CB 3.29Å; F1798-S1802 WeakPolarHBondContact O-CB 3.36Å; F1798-S1802 PolarHBondContact O-N 3.08Å; F1798-S1802 PolarHBondContact O-OG 3.09Å; F1798-R1811 HydrophobicContact CD1-CB 4.44Å; F1798-R1811 HydrophobicContact CE1-CB 3.94Å; F1798-R1811 HydrophobicContact CZ-CB 4.37Å; F1798-L1815 HydrophobicContact CD2-CD2 3.71Å; F1798-L1815 HydrophobicContact CE2-CB 4.21Å; F1798-L1815 HydrophobicContact CE2-CD1 4.43Å; F1798-L1815 HydrophobicContact CE2-CD2 3.78Å; F1798-L1815 HydrophobicContact CE2-CG 4.37Å |
| 1799 | R | 87.7 | Confident | 84.3 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 15% | 0.151 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.9 | -32.4 | -178.7 | -69.1 | 174.4 | 63.8 | -155.1 | -9.4 | 113.8 | L1682 K1683 V1795 V1796 I1797 L1812 Y1850 | L1682-R1799 VanDerWaalsContact O-CZ 3.24Å; L1682-R1799 PolarHBondContact O-NH1 3.28Å; L1682-R1799 PolarHBondContact O-NH2 3.19Å; K1683-R1799 VanDerWaalsContact CA-NH2 3.32Å; K1683-R1799 PolarHBondContact O-NH2 3.13Å; V1795-R1799 WeakPolarHBondContact O-CG 3.36Å; V1795-R1799 PolarHBondContact O-N 3.13Å; V1795-R1799 VanDerWaalsContact O-N 3.12Å; V1796-R1799 PolarHBondContact O-N 3.22Å; I1797-R1799 VanDerWaalsContact C-N 3.28Å; I1797-R1799 PolarHBondContact O-N 2.93Å; R1799-L1812 HydrophobicContact CG-CD2 4.19Å; R1799-Y1850 PolarHBondContact NH1-OH 3.11Å |
| 1800 | L | 88.4 | Confident | 84 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -86.7 | -38.9 | -179.1 | -71.9 | 179.5 | 0 | 0 | 0 | 113.5 | V1685 L1688 R1689 F1692 A1715 M1716 V1796 I1797 | V1685-L1800 HydrophobicContact CG1-CD2 4.06Å; L1688-L1800 HydrophobicContact CB-CD2 4.43Å; L1688-L1800 HydrophobicContact CD2-CD1 4.48Å; L1688-L1800 HydrophobicContact CD2-CD2 3.95Å; L1688-L1800 HydrophobicContact CD2-CG 4Å; L1688-L1800 HydrophobicContact CG-CD1 4.28Å; L1688-L1800 HydrophobicContact CG-CD2 3.95Å; L1688-L1800 HydrophobicContact CG-CG 4.21Å; R1689-L1800 HydrophobicContact CB-CD2 4.49Å; R1689-L1800 HydrophobicContact CG-CD2 3.5Å; R1689-L1800 VanDerWaalsContact CG-CD2 3.49Å; F1692-L1800 HydrophobicContact CB-CD1 4.31Å; F1692-L1800 HydrophobicContact CD1-CD1 3.57Å; F1692-L1800 HydrophobicContact CD2-CD1 4.19Å; F1692-L1800 HydrophobicContact CE1-CD1 3.93Å; F1692-L1800 HydrophobicContact CG-CD1 3.73Å; F1692-L1800 HydrophobicContact CZ-CD1 4.43Å; A1715-L1800 HydrophobicContact CB-CD1 4.47Å; A1715-L1800 CarbonylContact O-C 3.54Å; A1715-L1800 WeakPolarHBondContact O-CB 3.34Å; M1716-L1800 HydrophobicContact CG-CD1 4.3Å; V1796-L1800 HydrophobicContact CG1-CD1 3.63Å; V1796-L1800 HydrophobicContact CG1-CG 4.09Å; V1796-L1800 WeakPolarHBondContact O-CB 3.36Å; V1796-L1800 WeakPolarHBondContact O-CG 3.4Å; V1796-L1800 PolarHBondContact O-N 3.23Å; I1797-L1800 PolarHBondContact O-N 3.04Å |
| 1801 | F | 85.6 | Confident | 83.6 | Confident | 13.4 Ų | 13.4 | 45.3 Ų | 45.3 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -90.6 | -25.5 | -169.6 | -170.4 | -94.3 | 0 | 0 | 0 | 113.7 | L1714 A1715 K1717 L1772 N1775 L1777 I1797 S1803 | L1714-F1801 WeakPolarHBondContact O-CD2 3.39Å; A1715-F1801 WeakPolarHBondContact O-CA 3.37Å; A1715-F1801 PolarHBondContact O-N 2.95Å; K1717-F1801 WeakPolarHBondContact CE-O 3.27Å; K1717-F1801 HydrophobicContact CG-CD2 4.21Å; K1717-F1801 HydrophobicContact CG-CE2 4.27Å; K1717-F1801 PolarHBondContact NZ-O 2.96Å; L1772-F1801 HydrophobicContact CB-CD2 4.24Å; L1772-F1801 HydrophobicContact CB-CE2 3.89Å; L1772-F1801 HydrophobicContact CB-CZ 4.41Å; L1772-F1801 HydrophobicContact CD2-CB 4.32Å; L1772-F1801 HydrophobicContact CD2-CD1 4.1Å; L1772-F1801 HydrophobicContact CD2-CD2 3.79Å; L1772-F1801 HydrophobicContact CD2-CE1 4.38Å; L1772-F1801 HydrophobicContact CD2-CE2 4.08Å; L1772-F1801 HydrophobicContact CD2-CG 3.79Å; L1772-F1801 HydrophobicContact CD2-CZ 4.37Å; L1772-F1801 HydrophobicContact CG-CD2 4.46Å; L1772-F1801 WeakPolarHBondContact O-CE2 3.32Å; L1772-F1801 WeakPolarHBondContact O-CZ 3.38Å; N1775-F1801 WeakPolarHBondContact OD1-CE1 3.36Å; N1775-F1801 WeakPolarHBondContact OD1-CZ 3.41Å; L1777-F1801 HydrophobicContact CB-CD1 4.13Å; L1777-F1801 HydrophobicContact CB-CE1 4.3Å; L1777-F1801 HydrophobicContact CD1-CB 4.08Å; L1777-F1801 HydrophobicContact CD1-CD1 3.75Å; L1777-F1801 HydrophobicContact CD1-CG 4.2Å; L1777-F1801 HydrophobicContact CD2-CD1 4.18Å; L1777-F1801 HydrophobicContact CG-CD1 4.24Å; I1797-F1801 HydrophobicContact CG2-CB 4.48Å; I1797-F1801 VanDerWaalsContact O-CB 3.24Å; I1797-F1801 WeakPolarHBondContact O-CB 3.36Å; I1797-F1801 PolarHBondContact O-N 3.33Å; F1801-S1803 PolarHBondContact O-N 2.72Å |
| 1802 | S | 77.7 | Confident | 83.4 | Confident | 31.2 Ų | 31.2 | 44.4 Ų | 44.4 | 22% | 0.218 | 24% | 0.238 | C | C | . | . | trans | -64.9 | 142.1 | -178.4 | -126.9 | 0 | 0 | 0 | 0 | 112 | K1717 F1798 D1804 A1808 | K1717-S1802 PolarHBondContact NZ-O 3.36Å; F1798-S1802 VanDerWaalsContact O-CB 3.29Å; F1798-S1802 WeakPolarHBondContact O-CB 3.36Å; F1798-S1802 PolarHBondContact O-N 3.08Å; F1798-S1802 PolarHBondContact O-OG 3.09Å; S1802-D1804 PolarHBondContact OG-N 2.85Å; S1802-D1804 PolarHBondContact OG-O 3.07Å; S1802-D1804 VanDerWaalsContact OG-O 3.06Å; S1802-A1808 VanDerWaalsContact OG-CB 3.3Å; S1802-A1808 WeakPolarHBondContact OG-CB 3.42Å | ||
| 1803 | S | 70.6 | Confident | 83 | Confident | 106.8 Ų | 106.8 | 46.1 Ų | 46.1 | 75% | 0.747 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -90 | -34.1 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | K1717 F1801 | K1717-S1803 PolarHBondContact NZ-OG 3.17Å; F1801-S1803 PolarHBondContact O-N 2.72Å |
| 1804 | D | 74.7 | Confident | 82.6 | Confident | 91.6 Ų | 91.6 | 49.5 Ų | 49.5 | 49% | 0.49 | 26% | 0.259 | S | S | . | . | trans | -108.7 | 115.9 | -177.9 | -171.3 | -19.2 | 0 | 0 | 0 | 108.1 | S1802 A1806 V1807 A1808 | S1802-D1804 PolarHBondContact OG-N 2.85Å; S1802-D1804 PolarHBondContact OG-O 3.07Å; S1802-D1804 VanDerWaalsContact OG-O 3.06Å; D1804-A1806 VanDerWaalsContact C-N 3.32Å; D1804-A1806 PolarHBondContact O-N 3.04Å; D1804-A1806 PolarHBondContact OD1-N 3.13Å; D1804-A1806 VanDerWaalsContact OD1-N 3.15Å; D1804-V1807 HydrophobicContact CB-CB 4.26Å; D1804-V1807 HydrophobicContact CB-CG2 4.26Å; D1804-V1807 WeakPolarHBondContact OD2-CG2 3.25Å; D1804-A1808 VanDerWaalsContact O-CB 3.29Å; D1804-A1808 WeakPolarHBondContact O-CB 3.36Å; D1804-A1808 PolarHBondContact O-N 2.92Å | ||
| 1805 | E | 73 | Confident | 82.4 | Confident | 165 Ų | 165 | 50.2 Ų | 50.2 | 77% | 0.771 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | -174.1 | -65.7 | -171.3 | 161 | 0 | 0 | 111.9 | A1808 E1809 | E1805-A1808 WeakPolarHBondContact O-CB 3.34Å; E1805-A1808 PolarHBondContact O-N 3.3Å; E1805-E1809 WeakPolarHBondContact O-CB 3.34Å; E1805-E1809 WeakPolarHBondContact O-CG 3.26Å; E1805-E1809 PolarHBondContact O-N 3.25Å |
| 1806 | A | 76.7 | Confident | 82.2 | Confident | 67.6 Ų | 67.6 | 50.2 Ų | 50.2 | 56% | 0.559 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.9 | -44.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1804 A1808 E1809 E1810 | D1804-A1806 VanDerWaalsContact C-N 3.32Å; D1804-A1806 PolarHBondContact O-N 3.04Å; D1804-A1806 PolarHBondContact OD1-N 3.13Å; D1804-A1806 VanDerWaalsContact OD1-N 3.15Å; A1806-A1808 VanDerWaalsContact C-N 3.28Å; A1806-A1808 PolarHBondContact O-N 2.95Å; A1806-E1809 PolarHBondContact O-N 3.28Å; A1806-E1810 PolarHBondContact O-N 3.15Å; A1806-E1810 VanDerWaalsContact O-N 3.12Å |
| 1807 | V | 76.9 | Confident | 81.9 | Confident | 65.8 Ų | 65.8 | 50.2 Ų | 50.2 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.8 | -33 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | D1804 R1811 | D1804-V1807 HydrophobicContact CB-CB 4.26Å; D1804-V1807 HydrophobicContact CB-CG2 4.26Å; D1804-V1807 WeakPolarHBondContact OD2-CG2 3.25Å; V1807-R1811 WeakPolarHBondContact O-CB 3.29Å; V1807-R1811 VanDerWaalsContact O-CG 3.29Å; V1807-R1811 WeakPolarHBondContact O-CG 3.27Å; V1807-R1811 PolarHBondContact O-N 3.14Å; V1807-R1811 VanDerWaalsContact O-N 3.14Å |
| 1808 | A | 77.3 | Confident | 81.5 | Confident | 12.8 Ų | 12.8 | 54.2 Ų | 54.2 | 11% | 0.106 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1802 D1804 E1805 A1806 E1810 R1811 L1812 | S1802-A1808 VanDerWaalsContact OG-CB 3.3Å; S1802-A1808 WeakPolarHBondContact OG-CB 3.42Å; D1804-A1808 VanDerWaalsContact O-CB 3.29Å; D1804-A1808 WeakPolarHBondContact O-CB 3.36Å; D1804-A1808 PolarHBondContact O-N 2.92Å; E1805-A1808 WeakPolarHBondContact O-CB 3.34Å; E1805-A1808 PolarHBondContact O-N 3.3Å; A1806-A1808 VanDerWaalsContact C-N 3.28Å; A1806-A1808 PolarHBondContact O-N 2.95Å; A1808-E1810 VanDerWaalsContact C-N 3.35Å; A1808-R1811 PolarHBondContact O-N 3.03Å; A1808-L1812 VanDerWaalsContact O-CB 3.23Å; A1808-L1812 WeakPolarHBondContact O-CB 3.27Å; A1808-L1812 PolarHBondContact O-N 3.01Å |
| 1809 | E | 79.4 | Confident | 81.2 | Confident | 96.2 Ų | 96.2 | 57.6 Ų | 57.6 | 45% | 0.45 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | -179.8 | -155.8 | 178.6 | 175.5 | 0 | 0 | 110.8 | E1805 A1806 R1811 L1812 R1813 K1852 | E1805-E1809 WeakPolarHBondContact O-CB 3.34Å; E1805-E1809 WeakPolarHBondContact O-CG 3.26Å; E1805-E1809 PolarHBondContact O-N 3.25Å; A1806-E1809 PolarHBondContact O-N 3.28Å; E1809-R1811 PolarHBondContact O-N 2.96Å; E1809-L1812 PolarHBondContact O-N 3.07Å; E1809-R1813 VanDerWaalsContact O-CB 3.3Å; E1809-R1813 WeakPolarHBondContact O-CB 3.3Å; E1809-R1813 PolarHBondContact O-N 3.25Å; E1809-K1852 VanDerWaalsContact CD-NZ 3.35Å; E1809-K1852 VanDerWaalsContact OE1-CE 3.29Å; E1809-K1852 WeakPolarHBondContact OE1-CE 3.31Å; E1809-K1852 IonicContact OE1-NZ 3.6Å; E1809-K1852 PolarHBondContact OE1-NZ 3.18Å; E1809-K1852 IonicContact OE2-NZ 3.67Å; E1809-K1852 PolarHBondContact OE2-NZ 3.29Å |
| 1810 | E | 81.3 | Confident | 80.9 | Confident | 83.2 Ų | 83.2 | 56 Ų | 56 | 39% | 0.389 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 177.2 | -171.5 | 57.6 | -143.3 | 0 | 0 | 112.2 | A1806 A1808 L1812 R1813 H1814 | A1806-E1810 PolarHBondContact O-N 3.15Å; A1806-E1810 VanDerWaalsContact O-N 3.12Å; A1808-E1810 VanDerWaalsContact C-N 3.35Å; E1810-L1812 VanDerWaalsContact C-N 3.34Å; E1810-L1812 PolarHBondContact O-N 3.39Å; E1810-R1813 VanDerWaalsContact CD-NE 3.32Å; E1810-R1813 WeakPolarHBondContact O-CB 3.37Å; E1810-R1813 PolarHBondContact O-N 3.05Å; E1810-R1813 IonicContact OE1-CZ 3.08Å; E1810-R1813 VanDerWaalsContact OE1-CZ 3.29Å; E1810-R1813 IonicContact OE1-NE 3.54Å; E1810-R1813 PolarHBondContact OE1-NE 3.08Å; E1810-R1813 VanDerWaalsContact OE1-NE 3.09Å; E1810-R1813 IonicContact OE1-NH2 3.82Å; E1810-R1813 PolarHBondContact OE1-NH2 3.23Å; E1810-R1813 IonicContact OE2-CZ 3.71Å; E1810-R1813 IonicContact OE2-NE 3.6Å; E1810-R1813 PolarHBondContact OE2-NE 3.25Å; E1810-R1813 VanDerWaalsContact OE2-NE 3.12Å; E1810-R1813 IonicContact OE2-NH2 3.29Å; E1810-H1814 PolarHBondContact O-CD2 3.23Å; E1810-H1814 PolarHBondContact O-N 3.21Å; E1810-H1814 PolarHBondContact O-ND1 3.44Å; E1810-H1814 IonicContact OE1-CD2 3.33Å; E1810-H1814 IonicContact OE1-CE1 3.41Å; E1810-H1814 PolarHBondContact OE1-CE1 3.08Å; E1810-H1814 IonicContact OE1-ND1 2.82Å; E1810-H1814 PolarHBondContact OE1-ND1 2.84Å; E1810-H1814 IonicContact OE1-NE2 3.14Å; E1810-H1814 PolarHBondContact OE1-NE2 3.3Å |
| 1811 | R | 83.4 | Confident | 80.3 | Confident | 99.2 Ų | 99.2 | 56 Ų | 56 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.3 | -71 | 178.7 | -174.5 | -144.5 | 1.5 | 112.4 | D1778 F1798 V1807 A1808 E1809 R1813 H1814 L1815 | D1778-R1811 VanDerWaalsContact CG-NH1 3.28Å; D1778-R1811 IonicContact OD1-CZ 3.86Å; D1778-R1811 IonicContact OD1-NH1 2.96Å; D1778-R1811 PolarHBondContact OD1-NH1 3.32Å; D1778-R1811 IonicContact OD2-CZ 3.62Å; D1778-R1811 IonicContact OD2-NH1 2.9Å; D1778-R1811 PolarHBondContact OD2-NH1 3.23Å; F1798-R1811 HydrophobicContact CD1-CB 4.44Å; F1798-R1811 HydrophobicContact CE1-CB 3.94Å; F1798-R1811 HydrophobicContact CZ-CB 4.37Å; V1807-R1811 WeakPolarHBondContact O-CB 3.29Å; V1807-R1811 VanDerWaalsContact O-CG 3.29Å; V1807-R1811 WeakPolarHBondContact O-CG 3.27Å; V1807-R1811 PolarHBondContact O-N 3.14Å; V1807-R1811 VanDerWaalsContact O-N 3.14Å; A1808-R1811 PolarHBondContact O-N 3.03Å; E1809-R1811 PolarHBondContact O-N 2.96Å; R1811-R1813 VanDerWaalsContact C-N 3.35Å; R1811-H1814 PolarHBondContact O-N 3.14Å; R1811-L1815 PolarHBondContact O-N 2.92Å |
| 1812 | L | 84.9 | Confident | 79.9 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 175.3 | 178.1 | 61.4 | 0 | 0 | 0 | 110.8 | V1795 R1799 A1808 E1809 E1810 L1815 L1816 | V1795-L1812 HydrophobicContact CB-CD1 4.29Å; V1795-L1812 HydrophobicContact CG1-CD1 4.03Å; V1795-L1812 HydrophobicContact CG2-CD1 3.99Å; R1799-L1812 HydrophobicContact CG-CD2 4.19Å; A1808-L1812 VanDerWaalsContact O-CB 3.23Å; A1808-L1812 WeakPolarHBondContact O-CB 3.27Å; A1808-L1812 PolarHBondContact O-N 3.01Å; E1809-L1812 PolarHBondContact O-N 3.07Å; E1810-L1812 VanDerWaalsContact C-N 3.34Å; E1810-L1812 PolarHBondContact O-N 3.39Å; L1812-L1815 HydrophobicContact CD1-CD2 4.27Å; L1812-L1815 WeakPolarHBondContact O-CB 3.41Å; L1812-L1815 PolarHBondContact O-N 3.29Å; L1812-L1816 HydrophobicContact CD1-CD1 4.23Å; L1812-L1816 HydrophobicContact CD1-CD2 4.49Å; L1812-L1816 HydrophobicContact CD1-CG 4.12Å; L1812-L1816 HydrophobicContact CG-CD1 4.12Å; L1812-L1816 HydrophobicContact CG-CG 4.41Å; L1812-L1816 VanDerWaalsContact O-CG 3.32Å; L1812-L1816 WeakPolarHBondContact O-CG 3.4Å; L1812-L1816 PolarHBondContact O-N 3.12Å |
| 1813 | R | 84.7 | Confident | 79.6 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 172.9 | 167.9 | 176.5 | 129.2 | 82.2 | 6 | 111.1 | E1809 E1810 R1811 L1815 L1816 C1817 A1825 D1826 F1829 L1851 | E1809-R1813 VanDerWaalsContact O-CB 3.3Å; E1809-R1813 WeakPolarHBondContact O-CB 3.3Å; E1809-R1813 PolarHBondContact O-N 3.25Å; E1810-R1813 VanDerWaalsContact CD-NE 3.32Å; E1810-R1813 WeakPolarHBondContact O-CB 3.37Å; E1810-R1813 PolarHBondContact O-N 3.05Å; E1810-R1813 IonicContact OE1-CZ 3.08Å; E1810-R1813 VanDerWaalsContact OE1-CZ 3.29Å; E1810-R1813 IonicContact OE1-NE 3.54Å; E1810-R1813 PolarHBondContact OE1-NE 3.08Å; E1810-R1813 VanDerWaalsContact OE1-NE 3.09Å; E1810-R1813 IonicContact OE1-NH2 3.82Å; E1810-R1813 PolarHBondContact OE1-NH2 3.23Å; E1810-R1813 IonicContact OE2-CZ 3.71Å; E1810-R1813 IonicContact OE2-NE 3.6Å; E1810-R1813 PolarHBondContact OE2-NE 3.25Å; E1810-R1813 VanDerWaalsContact OE2-NE 3.12Å; E1810-R1813 IonicContact OE2-NH2 3.29Å; R1811-R1813 VanDerWaalsContact C-N 3.35Å; R1813-L1815 VanDerWaalsContact C-N 3.33Å; R1813-L1815 PolarHBondContact O-N 3.15Å; R1813-L1816 PolarHBondContact O-N 3.14Å; R1813-C1817 WeakPolarHBondContact O-CB 3.31Å; R1813-C1817 PolarHBondContact O-N 3.14Å; R1813-C1817 PolarHBondContact O-SG 3.15Å; R1813-A1825 HydrophobicContact CG-CB 4.49Å; R1813-A1825 PolarHBondContact NH1-O 3.11Å; R1813-A1825 VanDerWaalsContact NH2-C 3.26Å; R1813-A1825 PolarHBondContact NH2-O 3.17Å; R1813-D1826 IonicContact NH2-OD1 3.47Å; R1813-F1829 VanDerWaalsContact NH2-CE2 3.29Å; R1813-L1851 HydrophobicContact CB-CD2 3.78Å; R1813-L1851 HydrophobicContact CG-CD2 3.58Å |
| 1814 | H | 84.1 | Confident | 79.6 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -43.3 | 174.6 | -75.9 | -57.5 | 0 | 0 | 0 | 112.7 | E1810 R1811 N1818 A1825 | E1810-H1814 PolarHBondContact O-CD2 3.23Å; E1810-H1814 PolarHBondContact O-N 3.21Å; E1810-H1814 PolarHBondContact O-ND1 3.44Å; E1810-H1814 IonicContact OE1-CD2 3.33Å; E1810-H1814 IonicContact OE1-CE1 3.41Å; E1810-H1814 PolarHBondContact OE1-CE1 3.08Å; E1810-H1814 IonicContact OE1-ND1 2.82Å; E1810-H1814 PolarHBondContact OE1-ND1 2.84Å; E1810-H1814 IonicContact OE1-NE2 3.14Å; E1810-H1814 PolarHBondContact OE1-NE2 3.3Å; R1811-H1814 PolarHBondContact O-N 3.14Å; H1814-N1818 VanDerWaalsContact O-CB 3.3Å; H1814-N1818 WeakPolarHBondContact O-CB 3.26Å; H1814-N1818 PolarHBondContact O-N 3.29Å; H1814-N1818 PolarHBondContact O-ND2 3.09Å; H1814-A1825 VanDerWaalsContact CE1-CB 3.5Å; H1814-A1825 WeakPolarHBondContact CE1-CB 3.45Å; H1814-A1825 WeakPolarHBondContact ND1-CB 3.39Å |
| 1815 | L | 86.2 | Confident | 79.2 | Confident | 14.6 Ų | 14.6 | 53.3 Ų | 53.3 | 8% | 0.076 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -51.3 | 176.7 | 177.8 | 74 | 0 | 0 | 0 | 111.5 | V1781 L1785 A1794 V1795 F1798 R1811 L1812 R1813 N1818 E1819 | V1781-L1815 HydrophobicContact CG1-CD1 4.14Å; V1781-L1815 HydrophobicContact CG1-CD2 4.45Å; L1785-L1815 HydrophobicContact CD1-CD1 3.37Å; L1785-L1815 HydrophobicContact CD2-CD1 4.12Å; L1785-L1815 HydrophobicContact CG-CD1 4.28Å; A1794-L1815 HydrophobicContact CB-CD2 4.13Å; V1795-L1815 HydrophobicContact CG2-CD2 4.09Å; F1798-L1815 HydrophobicContact CD2-CD2 3.71Å; F1798-L1815 HydrophobicContact CE2-CB 4.21Å; F1798-L1815 HydrophobicContact CE2-CD1 4.43Å; F1798-L1815 HydrophobicContact CE2-CD2 3.78Å; F1798-L1815 HydrophobicContact CE2-CG 4.37Å; R1811-L1815 PolarHBondContact O-N 2.92Å; L1812-L1815 HydrophobicContact CD1-CD2 4.27Å; L1812-L1815 WeakPolarHBondContact O-CB 3.41Å; L1812-L1815 PolarHBondContact O-N 3.29Å; R1813-L1815 VanDerWaalsContact C-N 3.33Å; R1813-L1815 PolarHBondContact O-N 3.15Å; L1815-N1818 PolarHBondContact O-N 2.91Å; L1815-E1819 HydrophobicContact CD1-CG 3.8Å; L1815-E1819 HydrophobicContact CG-CG 4.42Å; L1815-E1819 WeakPolarHBondContact O-CB 3.34Å; L1815-E1819 WeakPolarHBondContact O-CG 3.4Å; L1815-E1819 PolarHBondContact O-N 3.11Å |
| 1816 | L | 85.9 | Confident | 78.7 | Confident | 2.6 Ų | 2.6 | 51.6 Ų | 51.6 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -40 | -175.6 | -66.5 | 176.5 | 0 | 0 | 0 | 111.9 | W1680 V1795 L1812 R1813 V1820 L1821 V1847 Y1850 | W1680-L1816 HydrophobicContact CH2-CD2 4.29Å; W1680-L1816 HydrophobicContact CZ3-CD2 3.93Å; V1795-L1816 HydrophobicContact CG2-CD2 3.87Å; L1812-L1816 HydrophobicContact CD1-CD1 4.23Å; L1812-L1816 HydrophobicContact CD1-CD2 4.49Å; L1812-L1816 HydrophobicContact CD1-CG 4.12Å; L1812-L1816 HydrophobicContact CG-CD1 4.12Å; L1812-L1816 HydrophobicContact CG-CG 4.41Å; L1812-L1816 VanDerWaalsContact O-CG 3.32Å; L1812-L1816 WeakPolarHBondContact O-CG 3.4Å; L1812-L1816 PolarHBondContact O-N 3.12Å; R1813-L1816 PolarHBondContact O-N 3.14Å; L1816-V1820 HydrophobicContact CD2-CG2 4.41Å; L1816-V1820 VanDerWaalsContact O-CB 3.3Å; L1816-V1820 WeakPolarHBondContact O-CB 3.29Å; L1816-V1820 PolarHBondContact O-N 3.21Å; L1816-V1820 VanDerWaalsContact O-N 3.08Å; L1816-L1821 PolarHBondContact O-N 3.02Å; L1816-V1847 HydrophobicContact CB-CG1 3.77Å; L1816-V1847 HydrophobicContact CB-CG2 4.33Å; L1816-V1847 HydrophobicContact CD1-CG1 4.43Å; L1816-V1847 HydrophobicContact CD2-CG2 4.18Å; L1816-Y1850 HydrophobicContact CD1-CG 4.41Å |
| 1817 | C | 83 | Confident | 78.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -63 | -45.4 | 175.2 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | R1813 L1821 K1822 C1823 A1825 | R1813-C1817 WeakPolarHBondContact O-CB 3.31Å; R1813-C1817 PolarHBondContact O-N 3.14Å; R1813-C1817 PolarHBondContact O-SG 3.15Å; C1817-L1821 CarbonylContact O-C 3.54Å; C1817-L1821 WeakPolarHBondContact O-CB 3.33Å; C1817-L1821 PolarHBondContact O-N 2.84Å; C1817-K1822 PolarHBondContact O-N 3.19Å; C1817-C1823 CarbonylContact C-O 3.41Å; C1817-C1823 VanDerWaalsContact C-O 3.26Å; C1817-C1823 PolarHBondContact O-N 3.06Å; C1817-C1823 VanDerWaalsContact O-N 3.1Å; C1817-C1823 VanDerWaalsContact O-O 3.12Å; C1817-A1825 HydrophobicContact CB-CB 4.39Å |
| 1818 | N | 82.9 | Confident | 77.6 | Confident | 84.2 Ų | 84.2 | 54.2 Ų | 54.2 | 45% | 0.45 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -72.1 | -47.4 | -176.6 | -69.5 | -14.1 | 0 | 0 | 0 | 112.8 | H1814 L1815 K1822 C1823 | H1814-N1818 VanDerWaalsContact O-CB 3.3Å; H1814-N1818 WeakPolarHBondContact O-CB 3.26Å; H1814-N1818 PolarHBondContact O-N 3.29Å; H1814-N1818 PolarHBondContact O-ND2 3.09Å; L1815-N1818 PolarHBondContact O-N 2.91Å; N1818-K1822 WeakPolarHBondContact O-CA 3.39Å; N1818-C1823 PolarHBondContact OD1-O 3.16Å |
| 1819 | E | 81.6 | Confident | 77.2 | Confident | 80.6 Ų | 80.6 | 54.8 Ų | 54.8 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -83.6 | -41 | -171.8 | -65 | -60.3 | 143.3 | 0 | 0 | 112.8 | L1785 L1815 | L1785-E1819 HydrophobicContact CD1-CG 4Å; L1785-E1819 HydrophobicContact CD2-CG 4.06Å; L1815-E1819 HydrophobicContact CD1-CG 3.8Å; L1815-E1819 HydrophobicContact CG-CG 4.42Å; L1815-E1819 WeakPolarHBondContact O-CB 3.34Å; L1815-E1819 WeakPolarHBondContact O-CG 3.4Å; L1815-E1819 PolarHBondContact O-N 3.11Å |
| 1820 | V | 80.1 | Confident | 76.4 | Confident | 6.6 Ų | 6.6 | 55.2 Ų | 55.2 | 4% | 0.04 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -95.2 | -53.1 | -174 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | W1680 I1791 L1816 K1822 C1838 L1843 V1847 | W1680-V1820 HydrophobicContact CH2-CG2 4.18Å; I1791-V1820 HydrophobicContact CG2-CG2 4.4Å; L1816-V1820 HydrophobicContact CD2-CG2 4.41Å; L1816-V1820 VanDerWaalsContact O-CB 3.3Å; L1816-V1820 WeakPolarHBondContact O-CB 3.29Å; L1816-V1820 PolarHBondContact O-N 3.21Å; L1816-V1820 VanDerWaalsContact O-N 3.08Å; V1820-K1822 VanDerWaalsContact C-N 3.33Å; V1820-C1838 WeakPolarHBondContact O-CB 3.34Å; V1820-C1838 PolarHBondContact O-SG 3.13Å; V1820-C1838 VanDerWaalsContact O-SG 3.33Å; V1820-L1843 HydrophobicContact CG1-CD1 4.47Å; V1820-L1843 HydrophobicContact CG1-CD2 3.76Å; V1820-L1843 HydrophobicContact CG1-CG 3.64Å; V1820-V1847 HydrophobicContact CB-CG2 3.85Å; V1820-V1847 HydrophobicContact CG1-CG2 3.62Å; V1820-V1847 HydrophobicContact CG2-CG2 4.03Å |
| 1821 | L | 75.9 | Confident | 75.6 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -79.4 | -22.9 | -178.4 | -57 | -179.9 | 0 | 0 | 0 | 112.6 | L1816 C1817 C1823 F1829 R1844 V1847 F1848 L1851 | L1816-L1821 PolarHBondContact O-N 3.02Å; C1817-L1821 CarbonylContact O-C 3.54Å; C1817-L1821 WeakPolarHBondContact O-CB 3.33Å; C1817-L1821 PolarHBondContact O-N 2.84Å; L1821-C1823 VanDerWaalsContact C-N 3.27Å; L1821-C1823 VanDerWaalsContact CB-SG 3.53Å; L1821-C1823 WeakPolarHBondContact CB-SG 3.31Å; L1821-C1823 PolarHBondContact O-N 3Å; L1821-F1829 HydrophobicContact CD1-CD1 4.46Å; L1821-F1829 HydrophobicContact CD1-CE1 4Å; L1821-R1844 HydrophobicContact CD2-CB 4.42Å; L1821-R1844 HydrophobicContact CD2-CG 3.39Å; L1821-V1847 HydrophobicContact CD1-CG1 3.9Å; L1821-V1847 HydrophobicContact CD2-CB 4.41Å; L1821-V1847 HydrophobicContact CD2-CG1 4.23Å; L1821-V1847 HydrophobicContact CG-CG1 3.93Å; L1821-F1848 HydrophobicContact CD1-CD1 4.44Å; L1821-F1848 HydrophobicContact CD1-CE1 3.87Å; L1821-F1848 HydrophobicContact CD1-CZ 4.3Å; L1821-F1848 HydrophobicContact CD2-CE1 4.48Å; L1821-F1848 HydrophobicContact CD2-CE2 4.4Å; L1821-F1848 HydrophobicContact CD2-CZ 4.3Å; L1821-L1851 HydrophobicContact CD1-CD1 4.24Å |
| 1822 | K | 76.5 | Confident | 74.4 | Confident | 128.6 Ų | 128.6 | 54.3 Ų | 54.3 | 56% | 0.559 | 29% | 0.291 | S | S | * | . | trans | 57.4 | 39.5 | -174.3 | -55.8 | 179.2 | 179.4 | 176.3 | 0 | 112.5 | C1817 N1818 V1820 R1837 | C1817-K1822 PolarHBondContact O-N 3.19Å; N1818-K1822 WeakPolarHBondContact O-CA 3.39Å; V1820-K1822 VanDerWaalsContact C-N 3.33Å; K1822-R1837 HydrophobicContact CB-CB 4.36Å; K1822-R1837 VanDerWaalsContact O-CD 3.28Å; K1822-R1837 WeakPolarHBondContact O-CD 3.41Å; K1822-R1837 PolarHBondContact O-NH1 3.05Å; K1822-R1837 VanDerWaalsContact O-NH1 3.08Å | ||
| 1823 | C | 72.8 | Confident | 73.2 | Confident | 5.8 Ų | 5.8 | 58.3 Ų | 58.3 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -130.3 | 161.5 | 177 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | C1817 N1818 L1821 T1834 | C1817-C1823 CarbonylContact C-O 3.41Å; C1817-C1823 VanDerWaalsContact C-O 3.26Å; C1817-C1823 PolarHBondContact O-N 3.06Å; C1817-C1823 VanDerWaalsContact O-N 3.1Å; C1817-C1823 VanDerWaalsContact O-O 3.12Å; N1818-C1823 PolarHBondContact OD1-O 3.16Å; L1821-C1823 VanDerWaalsContact C-N 3.27Å; L1821-C1823 VanDerWaalsContact CB-SG 3.53Å; L1821-C1823 WeakPolarHBondContact CB-SG 3.31Å; L1821-C1823 PolarHBondContact O-N 3Å; C1823-T1834 HydrophobicContact CB-CG2 3.52Å; C1823-T1834 VanDerWaalsContact CB-CG2 3.45Å |
| 1824 | S | 70.8 | Confident | 71.9 | Confident | 49.2 Ų | 49.2 | 56.3 Ų | 56.3 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | trans | -67.5 | 154.3 | 169.9 | -170 | 0 | 0 | 0 | 0 | 109.6 | D1826 D1827 | S1824-D1826 PolarHBondContact O-N 2.96Å; S1824-D1826 PolarHBondContact OG-N 3.14Å; S1824-D1827 VanDerWaalsContact CB-CG 3.47Å; S1824-D1827 WeakPolarHBondContact CB-OD1 3.31Å; S1824-D1827 VanDerWaalsContact CB-OD2 3.31Å; S1824-D1827 WeakPolarHBondContact CB-OD2 3.33Å; S1824-D1827 PolarHBondContact N-OD2 3.15Å; S1824-D1827 PolarHBondContact O-N 3.03Å | ||
| 1825 | A | 64.6 | Low | 70.7 | Confident | 3.4 Ų | 3.4 | 53.7 Ų | 53.7 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1813 H1814 C1817 D1827 | R1813-A1825 HydrophobicContact CG-CB 4.49Å; R1813-A1825 PolarHBondContact NH1-O 3.11Å; R1813-A1825 VanDerWaalsContact NH2-C 3.26Å; R1813-A1825 PolarHBondContact NH2-O 3.17Å; H1814-A1825 VanDerWaalsContact CE1-CB 3.5Å; H1814-A1825 WeakPolarHBondContact CE1-CB 3.45Å; H1814-A1825 WeakPolarHBondContact ND1-CB 3.39Å; C1817-A1825 HydrophobicContact CB-CB 4.39Å; A1825-D1827 VanDerWaalsContact C-N 3.33Å |
| 1826 | D | 64.5 | Low | 69.5 | Low | 130.2 Ų | 130.2 | 58.2 Ų | 58.2 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -3.2 | 179.3 | -58.1 | -33.7 | 0 | 0 | 0 | 113.1 | R1813 S1824 | R1813-D1826 IonicContact NH2-OD1 3.47Å; S1824-D1826 PolarHBondContact O-N 2.96Å; S1824-D1826 PolarHBondContact OG-N 3.14Å |
| 1827 | D | 64.7 | Low | 68.3 | Low | 60.6 Ų | 60.6 | 64.4 Ų | 64.4 | 32% | 0.324 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -71.8 | 138.8 | 178.6 | -68.6 | -22.2 | 0 | 0 | 0 | 110.1 | S1824 A1825 F1829 T1834 | S1824-D1827 VanDerWaalsContact CB-CG 3.47Å; S1824-D1827 WeakPolarHBondContact CB-OD1 3.31Å; S1824-D1827 VanDerWaalsContact CB-OD2 3.31Å; S1824-D1827 WeakPolarHBondContact CB-OD2 3.33Å; S1824-D1827 PolarHBondContact N-OD2 3.15Å; S1824-D1827 PolarHBondContact O-N 3.03Å; A1825-D1827 VanDerWaalsContact C-N 3.33Å; D1827-F1829 PolarHBondContact O-N 3.16Å; D1827-F1829 VanDerWaalsContact O-N 3.1Å; D1827-T1834 HydrophobicContact CB-CG2 4.21Å |
| 1828 | D | 65 | Low | 67.6 | Low | 126.8 Ų | 126.8 | 64.9 Ų | 64.9 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | trans | -68.1 | 107.5 | 172.7 | -76.2 | -33.7 | 0 | 0 | 0 | 109.8 | S1830 D1831 | D1828-S1830 PolarHBondContact O-N 3.03Å; D1828-D1831 PolarHBondContact O-N 3.24Å; D1828-D1831 VanDerWaalsContact O-N 3.12Å | ||
| 1829 | F | 67.8 | Low | 66.9 | Low | 24.8 Ų | 24.8 | 67 Ų | 67 | 11% | 0.109 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.5 | 179.3 | -57.1 | -62.4 | 0 | 0 | 0 | 114.2 | R1813 L1821 D1827 D1831 T1834 T1835 F1848 L1851 L1856 | R1813-F1829 VanDerWaalsContact NH2-CE2 3.29Å; L1821-F1829 HydrophobicContact CD1-CD1 4.46Å; L1821-F1829 HydrophobicContact CD1-CE1 4Å; D1827-F1829 PolarHBondContact O-N 3.16Å; D1827-F1829 VanDerWaalsContact O-N 3.1Å; F1829-D1831 PolarHBondContact O-N 2.91Å; F1829-T1834 HydrophobicContact CD1-CG2 4.35Å; F1829-T1835 WeakPolarHBondContact O-CG2 3.36Å; F1829-F1848 HydrophobicContact CB-CE1 4.31Å; F1829-F1848 AromaticContact CD1-CE1 3.92Å; F1829-F1848 HydrophobicContact CD1-CE1 3.98Å; F1829-F1848 HydrophobicContact CE1-CE1 4.46Å; F1829-F1848 HydrophobicContact CG-CE1 4.11Å; F1829-L1851 HydrophobicContact CE1-CD1 4.49Å; F1829-L1851 HydrophobicContact CE2-CD1 4.42Å; F1829-L1851 HydrophobicContact CZ-CD1 4.04Å; F1829-L1856 HydrophobicContact CB-CD1 3.54Å; F1829-L1856 VanDerWaalsContact CB-CD1 3.48Å; F1829-L1856 HydrophobicContact CD2-CD1 4.32Å; F1829-L1856 HydrophobicContact CG-CD1 4.39Å |
| 1830 | S | 63.4 | Low | 66.9 | Low | 105 Ų | 105 | 64.3 Ų | 64.3 | 73% | 0.734 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.9 | 174.4 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | D1828 P1832 | D1828-S1830 PolarHBondContact O-N 3.03Å; S1830-P1832 WeakPolarHBondContact O-CD 3.36Å |
| 1831 | D | 63.7 | Low | 67.2 | Low | 93.2 Ų | 93.2 | 64 Ų | 64 | 50% | 0.498 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -73.3 | 119.4 | 179.5 | -96 | -18.9 | 0 | 0 | 0 | 111.1 | D1828 F1829 D1833 T1834 | D1828-D1831 PolarHBondContact O-N 3.24Å; D1828-D1831 VanDerWaalsContact O-N 3.12Å; F1829-D1831 PolarHBondContact O-N 2.91Å; D1831-D1833 PolarHBondContact O-N 3.02Å; D1831-D1833 VanDerWaalsContact O-N 3.1Å; D1831-D1833 PolarHBondContact OD1-N 2.84Å; D1831-D1833 VanDerWaalsContact OD1-N 3.13Å; D1831-T1834 HydrophobicContact CB-CG2 4.18Å; D1831-T1834 WeakPolarHBondContact CB-OG1 3.49Å; D1831-T1834 WeakPolarHBondContact O-CB 3.27Å; D1831-T1834 PolarHBondContact O-N 3.23Å; D1831-T1834 VanDerWaalsContact O-N 3.08Å; D1831-T1834 PolarHBondContact O-OG1 3.03Å |
| 1832 | P | 59 | Low | 67.9 | Low | 71 Ų | 71 | 63.8 Ų | 63.8 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -27.4 | -176.5 | 21.4 | -31.4 | 0 | 0 | 0 | 112.8 | S1830 T1834 T1835 K1836 | S1830-P1832 WeakPolarHBondContact O-CD 3.36Å; P1832-T1834 VanDerWaalsContact C-N 3.31Å; P1832-T1834 PolarHBondContact O-N 3.11Å; P1832-T1835 PolarHBondContact O-N 3.26Å; P1832-T1835 PolarHBondContact O-OG1 3.3Å; P1832-K1836 VanDerWaalsContact O-CG 3.28Å; P1832-K1836 WeakPolarHBondContact O-CG 3.38Å; P1832-K1836 PolarHBondContact O-N 3.02Å; P1832-K1836 VanDerWaalsContact O-N 3.13Å |
| 1833 | D | 60.4 | Low | 68.4 | Low | 104 Ų | 104 | 59.4 Ų | 59.4 | 56% | 0.556 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -69.8 | -26.6 | 178.9 | -73.8 | -12.5 | 0 | 0 | 0 | 113.4 | D1831 T1835 K1836 | D1831-D1833 PolarHBondContact O-N 3.02Å; D1831-D1833 VanDerWaalsContact O-N 3.1Å; D1831-D1833 PolarHBondContact OD1-N 2.84Å; D1831-D1833 VanDerWaalsContact OD1-N 3.13Å; D1833-T1835 VanDerWaalsContact C-N 3.34Å; D1833-K1836 PolarHBondContact O-N 3.28Å; D1833-K1836 IonicContact OD1-NZ 3.36Å; D1833-K1836 PolarHBondContact OD1-NZ 3Å |
| 1834 | T | 57.7 | Low | 69.1 | Low | 15.2 Ų | 15.2 | 59.2 Ų | 59.2 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.6 | -43 | 172.5 | 25 | 0 | 0 | 0 | 0 | 110.3 | C1823 D1827 F1829 D1831 P1832 K1836 R1837 | C1823-T1834 HydrophobicContact CB-CG2 3.52Å; C1823-T1834 VanDerWaalsContact CB-CG2 3.45Å; D1827-T1834 HydrophobicContact CB-CG2 4.21Å; F1829-T1834 HydrophobicContact CD1-CG2 4.35Å; D1831-T1834 HydrophobicContact CB-CG2 4.18Å; D1831-T1834 WeakPolarHBondContact CB-OG1 3.49Å; D1831-T1834 WeakPolarHBondContact O-CB 3.27Å; D1831-T1834 PolarHBondContact O-N 3.23Å; D1831-T1834 VanDerWaalsContact O-N 3.08Å; D1831-T1834 PolarHBondContact O-OG1 3.03Å; P1832-T1834 VanDerWaalsContact C-N 3.31Å; P1832-T1834 PolarHBondContact O-N 3.11Å; T1834-K1836 VanDerWaalsContact C-N 3.34Å; T1834-K1836 PolarHBondContact O-N 3.11Å; T1834-R1837 PolarHBondContact O-N 3.23Å |
| 1835 | T | 58.4 | Low | 70.1 | Confident | 16.2 Ų | 16.2 | 56.8 Ų | 56.8 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -37.3 | -179.6 | 72 | 0 | 0 | 0 | 0 | 112.1 | F1829 P1832 D1833 R1837 R1844 F1848 | F1829-T1835 WeakPolarHBondContact O-CG2 3.36Å; P1832-T1835 PolarHBondContact O-N 3.26Å; P1832-T1835 PolarHBondContact O-OG1 3.3Å; D1833-T1835 VanDerWaalsContact C-N 3.34Å; T1835-R1837 PolarHBondContact O-N 2.9Å; T1835-R1837 VanDerWaalsContact O-N 3.11Å; T1835-R1844 PolarHBondContact O-NE 3.16Å; T1835-R1844 VanDerWaalsContact O-NE 3.13Å; T1835-R1844 PolarHBondContact O-NH1 3.26Å; T1835-R1844 VanDerWaalsContact O-NH1 3.15Å; T1835-R1844 PolarHBondContact O-NH2 3.21Å; T1835-R1844 VanDerWaalsContact O-NH2 3.13Å; T1835-F1848 HydrophobicContact CG2-CZ 4.34Å |
| 1836 | K | 59.8 | Low | 71.3 | Confident | 108.6 Ų | 108.6 | 56.7 Ų | 56.7 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.3 | -177.4 | -72.5 | 171.2 | -167.2 | 164.8 | 0 | 115.4 | P1832 D1833 T1834 T1863 L1867 | P1832-K1836 VanDerWaalsContact O-CG 3.28Å; P1832-K1836 WeakPolarHBondContact O-CG 3.38Å; P1832-K1836 PolarHBondContact O-N 3.02Å; P1832-K1836 VanDerWaalsContact O-N 3.13Å; D1833-K1836 PolarHBondContact O-N 3.28Å; D1833-K1836 IonicContact OD1-NZ 3.36Å; D1833-K1836 PolarHBondContact OD1-NZ 3Å; T1834-K1836 VanDerWaalsContact C-N 3.34Å; T1834-K1836 PolarHBondContact O-N 3.11Å; K1836-T1863 HydrophobicContact CG-CG2 4.44Å; K1836-L1867 HydrophobicContact CG-CD1 4.18Å |
| 1837 | R | 62.6 | Low | 72.5 | Confident | 134.4 Ų | 134.4 | 50.5 Ų | 50.5 | 51% | 0.507 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -31.7 | -174.3 | -67.8 | -176.3 | -175.4 | 171.8 | 6.2 | 114.5 | K1822 T1834 T1835 | K1822-R1837 HydrophobicContact CB-CB 4.36Å; K1822-R1837 VanDerWaalsContact O-CD 3.28Å; K1822-R1837 WeakPolarHBondContact O-CD 3.41Å; K1822-R1837 PolarHBondContact O-NH1 3.05Å; K1822-R1837 VanDerWaalsContact O-NH1 3.08Å; T1834-R1837 PolarHBondContact O-N 3.23Å; T1835-R1837 PolarHBondContact O-N 2.9Å; T1835-R1837 VanDerWaalsContact O-N 3.11Å |
| 1838 | C | 66.5 | Low | 73.6 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | trans | -85 | 126.6 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | V1820 D1840 R1844 | V1820-C1838 WeakPolarHBondContact O-CB 3.34Å; V1820-C1838 PolarHBondContact O-SG 3.13Å; V1820-C1838 VanDerWaalsContact O-SG 3.33Å; C1838-D1840 PolarHBondContact SG-O 2.78Å; C1838-R1844 HydrophobicContact CB-CG 4.27Å; C1838-R1844 PolarHBondContact O-NH2 2.97Å | ||
| 1839 | Q | 69.5 | Low | 74.8 | Confident | 128.6 Ų | 128.6 | 43 Ų | 43 | 60% | 0.601 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -79.8 | -24.9 | -175.9 | -69.3 | 178 | -3.1 | 0 | 0 | 113.7 | P1841 I1874 Y1878 | Q1839-P1841 WeakPolarHBondContact O-CD 3.33Å; Q1839-I1874 HydrophobicContact CB-CD1 4.24Å; Q1839-I1874 VanDerWaalsContact CD-CD1 3.5Å; Q1839-I1874 HydrophobicContact CG-CD1 4.2Å; Q1839-Y1878 PolarHBondContact O-OH 3.2Å |
| 1840 | D | 82 | Confident | 75.7 | Confident | 22.2 Ų | 22.2 | 44.1 Ų | 44.1 | 12% | 0.119 | 23% | 0.225 | C | C | . | . | trans | -98.7 | 111.1 | -178 | -179.8 | -4.3 | 0 | 0 | 0 | 110.8 | S1641 C1838 F1842 L1843 R1844 | S1641-D1840 WeakPolarHBondContact CB-OD2 3.3Å; S1641-D1840 VanDerWaalsContact OG-CG 3.27Å; S1641-D1840 PolarHBondContact OG-OD1 3.14Å; S1641-D1840 PolarHBondContact OG-OD2 3.13Å; C1838-D1840 PolarHBondContact SG-O 2.78Å; D1840-F1842 VanDerWaalsContact C-N 3.32Å; D1840-F1842 PolarHBondContact O-N 2.86Å; D1840-F1842 WeakPolarHBondContact OD1-CB 3.41Å; D1840-F1842 PolarHBondContact OD1-N 3.11Å; D1840-L1843 HydrophobicContact CB-CB 4Å; D1840-L1843 PolarHBondContact O-N 2.93Å; D1840-L1843 PolarHBondContact OD1-N 2.96Å; D1840-L1843 WeakPolarHBondContact OD2-CB 3.39Å; D1840-R1844 WeakPolarHBondContact O-CB 3.41Å; D1840-R1844 PolarHBondContact O-N 3.15Å; D1840-R1844 VanDerWaalsContact O-N 3.08Å | ||
| 1841 | P | 85.5 | Confident | 76.8 | Confident | 2.2 Ų | 2.2 | 40.3 Ų | 40.3 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69 | -29.5 | -178.7 | 28.8 | -34.6 | 0 | 0 | 0 | 112.6 | Q1839 R1844 S1845 T1860 F1861 E1864 Y1878 | Q1839-P1841 WeakPolarHBondContact O-CD 3.33Å; P1841-R1844 WeakPolarHBondContact O-CB 3.43Å; P1841-R1844 PolarHBondContact O-N 3.11Å; P1841-S1845 WeakPolarHBondContact O-CB 3.36Å; P1841-S1845 PolarHBondContact O-N 3.19Å; P1841-T1860 HydrophobicContact CB-CG2 4.08Å; P1841-F1861 HydrophobicContact CB-CD1 4.07Å; P1841-F1861 HydrophobicContact CB-CE1 4.07Å; P1841-F1861 HydrophobicContact CG-CD1 4.49Å; P1841-F1861 HydrophobicContact CG-CE1 4.45Å; P1841-E1864 HydrophobicContact CB-CG 4.5Å; P1841-E1864 WeakPolarHBondContact CB-OE2 3.18Å; P1841-E1864 WeakPolarHBondContact CD-OE1 3.22Å; P1841-E1864 WeakPolarHBondContact CD-OE2 3.47Å; P1841-E1864 HydrophobicContact CG-CG 4.33Å; P1841-E1864 VanDerWaalsContact CG-OE2 3.28Å; P1841-E1864 WeakPolarHBondContact CG-OE2 3.33Å; P1841-Y1878 VanDerWaalsContact CD-CE1 3.46Å; P1841-Y1878 WeakPolarHBondContact CD-OH 3.36Å; P1841-Y1878 HydrophobicContact CG-CD2 4.48Å; P1841-Y1878 HydrophobicContact CG-CE1 4.1Å; P1841-Y1878 HydrophobicContact CG-CE2 3.81Å |
| 1842 | F | 90.6 | Very high | 77.9 | Confident | 0.2 Ų | 0.2 | 41 Ų | 41 | 0% | 0.001 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.4 | -45.2 | 179.4 | -66 | -83.8 | 0 | 0 | 0 | 110.5 | A1642 I1645 D1840 R1844 S1845 I1846 F1861 Y1878 D1882 V1883 F1886 | A1642-F1842 HydrophobicContact CB-CD1 4.08Å; A1642-F1842 HydrophobicContact CB-CD2 3.8Å; A1642-F1842 HydrophobicContact CB-CE1 3.92Å; A1642-F1842 HydrophobicContact CB-CE2 3.68Å; A1642-F1842 HydrophobicContact CB-CG 3.99Å; A1642-F1842 HydrophobicContact CB-CZ 3.72Å; I1645-F1842 HydrophobicContact CD1-CB 4.39Å; I1645-F1842 HydrophobicContact CD1-CD1 4.2Å; I1645-F1842 HydrophobicContact CG2-CD1 3.96Å; D1840-F1842 VanDerWaalsContact C-N 3.32Å; D1840-F1842 PolarHBondContact O-N 2.86Å; D1840-F1842 WeakPolarHBondContact OD1-CB 3.41Å; D1840-F1842 PolarHBondContact OD1-N 3.11Å; F1842-R1844 VanDerWaalsContact C-N 3.28Å; F1842-R1844 PolarHBondContact O-N 3.08Å; F1842-S1845 WeakPolarHBondContact O-CB 3.36Å; F1842-S1845 PolarHBondContact O-N 3.23Å; F1842-S1845 VanDerWaalsContact O-N 3.16Å; F1842-I1846 VanDerWaalsContact O-CG1 3.3Å; F1842-I1846 WeakPolarHBondContact O-CG1 3.25Å; F1842-I1846 PolarHBondContact O-N 3.09Å; F1842-F1861 AromaticContact CD1-CE1 3.56Å; F1842-F1861 HydrophobicContact CD1-CE1 3.56Å; F1842-F1861 VanDerWaalsContact CD1-CE1 3.49Å; F1842-F1861 AromaticContact CD1-CZ 3.77Å; F1842-F1861 HydrophobicContact CD1-CZ 3.77Å; F1842-F1861 HydrophobicContact CD2-CE1 4.34Å; F1842-F1861 AromaticContact CE1-CE1 3.65Å; F1842-F1861 HydrophobicContact CE1-CE1 3.65Å; F1842-F1861 HydrophobicContact CE1-CZ 4.12Å; F1842-F1861 HydrophobicContact CE2-CE1 4.36Å; F1842-F1861 AromaticContact CG-CE1 3.94Å; F1842-F1861 HydrophobicContact CG-CE1 3.95Å; F1842-F1861 HydrophobicContact CG-CZ 4.37Å; F1842-F1861 AromaticContact CZ-CE1 3.97Å; F1842-F1861 HydrophobicContact CZ-CE1 4.06Å; F1842-Y1878 AromaticContact CD2-CD1 3.97Å; F1842-Y1878 HydrophobicContact CD2-CD1 4.09Å; F1842-Y1878 HydrophobicContact CD2-CD2 4.4Å; F1842-Y1878 AromaticContact CD2-CG 3.96Å; F1842-Y1878 HydrophobicContact CD2-CG 4.05Å; F1842-Y1878 VanDerWaalsContact CE2-CB 3.48Å; F1842-Y1878 HydrophobicContact CE2-CD1 4.11Å; F1842-Y1878 AromaticContact CE2-CD2 3.71Å; F1842-Y1878 HydrophobicContact CE2-CD2 3.71Å; F1842-Y1878 HydrophobicContact CE2-CE2 4.41Å; F1842-Y1878 AromaticContact CE2-CG 3.58Å; F1842-Y1878 HydrophobicContact CE2-CG 3.58Å; F1842-Y1878 VanDerWaalsContact CE2-CG 3.47Å; F1842-D1882 HydrophobicContact CE2-CB 4.47Å; F1842-D1882 HydrophobicContact CZ-CB 3.85Å; F1842-V1883 HydrophobicContact CE2-CG2 3.9Å; F1842-V1883 HydrophobicContact CZ-CB 4.46Å; F1842-V1883 HydrophobicContact CZ-CG2 3.87Å; F1842-F1886 HydrophobicContact CD1-CD1 4.36Å; F1842-F1886 HydrophobicContact CE1-CB 4Å; F1842-F1886 HydrophobicContact CE1-CD1 4.31Å; F1842-F1886 HydrophobicContact CE1-CG 4.29Å |
| 1843 | L | 87.8 | Confident | 79.2 | Confident | 35.2 Ų | 35.2 | 40.4 Ų | 40.4 | 18% | 0.184 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 174.1 | -171.4 | 63.2 | 0 | 0 | 0 | 111.3 | W1680 V1820 D1840 I1846 V1847 | W1680-L1843 HydrophobicContact CD2-CD1 4.35Å; W1680-L1843 HydrophobicContact CH2-CD1 4.03Å; W1680-L1843 HydrophobicContact CZ2-CD1 3.67Å; W1680-L1843 HydrophobicContact CZ3-CD1 4.48Å; V1820-L1843 HydrophobicContact CG1-CD1 4.47Å; V1820-L1843 HydrophobicContact CG1-CD2 3.76Å; V1820-L1843 HydrophobicContact CG1-CG 3.64Å; D1840-L1843 HydrophobicContact CB-CB 4Å; D1840-L1843 PolarHBondContact O-N 2.93Å; D1840-L1843 PolarHBondContact OD1-N 2.96Å; D1840-L1843 WeakPolarHBondContact OD2-CB 3.39Å; L1843-I1846 HydrophobicContact CD1-CD1 4.48Å; L1843-I1846 WeakPolarHBondContact O-CB 3.42Å; L1843-I1846 PolarHBondContact O-N 3.13Å; L1843-V1847 WeakPolarHBondContact O-CG2 3.18Å; L1843-V1847 PolarHBondContact O-N 3.03Å; L1843-V1847 VanDerWaalsContact O-N 3.08Å |
| 1844 | R | 87.4 | Confident | 80.6 | Confident | 1.8 Ų | 1.8 | 37.9 Ų | 37.9 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 172.5 | -154.4 | -172.3 | -48.7 | 160.8 | -2.2 | 112.2 | L1821 T1835 C1838 D1840 P1841 F1842 V1847 F1848 T1860 E1864 | L1821-R1844 HydrophobicContact CD2-CB 4.42Å; L1821-R1844 HydrophobicContact CD2-CG 3.39Å; T1835-R1844 PolarHBondContact O-NE 3.16Å; T1835-R1844 VanDerWaalsContact O-NE 3.13Å; T1835-R1844 PolarHBondContact O-NH1 3.26Å; T1835-R1844 VanDerWaalsContact O-NH1 3.15Å; T1835-R1844 PolarHBondContact O-NH2 3.21Å; T1835-R1844 VanDerWaalsContact O-NH2 3.13Å; C1838-R1844 HydrophobicContact CB-CG 4.27Å; C1838-R1844 PolarHBondContact O-NH2 2.97Å; D1840-R1844 WeakPolarHBondContact O-CB 3.41Å; D1840-R1844 PolarHBondContact O-N 3.15Å; D1840-R1844 VanDerWaalsContact O-N 3.08Å; P1841-R1844 WeakPolarHBondContact O-CB 3.43Å; P1841-R1844 PolarHBondContact O-N 3.11Å; F1842-R1844 VanDerWaalsContact C-N 3.28Å; F1842-R1844 PolarHBondContact O-N 3.08Å; R1844-V1847 PolarHBondContact O-N 2.97Å; R1844-F1848 HydrophobicContact CG-CD2 4.02Å; R1844-F1848 HydrophobicContact CG-CE2 3.59Å; R1844-F1848 VanDerWaalsContact CG-CE2 3.49Å; R1844-F1848 HydrophobicContact CG-CZ 4.31Å; R1844-F1848 WeakPolarHBondContact O-CD2 3.43Å; R1844-F1848 PolarHBondContact O-N 2.98Å; R1844-T1860 HydrophobicContact CB-CG2 3.89Å; R1844-T1860 VanDerWaalsContact CD-CG2 3.5Å; R1844-T1860 VanDerWaalsContact CD-OG1 3.28Å; R1844-T1860 WeakPolarHBondContact CD-OG1 3.38Å; R1844-T1860 HydrophobicContact CG-CG2 3.85Å; R1844-T1860 PolarHBondContact NH1-OG1 3.24Å; R1844-T1860 VanDerWaalsContact NH1-OG1 3.09Å; R1844-E1864 IonicContact CZ-OE1 3.72Å; R1844-E1864 IonicContact CZ-OE2 2.9Å; R1844-E1864 IonicContact NH2-OE1 3.86Å; R1844-E1864 PolarHBondContact NH2-OE1 2.92Å; R1844-E1864 IonicContact NH2-OE2 3.5Å; R1844-E1864 PolarHBondContact NH2-OE2 3.13Å |
| 1845 | S | 90.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.9 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | P1841 F1842 V1847 F1848 W1849 A1857 F1861 | P1841-S1845 WeakPolarHBondContact O-CB 3.36Å; P1841-S1845 PolarHBondContact O-N 3.19Å; F1842-S1845 WeakPolarHBondContact O-CB 3.36Å; F1842-S1845 PolarHBondContact O-N 3.23Å; F1842-S1845 VanDerWaalsContact O-N 3.16Å; S1845-V1847 VanDerWaalsContact C-N 3.28Å; S1845-V1847 PolarHBondContact O-N 3.17Å; S1845-F1848 PolarHBondContact O-N 3.2Å; S1845-W1849 VanDerWaalsContact O-CB 3.32Å; S1845-W1849 WeakPolarHBondContact O-CB 3.37Å; S1845-W1849 PolarHBondContact O-N 3.11Å; S1845-A1857 WeakPolarHBondContact CB-O 3.34Å; S1845-A1857 PolarHBondContact OG-O 3.08Å; S1845-A1857 VanDerWaalsContact OG-O 3.11Å; S1845-F1861 VanDerWaalsContact CB-CE2 3.48Å; S1845-F1861 VanDerWaalsContact CB-CZ 3.5Å; S1845-F1861 WeakPolarHBondContact OG-CE2 3.39Å |
| 1846 | I | 91.2 | Very high | 83.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | 174.7 | -71.1 | 167.5 | 0 | 0 | 0 | 109.8 | I1645 L1648 W1680 F1842 L1843 W1849 Y1850 | I1645-I1846 HydrophobicContact CB-CD1 4.18Å; I1645-I1846 HydrophobicContact CB-CG1 4.17Å; I1645-I1846 HydrophobicContact CD1-CG1 3.87Å; I1645-I1846 HydrophobicContact CG1-CD1 4.28Å; I1645-I1846 HydrophobicContact CG1-CG1 3.71Å; L1648-I1846 HydrophobicContact CD2-CB 4.25Å; L1648-I1846 HydrophobicContact CD2-CG1 4.02Å; L1648-I1846 HydrophobicContact CD2-CG2 4.13Å; W1680-I1846 HydrophobicContact CB-CG2 4.46Å; W1680-I1846 HydrophobicContact CD2-CG2 4.38Å; W1680-I1846 HydrophobicContact CE3-CG2 3.87Å; W1680-I1846 HydrophobicContact CZ3-CG2 4.49Å; F1842-I1846 VanDerWaalsContact O-CG1 3.3Å; F1842-I1846 WeakPolarHBondContact O-CG1 3.25Å; F1842-I1846 PolarHBondContact O-N 3.09Å; L1843-I1846 HydrophobicContact CD1-CD1 4.48Å; L1843-I1846 WeakPolarHBondContact O-CB 3.42Å; L1843-I1846 PolarHBondContact O-N 3.13Å; I1846-W1849 WeakPolarHBondContact O-CB 3.41Å; I1846-W1849 PolarHBondContact O-N 3.33Å; I1846-Y1850 HydrophobicContact CG2-CD2 3.99Å; I1846-Y1850 HydrophobicContact CG2-CE2 4.02Å; I1846-Y1850 VanDerWaalsContact O-CD2 3.31Å; I1846-Y1850 WeakPolarHBondContact O-CD2 3.46Å; I1846-Y1850 PolarHBondContact O-N 3.08Å; I1846-Y1850 VanDerWaalsContact O-N 3.08Å |
| 1847 | V | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -49.2 | 179.8 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | L1816 V1820 L1821 L1843 R1844 S1845 W1849 Y1850 L1851 | L1816-V1847 HydrophobicContact CB-CG1 3.77Å; L1816-V1847 HydrophobicContact CB-CG2 4.33Å; L1816-V1847 HydrophobicContact CD1-CG1 4.43Å; L1816-V1847 HydrophobicContact CD2-CG2 4.18Å; V1820-V1847 HydrophobicContact CB-CG2 3.85Å; V1820-V1847 HydrophobicContact CG1-CG2 3.62Å; V1820-V1847 HydrophobicContact CG2-CG2 4.03Å; L1821-V1847 HydrophobicContact CD1-CG1 3.9Å; L1821-V1847 HydrophobicContact CD2-CB 4.41Å; L1821-V1847 HydrophobicContact CD2-CG1 4.23Å; L1821-V1847 HydrophobicContact CG-CG1 3.93Å; L1843-V1847 WeakPolarHBondContact O-CG2 3.18Å; L1843-V1847 PolarHBondContact O-N 3.03Å; L1843-V1847 VanDerWaalsContact O-N 3.08Å; R1844-V1847 PolarHBondContact O-N 2.97Å; S1845-V1847 VanDerWaalsContact C-N 3.28Å; S1845-V1847 PolarHBondContact O-N 3.17Å; V1847-W1849 PolarHBondContact O-N 3.28Å; V1847-Y1850 WeakPolarHBondContact O-CA 3.37Å; V1847-Y1850 WeakPolarHBondContact O-CB 3.41Å; V1847-Y1850 PolarHBondContact O-N 3.2Å; V1847-L1851 HydrophobicContact CG1-CD1 3.97Å; V1847-L1851 HydrophobicContact CG1-CG 4.21Å; V1847-L1851 WeakPolarHBondContact O-CG 3.31Å; V1847-L1851 PolarHBondContact O-N 3.09Å |
| 1848 | F | 88.1 | Confident | 85.7 | Confident | 3.4 Ų | 3.4 | 27.2 Ų | 27.2 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -33 | 176.7 | -73.8 | -47.6 | 0 | 0 | 0 | 112.4 | L1821 F1829 T1835 R1844 S1845 L1851 K1852 E1853 L1856 A1857 T1860 | L1821-F1848 HydrophobicContact CD1-CD1 4.44Å; L1821-F1848 HydrophobicContact CD1-CE1 3.87Å; L1821-F1848 HydrophobicContact CD1-CZ 4.3Å; L1821-F1848 HydrophobicContact CD2-CE1 4.48Å; L1821-F1848 HydrophobicContact CD2-CE2 4.4Å; L1821-F1848 HydrophobicContact CD2-CZ 4.3Å; F1829-F1848 HydrophobicContact CB-CE1 4.31Å; F1829-F1848 AromaticContact CD1-CE1 3.92Å; F1829-F1848 HydrophobicContact CD1-CE1 3.98Å; F1829-F1848 HydrophobicContact CE1-CE1 4.46Å; F1829-F1848 HydrophobicContact CG-CE1 4.11Å; T1835-F1848 HydrophobicContact CG2-CZ 4.34Å; R1844-F1848 HydrophobicContact CG-CD2 4.02Å; R1844-F1848 HydrophobicContact CG-CE2 3.59Å; R1844-F1848 VanDerWaalsContact CG-CE2 3.49Å; R1844-F1848 HydrophobicContact CG-CZ 4.31Å; R1844-F1848 WeakPolarHBondContact O-CD2 3.43Å; R1844-F1848 PolarHBondContact O-N 2.98Å; S1845-F1848 PolarHBondContact O-N 3.2Å; F1848-L1851 HydrophobicContact CD1-CD1 4.42Å; F1848-L1851 CarbonylContact O-C 3.53Å; F1848-L1851 PolarHBondContact O-N 3.27Å; F1848-K1852 PolarHBondContact O-N 2.88Å; F1848-E1853 HydrophobicContact CB-CB 4.46Å; F1848-E1853 HydrophobicContact CD1-CB 4.44Å; F1848-E1853 PolarHBondContact O-N 3.09Å; F1848-L1856 HydrophobicContact CB-CB 4.49Å; F1848-L1856 HydrophobicContact CD1-CB 4.25Å; F1848-L1856 HydrophobicContact CD1-CD1 4.49Å; F1848-L1856 HydrophobicContact CD2-CB 4.21Å; F1848-L1856 HydrophobicContact CE1-CB 4.43Å; F1848-L1856 HydrophobicContact CE1-CD1 4.4Å; F1848-L1856 HydrophobicContact CE2-CB 4.43Å; F1848-L1856 HydrophobicContact CG-CB 4.11Å; F1848-A1857 HydrophobicContact CB-CB 3.76Å; F1848-T1860 WeakPolarHBondContact CD2-OG1 2.96Å; F1848-T1860 WeakPolarHBondContact CE2-OG1 3.4Å |
| 1849 | W | 91 | Very high | 86.6 | Confident | 26.8 Ų | 26.8 | 28.6 Ų | 28.6 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 172.8 | -161.9 | -92.5 | 0 | 0 | 0 | 112.5 | L1648 H1649 S1845 I1846 V1847 L1851 K1852 Y1854 A1857 L1890 H1893 L1895 V1896 | L1648-W1849 HydrophobicContact CD2-CB 4.15Å; L1648-W1849 HydrophobicContact CD2-CG 4.14Å; H1649-W1849 AromaticContact CE1-CD2 3.48Å; H1649-W1849 VanDerWaalsContact CE1-CD2 3.47Å; H1649-W1849 AromaticContact CE1-CE2 3.4Å; H1649-W1849 VanDerWaalsContact CE1-CE2 3.42Å; H1649-W1849 AromaticContact CE1-CE3 3.49Å; H1649-W1849 VanDerWaalsContact CE1-CE3 3.48Å; H1649-W1849 AromaticContact CE1-CH2 3.41Å; H1649-W1849 VanDerWaalsContact CE1-CH2 3.41Å; H1649-W1849 WeakPolarHBondContact CE1-CH2 3.34Å; H1649-W1849 AromaticContact CE1-CZ2 3.36Å; H1649-W1849 WeakPolarHBondContact CE1-CZ2 3.31Å; H1649-W1849 AromaticContact CE1-CZ3 3.48Å; H1649-W1849 VanDerWaalsContact CE1-CZ3 3.48Å; H1649-W1849 WeakPolarHBondContact CE1-CZ3 3.33Å; H1649-W1849 AromaticContact ND1-CE2 3.97Å; H1649-W1849 AromaticContact ND1-CH2 3.9Å; H1649-W1849 AromaticContact ND1-CZ2 3.67Å; H1649-W1849 AromaticContact NE2-CD2 3.96Å; S1845-W1849 VanDerWaalsContact O-CB 3.32Å; S1845-W1849 WeakPolarHBondContact O-CB 3.37Å; S1845-W1849 PolarHBondContact O-N 3.11Å; I1846-W1849 WeakPolarHBondContact O-CB 3.41Å; I1846-W1849 PolarHBondContact O-N 3.33Å; V1847-W1849 PolarHBondContact O-N 3.28Å; W1849-L1851 VanDerWaalsContact C-N 3.29Å; W1849-L1851 PolarHBondContact O-N 3.04Å; W1849-K1852 PolarHBondContact O-N 2.97Å; W1849-K1852 VanDerWaalsContact O-N 3.12Å; W1849-Y1854 AromaticContact CD2-CD1 3.69Å; W1849-Y1854 HydrophobicContact CD2-CD1 3.69Å; W1849-Y1854 AromaticContact CD2-CE1 3.86Å; W1849-Y1854 HydrophobicContact CD2-CE1 3.86Å; W1849-Y1854 AromaticContact CE2-CD1 3.92Å; W1849-Y1854 AromaticContact CE2-CE1 3.77Å; W1849-Y1854 AromaticContact CE3-CD1 3.51Å; W1849-Y1854 HydrophobicContact CE3-CD1 3.51Å; W1849-Y1854 VanDerWaalsContact CE3-CD1 3.49Å; W1849-Y1854 HydrophobicContact CE3-CE1 4.18Å; W1849-Y1854 HydrophobicContact CE3-CG 4.49Å; W1849-Y1854 HydrophobicContact CG-CD1 4.41Å; W1849-Y1854 HydrophobicContact CG-CE1 4.31Å; W1849-Y1854 AromaticContact CH2-CD1 3.83Å; W1849-Y1854 HydrophobicContact CH2-CD1 3.83Å; W1849-Y1854 HydrophobicContact CH2-CE1 4.31Å; W1849-Y1854 AromaticContact CZ2-CD1 3.99Å; W1849-Y1854 HydrophobicContact CZ2-CD1 4.02Å; W1849-Y1854 HydrophobicContact CZ2-CE1 4.04Å; W1849-Y1854 AromaticContact CZ3-CD1 3.57Å; W1849-Y1854 HydrophobicContact CZ3-CD1 3.57Å; W1849-Y1854 HydrophobicContact CZ3-CE1 4.37Å; W1849-Y1854 HydrophobicContact CZ3-CG 4.28Å; W1849-A1857 HydrophobicContact CE3-CB 4.04Å; W1849-L1890 HydrophobicContact CE3-CD2 4.32Å; W1849-L1890 HydrophobicContact CH2-CD2 4.32Å; W1849-L1890 HydrophobicContact CZ3-CD2 3.89Å; W1849-H1893 AromaticContact CH2-CE1 3.55Å; W1849-H1893 AromaticContact CH2-CG 3.88Å; W1849-H1893 AromaticContact CH2-ND1 3.58Å; W1849-H1893 AromaticContact CH2-NE2 3.91Å; W1849-H1893 AromaticContact CZ2-CE1 3.77Å; W1849-H1893 AromaticContact CZ2-NE2 3.94Å; W1849-L1895 HydrophobicContact CH2-CB 4.26Å; W1849-L1895 HydrophobicContact CH2-CD1 4.22Å; W1849-L1895 HydrophobicContact CZ2-CD1 3.85Å; W1849-V1896 HydrophobicContact CH2-CG2 4.36Å; W1849-V1896 HydrophobicContact CZ3-CG2 3.87Å |
| 1850 | Y | 86.5 | Confident | 87.3 | Confident | 46.4 Ų | 46.4 | 22.6 Ų | 22.6 | 18% | 0.182 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.2 | -35.9 | 173.3 | -90.7 | -71.8 | 0 | 0 | 0 | 112.7 | L1648 W1680 R1799 L1816 I1846 V1847 K1852 | L1648-Y1850 HydrophobicContact CD1-CE2 4.12Å; W1680-Y1850 VanDerWaalsContact O-CE2 3.25Å; W1680-Y1850 WeakPolarHBondContact O-CE2 3.33Å; W1680-Y1850 VanDerWaalsContact O-CZ 3.3Å; W1680-Y1850 PolarHBondContact O-OH 2.95Å; R1799-Y1850 PolarHBondContact NH1-OH 3.11Å; L1816-Y1850 HydrophobicContact CD1-CG 4.41Å; I1846-Y1850 HydrophobicContact CG2-CD2 3.99Å; I1846-Y1850 HydrophobicContact CG2-CE2 4.02Å; I1846-Y1850 VanDerWaalsContact O-CD2 3.31Å; I1846-Y1850 WeakPolarHBondContact O-CD2 3.46Å; I1846-Y1850 PolarHBondContact O-N 3.08Å; I1846-Y1850 VanDerWaalsContact O-N 3.08Å; V1847-Y1850 WeakPolarHBondContact O-CA 3.37Å; V1847-Y1850 WeakPolarHBondContact O-CB 3.41Å; V1847-Y1850 PolarHBondContact O-N 3.2Å; Y1850-K1852 PolarHBondContact O-N 3.15Å |
| 1851 | L | 85.1 | Confident | 87.5 | Confident | 26 Ų | 26 | 21.8 Ų | 21.8 | 14% | 0.136 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 1.8 | 175.9 | -61.9 | -178.1 | 0 | 0 | 0 | 113.5 | R1813 L1821 F1829 V1847 F1848 W1849 E1853 | R1813-L1851 HydrophobicContact CB-CD2 3.78Å; R1813-L1851 HydrophobicContact CG-CD2 3.58Å; L1821-L1851 HydrophobicContact CD1-CD1 4.24Å; F1829-L1851 HydrophobicContact CE1-CD1 4.49Å; F1829-L1851 HydrophobicContact CE2-CD1 4.42Å; F1829-L1851 HydrophobicContact CZ-CD1 4.04Å; V1847-L1851 HydrophobicContact CG1-CD1 3.97Å; V1847-L1851 HydrophobicContact CG1-CG 4.21Å; V1847-L1851 WeakPolarHBondContact O-CG 3.31Å; V1847-L1851 PolarHBondContact O-N 3.09Å; F1848-L1851 HydrophobicContact CD1-CD1 4.42Å; F1848-L1851 CarbonylContact O-C 3.53Å; F1848-L1851 PolarHBondContact O-N 3.27Å; W1849-L1851 VanDerWaalsContact C-N 3.29Å; W1849-L1851 PolarHBondContact O-N 3.04Å; L1851-E1853 HydrophobicContact CB-CG 4.44Å; L1851-E1853 PolarHBondContact O-N 3.22Å |
| 1852 | K | 86.9 | Confident | 87.3 | Confident | 107.6 Ų | 107.6 | 22.8 Ų | 22.8 | 47% | 0.468 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 16.3 | -176.7 | -55.5 | 170.1 | -176.6 | 156.4 | 0 | 113.7 | E1809 F1848 W1849 Y1850 Y1854 | E1809-K1852 VanDerWaalsContact CD-NZ 3.35Å; E1809-K1852 VanDerWaalsContact OE1-CE 3.29Å; E1809-K1852 WeakPolarHBondContact OE1-CE 3.31Å; E1809-K1852 IonicContact OE1-NZ 3.6Å; E1809-K1852 PolarHBondContact OE1-NZ 3.18Å; E1809-K1852 IonicContact OE2-NZ 3.67Å; E1809-K1852 PolarHBondContact OE2-NZ 3.29Å; F1848-K1852 PolarHBondContact O-N 2.88Å; W1849-K1852 PolarHBondContact O-N 2.97Å; W1849-K1852 VanDerWaalsContact O-N 3.12Å; Y1850-K1852 PolarHBondContact O-N 3.15Å; K1852-Y1854 VanDerWaalsContact C-N 3.31Å; K1852-Y1854 HydrophobicContact CB-CE2 4.32Å; K1852-Y1854 WeakPolarHBondContact O-CD2 3.41Å; K1852-Y1854 PolarHBondContact O-N 3.23Å; K1852-Y1854 VanDerWaalsContact O-N 3.15Å |
| 1853 | E | 87 | Confident | 86.3 | Confident | 59 Ų | 59 | 25 Ų | 25 | 28% | 0.276 | 12% | 0.123 | S | C | . | . | trans | -90.1 | 66.1 | 175.2 | -68 | -60.5 | 166.8 | 0 | 0 | 110.7 | F1848 L1851 A1855 L1856 A1857 K1899 | F1848-E1853 HydrophobicContact CB-CB 4.46Å; F1848-E1853 HydrophobicContact CD1-CB 4.44Å; F1848-E1853 PolarHBondContact O-N 3.09Å; L1851-E1853 HydrophobicContact CB-CG 4.44Å; L1851-E1853 PolarHBondContact O-N 3.22Å; E1853-A1855 VanDerWaalsContact C-N 3.31Å; E1853-A1855 PolarHBondContact O-N 3.24Å; E1853-L1856 HydrophobicContact CB-CB 4.19Å; E1853-L1856 HydrophobicContact CB-CD1 4.12Å; E1853-L1856 HydrophobicContact CB-CG 4.38Å; E1853-L1856 HydrophobicContact CG-CD1 4.36Å; E1853-L1856 PolarHBondContact O-N 3.08Å; E1853-L1856 VanDerWaalsContact O-N 3.14Å; E1853-A1857 PolarHBondContact O-N 3.29Å; E1853-K1899 WeakPolarHBondContact OE2-CE 3.44Å; E1853-K1899 IonicContact OE2-NZ 2.66Å; E1853-K1899 PolarHBondContact OE2-NZ 2.91Å | ||
| 1854 | Y | 90.4 | Very high | 85.1 | Confident | 51.2 Ų | 51.2 | 26 Ų | 26 | 20% | 0.201 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -33.7 | -171.1 | -54.1 | -57.6 | 0 | 0 | 0 | 113.9 | W1849 K1852 A1857 A1858 L1895 K1899 | W1849-Y1854 AromaticContact CD2-CD1 3.69Å; W1849-Y1854 HydrophobicContact CD2-CD1 3.69Å; W1849-Y1854 AromaticContact CD2-CE1 3.86Å; W1849-Y1854 HydrophobicContact CD2-CE1 3.86Å; W1849-Y1854 AromaticContact CE2-CD1 3.92Å; W1849-Y1854 AromaticContact CE2-CE1 3.77Å; W1849-Y1854 AromaticContact CE3-CD1 3.51Å; W1849-Y1854 HydrophobicContact CE3-CD1 3.51Å; W1849-Y1854 VanDerWaalsContact CE3-CD1 3.49Å; W1849-Y1854 HydrophobicContact CE3-CE1 4.18Å; W1849-Y1854 HydrophobicContact CE3-CG 4.49Å; W1849-Y1854 HydrophobicContact CG-CD1 4.41Å; W1849-Y1854 HydrophobicContact CG-CE1 4.31Å; W1849-Y1854 AromaticContact CH2-CD1 3.83Å; W1849-Y1854 HydrophobicContact CH2-CD1 3.83Å; W1849-Y1854 HydrophobicContact CH2-CE1 4.31Å; W1849-Y1854 AromaticContact CZ2-CD1 3.99Å; W1849-Y1854 HydrophobicContact CZ2-CD1 4.02Å; W1849-Y1854 HydrophobicContact CZ2-CE1 4.04Å; W1849-Y1854 AromaticContact CZ3-CD1 3.57Å; W1849-Y1854 HydrophobicContact CZ3-CD1 3.57Å; W1849-Y1854 HydrophobicContact CZ3-CE1 4.37Å; W1849-Y1854 HydrophobicContact CZ3-CG 4.28Å; K1852-Y1854 VanDerWaalsContact C-N 3.31Å; K1852-Y1854 HydrophobicContact CB-CE2 4.32Å; K1852-Y1854 WeakPolarHBondContact O-CD2 3.41Å; K1852-Y1854 PolarHBondContact O-N 3.23Å; K1852-Y1854 VanDerWaalsContact O-N 3.15Å; Y1854-A1857 PolarHBondContact O-N 3.04Å; Y1854-A1858 PolarHBondContact O-N 3.26Å; Y1854-L1895 HydrophobicContact CD1-CB 4.44Å; Y1854-L1895 HydrophobicContact CD1-CD1 4.5Å; Y1854-L1895 HydrophobicContact CD2-CB 3.98Å; Y1854-L1895 HydrophobicContact CE1-CD1 4.15Å; Y1854-L1895 HydrophobicContact CE2-CB 4.27Å; Y1854-L1895 HydrophobicContact CE2-CD1 4.32Å; Y1854-L1895 HydrophobicContact CG-CB 4.08Å; Y1854-K1899 HydrophobicContact CD2-CB 4.48Å |
| 1855 | A | 85.6 | Confident | 83.6 | Confident | 12.8 Ų | 12.8 | 27 Ų | 27 | 11% | 0.106 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1853 A1858 S1859 K1899 R1900 | E1853-A1855 VanDerWaalsContact C-N 3.31Å; E1853-A1855 PolarHBondContact O-N 3.24Å; A1855-A1858 PolarHBondContact O-N 3.06Å; A1855-S1859 PolarHBondContact O-N 3.13Å; A1855-S1859 PolarHBondContact O-OG 3.07Å; A1855-K1899 HydrophobicContact CB-CB 4.41Å; A1855-K1899 HydrophobicContact CB-CG 3.9Å; A1855-R1900 HydrophobicContact CB-CG 4.16Å |
| 1856 | L | 84.5 | Confident | 81.7 | Confident | 36.8 Ų | 36.8 | 31.6 Ų | 31.6 | 19% | 0.193 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70 | -35.9 | 177.1 | -63.2 | -178.6 | 0 | 0 | 0 | 112.3 | F1829 F1848 E1853 A1858 S1859 T1860 | F1829-L1856 HydrophobicContact CB-CD1 3.54Å; F1829-L1856 VanDerWaalsContact CB-CD1 3.48Å; F1829-L1856 HydrophobicContact CD2-CD1 4.32Å; F1829-L1856 HydrophobicContact CG-CD1 4.39Å; F1848-L1856 HydrophobicContact CB-CB 4.49Å; F1848-L1856 HydrophobicContact CD1-CB 4.25Å; F1848-L1856 HydrophobicContact CD1-CD1 4.49Å; F1848-L1856 HydrophobicContact CD2-CB 4.21Å; F1848-L1856 HydrophobicContact CE1-CB 4.43Å; F1848-L1856 HydrophobicContact CE1-CD1 4.4Å; F1848-L1856 HydrophobicContact CE2-CB 4.43Å; F1848-L1856 HydrophobicContact CG-CB 4.11Å; E1853-L1856 HydrophobicContact CB-CB 4.19Å; E1853-L1856 HydrophobicContact CB-CD1 4.12Å; E1853-L1856 HydrophobicContact CB-CG 4.38Å; E1853-L1856 HydrophobicContact CG-CD1 4.36Å; E1853-L1856 PolarHBondContact O-N 3.08Å; E1853-L1856 VanDerWaalsContact O-N 3.14Å; L1856-A1858 VanDerWaalsContact C-N 3.28Å; L1856-A1858 PolarHBondContact O-N 3.19Å; L1856-S1859 WeakPolarHBondContact CA-OG 3.29Å; L1856-S1859 PolarHBondContact O-N 3.21Å; L1856-S1859 PolarHBondContact O-OG 3.12Å; L1856-T1860 PolarHBondContact O-N 3.33Å; L1856-T1860 PolarHBondContact O-OG1 3.35Å |
| 1857 | A | 88.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.6 | -37.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | S1845 F1848 W1849 E1853 Y1854 T1860 F1861 | S1845-A1857 WeakPolarHBondContact CB-O 3.34Å; S1845-A1857 PolarHBondContact OG-O 3.08Å; S1845-A1857 VanDerWaalsContact OG-O 3.11Å; F1848-A1857 HydrophobicContact CB-CB 3.76Å; W1849-A1857 HydrophobicContact CE3-CB 4.04Å; E1853-A1857 PolarHBondContact O-N 3.29Å; Y1854-A1857 PolarHBondContact O-N 3.04Å; A1857-T1860 VanDerWaalsContact O-CG2 3.27Å; A1857-T1860 WeakPolarHBondContact O-CG2 3.43Å; A1857-F1861 WeakPolarHBondContact O-CE2 3.39Å |
| 1858 | A | 87.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -79 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1854 A1855 L1856 T1860 F1861 Y1887 L1890 V1896 | Y1854-A1858 PolarHBondContact O-N 3.26Å; A1855-A1858 PolarHBondContact O-N 3.06Å; L1856-A1858 VanDerWaalsContact C-N 3.28Å; L1856-A1858 PolarHBondContact O-N 3.19Å; A1858-T1860 VanDerWaalsContact C-N 3.26Å; A1858-T1860 PolarHBondContact O-N 3.07Å; A1858-F1861 PolarHBondContact O-N 3.24Å; A1858-Y1887 HydrophobicContact CB-CE2 4.48Å; A1858-Y1887 WeakPolarHBondContact O-CD2 3.37Å; A1858-Y1887 VanDerWaalsContact O-CE2 3.31Å; A1858-Y1887 WeakPolarHBondContact O-CE2 3.3Å; A1858-L1890 HydrophobicContact CB-CB 4.23Å; A1858-L1890 HydrophobicContact CB-CD1 4.35Å; A1858-V1896 HydrophobicContact CB-CG1 3.77Å; A1858-V1896 HydrophobicContact CB-CG2 4.46Å |
| 1859 | S | 84.4 | Confident | 75.8 | Confident | 39.6 Ų | 39.6 | 45.2 Ų | 45.2 | 28% | 0.277 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68 | -22.8 | -175.5 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | A1855 L1856 F1861 L1862 T1863 | A1855-S1859 PolarHBondContact O-N 3.13Å; A1855-S1859 PolarHBondContact O-OG 3.07Å; L1856-S1859 WeakPolarHBondContact CA-OG 3.29Å; L1856-S1859 PolarHBondContact O-N 3.21Å; L1856-S1859 PolarHBondContact O-OG 3.12Å; S1859-F1861 PolarHBondContact O-N 2.95Å; S1859-F1861 VanDerWaalsContact O-N 3.12Å; S1859-L1862 WeakPolarHBondContact O-CB 3.3Å; S1859-L1862 PolarHBondContact O-N 3.22Å; S1859-T1863 PolarHBondContact O-N 3.18Å; S1859-T1863 VanDerWaalsContact O-N 3.12Å; S1859-T1863 PolarHBondContact O-OG1 3.24Å |
| 1860 | T | 84.4 | Confident | 73.5 | Confident | 2.4 Ų | 2.4 | 53.3 Ų | 53.3 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.7 | -28.2 | 177.8 | -152.6 | 0 | 0 | 0 | 0 | 113.6 | P1841 R1844 F1848 L1856 A1857 A1858 L1862 T1863 E1864 | P1841-T1860 HydrophobicContact CB-CG2 4.08Å; R1844-T1860 HydrophobicContact CB-CG2 3.89Å; R1844-T1860 VanDerWaalsContact CD-CG2 3.5Å; R1844-T1860 VanDerWaalsContact CD-OG1 3.28Å; R1844-T1860 WeakPolarHBondContact CD-OG1 3.38Å; R1844-T1860 HydrophobicContact CG-CG2 3.85Å; R1844-T1860 PolarHBondContact NH1-OG1 3.24Å; R1844-T1860 VanDerWaalsContact NH1-OG1 3.09Å; F1848-T1860 WeakPolarHBondContact CD2-OG1 2.96Å; F1848-T1860 WeakPolarHBondContact CE2-OG1 3.4Å; L1856-T1860 PolarHBondContact O-N 3.33Å; L1856-T1860 PolarHBondContact O-OG1 3.35Å; A1857-T1860 VanDerWaalsContact O-CG2 3.27Å; A1857-T1860 WeakPolarHBondContact O-CG2 3.43Å; A1858-T1860 VanDerWaalsContact C-N 3.26Å; A1858-T1860 PolarHBondContact O-N 3.07Å; T1860-L1862 VanDerWaalsContact C-N 3.31Å; T1860-L1862 PolarHBondContact O-N 3.06Å; T1860-T1863 PolarHBondContact O-OG1 3.09Å; T1860-T1863 VanDerWaalsContact O-OG1 3.09Å; T1860-E1864 PolarHBondContact O-N 3.03Å |
| 1861 | F | 86.3 | Confident | 71.4 | Confident | 5.2 Ų | 5.2 | 53.5 Ų | 53.5 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -77.4 | -18 | 177.7 | -65 | -69.8 | 0 | 0 | 0 | 113.2 | I1645 P1841 F1842 S1845 A1857 A1858 S1859 V1883 F1886 Y1887 L1890 | I1645-F1861 HydrophobicContact CD1-CZ 4.29Å; P1841-F1861 HydrophobicContact CB-CD1 4.07Å; P1841-F1861 HydrophobicContact CB-CE1 4.07Å; P1841-F1861 HydrophobicContact CG-CD1 4.49Å; P1841-F1861 HydrophobicContact CG-CE1 4.45Å; F1842-F1861 AromaticContact CD1-CE1 3.56Å; F1842-F1861 HydrophobicContact CD1-CE1 3.56Å; F1842-F1861 VanDerWaalsContact CD1-CE1 3.49Å; F1842-F1861 AromaticContact CD1-CZ 3.77Å; F1842-F1861 HydrophobicContact CD1-CZ 3.77Å; F1842-F1861 HydrophobicContact CD2-CE1 4.34Å; F1842-F1861 AromaticContact CE1-CE1 3.65Å; F1842-F1861 HydrophobicContact CE1-CE1 3.65Å; F1842-F1861 HydrophobicContact CE1-CZ 4.12Å; F1842-F1861 HydrophobicContact CE2-CE1 4.36Å; F1842-F1861 AromaticContact CG-CE1 3.94Å; F1842-F1861 HydrophobicContact CG-CE1 3.95Å; F1842-F1861 HydrophobicContact CG-CZ 4.37Å; F1842-F1861 AromaticContact CZ-CE1 3.97Å; F1842-F1861 HydrophobicContact CZ-CE1 4.06Å; S1845-F1861 VanDerWaalsContact CB-CE2 3.48Å; S1845-F1861 VanDerWaalsContact CB-CZ 3.5Å; S1845-F1861 WeakPolarHBondContact OG-CE2 3.39Å; A1857-F1861 WeakPolarHBondContact O-CE2 3.39Å; A1858-F1861 PolarHBondContact O-N 3.24Å; S1859-F1861 PolarHBondContact O-N 2.95Å; S1859-F1861 VanDerWaalsContact O-N 3.12Å; F1861-V1883 HydrophobicContact CB-CG1 3.97Å; F1861-V1883 HydrophobicContact CD1-CG1 3.93Å; F1861-V1883 HydrophobicContact CD1-CG2 4.49Å; F1861-V1883 HydrophobicContact CG-CG1 4.36Å; F1861-F1886 HydrophobicContact CD2-CD1 4.33Å; F1861-F1886 HydrophobicContact CE1-CD1 4.2Å; F1861-F1886 AromaticContact CE2-CD1 3.47Å; F1861-F1886 HydrophobicContact CE2-CD1 3.47Å; F1861-F1886 VanDerWaalsContact CE2-CD1 3.46Å; F1861-F1886 AromaticContact CE2-CE1 3.59Å; F1861-F1886 HydrophobicContact CE2-CE1 3.59Å; F1861-F1886 AromaticContact CZ-CD1 3.38Å; F1861-F1886 HydrophobicContact CZ-CD1 3.38Å; F1861-F1886 AromaticContact CZ-CE1 3.66Å; F1861-F1886 HydrophobicContact CZ-CE1 3.66Å; F1861-Y1887 HydrophobicContact CB-CD2 3.91Å; F1861-Y1887 HydrophobicContact CB-CG 4.42Å; F1861-Y1887 HydrophobicContact CD2-CD2 4.42Å; F1861-L1890 HydrophobicContact CD2-CD1 4.4Å; F1861-L1890 HydrophobicContact CE2-CD1 3.88Å |
| 1862 | L | 81.7 | Confident | 69.4 | Low | 22.6 Ų | 22.6 | 58.6 Ų | 58.6 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -86.9 | -30.6 | 176.6 | -61.1 | -178.6 | 0 | 0 | 0 | 112.3 | S1859 T1860 E1864 T1865 Y1887 I1928 E1929 L1932 | S1859-L1862 WeakPolarHBondContact O-CB 3.3Å; S1859-L1862 PolarHBondContact O-N 3.22Å; T1860-L1862 VanDerWaalsContact C-N 3.31Å; T1860-L1862 PolarHBondContact O-N 3.06Å; L1862-E1864 VanDerWaalsContact C-N 3.32Å; L1862-E1864 PolarHBondContact O-N 3.15Å; L1862-E1864 VanDerWaalsContact O-N 3.16Å; L1862-T1865 PolarHBondContact O-N 3.36Å; L1862-T1865 PolarHBondContact O-OG1 3.09Å; L1862-Y1887 HydrophobicContact CD1-CE2 4.07Å; L1862-Y1887 WeakPolarHBondContact CD1-OH 3.39Å; L1862-Y1887 HydrophobicContact CD2-CD1 4.35Å; L1862-Y1887 HydrophobicContact CD2-CD2 4.29Å; L1862-Y1887 HydrophobicContact CD2-CE1 4Å; L1862-Y1887 HydrophobicContact CD2-CE2 3.86Å; L1862-Y1887 HydrophobicContact CD2-CG 4.49Å; L1862-Y1887 HydrophobicContact CG-CD2 4.39Å; L1862-Y1887 HydrophobicContact CG-CE2 3.75Å; L1862-I1928 HydrophobicContact CB-CG2 3.84Å; L1862-I1928 HydrophobicContact CD1-CG2 4.49Å; L1862-I1928 HydrophobicContact CD2-CG2 4.37Å; L1862-I1928 WeakPolarHBondContact O-CG2 3.39Å; L1862-E1929 HydrophobicContact CD1-CG 3.85Å; L1862-E1929 HydrophobicContact CD2-CB 4.43Å; L1862-E1929 HydrophobicContact CD2-CG 3.85Å; L1862-E1929 HydrophobicContact CG-CG 4.42Å; L1862-L1932 HydrophobicContact CD2-CB 4.44Å; L1862-L1932 HydrophobicContact CD2-CD2 4.06Å |
| 1863 | T | 70.1 | Confident | 67.1 | Low | 46.4 Ų | 46.4 | 61 Ų | 61 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | 9.3 | -179.9 | -33.2 | 0 | 0 | 0 | 0 | 110.5 | K1836 S1859 T1860 T1865 D1866 | K1836-T1863 HydrophobicContact CG-CG2 4.44Å; S1859-T1863 PolarHBondContact O-N 3.18Å; S1859-T1863 VanDerWaalsContact O-N 3.12Å; S1859-T1863 PolarHBondContact O-OG1 3.24Å; T1860-T1863 PolarHBondContact O-OG1 3.09Å; T1860-T1863 VanDerWaalsContact O-OG1 3.09Å; T1863-T1865 VanDerWaalsContact C-N 3.25Å; T1863-T1865 PolarHBondContact O-N 3.14Å; T1863-D1866 PolarHBondContact O-N 3.11Å |
| 1864 | E | 62.1 | Low | 64.9 | Low | 56.8 Ų | 56.8 | 61.5 Ų | 61.5 | 27% | 0.265 | 32% | 0.319 | S | S | . | . | trans | -72.1 | 21.9 | 178.5 | -104.4 | 165 | 169.7 | 0 | 0 | 111.7 | P1841 R1844 T1860 L1862 D1866 L1867 R1868 I1874 Y1878 K1931 | P1841-E1864 HydrophobicContact CB-CG 4.5Å; P1841-E1864 WeakPolarHBondContact CB-OE2 3.18Å; P1841-E1864 WeakPolarHBondContact CD-OE1 3.22Å; P1841-E1864 WeakPolarHBondContact CD-OE2 3.47Å; P1841-E1864 HydrophobicContact CG-CG 4.33Å; P1841-E1864 VanDerWaalsContact CG-OE2 3.28Å; P1841-E1864 WeakPolarHBondContact CG-OE2 3.33Å; R1844-E1864 IonicContact CZ-OE1 3.72Å; R1844-E1864 IonicContact CZ-OE2 2.9Å; R1844-E1864 IonicContact NH2-OE1 3.86Å; R1844-E1864 PolarHBondContact NH2-OE1 2.92Å; R1844-E1864 IonicContact NH2-OE2 3.5Å; R1844-E1864 PolarHBondContact NH2-OE2 3.13Å; T1860-E1864 PolarHBondContact O-N 3.03Å; L1862-E1864 VanDerWaalsContact C-N 3.32Å; L1862-E1864 PolarHBondContact O-N 3.15Å; L1862-E1864 VanDerWaalsContact O-N 3.16Å; E1864-D1866 VanDerWaalsContact C-N 3.26Å; E1864-D1866 PolarHBondContact O-N 3.02Å; E1864-D1866 VanDerWaalsContact O-N 3.11Å; E1864-L1867 HydrophobicContact CG-CB 4.42Å; E1864-L1867 HydrophobicContact CG-CD1 4.47Å; E1864-L1867 PolarHBondContact O-N 3.43Å; E1864-L1867 VanDerWaalsContact O-N 3.1Å; E1864-R1868 WeakPolarHBondContact O-CB 3.4Å; E1864-R1868 PolarHBondContact O-N 2.9Å; E1864-I1874 WeakPolarHBondContact OE1-CD1 3.21Å; E1864-Y1878 PolarHBondContact OE1-OH 3.41Å; E1864-Y1878 PolarHBondContact OE2-OH 3.49Å; E1864-K1931 WeakPolarHBondContact OE1-CD 3.49Å; E1864-K1931 VanDerWaalsContact OE1-CE 3.26Å; E1864-K1931 WeakPolarHBondContact OE1-CE 3.27Å; E1864-K1931 IonicContact OE1-NZ 3.22Å; E1864-K1931 PolarHBondContact OE1-NZ 3.29Å; E1864-K1931 IonicContact OE2-NZ 3.83Å; E1864-K1931 PolarHBondContact OE2-NZ 2.8Å | ||
| 1865 | T | 54.7 | Low | 62.8 | Low | 23.4 Ų | 23.4 | 61.6 Ų | 61.6 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | trans | -59.4 | 9.6 | 165.5 | 52.6 | 0 | 0 | 0 | 0 | 109 | L1862 T1863 L1867 A1869 L1932 | L1862-T1865 PolarHBondContact O-N 3.36Å; L1862-T1865 PolarHBondContact O-OG1 3.09Å; T1863-T1865 VanDerWaalsContact C-N 3.25Å; T1863-T1865 PolarHBondContact O-N 3.14Å; T1865-L1867 WeakPolarHBondContact O-CG 3.4Å; T1865-L1867 PolarHBondContact O-N 2.93Å; T1865-A1869 PolarHBondContact O-N 2.92Å; T1865-L1932 HydrophobicContact CG2-CB 4.28Å; T1865-L1932 HydrophobicContact CG2-CD1 3.79Å; T1865-L1932 VanDerWaalsContact CG2-CD1 3.48Å; T1865-L1932 HydrophobicContact CG2-CG 4.29Å | ||
| 1866 | D | 51 | Low | 61.2 | Low | 96.8 Ų | 96.8 | 64.7 Ų | 64.7 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | trans | -70.7 | 9.6 | 177.2 | -72.8 | -37.4 | 0 | 0 | 0 | 112.5 | T1863 E1864 R1868 A1869 R1870 K1931 | T1863-D1866 PolarHBondContact O-N 3.11Å; E1864-D1866 VanDerWaalsContact C-N 3.26Å; E1864-D1866 PolarHBondContact O-N 3.02Å; E1864-D1866 VanDerWaalsContact O-N 3.11Å; D1866-R1868 PolarHBondContact O-N 3.08Å; D1866-R1868 VanDerWaalsContact O-N 3.14Å; D1866-A1869 HydrophobicContact CB-CB 3.63Å; D1866-A1869 PolarHBondContact O-N 3.14Å; D1866-A1869 VanDerWaalsContact O-N 3.09Å; D1866-R1870 WeakPolarHBondContact O-CG 3.36Å; D1866-R1870 PolarHBondContact O-N 3.14Å; D1866-R1870 VanDerWaalsContact O-N 3.14Å; D1866-K1931 IonicContact OD1-NZ 3.37Å; D1866-K1931 PolarHBondContact OD1-NZ 3.12Å | ||
| 1867 | L | 50 | Low | 60.1 | Low | 78.4 Ų | 78.4 | 67.8 Ų | 67.8 | 41% | 0.41 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -29.9 | 179 | -69.3 | 176.6 | 0 | 0 | 0 | 111.1 | K1836 E1864 T1865 A1869 R1870 S1871 Y1878 | K1836-L1867 HydrophobicContact CG-CD1 4.18Å; E1864-L1867 HydrophobicContact CG-CB 4.42Å; E1864-L1867 HydrophobicContact CG-CD1 4.47Å; E1864-L1867 PolarHBondContact O-N 3.43Å; E1864-L1867 VanDerWaalsContact O-N 3.1Å; T1865-L1867 WeakPolarHBondContact O-CG 3.4Å; T1865-L1867 PolarHBondContact O-N 2.93Å; L1867-A1869 VanDerWaalsContact C-N 3.33Å; L1867-A1869 PolarHBondContact O-N 3.29Å; L1867-R1870 CarbonylContact O-C 3.57Å; L1867-R1870 PolarHBondContact O-N 3.06Å; L1867-S1871 VanDerWaalsContact O-CB 3.31Å; L1867-S1871 WeakPolarHBondContact O-CB 3.37Å; L1867-S1871 PolarHBondContact O-N 3.39Å; L1867-Y1878 HydrophobicContact CD2-CE2 4.16Å |
| 1868 | R | 48.7 | Very low | 59.4 | Low | 134.4 Ų | 134.4 | 68.8 Ų | 68.8 | 51% | 0.507 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -37.1 | 175.2 | -90.6 | -179.4 | 179.2 | 175.3 | -0.7 | 113 | E1864 D1866 R1870 S1871 I1874 Y1878 S1879 | E1864-R1868 WeakPolarHBondContact O-CB 3.4Å; E1864-R1868 PolarHBondContact O-N 2.9Å; D1866-R1868 PolarHBondContact O-N 3.08Å; D1866-R1868 VanDerWaalsContact O-N 3.14Å; R1868-R1870 PolarHBondContact O-N 3.22Å; R1868-S1871 PolarHBondContact O-N 3.11Å; R1868-I1874 HydrophobicContact CB-CD1 3.51Å; R1868-I1874 HydrophobicContact CG-CD1 3.82Å; R1868-Y1878 PolarHBondContact NH2-O 3.18Å; R1868-S1879 PolarHBondContact NH2-O 2.91Å |
| 1869 | A | 45.3 | Very low | 59 | Low | 77 Ų | 77 | 70.6 Ų | 70.6 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1865 D1866 L1867 | T1865-A1869 PolarHBondContact O-N 2.92Å; D1866-A1869 HydrophobicContact CB-CB 3.63Å; D1866-A1869 PolarHBondContact O-N 3.14Å; D1866-A1869 VanDerWaalsContact O-N 3.09Å; L1867-A1869 VanDerWaalsContact C-N 3.33Å; L1867-A1869 PolarHBondContact O-N 3.29Å |
| 1870 | R | 42.9 | Very low | 58.8 | Low | 195.8 Ų | 195.8 | 70.1 Ų | 70.1 | 74% | 0.739 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -116.8 | 12.9 | -178.4 | -74.5 | 179.4 | 92.2 | 170.3 | 2 | 114.5 | D1866 L1867 R1868 D1872 S1875 | D1866-R1870 WeakPolarHBondContact O-CG 3.36Å; D1866-R1870 PolarHBondContact O-N 3.14Å; D1866-R1870 VanDerWaalsContact O-N 3.14Å; L1867-R1870 CarbonylContact O-C 3.57Å; L1867-R1870 PolarHBondContact O-N 3.06Å; R1868-R1870 PolarHBondContact O-N 3.22Å; R1870-D1872 IonicContact CZ-OD2 2.69Å; R1870-D1872 IonicContact NE-OD2 3.62Å; R1870-D1872 PolarHBondContact NE-OD2 3.25Å; R1870-D1872 IonicContact NH2-OD2 3.95Å; R1870-D1872 PolarHBondContact NH2-OD2 2.91Å; R1870-D1872 PolarHBondContact O-N 2.98Å; R1870-S1875 PolarHBondContact O-OG 3.13Å |
| 1871 | S | 42.1 | Very low | 58.8 | Low | 51.4 Ų | 51.4 | 70.5 Ų | 70.5 | 36% | 0.359 | 38% | 0.382 | S | S | . | . | trans | -107.6 | 67 | -179.8 | -177.8 | 0 | 0 | 0 | 0 | 114.3 | L1867 R1868 L1873 | L1867-S1871 VanDerWaalsContact O-CB 3.31Å; L1867-S1871 WeakPolarHBondContact O-CB 3.37Å; L1867-S1871 PolarHBondContact O-N 3.39Å; R1868-S1871 PolarHBondContact O-N 3.11Å; S1871-L1873 PolarHBondContact O-N 2.99Å; S1871-L1873 VanDerWaalsContact O-N 3.12Å | ||
| 1872 | D | 42.6 | Very low | 58.9 | Low | 132.4 Ų | 132.4 | 71.5 Ų | 71.5 | 71% | 0.708 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -6.8 | 178.1 | -69.7 | -29.2 | 0 | 0 | 0 | 113.4 | R1870 I1874 S1875 | R1870-D1872 IonicContact CZ-OD2 2.69Å; R1870-D1872 IonicContact NE-OD2 3.62Å; R1870-D1872 PolarHBondContact NE-OD2 3.25Å; R1870-D1872 IonicContact NH2-OD2 3.95Å; R1870-D1872 PolarHBondContact NH2-OD2 2.91Å; R1870-D1872 PolarHBondContact O-N 2.98Å; D1872-I1874 VanDerWaalsContact C-N 3.35Å; D1872-I1874 PolarHBondContact O-N 3.08Å; D1872-S1875 WeakPolarHBondContact O-CB 3.41Å; D1872-S1875 PolarHBondContact O-N 3.31Å; D1872-S1875 PolarHBondContact O-OG 2.94Å |
| 1873 | L | 39.3 | Very low | 59.2 | Low | 159.2 Ų | 159.2 | 70.9 Ų | 70.9 | 83% | 0.834 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -11.2 | -172.5 | -77.9 | 142.9 | 0 | 0 | 0 | 115.9 | S1871 S1875 | S1871-L1873 PolarHBondContact O-N 2.99Å; S1871-L1873 VanDerWaalsContact O-N 3.12Å; L1873-S1875 PolarHBondContact O-N 2.83Å |
| 1874 | I | 40.3 | Very low | 60.1 | Low | 68.6 Ų | 68.6 | 68.7 Ų | 68.7 | 35% | 0.352 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -89.1 | -12.2 | -171.8 | -58.5 | 173.3 | 0 | 0 | 0 | 112.5 | Q1839 E1864 R1868 D1872 A1876 E1877 Y1878 | Q1839-I1874 HydrophobicContact CB-CD1 4.24Å; Q1839-I1874 VanDerWaalsContact CD-CD1 3.5Å; Q1839-I1874 HydrophobicContact CG-CD1 4.2Å; E1864-I1874 WeakPolarHBondContact OE1-CD1 3.21Å; R1868-I1874 HydrophobicContact CB-CD1 3.51Å; R1868-I1874 HydrophobicContact CG-CD1 3.82Å; D1872-I1874 VanDerWaalsContact C-N 3.35Å; D1872-I1874 PolarHBondContact O-N 3.08Å; I1874-A1876 PolarHBondContact O-N 3.11Å; I1874-E1877 PolarHBondContact O-N 3.26Å; I1874-Y1878 HydrophobicContact CG2-CE2 4.42Å |
| 1875 | S | 47.2 | Very low | 61.4 | Low | 53.2 Ų | 53.2 | 67.6 Ų | 67.6 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 27.3 | -178.3 | -64.8 | 0 | 0 | 0 | 0 | 114.6 | Q1220 R1870 D1872 L1873 E1877 Y1878 | Q1220-S1875 PolarHBondContact NE2-O 3.13Å; R1870-S1875 PolarHBondContact O-OG 3.13Å; D1872-S1875 WeakPolarHBondContact O-CB 3.41Å; D1872-S1875 PolarHBondContact O-N 3.31Å; D1872-S1875 PolarHBondContact O-OG 2.94Å; L1873-S1875 PolarHBondContact O-N 2.83Å; S1875-E1877 VanDerWaalsContact C-N 3.27Å; S1875-E1877 PolarHBondContact O-N 3.38Å; S1875-Y1878 WeakPolarHBondContact OG-CE1 3.19Å; S1875-Y1878 WeakPolarHBondContact OG-CE2 3.37Å; S1875-Y1878 PolarHBondContact OG-OH 3.4Å |
| 1876 | A | 52.2 | Low | 63.1 | Low | 79.2 Ų | 79.2 | 66.5 Ų | 66.5 | 66% | 0.655 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1220 I1874 | Q1220-A1876 HydrophobicContact CG-CB 4.16Å; I1874-A1876 PolarHBondContact O-N 3.11Å |
| 1877 | E | 61.9 | Low | 64.9 | Low | 100.4 Ų | 100.4 | 61.8 Ų | 61.8 | 47% | 0.469 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -87 | -26.3 | -171.6 | -65.9 | -172.4 | 164.7 | 0 | 0 | 113.5 | P1640 I1874 S1875 | P1640-E1877 WeakPolarHBondContact CB-O 3.46Å; I1874-E1877 PolarHBondContact O-N 3.26Å; S1875-E1877 VanDerWaalsContact C-N 3.27Å; S1875-E1877 PolarHBondContact O-N 3.38Å |
| 1878 | Y | 73.4 | Confident | 66.7 | Low | 20.6 Ų | 20.6 | 59.4 Ų | 59.4 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | trans | -153.2 | 148.1 | 179.2 | 55 | -90.6 | 0 | 0 | 0 | 112.4 | Q1839 P1841 F1842 E1864 L1867 R1868 I1874 S1875 V1883 | Q1839-Y1878 PolarHBondContact O-OH 3.2Å; P1841-Y1878 VanDerWaalsContact CD-CE1 3.46Å; P1841-Y1878 WeakPolarHBondContact CD-OH 3.36Å; P1841-Y1878 HydrophobicContact CG-CD2 4.48Å; P1841-Y1878 HydrophobicContact CG-CE1 4.1Å; P1841-Y1878 HydrophobicContact CG-CE2 3.81Å; F1842-Y1878 AromaticContact CD2-CD1 3.97Å; F1842-Y1878 HydrophobicContact CD2-CD1 4.09Å; F1842-Y1878 HydrophobicContact CD2-CD2 4.4Å; F1842-Y1878 AromaticContact CD2-CG 3.96Å; F1842-Y1878 HydrophobicContact CD2-CG 4.05Å; F1842-Y1878 VanDerWaalsContact CE2-CB 3.48Å; F1842-Y1878 HydrophobicContact CE2-CD1 4.11Å; F1842-Y1878 AromaticContact CE2-CD2 3.71Å; F1842-Y1878 HydrophobicContact CE2-CD2 3.71Å; F1842-Y1878 HydrophobicContact CE2-CE2 4.41Å; F1842-Y1878 AromaticContact CE2-CG 3.58Å; F1842-Y1878 HydrophobicContact CE2-CG 3.58Å; F1842-Y1878 VanDerWaalsContact CE2-CG 3.47Å; E1864-Y1878 PolarHBondContact OE1-OH 3.41Å; E1864-Y1878 PolarHBondContact OE2-OH 3.49Å; L1867-Y1878 HydrophobicContact CD2-CE2 4.16Å; R1868-Y1878 PolarHBondContact NH2-O 3.18Å; I1874-Y1878 HydrophobicContact CG2-CE2 4.42Å; S1875-Y1878 WeakPolarHBondContact OG-CE1 3.19Å; S1875-Y1878 WeakPolarHBondContact OG-CE2 3.37Å; S1875-Y1878 PolarHBondContact OG-OH 3.4Å; Y1878-V1883 HydrophobicContact CD2-CG2 3.8Å; Y1878-V1883 HydrophobicContact CE2-CG2 4.03Å | ||
| 1879 | S | 78.4 | Confident | 68.6 | Low | 38 Ų | 38 | 55.1 Ų | 55.1 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | trans | -88.6 | 164.5 | 178.7 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | E1382 R1385 R1868 S1881 D1882 V1883 | E1382-S1879 PolarHBondContact OE1-OG 3.04Å; E1382-S1879 VanDerWaalsContact OE1-OG 3.09Å; R1385-S1879 PolarHBondContact NH1-OG 3.1Å; R1868-S1879 PolarHBondContact NH2-O 2.91Å; S1879-S1881 PolarHBondContact O-N 3.15Å; S1879-S1881 WeakPolarHBondContact OG-CB 3.42Å; S1879-S1881 PolarHBondContact OG-N 3.33Å; S1879-D1882 WeakPolarHBondContact CB-OD2 3.45Å; S1879-D1882 PolarHBondContact N-OD2 3.21Å; S1879-D1882 WeakPolarHBondContact O-CB 3.31Å; S1879-D1882 PolarHBondContact O-N 3.24Å; S1879-D1882 VanDerWaalsContact O-N 3.13Å; S1879-D1882 PolarHBondContact OG-N 3.27Å; S1879-D1882 VanDerWaalsContact OG-N 3.13Å; S1879-D1882 PolarHBondContact OG-OD2 2.98Å; S1879-D1882 VanDerWaalsContact OG-OD2 3.12Å; S1879-V1883 PolarHBondContact O-N 3.25Å | ||
| 1880 | S | 79.8 | Confident | 70.7 | Confident | 29.8 Ų | 29.8 | 51.4 Ų | 51.4 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -34.6 | 169 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | V1883 F1884 T1939 | S1880-V1883 PolarHBondContact O-N 3.26Å; S1880-F1884 WeakPolarHBondContact O-CB 3.2Å; S1880-F1884 PolarHBondContact O-N 2.97Å; S1880-F1884 VanDerWaalsContact O-N 3.1Å; S1880-T1939 PolarHBondContact OG-OG1 3.07Å; S1880-T1939 VanDerWaalsContact OG-OG1 3.05Å |
| 1881 | S | 85.6 | Confident | 72.6 | Confident | 11.2 Ų | 11.2 | 42.7 Ų | 42.7 | 8% | 0.078 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | E1382 S1879 V1883 F1884 N1885 H1940 | E1382-S1881 WeakPolarHBondContact OE2-CB 3.35Å; E1382-S1881 PolarHBondContact OE2-OG 2.92Å; S1879-S1881 PolarHBondContact O-N 3.15Å; S1879-S1881 WeakPolarHBondContact OG-CB 3.42Å; S1879-S1881 PolarHBondContact OG-N 3.33Å; S1881-V1883 VanDerWaalsContact C-N 3.33Å; S1881-V1883 PolarHBondContact O-N 2.81Å; S1881-F1884 PolarHBondContact O-N 3.13Å; S1881-N1885 VanDerWaalsContact O-CB 3.29Å; S1881-N1885 WeakPolarHBondContact O-CB 3.4Å; S1881-N1885 VanDerWaalsContact O-CG 3.28Å; S1881-N1885 PolarHBondContact O-N 3.2Å; S1881-N1885 PolarHBondContact O-ND2 3.28Å; S1881-N1885 VanDerWaalsContact O-ND2 3.08Å; S1881-N1885 PolarHBondContact OG-ND2 3.18Å; S1881-N1885 VanDerWaalsContact OG-ND2 3.07Å; S1881-H1940 PolarHBondContact OG-CE1 3.14Å; S1881-H1940 PolarHBondContact OG-NE2 3.4Å |
| 1882 | D | 87 | Confident | 74.5 | Confident | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.5 | -64.6 | -42.6 | 0 | 0 | 0 | 111.4 | R1385 A1642 F1842 S1879 F1884 N1885 F1886 | R1385-D1882 WeakPolarHBondContact CD-OD1 3.31Å; R1385-D1882 IonicContact CZ-OD1 3.89Å; R1385-D1882 IonicContact CZ-OD2 3.05Å; R1385-D1882 IonicContact NE-OD1 3.21Å; R1385-D1882 PolarHBondContact NE-OD1 2.82Å; R1385-D1882 VanDerWaalsContact NH1-CG 3.29Å; R1385-D1882 IonicContact NH1-OD1 3.07Å; R1385-D1882 PolarHBondContact NH1-OD1 3.18Å; R1385-D1882 IonicContact NH1-OD2 3.68Å; R1385-D1882 PolarHBondContact NH1-OD2 2.84Å; R1385-D1882 IonicContact NH2-OD1 2.95Å; R1385-D1882 PolarHBondContact NH2-OD1 3.41Å; R1385-D1882 IonicContact NH2-OD2 3.26Å; R1385-D1882 PolarHBondContact NH2-OD2 2.98Å; A1642-D1882 HydrophobicContact CB-CB 4.2Å; F1842-D1882 HydrophobicContact CE2-CB 4.47Å; F1842-D1882 HydrophobicContact CZ-CB 3.85Å; S1879-D1882 WeakPolarHBondContact CB-OD2 3.45Å; S1879-D1882 PolarHBondContact N-OD2 3.21Å; S1879-D1882 WeakPolarHBondContact O-CB 3.31Å; S1879-D1882 PolarHBondContact O-N 3.24Å; S1879-D1882 VanDerWaalsContact O-N 3.13Å; S1879-D1882 PolarHBondContact OG-N 3.27Å; S1879-D1882 VanDerWaalsContact OG-N 3.13Å; S1879-D1882 PolarHBondContact OG-OD2 2.98Å; S1879-D1882 VanDerWaalsContact OG-OD2 3.12Å; D1882-F1884 VanDerWaalsContact C-N 3.34Å; D1882-F1884 PolarHBondContact O-N 3Å; D1882-N1885 PolarHBondContact O-N 3.28Å; D1882-F1886 WeakPolarHBondContact O-CB 3.34Å; D1882-F1886 PolarHBondContact O-N 3.08Å; D1882-F1886 VanDerWaalsContact O-N 3.12Å |
| 1883 | V | 87.9 | Confident | 76.5 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 177.1 | 172 | 0 | 0 | 0 | 0 | 110.2 | F1842 F1861 Y1878 S1879 S1880 S1881 Y1887 L1932 | F1842-V1883 HydrophobicContact CE2-CG2 3.9Å; F1842-V1883 HydrophobicContact CZ-CB 4.46Å; F1842-V1883 HydrophobicContact CZ-CG2 3.87Å; F1861-V1883 HydrophobicContact CB-CG1 3.97Å; F1861-V1883 HydrophobicContact CD1-CG1 3.93Å; F1861-V1883 HydrophobicContact CD1-CG2 4.49Å; F1861-V1883 HydrophobicContact CG-CG1 4.36Å; Y1878-V1883 HydrophobicContact CD2-CG2 3.8Å; Y1878-V1883 HydrophobicContact CE2-CG2 4.03Å; S1879-V1883 PolarHBondContact O-N 3.25Å; S1880-V1883 PolarHBondContact O-N 3.26Å; S1881-V1883 VanDerWaalsContact C-N 3.33Å; S1881-V1883 PolarHBondContact O-N 2.81Å; V1883-Y1887 VanDerWaalsContact O-CB 3.23Å; V1883-Y1887 WeakPolarHBondContact O-CB 3.22Å; V1883-Y1887 PolarHBondContact O-N 3Å; V1883-L1932 HydrophobicContact CG1-CD1 4.11Å |
| 1884 | F | 89.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -53.4 | 178.7 | 174 | -99.8 | 0 | 0 | 0 | 112.5 | S1880 S1881 D1882 F1886 Y1887 V1888 L1932 F1933 T1936 V1952 K1955 | S1880-F1884 WeakPolarHBondContact O-CB 3.2Å; S1880-F1884 PolarHBondContact O-N 2.97Å; S1880-F1884 VanDerWaalsContact O-N 3.1Å; S1881-F1884 PolarHBondContact O-N 3.13Å; D1882-F1884 VanDerWaalsContact C-N 3.34Å; D1882-F1884 PolarHBondContact O-N 3Å; F1884-F1886 VanDerWaalsContact C-N 3.3Å; F1884-F1886 PolarHBondContact O-N 3.16Å; F1884-Y1887 PolarHBondContact O-N 3.4Å; F1884-V1888 HydrophobicContact CD1-CG2 4.38Å; F1884-V1888 HydrophobicContact CD2-CG2 4.07Å; F1884-V1888 HydrophobicContact CE1-CG2 3.96Å; F1884-V1888 HydrophobicContact CE2-CG2 3.61Å; F1884-V1888 HydrophobicContact CG-CG2 4.43Å; F1884-V1888 HydrophobicContact CZ-CG2 3.56Å; F1884-V1888 WeakPolarHBondContact O-CB 3.4Å; F1884-V1888 VanDerWaalsContact O-CG2 3.29Å; F1884-V1888 WeakPolarHBondContact O-CG2 3.42Å; F1884-V1888 PolarHBondContact O-N 3.16Å; F1884-L1932 HydrophobicContact CB-CD1 4.37Å; F1884-L1932 HydrophobicContact CD2-CD2 4.49Å; F1884-L1932 HydrophobicContact CD2-CG 4.32Å; F1884-F1933 HydrophobicContact CD2-CG 4.48Å; F1884-F1933 HydrophobicContact CE2-CB 4.36Å; F1884-F1933 AromaticContact CE2-CD1 3.45Å; F1884-F1933 HydrophobicContact CE2-CD1 3.45Å; F1884-F1933 VanDerWaalsContact CE2-CD1 3.46Å; F1884-F1933 AromaticContact CE2-CD2 3.87Å; F1884-F1933 HydrophobicContact CE2-CD2 3.87Å; F1884-F1933 AromaticContact CE2-CE1 3.56Å; F1884-F1933 HydrophobicContact CE2-CE1 3.56Å; F1884-F1933 VanDerWaalsContact CE2-CE1 3.47Å; F1884-F1933 AromaticContact CE2-CE2 3.95Å; F1884-F1933 HydrophobicContact CE2-CE2 3.99Å; F1884-F1933 AromaticContact CE2-CG 3.62Å; F1884-F1933 HydrophobicContact CE2-CG 3.62Å; F1884-F1933 AromaticContact CE2-CZ 3.84Å; F1884-F1933 HydrophobicContact CE2-CZ 3.84Å; F1884-F1933 AromaticContact CZ-CD1 3.79Å; F1884-F1933 HydrophobicContact CZ-CD1 3.79Å; F1884-F1933 AromaticContact CZ-CE1 3.7Å; F1884-F1933 HydrophobicContact CZ-CE1 3.7Å; F1884-F1933 HydrophobicContact CZ-CG 4.42Å; F1884-F1933 HydrophobicContact CZ-CZ 4.26Å; F1884-T1936 HydrophobicContact CB-CG2 3.75Å; F1884-T1936 WeakPolarHBondContact CB-OG1 3.27Å; F1884-T1936 HydrophobicContact CD1-CG2 4.2Å; F1884-T1936 HydrophobicContact CD2-CG2 4.44Å; F1884-T1936 HydrophobicContact CG-CG2 3.89Å; F1884-V1952 HydrophobicContact CD1-CG1 4.5Å; F1884-V1952 HydrophobicContact CD1-CG2 4.09Å; F1884-V1952 HydrophobicContact CD2-CG1 4.46Å; F1884-V1952 HydrophobicContact CE1-CB 4.21Å; F1884-V1952 HydrophobicContact CE1-CG1 4Å; F1884-V1952 HydrophobicContact CE1-CG2 3.74Å; F1884-V1952 HydrophobicContact CE2-CG1 3.92Å; F1884-V1952 HydrophobicContact CZ-CB 4.23Å; F1884-V1952 HydrophobicContact CZ-CG1 3.65Å; F1884-V1952 HydrophobicContact CZ-CG2 4.25Å; F1884-K1955 HydrophobicContact CE1-CD 4.2Å; F1884-K1955 HydrophobicContact CZ-CB 4.45Å; F1884-K1955 HydrophobicContact CZ-CD 4.2Å |
| 1885 | N | 88.7 | Confident | 80.8 | Confident | 33.2 Ų | 33.2 | 31.2 Ų | 31.2 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | -176.1 | -73.7 | -38.4 | 0 | 0 | 0 | 111.6 | W1646 S1881 D1882 Y1889 | W1646-N1885 HydrophobicContact CZ2-CB 4.47Å; S1881-N1885 VanDerWaalsContact O-CB 3.29Å; S1881-N1885 WeakPolarHBondContact O-CB 3.4Å; S1881-N1885 VanDerWaalsContact O-CG 3.28Å; S1881-N1885 PolarHBondContact O-N 3.2Å; S1881-N1885 PolarHBondContact O-ND2 3.28Å; S1881-N1885 VanDerWaalsContact O-ND2 3.08Å; S1881-N1885 PolarHBondContact OG-ND2 3.18Å; S1881-N1885 VanDerWaalsContact OG-ND2 3.07Å; D1882-N1885 PolarHBondContact O-N 3.28Å; N1885-Y1889 PolarHBondContact O-N 3.07Å; N1885-Y1889 VanDerWaalsContact O-N 3.13Å |
| 1886 | F | 90.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75 | -37.2 | 178.7 | -170.5 | -102.9 | 0 | 0 | 0 | 112.6 | I1645 W1646 H1649 F1842 F1861 D1882 F1884 V1888 Y1889 L1890 | I1645-F1886 HydrophobicContact CB-CE2 4.35Å; I1645-F1886 HydrophobicContact CB-CZ 4.3Å; I1645-F1886 HydrophobicContact CD1-CD1 4.02Å; I1645-F1886 HydrophobicContact CD1-CE1 3.22Å; I1645-F1886 HydrophobicContact CD1-CE2 4.16Å; I1645-F1886 HydrophobicContact CD1-CZ 3.33Å; I1645-F1886 HydrophobicContact CG1-CE1 3.86Å; I1645-F1886 HydrophobicContact CG1-CE2 3.88Å; I1645-F1886 HydrophobicContact CG1-CZ 3.39Å; I1645-F1886 HydrophobicContact CG2-CD1 4.49Å; I1645-F1886 HydrophobicContact CG2-CD2 3.8Å; I1645-F1886 HydrophobicContact CG2-CE1 4.37Å; I1645-F1886 HydrophobicContact CG2-CE2 3.68Å; I1645-F1886 HydrophobicContact CG2-CG 4.23Å; I1645-F1886 HydrophobicContact CG2-CZ 4Å; W1646-F1886 AromaticContact CD2-CD2 3.91Å; W1646-F1886 HydrophobicContact CD2-CD2 3.91Å; W1646-F1886 HydrophobicContact CD2-CE2 4.34Å; W1646-F1886 AromaticContact CE2-CD2 3.72Å; W1646-F1886 AromaticContact CE3-CD2 3.98Å; W1646-F1886 HydrophobicContact CE3-CD2 3.99Å; W1646-F1886 HydrophobicContact CE3-CE2 4.23Å; W1646-F1886 HydrophobicContact CH2-CB 4.35Å; W1646-F1886 AromaticContact CH2-CD2 3.79Å; W1646-F1886 HydrophobicContact CH2-CD2 3.79Å; W1646-F1886 HydrophobicContact CH2-CG 4.5Å; W1646-F1886 HydrophobicContact CZ2-CB 3.91Å; W1646-F1886 AromaticContact CZ2-CD2 3.68Å; W1646-F1886 HydrophobicContact CZ2-CD2 3.68Å; W1646-F1886 HydrophobicContact CZ2-CG 4.3Å; W1646-F1886 AromaticContact CZ3-CD2 3.93Å; W1646-F1886 HydrophobicContact CZ3-CD2 3.93Å; W1646-F1886 HydrophobicContact CZ3-CE2 4.4Å; H1649-F1886 AromaticContact CD2-CE2 3.84Å; H1649-F1886 AromaticContact CD2-CZ 3.58Å; H1649-F1886 AromaticContact NE2-CZ 3.57Å; F1842-F1886 HydrophobicContact CD1-CD1 4.36Å; F1842-F1886 HydrophobicContact CE1-CB 4Å; F1842-F1886 HydrophobicContact CE1-CD1 4.31Å; F1842-F1886 HydrophobicContact CE1-CG 4.29Å; F1861-F1886 HydrophobicContact CD2-CD1 4.33Å; F1861-F1886 HydrophobicContact CE1-CD1 4.2Å; F1861-F1886 AromaticContact CE2-CD1 3.47Å; F1861-F1886 HydrophobicContact CE2-CD1 3.47Å; F1861-F1886 VanDerWaalsContact CE2-CD1 3.46Å; F1861-F1886 AromaticContact CE2-CE1 3.59Å; F1861-F1886 HydrophobicContact CE2-CE1 3.59Å; F1861-F1886 AromaticContact CZ-CD1 3.38Å; F1861-F1886 HydrophobicContact CZ-CD1 3.38Å; F1861-F1886 AromaticContact CZ-CE1 3.66Å; F1861-F1886 HydrophobicContact CZ-CE1 3.66Å; D1882-F1886 WeakPolarHBondContact O-CB 3.34Å; D1882-F1886 PolarHBondContact O-N 3.08Å; D1882-F1886 VanDerWaalsContact O-N 3.12Å; F1884-F1886 VanDerWaalsContact C-N 3.3Å; F1884-F1886 PolarHBondContact O-N 3.16Å; F1886-V1888 PolarHBondContact O-N 3.13Å; F1886-Y1889 HydrophobicContact CD2-CD1 4.34Å; F1886-Y1889 HydrophobicContact CE2-CD1 4.03Å; F1886-Y1889 HydrophobicContact CE2-CE1 4.47Å; F1886-Y1889 WeakPolarHBondContact O-CB 3.39Å; F1886-Y1889 PolarHBondContact O-N 3.08Å; F1886-L1890 HydrophobicContact CD1-CD1 4.01Å; F1886-L1890 HydrophobicContact CD1-CG 4.13Å; F1886-L1890 HydrophobicContact CE1-CD1 3.28Å; F1886-L1890 HydrophobicContact CE1-CD2 4.25Å; F1886-L1890 HydrophobicContact CE1-CG 3.52Å; F1886-L1890 VanDerWaalsContact CE1-CG 3.5Å; F1886-L1890 HydrophobicContact CE2-CG 4.46Å; F1886-L1890 HydrophobicContact CZ-CD1 3.85Å; F1886-L1890 HydrophobicContact CZ-CD2 3.97Å; F1886-L1890 HydrophobicContact CZ-CG 3.7Å; F1886-L1890 PolarHBondContact O-N 3.07Å |
| 1887 | Y | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.5 | -179.5 | -100.7 | 0 | 0 | 0 | 112 | A1858 F1861 L1862 V1883 F1884 Y1889 L1890 R1891 R1900 E1929 L1932 | A1858-Y1887 HydrophobicContact CB-CE2 4.48Å; A1858-Y1887 WeakPolarHBondContact O-CD2 3.37Å; A1858-Y1887 VanDerWaalsContact O-CE2 3.31Å; A1858-Y1887 WeakPolarHBondContact O-CE2 3.3Å; F1861-Y1887 HydrophobicContact CB-CD2 3.91Å; F1861-Y1887 HydrophobicContact CB-CG 4.42Å; F1861-Y1887 HydrophobicContact CD2-CD2 4.42Å; L1862-Y1887 HydrophobicContact CD1-CE2 4.07Å; L1862-Y1887 WeakPolarHBondContact CD1-OH 3.39Å; L1862-Y1887 HydrophobicContact CD2-CD1 4.35Å; L1862-Y1887 HydrophobicContact CD2-CD2 4.29Å; L1862-Y1887 HydrophobicContact CD2-CE1 4Å; L1862-Y1887 HydrophobicContact CD2-CE2 3.86Å; L1862-Y1887 HydrophobicContact CD2-CG 4.49Å; L1862-Y1887 HydrophobicContact CG-CD2 4.39Å; L1862-Y1887 HydrophobicContact CG-CE2 3.75Å; V1883-Y1887 VanDerWaalsContact O-CB 3.23Å; V1883-Y1887 WeakPolarHBondContact O-CB 3.22Å; V1883-Y1887 PolarHBondContact O-N 3Å; F1884-Y1887 PolarHBondContact O-N 3.4Å; Y1887-Y1889 VanDerWaalsContact C-N 3.26Å; Y1887-Y1889 PolarHBondContact O-N 3.1Å; Y1887-L1890 PolarHBondContact O-N 3.19Å; Y1887-L1890 VanDerWaalsContact O-N 3.16Å; Y1887-R1891 HydrophobicContact CE1-CB 4.29Å; Y1887-R1891 HydrophobicContact CE1-CG 4.45Å; Y1887-R1891 WeakPolarHBondContact O-CB 3.25Å; Y1887-R1891 WeakPolarHBondContact O-CG 3.3Å; Y1887-R1891 PolarHBondContact O-N 3.08Å; Y1887-R1900 PolarHBondContact OH-NH2 3.2Å; Y1887-E1929 HydrophobicContact CE1-CB 4.47Å; Y1887-E1929 HydrophobicContact CE1-CG 3.77Å; Y1887-E1929 WeakPolarHBondContact CE1-OE1 3.41Å; Y1887-E1929 VanDerWaalsContact CZ-OE1 3.31Å; Y1887-E1929 VanDerWaalsContact OH-CD 3.26Å; Y1887-E1929 WeakPolarHBondContact OH-CG 3.41Å; Y1887-E1929 PolarHBondContact OH-OE1 3.2Å; Y1887-L1932 HydrophobicContact CD1-CD2 3.72Å; Y1887-L1932 HydrophobicContact CE1-CD2 4.42Å; Y1887-L1932 HydrophobicContact CG-CD2 3.86Å |
| 1888 | V | 87.5 | Confident | 85 | Confident | 26.4 Ų | 26.4 | 26.1 Ų | 26.1 | 16% | 0.16 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | F1884 F1886 R1891 T1892 F1933 K1955 | F1884-V1888 HydrophobicContact CD1-CG2 4.38Å; F1884-V1888 HydrophobicContact CD2-CG2 4.07Å; F1884-V1888 HydrophobicContact CE1-CG2 3.96Å; F1884-V1888 HydrophobicContact CE2-CG2 3.61Å; F1884-V1888 HydrophobicContact CG-CG2 4.43Å; F1884-V1888 HydrophobicContact CZ-CG2 3.56Å; F1884-V1888 WeakPolarHBondContact O-CB 3.4Å; F1884-V1888 VanDerWaalsContact O-CG2 3.29Å; F1884-V1888 WeakPolarHBondContact O-CG2 3.42Å; F1884-V1888 PolarHBondContact O-N 3.16Å; F1886-V1888 PolarHBondContact O-N 3.13Å; V1888-R1891 VanDerWaalsContact O-CG 3.25Å; V1888-R1891 WeakPolarHBondContact O-CG 3.43Å; V1888-T1892 PolarHBondContact O-OG1 3.07Å; V1888-F1933 HydrophobicContact CG2-CE1 4.43Å; V1888-F1933 HydrophobicContact CG2-CE2 4.47Å; V1888-F1933 HydrophobicContact CG2-CZ 4.04Å; V1888-K1955 HydrophobicContact CG1-CD 4.46Å |
| 1889 | Y | 88.5 | Confident | 85.5 | Confident | 44 Ų | 44 | 27.3 Ų | 27.3 | 17% | 0.173 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.2 | -51.1 | 173.2 | 171.9 | -100.3 | 0 | 0 | 0 | 112.4 | C1608 W1646 H1649 N1885 F1886 Y1887 R1891 T1892 H1893 | C1608-Y1889 WeakPolarHBondContact SG-CE2 3.39Å; C1608-Y1889 PolarHBondContact SG-OH 3.03Å; C1608-Y1889 VanDerWaalsContact SG-OH 3.33Å; W1646-Y1889 HydrophobicContact CE3-CD1 4.48Å; W1646-Y1889 HydrophobicContact CH2-CD1 4.47Å; W1646-Y1889 HydrophobicContact CH2-CG 4.08Å; W1646-Y1889 AromaticContact CZ3-CD1 3.81Å; W1646-Y1889 HydrophobicContact CZ3-CD1 3.81Å; W1646-Y1889 AromaticContact CZ3-CD2 3.97Å; W1646-Y1889 HydrophobicContact CZ3-CD2 4.02Å; W1646-Y1889 HydrophobicContact CZ3-CE1 4.45Å; W1646-Y1889 AromaticContact CZ3-CG 3.58Å; W1646-Y1889 HydrophobicContact CZ3-CG 3.58Å; H1649-Y1889 HydrophobicContact CB-CE1 3.79Å; H1649-Y1889 AromaticContact CG-CE1 3.8Å; H1649-Y1889 AromaticContact ND1-CE1 3.92Å; N1885-Y1889 PolarHBondContact O-N 3.07Å; N1885-Y1889 VanDerWaalsContact O-N 3.13Å; F1886-Y1889 HydrophobicContact CD2-CD1 4.34Å; F1886-Y1889 HydrophobicContact CE2-CD1 4.03Å; F1886-Y1889 HydrophobicContact CE2-CE1 4.47Å; F1886-Y1889 WeakPolarHBondContact O-CB 3.39Å; F1886-Y1889 PolarHBondContact O-N 3.08Å; Y1887-Y1889 VanDerWaalsContact C-N 3.26Å; Y1887-Y1889 PolarHBondContact O-N 3.1Å; Y1889-R1891 VanDerWaalsContact C-N 3.33Å; Y1889-R1891 PolarHBondContact O-N 3.08Å; Y1889-T1892 PolarHBondContact O-N 3.19Å; Y1889-T1892 VanDerWaalsContact O-N 3.09Å; Y1889-T1892 PolarHBondContact O-OG1 3.1Å; Y1889-H1893 AromaticContact CZ-CD2 3.99Å; Y1889-H1893 PolarHBondContact O-N 3Å |
| 1890 | L | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -36.2 | -177.7 | -82 | -168.7 | 0 | 0 | 0 | 113.7 | H1649 W1849 A1858 F1861 F1886 Y1887 T1892 H1893 V1896 | H1649-L1890 VanDerWaalsContact CE1-CD2 3.44Å; H1649-L1890 WeakPolarHBondContact CE1-CD2 3.28Å; W1849-L1890 HydrophobicContact CE3-CD2 4.32Å; W1849-L1890 HydrophobicContact CH2-CD2 4.32Å; W1849-L1890 HydrophobicContact CZ3-CD2 3.89Å; A1858-L1890 HydrophobicContact CB-CB 4.23Å; A1858-L1890 HydrophobicContact CB-CD1 4.35Å; F1861-L1890 HydrophobicContact CD2-CD1 4.4Å; F1861-L1890 HydrophobicContact CE2-CD1 3.88Å; F1886-L1890 HydrophobicContact CD1-CD1 4.01Å; F1886-L1890 HydrophobicContact CD1-CG 4.13Å; F1886-L1890 HydrophobicContact CE1-CD1 3.28Å; F1886-L1890 HydrophobicContact CE1-CD2 4.25Å; F1886-L1890 HydrophobicContact CE1-CG 3.52Å; F1886-L1890 VanDerWaalsContact CE1-CG 3.5Å; F1886-L1890 HydrophobicContact CE2-CG 4.46Å; F1886-L1890 HydrophobicContact CZ-CD1 3.85Å; F1886-L1890 HydrophobicContact CZ-CD2 3.97Å; F1886-L1890 HydrophobicContact CZ-CG 3.7Å; F1886-L1890 PolarHBondContact O-N 3.07Å; Y1887-L1890 PolarHBondContact O-N 3.19Å; Y1887-L1890 VanDerWaalsContact O-N 3.16Å; L1890-T1892 PolarHBondContact O-N 3.19Å; L1890-H1893 VanDerWaalsContact O-CB 3.24Å; L1890-H1893 WeakPolarHBondContact O-CB 3.36Å; L1890-H1893 PolarHBondContact O-N 3.12Å; L1890-V1896 HydrophobicContact CD2-CG2 4.43Å; L1890-V1896 WeakPolarHBondContact O-CB 3.38Å; L1890-V1896 WeakPolarHBondContact O-CG2 3.41Å |
| 1891 | R | 83.8 | Confident | 85.6 | Confident | 13.2 Ų | 13.2 | 26.9 Ų | 26.9 | 5% | 0.05 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -27.3 | 178.9 | 82.2 | 171.6 | -70.4 | 103.2 | -4.9 | 112.6 | Y1887 V1888 Y1889 L1897 L1921 A1922 Q1924 E1929 | Y1887-R1891 HydrophobicContact CE1-CB 4.29Å; Y1887-R1891 HydrophobicContact CE1-CG 4.45Å; Y1887-R1891 WeakPolarHBondContact O-CB 3.25Å; Y1887-R1891 WeakPolarHBondContact O-CG 3.3Å; Y1887-R1891 PolarHBondContact O-N 3.08Å; V1888-R1891 VanDerWaalsContact O-CG 3.25Å; V1888-R1891 WeakPolarHBondContact O-CG 3.43Å; Y1889-R1891 VanDerWaalsContact C-N 3.33Å; Y1889-R1891 PolarHBondContact O-N 3.08Å; R1891-L1897 WeakPolarHBondContact O-CD2 3.35Å; R1891-L1921 PolarHBondContact NH2-O 2.87Å; R1891-A1922 VanDerWaalsContact CZ-O 3.31Å; R1891-A1922 PolarHBondContact NH1-O 3.33Å; R1891-A1922 VanDerWaalsContact NH2-C 3.28Å; R1891-A1922 PolarHBondContact NH2-O 3.24Å; R1891-Q1924 PolarHBondContact NH1-O 3.24Å; R1891-Q1924 PolarHBondContact NH2-O 3.07Å; R1891-E1929 IonicContact CZ-OE1 3.65Å; R1891-E1929 IonicContact CZ-OE2 3.31Å; R1891-E1929 VanDerWaalsContact NH1-CD 3.27Å; R1891-E1929 IonicContact NH1-OE1 3.14Å; R1891-E1929 PolarHBondContact NH1-OE1 3.21Å; R1891-E1929 IonicContact NH1-OE2 3.31Å; R1891-E1929 PolarHBondContact NH1-OE2 3.11Å; R1891-E1929 IonicContact NH2-OE2 2.75Å |
| 1892 | T | 81.5 | Confident | 85.3 | Confident | 37.4 Ų | 37.4 | 31.9 Ų | 31.9 | 23% | 0.229 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.6 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | V1888 Y1889 L1890 | V1888-T1892 PolarHBondContact O-OG1 3.07Å; Y1889-T1892 PolarHBondContact O-N 3.19Å; Y1889-T1892 VanDerWaalsContact O-N 3.09Å; Y1889-T1892 PolarHBondContact O-OG1 3.1Å; L1890-T1892 PolarHBondContact O-N 3.19Å |
| 1893 | H | 85.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 13% | 0.13 | 17% | 0.167 | C | C | . | . | trans | -72 | 132.1 | -176.6 | -166.9 | -75.1 | 0 | 0 | 0 | 111.7 | W1849 Y1889 L1890 L1895 V1896 L1897 | W1849-H1893 AromaticContact CH2-CE1 3.55Å; W1849-H1893 AromaticContact CH2-CG 3.88Å; W1849-H1893 AromaticContact CH2-ND1 3.58Å; W1849-H1893 AromaticContact CH2-NE2 3.91Å; W1849-H1893 AromaticContact CZ2-CE1 3.77Å; W1849-H1893 AromaticContact CZ2-NE2 3.94Å; Y1889-H1893 AromaticContact CZ-CD2 3.99Å; Y1889-H1893 PolarHBondContact O-N 3Å; L1890-H1893 VanDerWaalsContact O-CB 3.24Å; L1890-H1893 WeakPolarHBondContact O-CB 3.36Å; L1890-H1893 PolarHBondContact O-N 3.12Å; H1893-L1895 VanDerWaalsContact C-N 3.33Å; H1893-L1895 PolarHBondContact ND1-N 2.99Å; H1893-L1895 PolarHBondContact O-N 3.17Å; H1893-V1896 HydrophobicContact CB-CB 4.47Å; H1893-V1896 HydrophobicContact CB-CG2 4.1Å; H1893-V1896 PolarHBondContact O-N 3.25Å; H1893-V1896 VanDerWaalsContact O-N 3.12Å; H1893-L1897 PolarHBondContact O-N 3.19Å; H1893-L1897 VanDerWaalsContact O-N 3.12Å | ||
| 1894 | P | 83.7 | Confident | 84 | Confident | 48.4 Ų | 48.4 | 38.9 Ų | 38.9 | 31% | 0.314 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -37.2 | -172.3 | 22 | -34.2 | 0 | 0 | 0 | 113.9 | V1896 L1897 R1898 F1914 | P1894-V1896 VanDerWaalsContact C-N 3.34Å; P1894-V1896 PolarHBondContact O-N 3.17Å; P1894-L1897 PolarHBondContact O-N 3.16Å; P1894-R1898 WeakPolarHBondContact O-CB 3.35Å; P1894-R1898 VanDerWaalsContact O-CG 3.31Å; P1894-R1898 WeakPolarHBondContact O-CG 3.4Å; P1894-R1898 PolarHBondContact O-N 3.25Å; P1894-F1914 HydrophobicContact CB-CE1 4.18Å; P1894-F1914 HydrophobicContact CB-CZ 4.2Å |
| 1895 | L | 85.6 | Confident | 83.2 | Confident | 55.6 Ų | 55.6 | 41.6 Ų | 41.6 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 177.4 | -62.7 | -180 | 0 | 0 | 0 | 113.1 | W1849 Y1854 H1893 R1898 K1899 | W1849-L1895 HydrophobicContact CH2-CB 4.26Å; W1849-L1895 HydrophobicContact CH2-CD1 4.22Å; W1849-L1895 HydrophobicContact CZ2-CD1 3.85Å; Y1854-L1895 HydrophobicContact CD1-CB 4.44Å; Y1854-L1895 HydrophobicContact CD1-CD1 4.5Å; Y1854-L1895 HydrophobicContact CD2-CB 3.98Å; Y1854-L1895 HydrophobicContact CE1-CD1 4.15Å; Y1854-L1895 HydrophobicContact CE2-CB 4.27Å; Y1854-L1895 HydrophobicContact CE2-CD1 4.32Å; Y1854-L1895 HydrophobicContact CG-CB 4.08Å; H1893-L1895 VanDerWaalsContact C-N 3.33Å; H1893-L1895 PolarHBondContact ND1-N 2.99Å; H1893-L1895 PolarHBondContact O-N 3.17Å; L1895-R1898 PolarHBondContact O-N 3.21Å; L1895-K1899 WeakPolarHBondContact O-CB 3.41Å; L1895-K1899 PolarHBondContact O-N 3.29Å |
| 1896 | V | 84.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | W1849 A1858 L1890 H1893 P1894 R1898 K1899 R1900 | W1849-V1896 HydrophobicContact CH2-CG2 4.36Å; W1849-V1896 HydrophobicContact CZ3-CG2 3.87Å; A1858-V1896 HydrophobicContact CB-CG1 3.77Å; A1858-V1896 HydrophobicContact CB-CG2 4.46Å; L1890-V1896 HydrophobicContact CD2-CG2 4.43Å; L1890-V1896 WeakPolarHBondContact O-CB 3.38Å; L1890-V1896 WeakPolarHBondContact O-CG2 3.41Å; H1893-V1896 HydrophobicContact CB-CB 4.47Å; H1893-V1896 HydrophobicContact CB-CG2 4.1Å; H1893-V1896 PolarHBondContact O-N 3.25Å; H1893-V1896 VanDerWaalsContact O-N 3.12Å; P1894-V1896 VanDerWaalsContact C-N 3.34Å; P1894-V1896 PolarHBondContact O-N 3.17Å; V1896-R1898 PolarHBondContact O-N 3.25Å; V1896-K1899 PolarHBondContact O-N 3.02Å; V1896-R1900 WeakPolarHBondContact O-CB 3.38Å; V1896-R1900 WeakPolarHBondContact O-CG 3.29Å; V1896-R1900 PolarHBondContact O-N 2.88Å |
| 1897 | L | 83 | Confident | 81.7 | Confident | 8.4 Ų | 8.4 | 50.4 Ų | 50.4 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.6 | -67.6 | 173.1 | 0 | 0 | 0 | 112.1 | R1891 H1893 P1894 R1900 L1901 F1914 A1918 L1921 | R1891-L1897 WeakPolarHBondContact O-CD2 3.35Å; H1893-L1897 PolarHBondContact O-N 3.19Å; H1893-L1897 VanDerWaalsContact O-N 3.12Å; P1894-L1897 PolarHBondContact O-N 3.16Å; L1897-R1900 PolarHBondContact O-N 2.99Å; L1897-L1901 WeakPolarHBondContact O-CB 3.42Å; L1897-L1901 VanDerWaalsContact O-CD1 3.29Å; L1897-L1901 WeakPolarHBondContact O-CD1 3.32Å; L1897-L1901 VanDerWaalsContact O-CG 3.23Å; L1897-L1901 WeakPolarHBondContact O-CG 3.37Å; L1897-L1901 PolarHBondContact O-N 3.16Å; L1897-F1914 HydrophobicContact CB-CE2 4.22Å; L1897-F1914 HydrophobicContact CB-CZ 4.04Å; L1897-A1918 HydrophobicContact CD1-CB 3.84Å; L1897-L1921 HydrophobicContact CD2-CB 4.27Å; L1897-L1921 HydrophobicContact CD2-CD1 4.44Å |
| 1898 | R | 82.2 | Confident | 80.7 | Confident | 117.8 Ų | 117.8 | 52.9 Ų | 52.9 | 45% | 0.445 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 175.2 | -89.3 | 180 | -154.6 | 160.1 | 2.5 | 111.9 | P1894 L1895 V1896 R1900 L1901 E1902 F1914 | P1894-R1898 WeakPolarHBondContact O-CB 3.35Å; P1894-R1898 VanDerWaalsContact O-CG 3.31Å; P1894-R1898 WeakPolarHBondContact O-CG 3.4Å; P1894-R1898 PolarHBondContact O-N 3.25Å; L1895-R1898 PolarHBondContact O-N 3.21Å; V1896-R1898 PolarHBondContact O-N 3.25Å; R1898-R1900 VanDerWaalsContact C-N 3.35Å; R1898-R1900 PolarHBondContact O-N 3.13Å; R1898-L1901 WeakPolarHBondContact O-CB 3.4Å; R1898-L1901 PolarHBondContact O-N 2.96Å; R1898-L1901 VanDerWaalsContact O-N 3.11Å; R1898-E1902 WeakPolarHBondContact CG-OE1 3.46Å; R1898-E1902 WeakPolarHBondContact O-CG 3.36Å; R1898-E1902 PolarHBondContact O-N 3Å; R1898-F1914 HydrophobicContact CB-CE2 4.27Å; R1898-F1914 HydrophobicContact CG-CD2 3.97Å; R1898-F1914 HydrophobicContact CG-CE2 3.31Å; R1898-F1914 HydrophobicContact CG-CZ 3.71Å |
| 1899 | K | 83.2 | Confident | 79.8 | Confident | 45.2 Ų | 45.2 | 56.7 Ų | 56.7 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 179.5 | -176 | 57.7 | 174.9 | 159.8 | 0 | 111.6 | E1853 Y1854 A1855 L1895 V1896 L1901 E1902 D1903 | E1853-K1899 WeakPolarHBondContact OE2-CE 3.44Å; E1853-K1899 IonicContact OE2-NZ 2.66Å; E1853-K1899 PolarHBondContact OE2-NZ 2.91Å; Y1854-K1899 HydrophobicContact CD2-CB 4.48Å; A1855-K1899 HydrophobicContact CB-CB 4.41Å; A1855-K1899 HydrophobicContact CB-CG 3.9Å; L1895-K1899 WeakPolarHBondContact O-CB 3.41Å; L1895-K1899 PolarHBondContact O-N 3.29Å; V1896-K1899 PolarHBondContact O-N 3.02Å; K1899-L1901 VanDerWaalsContact C-N 3.27Å; K1899-L1901 PolarHBondContact O-N 3.1Å; K1899-E1902 WeakPolarHBondContact O-CB 3.22Å; K1899-E1902 PolarHBondContact O-N 3.15Å; K1899-E1902 VanDerWaalsContact O-N 3.14Å; K1899-D1903 WeakPolarHBondContact CE-OD1 3.34Å; K1899-D1903 IonicContact NZ-OD1 3.28Å; K1899-D1903 PolarHBondContact NZ-OD1 3Å; K1899-D1903 WeakPolarHBondContact O-CB 3.32Å; K1899-D1903 PolarHBondContact O-N 3.26Å |
| 1900 | R | 80.9 | Confident | 79.1 | Confident | 56.6 Ų | 56.6 | 56.8 Ų | 56.8 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.6 | -35.1 | 173.5 | -73.5 | 179.5 | 179.9 | -179.3 | -1.9 | 112.9 | A1855 Y1887 V1896 L1897 R1898 N1904 | A1855-R1900 HydrophobicContact CB-CG 4.16Å; Y1887-R1900 PolarHBondContact OH-NH2 3.2Å; V1896-R1900 WeakPolarHBondContact O-CB 3.38Å; V1896-R1900 WeakPolarHBondContact O-CG 3.29Å; V1896-R1900 PolarHBondContact O-N 2.88Å; L1897-R1900 PolarHBondContact O-N 2.99Å; R1898-R1900 VanDerWaalsContact C-N 3.35Å; R1898-R1900 PolarHBondContact O-N 3.13Å; R1900-N1904 WeakPolarHBondContact O-CB 3.36Å; R1900-N1904 VanDerWaalsContact O-CG 3.28Å; R1900-N1904 PolarHBondContact O-N 3.16Å; R1900-N1904 VanDerWaalsContact O-N 3.14Å; R1900-N1904 PolarHBondContact O-ND2 3.04Å |
| 1901 | L | 79.4 | Confident | 78.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.4 | -41 | 176.1 | -71.7 | 161.8 | 0 | 0 | 0 | 111.7 | L1897 R1898 K1899 N1904 G1905 I1906 I1908 F1914 I1917 L1921 | L1897-L1901 WeakPolarHBondContact O-CB 3.42Å; L1897-L1901 VanDerWaalsContact O-CD1 3.29Å; L1897-L1901 WeakPolarHBondContact O-CD1 3.32Å; L1897-L1901 VanDerWaalsContact O-CG 3.23Å; L1897-L1901 WeakPolarHBondContact O-CG 3.37Å; L1897-L1901 PolarHBondContact O-N 3.16Å; R1898-L1901 WeakPolarHBondContact O-CB 3.4Å; R1898-L1901 PolarHBondContact O-N 2.96Å; R1898-L1901 VanDerWaalsContact O-N 3.11Å; K1899-L1901 VanDerWaalsContact C-N 3.27Å; K1899-L1901 PolarHBondContact O-N 3.1Å; L1901-N1904 CarbonylContact O-C 3.48Å; L1901-N1904 PolarHBondContact O-N 3.28Å; L1901-G1905 PolarHBondContact O-N 3.16Å; L1901-G1905 VanDerWaalsContact O-N 3.15Å; L1901-I1906 CarbonylContact C-O 3.58Å; L1901-I1906 HydrophobicContact CB-CB 4.45Å; L1901-I1906 HydrophobicContact CD2-CB 4.39Å; L1901-I1906 HydrophobicContact CD2-CD1 3.88Å; L1901-I1906 HydrophobicContact CD2-CG2 4.47Å; L1901-I1906 WeakPolarHBondContact O-CB 3.36Å; L1901-I1906 PolarHBondContact O-N 3.12Å; L1901-I1908 HydrophobicContact CB-CD1 4.32Å; L1901-I1908 HydrophobicContact CD1-CD1 3.53Å; L1901-I1908 VanDerWaalsContact CD1-CD1 3.42Å; L1901-I1908 HydrophobicContact CD2-CD1 4.46Å; L1901-I1908 HydrophobicContact CG-CD1 4.35Å; L1901-F1914 HydrophobicContact CD1-CD2 4Å; L1901-F1914 HydrophobicContact CD1-CE2 3.9Å; L1901-I1917 HydrophobicContact CD1-CG2 4.26Å; L1901-I1917 HydrophobicContact CD2-CG2 3.66Å; L1901-L1921 HydrophobicContact CD1-CD1 4.25Å; L1901-L1921 HydrophobicContact CD2-CD1 3.67Å; L1901-L1921 HydrophobicContact CG-CD1 3.88Å |
| 1902 | E | 79.4 | Confident | 78 | Confident | 117.4 Ų | 117.4 | 68.3 Ų | 68.3 | 55% | 0.549 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.6 | -71.8 | 171.2 | -173.8 | 0 | 0 | 112.1 | R1898 K1899 N1904 G1905 | R1898-E1902 WeakPolarHBondContact CG-OE1 3.46Å; R1898-E1902 WeakPolarHBondContact O-CG 3.36Å; R1898-E1902 PolarHBondContact O-N 3Å; K1899-E1902 WeakPolarHBondContact O-CB 3.22Å; K1899-E1902 PolarHBondContact O-N 3.15Å; K1899-E1902 VanDerWaalsContact O-N 3.14Å; E1902-N1904 PolarHBondContact O-N 3.1Å; E1902-G1905 WeakPolarHBondContact O-CA 3.28Å; E1902-G1905 PolarHBondContact O-N 3.1Å |
| 1903 | D | 74.1 | Confident | 77.6 | Confident | 85.2 Ų | 85.2 | 71.4 Ų | 71.4 | 46% | 0.456 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 176.8 | -62.9 | -22.2 | 0 | 0 | 0 | 111.2 | K1899 G1905 K1981 | K1899-D1903 WeakPolarHBondContact CE-OD1 3.34Å; K1899-D1903 IonicContact NZ-OD1 3.28Å; K1899-D1903 PolarHBondContact NZ-OD1 3Å; K1899-D1903 WeakPolarHBondContact O-CB 3.32Å; K1899-D1903 PolarHBondContact O-N 3.26Å; D1903-G1905 VanDerWaalsContact C-N 3.3Å; D1903-G1905 PolarHBondContact O-N 3.3Å; D1903-K1981 PolarHBondContact O-NZ 2.89Å |
| 1904 | N | 73 | Confident | 77.2 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 4 | 170.9 | -71.6 | -40.6 | 0 | 0 | 0 | 113.8 | R1900 L1901 E1902 I1906 | R1900-N1904 WeakPolarHBondContact O-CB 3.36Å; R1900-N1904 VanDerWaalsContact O-CG 3.28Å; R1900-N1904 PolarHBondContact O-N 3.16Å; R1900-N1904 VanDerWaalsContact O-N 3.14Å; R1900-N1904 PolarHBondContact O-ND2 3.04Å; L1901-N1904 CarbonylContact O-C 3.48Å; L1901-N1904 PolarHBondContact O-N 3.28Å; E1902-N1904 PolarHBondContact O-N 3.1Å; N1904-I1906 VanDerWaalsContact C-N 3.35Å; N1904-I1906 HydrophobicContact CB-CD1 4.24Å; N1904-I1906 HydrophobicContact CB-CG1 4.39Å; N1904-I1906 PolarHBondContact O-N 3.05Å |
| 1905 | G | 74.2 | Confident | 76.7 | Confident | 55.2 Ų | 55.2 | 71.8 Ų | 71.8 | 57% | 0.569 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 10 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1901 E1902 D1903 K1907 | L1901-G1905 PolarHBondContact O-N 3.16Å; L1901-G1905 VanDerWaalsContact O-N 3.15Å; E1902-G1905 WeakPolarHBondContact O-CA 3.28Å; E1902-G1905 PolarHBondContact O-N 3.1Å; D1903-G1905 VanDerWaalsContact C-N 3.3Å; D1903-G1905 PolarHBondContact O-N 3.3Å; G1905-K1907 PolarHBondContact O-N 2.96Å |
| 1906 | I | 75.1 | Confident | 76.2 | Confident | 23.6 Ų | 23.6 | 76.2 Ų | 76.2 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | trans | -92.6 | 108.7 | -175.7 | -56.5 | 165.5 | 0 | 0 | 0 | 109.7 | L1901 N1904 I1908 F1970 L1971 L1974 | L1901-I1906 CarbonylContact C-O 3.58Å; L1901-I1906 HydrophobicContact CB-CB 4.45Å; L1901-I1906 HydrophobicContact CD2-CB 4.39Å; L1901-I1906 HydrophobicContact CD2-CD1 3.88Å; L1901-I1906 HydrophobicContact CD2-CG2 4.47Å; L1901-I1906 WeakPolarHBondContact O-CB 3.36Å; L1901-I1906 PolarHBondContact O-N 3.12Å; N1904-I1906 VanDerWaalsContact C-N 3.35Å; N1904-I1906 HydrophobicContact CB-CD1 4.24Å; N1904-I1906 HydrophobicContact CB-CG1 4.39Å; N1904-I1906 PolarHBondContact O-N 3.05Å; I1906-I1908 HydrophobicContact CG2-CD1 4.42Å; I1906-I1908 HydrophobicContact CG2-CG1 4.02Å; I1906-F1970 HydrophobicContact CG2-CZ 3.79Å; I1906-L1971 HydrophobicContact CD1-CD2 3.39Å; I1906-L1971 VanDerWaalsContact CD1-CD2 3.46Å; I1906-L1974 HydrophobicContact CD1-CD1 4.09Å; I1906-L1974 HydrophobicContact CD1-CD2 3.48Å; I1906-L1974 HydrophobicContact CD1-CG 3.68Å; I1906-L1974 HydrophobicContact CG1-CD2 3.83Å; I1906-L1974 HydrophobicContact CG2-CD2 4.5Å | ||
| 1907 | K | 72.8 | Confident | 75.7 | Confident | 196 Ų | 196 | 77.2 Ų | 77.2 | 85% | 0.852 | 41% | 0.405 | S | S | * | . | trans | -91.2 | 122.4 | 172.4 | -67.8 | -175.5 | 178.9 | -178.5 | 0 | 110.2 | G1905 | G1905-K1907 PolarHBondContact O-N 2.96Š| ||
| 1908 | I | 68.8 | Low | 75.1 | Confident | 52.2 Ų | 52.2 | 77.3 Ų | 77.3 | 27% | 0.268 | 41% | 0.407 | S | S | . | . | trans | -108.2 | 125.9 | -178.1 | -57.1 | 169.2 | 0 | 0 | 0 | 109.4 | L1901 I1906 S1910 Q1913 F1914 I1917 | L1901-I1908 HydrophobicContact CB-CD1 4.32Å; L1901-I1908 HydrophobicContact CD1-CD1 3.53Å; L1901-I1908 VanDerWaalsContact CD1-CD1 3.42Å; L1901-I1908 HydrophobicContact CD2-CD1 4.46Å; L1901-I1908 HydrophobicContact CG-CD1 4.35Å; I1906-I1908 HydrophobicContact CG2-CD1 4.42Å; I1906-I1908 HydrophobicContact CG2-CG1 4.02Å; I1908-S1910 VanDerWaalsContact CG2-O 3.25Å; I1908-S1910 WeakPolarHBondContact CG2-O 3.34Å; I1908-Q1913 HydrophobicContact CG2-CB 3.97Å; I1908-F1914 HydrophobicContact CD1-CB 4.41Å; I1908-F1914 HydrophobicContact CD1-CD2 3.96Å; I1908-F1914 HydrophobicContact CG2-CB 4Å; I1908-I1917 HydrophobicContact CD1-CD1 3.85Å; I1908-I1917 HydrophobicContact CG1-CD1 4.28Å | ||
| 1909 | A | 67.1 | Low | 74.6 | Confident | 106 Ų | 106 | 75.5 Ų | 75.5 | 88% | 0.876 | 40% | 0.403 | S | S | * | . | trans | -93 | -27.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1910 | S | 75.4 | Confident | 74 | Confident | 46.2 Ų | 46.2 | 76.7 Ų | 76.7 | 32% | 0.323 | 41% | 0.41 | S | S | . | . | trans | -119.6 | 144.5 | -175.6 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | I1908 E1912 Q1913 F1914 | I1908-S1910 VanDerWaalsContact CG2-O 3.25Å; I1908-S1910 WeakPolarHBondContact CG2-O 3.34Å; S1910-E1912 VanDerWaalsContact C-N 3.32Å; S1910-E1912 PolarHBondContact O-N 3.17Å; S1910-Q1913 PolarHBondContact O-N 3Å; S1910-Q1913 VanDerWaalsContact OG-CB 3.28Å; S1910-Q1913 WeakPolarHBondContact OG-CB 3.4Å; S1910-Q1913 VanDerWaalsContact OG-CG 3.23Å; S1910-Q1913 WeakPolarHBondContact OG-CG 3.31Å; S1910-Q1913 PolarHBondContact OG-N 3.32Å; S1910-Q1913 PolarHBondContact OG-OE1 2.95Å; S1910-F1914 PolarHBondContact O-N 3.12Å; S1910-F1914 VanDerWaalsContact O-N 3.15Å | ||
| 1911 | T | 73.3 | Confident | 73.5 | Confident | 109.2 Ų | 109.2 | 75.8 Ų | 75.8 | 67% | 0.67 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.2 | -36.4 | 178.8 | 10.6 | 0 | 0 | 0 | 0 | 112.3 | F1914 V1915 | T1911-F1914 WeakPolarHBondContact O-CB 3.34Å; T1911-F1914 PolarHBondContact O-N 3.05Å; T1911-V1915 WeakPolarHBondContact O-CG2 3.44Å; T1911-V1915 PolarHBondContact O-N 3.07Å |
| 1912 | E | 74.8 | Confident | 73.1 | Confident | 145.4 Ų | 145.4 | 76.3 Ų | 76.3 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 178.8 | -64.5 | -177.4 | -176.4 | 0 | 0 | 112.7 | S1910 F1914 V1915 K1916 | S1910-E1912 VanDerWaalsContact C-N 3.32Å; S1910-E1912 PolarHBondContact O-N 3.17Å; E1912-F1914 VanDerWaalsContact C-N 3.32Å; E1912-V1915 PolarHBondContact O-N 3.05Å; E1912-K1916 WeakPolarHBondContact O-CG 3.43Å; E1912-K1916 PolarHBondContact O-N 2.91Å; E1912-K1916 VanDerWaalsContact O-N 3.1Å |
| 1913 | Q | 73.4 | Confident | 72.7 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 174.1 | -74.4 | 171.8 | -11.4 | 0 | 0 | 110.7 | I1908 S1910 V1915 K1916 I1917 | I1908-Q1913 HydrophobicContact CG2-CB 3.97Å; S1910-Q1913 PolarHBondContact O-N 3Å; S1910-Q1913 VanDerWaalsContact OG-CB 3.28Å; S1910-Q1913 WeakPolarHBondContact OG-CB 3.4Å; S1910-Q1913 VanDerWaalsContact OG-CG 3.23Å; S1910-Q1913 WeakPolarHBondContact OG-CG 3.31Å; S1910-Q1913 PolarHBondContact OG-N 3.32Å; S1910-Q1913 PolarHBondContact OG-OE1 2.95Å; Q1913-V1915 VanDerWaalsContact C-N 3.35Å; Q1913-V1915 PolarHBondContact O-N 3.07Å; Q1913-K1916 PolarHBondContact O-N 3.24Å; Q1913-I1917 WeakPolarHBondContact O-CD1 3.46Å; Q1913-I1917 VanDerWaalsContact O-CG1 3.28Å; Q1913-I1917 WeakPolarHBondContact O-CG1 3.37Å; Q1913-I1917 PolarHBondContact O-N 3.26Å |
| 1914 | F | 76 | Confident | 72.7 | Confident | 22.4 Ų | 22.4 | 77.1 Ų | 77.1 | 10% | 0.098 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 175.2 | 175.6 | -101.2 | 0 | 0 | 0 | 111.5 | F1577 P1894 L1897 R1898 L1901 I1908 S1910 T1911 E1912 K1916 I1917 A1918 | F1577-F1914 HydrophobicContact CE1-CE1 4.04Å; P1894-F1914 HydrophobicContact CB-CE1 4.18Å; P1894-F1914 HydrophobicContact CB-CZ 4.2Å; L1897-F1914 HydrophobicContact CB-CE2 4.22Å; L1897-F1914 HydrophobicContact CB-CZ 4.04Å; R1898-F1914 HydrophobicContact CB-CE2 4.27Å; R1898-F1914 HydrophobicContact CG-CD2 3.97Å; R1898-F1914 HydrophobicContact CG-CE2 3.31Å; R1898-F1914 HydrophobicContact CG-CZ 3.71Å; L1901-F1914 HydrophobicContact CD1-CD2 4Å; L1901-F1914 HydrophobicContact CD1-CE2 3.9Å; I1908-F1914 HydrophobicContact CD1-CB 4.41Å; I1908-F1914 HydrophobicContact CD1-CD2 3.96Å; I1908-F1914 HydrophobicContact CG2-CB 4Å; S1910-F1914 PolarHBondContact O-N 3.12Å; S1910-F1914 VanDerWaalsContact O-N 3.15Å; T1911-F1914 WeakPolarHBondContact O-CB 3.34Å; T1911-F1914 PolarHBondContact O-N 3.05Å; E1912-F1914 VanDerWaalsContact C-N 3.32Å; F1914-K1916 PolarHBondContact O-N 3.12Å; F1914-I1917 PolarHBondContact O-N 3.28Å; F1914-A1918 HydrophobicContact CE1-CB 4.35Å; F1914-A1918 HydrophobicContact CZ-CB 4.36Å; F1914-A1918 WeakPolarHBondContact O-CA 3.45Å; F1914-A1918 WeakPolarHBondContact O-CB 3.37Å; F1914-A1918 PolarHBondContact O-N 3.07Å |
| 1915 | V | 74.6 | Confident | 73 | Confident | 62.2 Ų | 62.2 | 74.4 Ų | 74.4 | 38% | 0.377 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 179.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | F1577 T1911 E1912 Q1913 A1918 Q1919 | F1577-V1915 HydrophobicContact CE1-CG2 4.02Å; T1911-V1915 WeakPolarHBondContact O-CG2 3.44Å; T1911-V1915 PolarHBondContact O-N 3.07Å; E1912-V1915 PolarHBondContact O-N 3.05Å; Q1913-V1915 VanDerWaalsContact C-N 3.35Å; Q1913-V1915 PolarHBondContact O-N 3.07Å; V1915-A1918 PolarHBondContact O-N 3.21Å; V1915-Q1919 HydrophobicContact CG1-CG 4.46Å; V1915-Q1919 WeakPolarHBondContact O-CB 3.34Å; V1915-Q1919 VanDerWaalsContact O-CG 3.26Å; V1915-Q1919 WeakPolarHBondContact O-CG 3.37Å; V1915-Q1919 PolarHBondContact O-N 3.21Å |
| 1916 | K | 75.3 | Confident | 73.4 | Confident | 146.4 Ų | 146.4 | 74.2 Ų | 74.2 | 64% | 0.637 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 178.4 | -71.9 | 178.7 | -179.9 | 176.9 | 0 | 112.4 | E1912 Q1913 F1914 Q1919 H1920 | E1912-K1916 WeakPolarHBondContact O-CG 3.43Å; E1912-K1916 PolarHBondContact O-N 2.91Å; E1912-K1916 VanDerWaalsContact O-N 3.1Å; Q1913-K1916 PolarHBondContact O-N 3.24Å; F1914-K1916 PolarHBondContact O-N 3.12Å; K1916-Q1919 PolarHBondContact O-N 3.35Å; K1916-H1920 PolarHBondContact O-N 2.92Å; K1916-H1920 VanDerWaalsContact O-N 3.15Å |
| 1917 | I | 73 | Confident | 73.6 | Confident | 22.4 Ų | 22.4 | 75.9 Ų | 75.9 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 178.4 | -62.3 | 167.1 | 0 | 0 | 0 | 110.6 | L1901 I1908 Q1913 F1914 Q1919 H1920 L1921 F1970 L1974 | L1901-I1917 HydrophobicContact CD1-CG2 4.26Å; L1901-I1917 HydrophobicContact CD2-CG2 3.66Å; I1908-I1917 HydrophobicContact CD1-CD1 3.85Å; I1908-I1917 HydrophobicContact CG1-CD1 4.28Å; Q1913-I1917 WeakPolarHBondContact O-CD1 3.46Å; Q1913-I1917 VanDerWaalsContact O-CG1 3.28Å; Q1913-I1917 WeakPolarHBondContact O-CG1 3.37Å; Q1913-I1917 PolarHBondContact O-N 3.26Å; F1914-I1917 PolarHBondContact O-N 3.28Å; I1917-Q1919 VanDerWaalsContact C-N 3.35Å; I1917-Q1919 PolarHBondContact O-N 3.01Å; I1917-H1920 CarbonylContact O-C 3.53Å; I1917-H1920 WeakPolarHBondContact O-CA 3.46Å; I1917-H1920 WeakPolarHBondContact O-CB 3.35Å; I1917-H1920 PolarHBondContact O-N 3Å; I1917-H1920 VanDerWaalsContact O-N 3.1Å; I1917-L1921 HydrophobicContact CG2-CD1 4.33Å; I1917-L1921 HydrophobicContact CG2-CG 4.38Å; I1917-L1921 WeakPolarHBondContact O-CG 3.18Å; I1917-L1921 PolarHBondContact O-N 3.08Å; I1917-F1970 HydrophobicContact CD1-CE1 3.71Å; I1917-F1970 VanDerWaalsContact CD1-CE1 3.44Å; I1917-F1970 HydrophobicContact CD1-CZ 3.91Å; I1917-F1970 HydrophobicContact CG1-CD1 4.42Å; I1917-F1970 HydrophobicContact CG1-CE1 3.94Å; I1917-F1970 HydrophobicContact CG1-CZ 4Å; I1917-L1974 HydrophobicContact CD1-CD1 4.03Å; I1917-L1974 HydrophobicContact CG1-CD1 4Å |
| 1918 | A | 71.7 | Confident | 74.1 | Confident | 9.4 Ų | 9.4 | 70.8 Ų | 70.8 | 8% | 0.078 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1577 L1897 F1914 V1915 H1920 L1921 A1922 | F1577-A1918 HydrophobicContact CD1-CB 4.43Å; L1897-A1918 HydrophobicContact CD1-CB 3.84Å; F1914-A1918 HydrophobicContact CE1-CB 4.35Å; F1914-A1918 HydrophobicContact CZ-CB 4.36Å; F1914-A1918 WeakPolarHBondContact O-CA 3.45Å; F1914-A1918 WeakPolarHBondContact O-CB 3.37Å; F1914-A1918 PolarHBondContact O-N 3.07Å; V1915-A1918 PolarHBondContact O-N 3.21Å; A1918-H1920 VanDerWaalsContact C-N 3.28Å; A1918-H1920 PolarHBondContact O-N 2.98Å; A1918-L1921 PolarHBondContact O-N 3.12Å; A1918-A1922 VanDerWaalsContact O-CB 3.26Å; A1918-A1922 WeakPolarHBondContact O-CB 3.27Å; A1918-A1922 PolarHBondContact O-N 3.04Å |
| 1919 | Q | 71.4 | Confident | 74.9 | Confident | 80.2 Ų | 80.2 | 68.8 Ų | 68.8 | 38% | 0.375 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 173.9 | -74.7 | 173.5 | -2.5 | 0 | 0 | 111.9 | Y1576 V1915 K1916 I1917 R1923 | Y1576-Q1919 PolarHBondContact O-NE2 2.82Å; V1915-Q1919 HydrophobicContact CG1-CG 4.46Å; V1915-Q1919 WeakPolarHBondContact O-CB 3.34Å; V1915-Q1919 VanDerWaalsContact O-CG 3.26Å; V1915-Q1919 WeakPolarHBondContact O-CG 3.37Å; V1915-Q1919 PolarHBondContact O-N 3.21Å; K1916-Q1919 PolarHBondContact O-N 3.35Å; I1917-Q1919 VanDerWaalsContact C-N 3.35Å; I1917-Q1919 PolarHBondContact O-N 3.01Å; Q1919-R1923 VanDerWaalsContact O-CG 3.32Å; Q1919-R1923 WeakPolarHBondContact O-CG 3.31Å; Q1919-R1923 PolarHBondContact O-N 2.97Å |
| 1920 | H | 71.1 | Confident | 75.8 | Confident | 71.6 Ų | 71.6 | 66.9 Ų | 66.9 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.7 | -46.1 | 176.3 | -165.7 | 70 | 0 | 0 | 0 | 112.2 | K1916 I1917 A1918 A1922 R1923 Q1924 | K1916-H1920 PolarHBondContact O-N 2.92Å; K1916-H1920 VanDerWaalsContact O-N 3.15Å; I1917-H1920 CarbonylContact O-C 3.53Å; I1917-H1920 WeakPolarHBondContact O-CA 3.46Å; I1917-H1920 WeakPolarHBondContact O-CB 3.35Å; I1917-H1920 PolarHBondContact O-N 3Å; I1917-H1920 VanDerWaalsContact O-N 3.1Å; A1918-H1920 VanDerWaalsContact C-N 3.28Å; A1918-H1920 PolarHBondContact O-N 2.98Å; H1920-A1922 VanDerWaalsContact C-N 3.31Å; H1920-A1922 PolarHBondContact O-N 3.16Å; H1920-R1923 WeakPolarHBondContact O-CB 3.3Å; H1920-R1923 PolarHBondContact O-N 3.21Å; H1920-R1923 VanDerWaalsContact O-N 3.13Å; H1920-Q1924 PolarHBondContact CD2-NE2 2.79Å; H1920-Q1924 PolarHBondContact NE2-NE2 3.17Å; H1920-Q1924 VanDerWaalsContact NE2-NE2 3.17Å; H1920-Q1924 PolarHBondContact O-N 3.26Å |
| 1921 | L | 70.5 | Confident | 76.4 | Confident | 35.8 Ų | 35.8 | 67.7 Ų | 67.7 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.2 | -73.1 | -179.5 | 0 | 0 | 0 | 112.4 | R1891 L1897 L1901 I1917 A1918 R1923 Q1924 | R1891-L1921 PolarHBondContact NH2-O 2.87Å; L1897-L1921 HydrophobicContact CD2-CB 4.27Å; L1897-L1921 HydrophobicContact CD2-CD1 4.44Å; L1901-L1921 HydrophobicContact CD1-CD1 4.25Å; L1901-L1921 HydrophobicContact CD2-CD1 3.67Å; L1901-L1921 HydrophobicContact CG-CD1 3.88Å; I1917-L1921 HydrophobicContact CG2-CD1 4.33Å; I1917-L1921 HydrophobicContact CG2-CG 4.38Å; I1917-L1921 WeakPolarHBondContact O-CG 3.18Å; I1917-L1921 PolarHBondContact O-N 3.08Å; A1918-L1921 PolarHBondContact O-N 3.12Å; L1921-R1923 PolarHBondContact O-N 2.97Å; L1921-Q1924 PolarHBondContact O-N 2.9Å; L1921-Q1924 VanDerWaalsContact O-N 3.14Å; L1921-Q1924 VanDerWaalsContact O-O 3.11Å |
| 1922 | A | 69.9 | Low | 77.1 | Confident | 15.2 Ų | 15.2 | 63.1 Ų | 63.1 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -28.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1891 A1918 H1920 | R1891-A1922 VanDerWaalsContact CZ-O 3.31Å; R1891-A1922 PolarHBondContact NH1-O 3.33Å; R1891-A1922 VanDerWaalsContact NH2-C 3.28Å; R1891-A1922 PolarHBondContact NH2-O 3.24Å; A1918-A1922 VanDerWaalsContact O-CB 3.26Å; A1918-A1922 WeakPolarHBondContact O-CB 3.27Å; A1918-A1922 PolarHBondContact O-N 3.04Å; H1920-A1922 VanDerWaalsContact C-N 3.31Å; H1920-A1922 PolarHBondContact O-N 3.16Å |
| 1923 | R | 71.8 | Confident | 77.8 | Confident | 125.8 Ų | 125.8 | 56.3 Ų | 56.3 | 48% | 0.475 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -80.3 | -21.9 | 174.6 | -69.3 | 172.8 | -174.1 | 170.1 | 1.9 | 113.4 | G1579 Q1919 H1920 L1921 P1957 D1964 | G1579-R1923 PolarHBondContact O-NE 2.83Å; G1579-R1923 PolarHBondContact O-NH2 2.83Å; Q1919-R1923 VanDerWaalsContact O-CG 3.32Å; Q1919-R1923 WeakPolarHBondContact O-CG 3.31Å; Q1919-R1923 PolarHBondContact O-N 2.97Å; H1920-R1923 WeakPolarHBondContact O-CB 3.3Å; H1920-R1923 PolarHBondContact O-N 3.21Å; H1920-R1923 VanDerWaalsContact O-N 3.13Å; L1921-R1923 PolarHBondContact O-N 2.97Å; R1923-P1957 HydrophobicContact CB-CB 4.4Å; R1923-P1957 HydrophobicContact CG-CB 4.47Å; R1923-P1957 VanDerWaalsContact O-CB 3.27Å; R1923-P1957 WeakPolarHBondContact O-CB 3.41Å; R1923-P1957 WeakPolarHBondContact O-CG 3.33Å; R1923-D1964 IonicContact NH1-OD2 3.79Å |
| 1924 | Q | 73.4 | Confident | 78.7 | Confident | 93.6 Ų | 93.6 | 52.1 Ų | 52.1 | 44% | 0.437 | 26% | 0.26 | S | S | . | . | trans | -81 | 129.6 | 175.4 | -68.3 | -174 | -6.1 | 0 | 0 | 110.6 | R1891 H1920 L1921 | R1891-Q1924 PolarHBondContact NH1-O 3.24Å; R1891-Q1924 PolarHBondContact NH2-O 3.07Å; H1920-Q1924 PolarHBondContact CD2-NE2 2.79Å; H1920-Q1924 PolarHBondContact NE2-NE2 3.17Å; H1920-Q1924 VanDerWaalsContact NE2-NE2 3.17Å; H1920-Q1924 PolarHBondContact O-N 3.26Å; L1921-Q1924 PolarHBondContact O-N 2.9Å; L1921-Q1924 VanDerWaalsContact O-N 3.14Å; L1921-Q1924 VanDerWaalsContact O-O 3.11Å | ||
| 1925 | I | 80.2 | Confident | 79.3 | Confident | 40.4 Ų | 40.4 | 54 Ų | 54 | 21% | 0.207 | 27% | 0.271 | C | S | . | . | trans | -121.1 | 126.8 | 176.7 | -52.4 | -179.5 | 0 | 0 | 0 | 108.5 | E1929 R1930 F1933 L1956 P1957 | I1925-E1929 WeakPolarHBondContact CA-OE2 3.4Å; I1925-E1929 HydrophobicContact CG2-CB 3.55Å; I1925-E1929 VanDerWaalsContact CG2-CB 3.41Å; I1925-E1929 HydrophobicContact CG2-CG 4.49Å; I1925-R1930 HydrophobicContact CB-CG 4.42Å; I1925-R1930 HydrophobicContact CG2-CB 4.06Å; I1925-R1930 HydrophobicContact CG2-CG 3.6Å; I1925-R1930 PolarHBondContact O-NE 3.23Å; I1925-R1930 PolarHBondContact O-NH2 2.84Å; I1925-F1933 HydrophobicContact CD1-CE2 4.12Å; I1925-F1933 HydrophobicContact CD1-CZ 4.04Å; I1925-L1956 HydrophobicContact CD1-CD1 3.48Å; I1925-L1956 VanDerWaalsContact CD1-CD1 3.48Å; I1925-L1956 HydrophobicContact CD1-CD2 3.7Å; I1925-L1956 HydrophobicContact CD1-CG 3.91Å; I1925-P1957 HydrophobicContact CD1-CB 3.98Å; I1925-P1957 HydrophobicContact CD1-CG 3.53Å; I1925-P1957 VanDerWaalsContact CD1-CG 3.48Å; I1925-P1957 HydrophobicContact CG1-CB 4.34Å; I1925-P1957 HydrophobicContact CG1-CG 3.58Å | ||
| 1926 | S | 80.9 | Confident | 79.9 | Confident | 51.2 Ų | 51.2 | 51.1 Ų | 51.1 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | trans | -75.3 | 161.6 | 173.1 | 70.9 | 0 | 0 | 0 | 0 | 112 | I1928 E1929 R1930 | S1926-I1928 VanDerWaalsContact C-N 3.29Å; S1926-I1928 PolarHBondContact O-N 3.26Å; S1926-E1929 PolarHBondContact N-OE2 3.31Å; S1926-E1929 VanDerWaalsContact N-OE2 3.12Å; S1926-E1929 WeakPolarHBondContact O-CB 3.44Å; S1926-E1929 PolarHBondContact O-N 3.25Å; S1926-E1929 WeakPolarHBondContact OG-CB 3.3Å; S1926-E1929 VanDerWaalsContact OG-CD 3.3Å; S1926-E1929 WeakPolarHBondContact OG-CG 3.33Å; S1926-E1929 PolarHBondContact OG-N 3.24Å; S1926-E1929 VanDerWaalsContact OG-N 3.16Å; S1926-E1929 PolarHBondContact OG-OE1 2.92Å; S1926-E1929 PolarHBondContact OG-OE2 3.13Å; S1926-R1930 WeakPolarHBondContact O-CB 3.34Å; S1926-R1930 WeakPolarHBondContact O-CG 3.02Å; S1926-R1930 PolarHBondContact O-N 2.91Å | ||
| 1927 | A | 80.9 | Confident | 80.7 | Confident | 58.8 Ų | 58.8 | 44.2 Ų | 44.2 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.2 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1011 I1070 E1929 R1930 K1931 | F1011-A1927 WeakPolarHBondContact O-CB 3.39Å; I1070-A1927 HydrophobicContact CD1-CB 4.33Å; I1070-A1927 WeakPolarHBondContact CD1-O 3.27Å; A1927-E1929 PolarHBondContact O-N 3.24Å; A1927-R1930 WeakPolarHBondContact O-CB 3.45Å; A1927-R1930 PolarHBondContact O-N 3.08Å; A1927-K1931 PolarHBondContact O-N 3.17Å; A1927-K1931 VanDerWaalsContact O-N 3.1Å |
| 1928 | I | 82.6 | Confident | 81.4 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 46% | 0.456 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 179.8 | -51.7 | 169.9 | 0 | 0 | 0 | 110.9 | L1862 S1926 K1931 L1932 | L1862-I1928 HydrophobicContact CB-CG2 3.84Å; L1862-I1928 HydrophobicContact CD1-CG2 4.49Å; L1862-I1928 HydrophobicContact CD2-CG2 4.37Å; L1862-I1928 WeakPolarHBondContact O-CG2 3.39Å; S1926-I1928 VanDerWaalsContact C-N 3.29Å; S1926-I1928 PolarHBondContact O-N 3.26Å; I1928-K1931 WeakPolarHBondContact O-CB 3.36Å; I1928-K1931 PolarHBondContact O-N 3.21Å; I1928-L1932 PolarHBondContact O-N 3.19Å; I1928-L1932 VanDerWaalsContact O-N 3.11Å |
| 1929 | E | 85.2 | Confident | 82.2 | Confident | 10.6 Ų | 10.6 | 45.3 Ų | 45.3 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 172.8 | -71.8 | 171.1 | 163.4 | 0 | 0 | 110.7 | L1862 Y1887 R1891 I1925 S1926 A1927 K1931 L1932 F1933 | L1862-E1929 HydrophobicContact CD1-CG 3.85Å; L1862-E1929 HydrophobicContact CD2-CB 4.43Å; L1862-E1929 HydrophobicContact CD2-CG 3.85Å; L1862-E1929 HydrophobicContact CG-CG 4.42Å; Y1887-E1929 HydrophobicContact CE1-CB 4.47Å; Y1887-E1929 HydrophobicContact CE1-CG 3.77Å; Y1887-E1929 WeakPolarHBondContact CE1-OE1 3.41Å; Y1887-E1929 VanDerWaalsContact CZ-OE1 3.31Å; Y1887-E1929 VanDerWaalsContact OH-CD 3.26Å; Y1887-E1929 WeakPolarHBondContact OH-CG 3.41Å; Y1887-E1929 PolarHBondContact OH-OE1 3.2Å; R1891-E1929 IonicContact CZ-OE1 3.65Å; R1891-E1929 IonicContact CZ-OE2 3.31Å; R1891-E1929 VanDerWaalsContact NH1-CD 3.27Å; R1891-E1929 IonicContact NH1-OE1 3.14Å; R1891-E1929 PolarHBondContact NH1-OE1 3.21Å; R1891-E1929 IonicContact NH1-OE2 3.31Å; R1891-E1929 PolarHBondContact NH1-OE2 3.11Å; R1891-E1929 IonicContact NH2-OE2 2.75Å; I1925-E1929 WeakPolarHBondContact CA-OE2 3.4Å; I1925-E1929 HydrophobicContact CG2-CB 3.55Å; I1925-E1929 VanDerWaalsContact CG2-CB 3.41Å; I1925-E1929 HydrophobicContact CG2-CG 4.49Å; S1926-E1929 PolarHBondContact N-OE2 3.31Å; S1926-E1929 VanDerWaalsContact N-OE2 3.12Å; S1926-E1929 WeakPolarHBondContact O-CB 3.44Å; S1926-E1929 PolarHBondContact O-N 3.25Å; S1926-E1929 WeakPolarHBondContact OG-CB 3.3Å; S1926-E1929 VanDerWaalsContact OG-CD 3.3Å; S1926-E1929 WeakPolarHBondContact OG-CG 3.33Å; S1926-E1929 PolarHBondContact OG-N 3.24Å; S1926-E1929 VanDerWaalsContact OG-N 3.16Å; S1926-E1929 PolarHBondContact OG-OE1 2.92Å; S1926-E1929 PolarHBondContact OG-OE2 3.13Å; A1927-E1929 PolarHBondContact O-N 3.24Å; E1929-K1931 VanDerWaalsContact C-N 3.26Å; E1929-K1931 PolarHBondContact O-N 3Å; E1929-L1932 WeakPolarHBondContact O-CA 3.39Å; E1929-L1932 VanDerWaalsContact O-CB 3.29Å; E1929-L1932 WeakPolarHBondContact O-CB 3.3Å; E1929-L1932 PolarHBondContact O-N 3.12Å; E1929-F1933 VanDerWaalsContact O-CD2 3.29Å; E1929-F1933 WeakPolarHBondContact O-CD2 3.34Å; E1929-F1933 PolarHBondContact O-N 3.19Å; E1929-F1933 VanDerWaalsContact O-N 3.1Å |
| 1930 | R | 86.9 | Confident | 83 | Confident | 65.2 Ų | 65.2 | 42.3 Ų | 42.3 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.5 | -43 | 176.1 | -138.5 | -176.7 | -168.3 | 146.8 | 5.7 | 111.4 | G1068 I1070 I1925 S1926 A1927 L1932 F1933 F1934 L1956 D2079 | G1068-R1930 VanDerWaalsContact O-CZ 3.23Å; G1068-R1930 PolarHBondContact O-NE 3.07Å; G1068-R1930 PolarHBondContact O-NH2 3.03Å; I1070-R1930 HydrophobicContact CD1-CB 4.19Å; I1070-R1930 HydrophobicContact CD1-CG 4.24Å; I1925-R1930 HydrophobicContact CB-CG 4.42Å; I1925-R1930 HydrophobicContact CG2-CB 4.06Å; I1925-R1930 HydrophobicContact CG2-CG 3.6Å; I1925-R1930 PolarHBondContact O-NE 3.23Å; I1925-R1930 PolarHBondContact O-NH2 2.84Å; S1926-R1930 WeakPolarHBondContact O-CB 3.34Å; S1926-R1930 WeakPolarHBondContact O-CG 3.02Å; S1926-R1930 PolarHBondContact O-N 2.91Å; A1927-R1930 WeakPolarHBondContact O-CB 3.45Å; A1927-R1930 PolarHBondContact O-N 3.08Å; R1930-L1932 VanDerWaalsContact C-N 3.29Å; R1930-L1932 PolarHBondContact O-N 3.07Å; R1930-F1933 WeakPolarHBondContact O-CB 3.46Å; R1930-F1933 PolarHBondContact O-N 3.03Å; R1930-F1933 VanDerWaalsContact O-N 3.13Å; R1930-F1934 HydrophobicContact CB-CD2 4.36Å; R1930-F1934 HydrophobicContact CB-CE2 3.92Å; R1930-F1934 HydrophobicContact CG-CD2 3.78Å; R1930-F1934 HydrophobicContact CG-CE2 3.69Å; R1930-F1934 VanDerWaalsContact CG-CE2 3.42Å; R1930-F1934 HydrophobicContact CG-CZ 4.36Å; R1930-F1934 VanDerWaalsContact O-CD2 3.3Å; R1930-F1934 WeakPolarHBondContact O-CD2 3.26Å; R1930-F1934 WeakPolarHBondContact O-CG 3.37Å; R1930-F1934 PolarHBondContact O-N 3.25Å; R1930-F1934 VanDerWaalsContact O-N 3.12Å; R1930-L1956 HydrophobicContact CG-CD1 4.38Å; R1930-D2079 IonicContact CZ-OD1 2.7Å; R1930-D2079 IonicContact CZ-OD2 3.59Å; R1930-D2079 IonicContact NE-OD2 3.53Å; R1930-D2079 PolarHBondContact NE-OD2 2.84Å; R1930-D2079 IonicContact NH1-OD1 3.74Å; R1930-D2079 IonicContact NH1-OD2 2.96Å; R1930-D2079 PolarHBondContact NH1-OD2 3.11Å; R1930-D2079 VanDerWaalsContact NH1-OD2 3.1Å; R1930-D2079 IonicContact NH2-OD1 2.89Å; R1930-D2079 PolarHBondContact NH2-OD1 3.34Å; R1930-D2079 IonicContact NH2-OD2 3.33Å; R1930-D2079 PolarHBondContact NH2-OD2 2.89Å |
| 1931 | K | 87.6 | Confident | 83.8 | Confident | 63.6 Ų | 63.6 | 39.7 Ų | 39.7 | 28% | 0.277 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.3 | -42.6 | 174 | -168.4 | 179.2 | -179 | 178.5 | 0 | 112 | I1070 E1071 E1864 D1866 A1927 I1928 E1929 F1934 N1935 | I1070-K1931 HydrophobicContact CD1-CB 3.67Å; I1070-K1931 HydrophobicContact CD1-CG 4.36Å; E1071-K1931 VanDerWaalsContact OE1-CE 3.25Å; E1071-K1931 WeakPolarHBondContact OE1-CE 3.35Å; E1071-K1931 IonicContact OE1-NZ 2.84Å; E1071-K1931 PolarHBondContact OE1-NZ 2.86Å; E1071-K1931 IonicContact OE2-NZ 3.02Å; E1864-K1931 WeakPolarHBondContact OE1-CD 3.49Å; E1864-K1931 VanDerWaalsContact OE1-CE 3.26Å; E1864-K1931 WeakPolarHBondContact OE1-CE 3.27Å; E1864-K1931 IonicContact OE1-NZ 3.22Å; E1864-K1931 PolarHBondContact OE1-NZ 3.29Å; E1864-K1931 IonicContact OE2-NZ 3.83Å; E1864-K1931 PolarHBondContact OE2-NZ 2.8Å; D1866-K1931 IonicContact OD1-NZ 3.37Å; D1866-K1931 PolarHBondContact OD1-NZ 3.12Å; A1927-K1931 PolarHBondContact O-N 3.17Å; A1927-K1931 VanDerWaalsContact O-N 3.1Å; I1928-K1931 WeakPolarHBondContact O-CB 3.36Å; I1928-K1931 PolarHBondContact O-N 3.21Å; E1929-K1931 VanDerWaalsContact C-N 3.26Å; E1929-K1931 PolarHBondContact O-N 3Å; K1931-F1934 PolarHBondContact O-N 3.32Å; K1931-N1935 VanDerWaalsContact O-CB 3.25Å; K1931-N1935 WeakPolarHBondContact O-CB 3.28Å; K1931-N1935 PolarHBondContact O-N 3.16Å; K1931-N1935 PolarHBondContact O-ND2 2.89Å |
| 1932 | L | 88.1 | Confident | 84.6 | Confident | 12.4 Ų | 12.4 | 42.2 Ų | 42.2 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 176.3 | 177.9 | 64.6 | 0 | 0 | 0 | 112.4 | L1862 T1865 V1883 F1884 Y1887 I1928 E1929 R1930 F1934 N1935 T1936 | L1862-L1932 HydrophobicContact CD2-CB 4.44Å; L1862-L1932 HydrophobicContact CD2-CD2 4.06Å; T1865-L1932 HydrophobicContact CG2-CB 4.28Å; T1865-L1932 HydrophobicContact CG2-CD1 3.79Å; T1865-L1932 VanDerWaalsContact CG2-CD1 3.48Å; T1865-L1932 HydrophobicContact CG2-CG 4.29Å; V1883-L1932 HydrophobicContact CG1-CD1 4.11Å; F1884-L1932 HydrophobicContact CB-CD1 4.37Å; F1884-L1932 HydrophobicContact CD2-CD2 4.49Å; F1884-L1932 HydrophobicContact CD2-CG 4.32Å; Y1887-L1932 HydrophobicContact CD1-CD2 3.72Å; Y1887-L1932 HydrophobicContact CE1-CD2 4.42Å; Y1887-L1932 HydrophobicContact CG-CD2 3.86Å; I1928-L1932 PolarHBondContact O-N 3.19Å; I1928-L1932 VanDerWaalsContact O-N 3.11Å; E1929-L1932 WeakPolarHBondContact O-CA 3.39Å; E1929-L1932 VanDerWaalsContact O-CB 3.29Å; E1929-L1932 WeakPolarHBondContact O-CB 3.3Å; E1929-L1932 PolarHBondContact O-N 3.12Å; R1930-L1932 VanDerWaalsContact C-N 3.29Å; R1930-L1932 PolarHBondContact O-N 3.07Å; L1932-F1934 PolarHBondContact O-N 3Å; L1932-N1935 PolarHBondContact O-N 2.77Å; L1932-T1936 WeakPolarHBondContact O-CB 3.36Å; L1932-T1936 PolarHBondContact O-N 3.14Å; L1932-T1936 VanDerWaalsContact O-N 3.1Å; L1932-T1936 PolarHBondContact O-OG1 3.2Å |
| 1933 | F | 90.2 | Very high | 85.3 | Confident | 2.8 Ų | 2.8 | 43.9 Ų | 43.9 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -50.1 | 176.7 | -81.8 | -107.5 | 0 | 0 | 0 | 111.2 | F1884 V1888 I1925 E1929 R1930 T1936 A1937 V1952 K1955 L1956 | F1884-F1933 HydrophobicContact CD2-CG 4.48Å; F1884-F1933 HydrophobicContact CE2-CB 4.36Å; F1884-F1933 AromaticContact CE2-CD1 3.45Å; F1884-F1933 HydrophobicContact CE2-CD1 3.45Å; F1884-F1933 VanDerWaalsContact CE2-CD1 3.46Å; F1884-F1933 AromaticContact CE2-CD2 3.87Å; F1884-F1933 HydrophobicContact CE2-CD2 3.87Å; F1884-F1933 AromaticContact CE2-CE1 3.56Å; F1884-F1933 HydrophobicContact CE2-CE1 3.56Å; F1884-F1933 VanDerWaalsContact CE2-CE1 3.47Å; F1884-F1933 AromaticContact CE2-CE2 3.95Å; F1884-F1933 HydrophobicContact CE2-CE2 3.99Å; F1884-F1933 AromaticContact CE2-CG 3.62Å; F1884-F1933 HydrophobicContact CE2-CG 3.62Å; F1884-F1933 AromaticContact CE2-CZ 3.84Å; F1884-F1933 HydrophobicContact CE2-CZ 3.84Å; F1884-F1933 AromaticContact CZ-CD1 3.79Å; F1884-F1933 HydrophobicContact CZ-CD1 3.79Å; F1884-F1933 AromaticContact CZ-CE1 3.7Å; F1884-F1933 HydrophobicContact CZ-CE1 3.7Å; F1884-F1933 HydrophobicContact CZ-CG 4.42Å; F1884-F1933 HydrophobicContact CZ-CZ 4.26Å; V1888-F1933 HydrophobicContact CG2-CE1 4.43Å; V1888-F1933 HydrophobicContact CG2-CE2 4.47Å; V1888-F1933 HydrophobicContact CG2-CZ 4.04Å; I1925-F1933 HydrophobicContact CD1-CE2 4.12Å; I1925-F1933 HydrophobicContact CD1-CZ 4.04Å; E1929-F1933 VanDerWaalsContact O-CD2 3.29Å; E1929-F1933 WeakPolarHBondContact O-CD2 3.34Å; E1929-F1933 PolarHBondContact O-N 3.19Å; E1929-F1933 VanDerWaalsContact O-N 3.1Å; R1930-F1933 WeakPolarHBondContact O-CB 3.46Å; R1930-F1933 PolarHBondContact O-N 3.03Å; R1930-F1933 VanDerWaalsContact O-N 3.13Å; F1933-T1936 PolarHBondContact O-N 3.28Å; F1933-A1937 WeakPolarHBondContact O-CB 3.3Å; F1933-A1937 PolarHBondContact O-N 3.34Å; F1933-V1952 HydrophobicContact CD1-CG1 4.37Å; F1933-V1952 WeakPolarHBondContact CD1-O 3.22Å; F1933-V1952 VanDerWaalsContact O-CG1 3.25Å; F1933-V1952 WeakPolarHBondContact O-CG1 3.39Å; F1933-K1955 HydrophobicContact CE1-CB 3.96Å; F1933-L1956 HydrophobicContact CB-CD1 4.27Å; F1933-L1956 HydrophobicContact CB-CD2 3.87Å; F1933-L1956 HydrophobicContact CB-CG 4.39Å; F1933-L1956 HydrophobicContact CD1-CB 4.36Å; F1933-L1956 HydrophobicContact CD1-CD1 4.29Å; F1933-L1956 HydrophobicContact CD1-CD2 3.48Å; F1933-L1956 VanDerWaalsContact CD1-CD2 3.46Å; F1933-L1956 HydrophobicContact CD1-CG 3.66Å; F1933-L1956 HydrophobicContact CD2-CD1 4.27Å; F1933-L1956 HydrophobicContact CD2-CD2 4.24Å; F1933-L1956 HydrophobicContact CE1-CD1 4.4Å; F1933-L1956 HydrophobicContact CE1-CD2 4.02Å; F1933-L1956 HydrophobicContact CE1-CG 4.23Å; F1933-L1956 HydrophobicContact CE2-CD2 4.49Å; F1933-L1956 HydrophobicContact CG-CD1 3.84Å; F1933-L1956 HydrophobicContact CG-CD2 3.6Å; F1933-L1956 HydrophobicContact CG-CG 4.21Å; F1933-L1956 HydrophobicContact CZ-CD2 4.44Å |
| 1934 | F | 90.8 | Very high | 86 | Confident | 16 Ų | 16 | 39 Ų | 39 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69 | -39 | -177.9 | -72.4 | -62.7 | 0 | 0 | 0 | 113.2 | E1065 S1066 G1068 R1930 K1931 L1932 T1936 A1937 S1938 L1953 L1956 D2079 I2081 A2082 L2085 | E1065-F1934 WeakPolarHBondContact O-CB 3.41Å; E1065-F1934 WeakPolarHBondContact O-CD1 3.45Å; S1066-F1934 CarbonylContact O-C 3.23Å; S1066-F1934 VanDerWaalsContact O-C 3.3Å; G1068-F1934 VanDerWaalsContact CA-CD1 3.49Å; R1930-F1934 HydrophobicContact CB-CD2 4.36Å; R1930-F1934 HydrophobicContact CB-CE2 3.92Å; R1930-F1934 HydrophobicContact CG-CD2 3.78Å; R1930-F1934 HydrophobicContact CG-CE2 3.69Å; R1930-F1934 VanDerWaalsContact CG-CE2 3.42Å; R1930-F1934 HydrophobicContact CG-CZ 4.36Å; R1930-F1934 VanDerWaalsContact O-CD2 3.3Å; R1930-F1934 WeakPolarHBondContact O-CD2 3.26Å; R1930-F1934 WeakPolarHBondContact O-CG 3.37Å; R1930-F1934 PolarHBondContact O-N 3.25Å; R1930-F1934 VanDerWaalsContact O-N 3.12Å; K1931-F1934 PolarHBondContact O-N 3.32Å; L1932-F1934 PolarHBondContact O-N 3Å; F1934-T1936 VanDerWaalsContact C-N 3.32Å; F1934-T1936 PolarHBondContact O-N 3.02Å; F1934-A1937 PolarHBondContact O-N 3.3Å; F1934-S1938 VanDerWaalsContact O-CB 3.28Å; F1934-S1938 WeakPolarHBondContact O-CB 3.39Å; F1934-S1938 PolarHBondContact O-N 3.08Å; F1934-L1953 HydrophobicContact CD1-CD2 4.05Å; F1934-L1953 HydrophobicContact CE1-CD2 4.04Å; F1934-L1953 HydrophobicContact CZ-CD2 4.45Å; F1934-L1956 HydrophobicContact CE1-CD1 4.16Å; F1934-L1956 HydrophobicContact CE1-CD2 4.5Å; F1934-L1956 HydrophobicContact CE2-CD1 3.86Å; F1934-L1956 HydrophobicContact CE2-CD2 4.45Å; F1934-L1956 HydrophobicContact CZ-CD1 4.1Å; F1934-L1956 HydrophobicContact CZ-CD2 4.36Å; F1934-D2079 VanDerWaalsContact CZ-OD1 3.29Å; F1934-D2079 WeakPolarHBondContact CZ-OD1 3.39Å; F1934-D2079 WeakPolarHBondContact CZ-OD2 3.32Å; F1934-I2081 HydrophobicContact CD1-CG2 4.02Å; F1934-I2081 HydrophobicContact CD2-CG2 4.18Å; F1934-I2081 HydrophobicContact CE1-CB 4.19Å; F1934-I2081 HydrophobicContact CE1-CG2 3.82Å; F1934-I2081 HydrophobicContact CE2-CB 4.32Å; F1934-I2081 HydrophobicContact CE2-CG2 4.25Å; F1934-I2081 HydrophobicContact CG-CG2 4.04Å; F1934-I2081 HydrophobicContact CZ-CB 4.09Å; F1934-I2081 HydrophobicContact CZ-CG2 4.11Å; F1934-A2082 HydrophobicContact CE1-CB 3.9Å; F1934-A2082 HydrophobicContact CZ-CB 4.09Å; F1934-L2085 HydrophobicContact CB-CD1 4.44Å; F1934-L2085 HydrophobicContact CD1-CD1 3.75Å; F1934-L2085 HydrophobicContact CE1-CD1 4.02Å; F1934-L2085 HydrophobicContact CG-CD1 4.46Å |
| 1935 | N | 88.4 | Confident | 86.8 | Confident | 62.2 Ų | 62.2 | 35.5 Ų | 35.5 | 33% | 0.333 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.2 | -113.6 | -11.1 | 0 | 0 | 0 | 110.2 | S1066 K1931 L1932 A1937 S1938 T1939 | S1066-N1935 WeakPolarHBondContact O-CA 3.39Å; S1066-N1935 WeakPolarHBondContact O-CB 2.78Å; S1066-N1935 PolarHBondContact O-N 3.41Å; K1931-N1935 VanDerWaalsContact O-CB 3.25Å; K1931-N1935 WeakPolarHBondContact O-CB 3.28Å; K1931-N1935 PolarHBondContact O-N 3.16Å; K1931-N1935 PolarHBondContact O-ND2 2.89Å; L1932-N1935 PolarHBondContact O-N 2.77Å; N1935-A1937 PolarHBondContact O-N 3.1Å; N1935-S1938 PolarHBondContact O-N 3.14Å; N1935-T1939 VanDerWaalsContact O-CG2 3.26Å; N1935-T1939 WeakPolarHBondContact O-CG2 3.3Å; N1935-T1939 PolarHBondContact O-N 3.12Å; N1935-T1939 PolarHBondContact O-OG1 3.04Å; N1935-T1939 WeakPolarHBondContact OD1-CG2 3.32Å |
| 1936 | T | 89 | Confident | 87.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 178.5 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | F1884 L1932 F1933 F1934 S1938 T1939 H1940 V1952 | F1884-T1936 HydrophobicContact CB-CG2 3.75Å; F1884-T1936 WeakPolarHBondContact CB-OG1 3.27Å; F1884-T1936 HydrophobicContact CD1-CG2 4.2Å; F1884-T1936 HydrophobicContact CD2-CG2 4.44Å; F1884-T1936 HydrophobicContact CG-CG2 3.89Å; L1932-T1936 WeakPolarHBondContact O-CB 3.36Å; L1932-T1936 PolarHBondContact O-N 3.14Å; L1932-T1936 VanDerWaalsContact O-N 3.1Å; L1932-T1936 PolarHBondContact O-OG1 3.2Å; F1933-T1936 PolarHBondContact O-N 3.28Å; F1934-T1936 VanDerWaalsContact C-N 3.32Å; F1934-T1936 PolarHBondContact O-N 3.02Å; T1936-S1938 VanDerWaalsContact C-N 3.34Å; T1936-S1938 PolarHBondContact O-N 2.96Å; T1936-T1939 WeakPolarHBondContact CA-OG1 3.4Å; T1936-T1939 PolarHBondContact O-N 3.18Å; T1936-T1939 VanDerWaalsContact O-N 3.1Å; T1936-T1939 PolarHBondContact O-OG1 3.14Å; T1936-H1940 PolarHBondContact O-CD2 3.17Å; T1936-H1940 VanDerWaalsContact O-CD2 3.23Å; T1936-H1940 PolarHBondContact O-N 3.16Å; T1936-H1940 VanDerWaalsContact O-N 3.09Å; T1936-V1952 HydrophobicContact CG2-CG1 4.43Å; T1936-V1952 HydrophobicContact CG2-CG2 4.08Å |
| 1937 | A | 90.5 | Very high | 87.8 | Confident | 0.4 Ų | 0.4 | 33.6 Ų | 33.6 | 0% | 0.003 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1933 F1934 N1935 T1939 H1940 L1941 A1949 V1952 L1953 | F1933-A1937 WeakPolarHBondContact O-CB 3.3Å; F1933-A1937 PolarHBondContact O-N 3.34Å; F1934-A1937 PolarHBondContact O-N 3.3Å; N1935-A1937 PolarHBondContact O-N 3.1Å; A1937-T1939 VanDerWaalsContact C-N 3.3Å; A1937-T1939 PolarHBondContact O-N 3.16Å; A1937-H1940 PolarHBondContact O-N 3.35Å; A1937-L1941 PolarHBondContact O-N 3.27Å; A1937-A1949 HydrophobicContact CB-CB 4.38Å; A1937-A1949 WeakPolarHBondContact O-CB 3.39Å; A1937-V1952 HydrophobicContact CB-CB 4.34Å; A1937-V1952 HydrophobicContact CB-CG1 4Å; A1937-L1953 HydrophobicContact CB-CD1 4.11Å; A1937-L1953 HydrophobicContact CB-CD2 3.8Å; A1937-L1953 HydrophobicContact CB-CG 3.74Å |
| 1938 | S | 88.8 | Confident | 88.2 | Confident | 24.8 Ų | 24.8 | 32.4 Ų | 32.4 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | S1066 F1934 N1935 T1936 H1940 L1941 Q1942 | S1066-S1938 WeakPolarHBondContact CB-OG 3.47Å; F1934-S1938 VanDerWaalsContact O-CB 3.28Å; F1934-S1938 WeakPolarHBondContact O-CB 3.39Å; F1934-S1938 PolarHBondContact O-N 3.08Å; N1935-S1938 PolarHBondContact O-N 3.14Å; T1936-S1938 VanDerWaalsContact C-N 3.34Å; T1936-S1938 PolarHBondContact O-N 2.96Å; S1938-H1940 VanDerWaalsContact C-N 3.33Å; S1938-H1940 PolarHBondContact O-N 3.17Å; S1938-L1941 PolarHBondContact O-N 3.2Å; S1938-Q1942 WeakPolarHBondContact O-CB 3.19Å; S1938-Q1942 VanDerWaalsContact O-CG 3.26Å; S1938-Q1942 WeakPolarHBondContact O-CG 3.36Å; S1938-Q1942 PolarHBondContact O-N 2.93Å; S1938-Q1942 PolarHBondContact OG-NE2 3.21Å |
| 1939 | T | 87.1 | Confident | 88.6 | Confident | 30.6 Ų | 30.6 | 28.1 Ų | 28.1 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.4 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | S1880 N1935 T1936 A1937 L1941 Q1942 C1943 | S1880-T1939 PolarHBondContact OG-OG1 3.07Å; S1880-T1939 VanDerWaalsContact OG-OG1 3.05Å; N1935-T1939 VanDerWaalsContact O-CG2 3.26Å; N1935-T1939 WeakPolarHBondContact O-CG2 3.3Å; N1935-T1939 PolarHBondContact O-N 3.12Å; N1935-T1939 PolarHBondContact O-OG1 3.04Å; N1935-T1939 WeakPolarHBondContact OD1-CG2 3.32Å; T1936-T1939 WeakPolarHBondContact CA-OG1 3.4Å; T1936-T1939 PolarHBondContact O-N 3.18Å; T1936-T1939 VanDerWaalsContact O-N 3.1Å; T1936-T1939 PolarHBondContact O-OG1 3.14Å; A1937-T1939 VanDerWaalsContact C-N 3.3Å; A1937-T1939 PolarHBondContact O-N 3.16Å; T1939-L1941 VanDerWaalsContact C-N 3.35Å; T1939-L1941 PolarHBondContact O-N 3.14Å; T1939-Q1942 PolarHBondContact O-N 3.31Å; T1939-C1943 WeakPolarHBondContact O-CB 3.35Å; T1939-C1943 PolarHBondContact O-N 3.3Å; T1939-C1943 VanDerWaalsContact O-N 3.11Å; T1939-C1943 PolarHBondContact O-SG 3.05Å |
| 1940 | H | 89.1 | Confident | 88.8 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 174.7 | -75.1 | -58.4 | 0 | 0 | 0 | 112.5 | S1881 T1936 A1937 S1938 Q1942 C1943 G1944 C1945 L1948 A1949 | S1881-H1940 PolarHBondContact OG-CE1 3.14Å; S1881-H1940 PolarHBondContact OG-NE2 3.4Å; T1936-H1940 PolarHBondContact O-CD2 3.17Å; T1936-H1940 VanDerWaalsContact O-CD2 3.23Å; T1936-H1940 PolarHBondContact O-N 3.16Å; T1936-H1940 VanDerWaalsContact O-N 3.09Å; A1937-H1940 PolarHBondContact O-N 3.35Å; S1938-H1940 VanDerWaalsContact C-N 3.33Å; S1938-H1940 PolarHBondContact O-N 3.17Å; H1940-Q1942 VanDerWaalsContact C-N 3.35Å; H1940-Q1942 PolarHBondContact O-N 3.2Å; H1940-C1943 PolarHBondContact O-N 3.11Å; H1940-C1943 VanDerWaalsContact O-N 3.12Å; H1940-G1944 PolarHBondContact O-N 3.2Å; H1940-C1945 CarbonylContact O-C 3.55Å; H1940-C1945 WeakPolarHBondContact O-CA 3.28Å; H1940-C1945 PolarHBondContact O-N 3.1Å; H1940-L1948 HydrophobicContact CB-CB 4.08Å; H1940-L1948 WeakPolarHBondContact ND1-CD1 3.38Å; H1940-A1949 HydrophobicContact CB-CB 4.14Å |
| 1941 | L | 88.7 | Confident | 88.8 | Confident | 16.6 Ų | 16.6 | 26.4 Ų | 26.4 | 9% | 0.087 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.6 | -116.4 | 131.1 | 0 | 0 | 0 | 112.6 | A1937 S1938 T1939 C1943 G1944 P1946 A1949 L2085 I2088 S2089 K2092 | A1937-L1941 PolarHBondContact O-N 3.27Å; S1938-L1941 PolarHBondContact O-N 3.2Å; T1939-L1941 VanDerWaalsContact C-N 3.35Å; T1939-L1941 PolarHBondContact O-N 3.14Å; L1941-C1943 VanDerWaalsContact C-N 3.31Å; L1941-C1943 PolarHBondContact O-N 3.3Å; L1941-G1944 PolarHBondContact O-N 3.15Å; L1941-G1944 VanDerWaalsContact O-N 3.11Å; L1941-P1946 HydrophobicContact CD1-CB 4Å; L1941-P1946 HydrophobicContact CD2-CB 4.06Å; L1941-A1949 HydrophobicContact CB-CB 4.21Å; L1941-A1949 HydrophobicContact CD1-CB 4.34Å; L1941-A1949 HydrophobicContact CD2-CB 4.33Å; L1941-A1949 HydrophobicContact CG-CB 3.77Å; L1941-L2085 HydrophobicContact CD1-CD2 3.98Å; L1941-L2085 HydrophobicContact CD2-CD2 4.08Å; L1941-I2088 HydrophobicContact CD2-CG2 4.19Å; L1941-S2089 WeakPolarHBondContact CD2-OG 3.21Å; L1941-K2092 HydrophobicContact CD1-CD 4.01Å; L1941-K2092 HydrophobicContact CD2-CD 4.26Å; L1941-K2092 PolarHBondContact O-NZ 3.06Å |
| 1942 | Q | 86.1 | Confident | 88.9 | Confident | 89.6 Ų | 89.6 | 23.6 Ų | 23.6 | 42% | 0.419 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.2 | -33.6 | 176.7 | -71.6 | 172.5 | -2.7 | 0 | 0 | 112.2 | Q1191 V1224 V1225 S1938 T1939 H1940 G1944 | Q1191-Q1942 PolarHBondContact NE2-O 3.25Å; Q1191-Q1942 PolarHBondContact OE1-O 3.44Å; V1224-Q1942 HydrophobicContact CB-CB 4.38Å; V1224-Q1942 HydrophobicContact CG1-CB 3.45Å; V1224-Q1942 VanDerWaalsContact CG1-CB 3.45Å; V1224-Q1942 HydrophobicContact CG1-CG 4.34Å; V1224-Q1942 VanDerWaalsContact CG1-OE1 3.24Å; V1225-Q1942 HydrophobicContact CG2-CB 4.1Å; V1225-Q1942 HydrophobicContact CG2-CG 3.77Å; S1938-Q1942 WeakPolarHBondContact O-CB 3.19Å; S1938-Q1942 VanDerWaalsContact O-CG 3.26Å; S1938-Q1942 WeakPolarHBondContact O-CG 3.36Å; S1938-Q1942 PolarHBondContact O-N 2.93Å; S1938-Q1942 PolarHBondContact OG-NE2 3.21Å; T1939-Q1942 PolarHBondContact O-N 3.31Å; H1940-Q1942 VanDerWaalsContact C-N 3.35Å; H1940-Q1942 PolarHBondContact O-N 3.2Å; Q1942-G1944 VanDerWaalsContact C-N 3.29Å; Q1942-G1944 PolarHBondContact O-N 3.15Å |
| 1943 | C | 84.5 | Confident | 88.9 | Confident | 51 Ų | 51 | 23 Ų | 23 | 35% | 0.345 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 2 | 175.1 | -64.7 | 0 | 0 | 0 | 0 | 114 | L1372 R1378 T1939 H1940 L1941 | L1372-C1943 WeakPolarHBondContact CD1-O 3.32Å; R1378-C1943 PolarHBondContact NH2-SG 3.17Å; T1939-C1943 WeakPolarHBondContact O-CB 3.35Å; T1939-C1943 PolarHBondContact O-N 3.3Å; T1939-C1943 VanDerWaalsContact O-N 3.11Å; T1939-C1943 PolarHBondContact O-SG 3.05Å; H1940-C1943 PolarHBondContact O-N 3.11Å; H1940-C1943 VanDerWaalsContact O-N 3.12Å; L1941-C1943 VanDerWaalsContact C-N 3.31Å; L1941-C1943 PolarHBondContact O-N 3.3Å |
| 1944 | G | 87.4 | Confident | 88.6 | Confident | 21.6 Ų | 21.6 | 24.4 Ų | 24.4 | 22% | 0.223 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 22.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1372 H1940 L1941 Q1942 P1946 | L1372-G1944 PolarHBondContact N-O 3.07Å; H1940-G1944 PolarHBondContact O-N 3.2Å; L1941-G1944 PolarHBondContact O-N 3.15Å; L1941-G1944 VanDerWaalsContact O-N 3.11Å; Q1942-G1944 VanDerWaalsContact C-N 3.29Å; Q1942-G1944 PolarHBondContact O-N 3.15Å; G1944-P1946 VanDerWaalsContact C-CD 3.43Å; G1944-P1946 VanDerWaalsContact O-CD 3.29Å; G1944-P1946 WeakPolarHBondContact O-CD 3.44Å |
| 1945 | C | 90.3 | Very high | 88.3 | Confident | 21.2 Ų | 21.2 | 26.1 Ų | 26.1 | 14% | 0.143 | 15% | 0.148 | C | C | . | . | trans | -116.2 | 70.4 | 179 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | H1940 L1947 L1948 A1949 | H1940-C1945 CarbonylContact O-C 3.55Å; H1940-C1945 WeakPolarHBondContact O-CA 3.28Å; H1940-C1945 PolarHBondContact O-N 3.1Å; C1945-L1947 VanDerWaalsContact C-N 3.29Å; C1945-L1947 PolarHBondContact O-N 3.14Å; C1945-L1948 HydrophobicContact CB-CB 4.4Å; C1945-L1948 HydrophobicContact CB-CD1 3.84Å; C1945-L1948 HydrophobicContact CB-CG 4.35Å; C1945-L1948 PolarHBondContact O-N 3.11Å; C1945-A1949 PolarHBondContact O-N 3.06Å | ||
| 1946 | P | 91 | Very high | 88 | Confident | 9.2 Ų | 9.2 | 24.2 Ų | 24.2 | 6% | 0.06 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -31.4 | -176.5 | 25.6 | -35 | 0 | 0 | 0 | 113.4 | L1371 L1941 G1944 L1948 A1949 I1950 K2092 I2093 | L1371-P1946 HydrophobicContact CD1-CG 4.34Å; L1371-P1946 HydrophobicContact CD2-CG 3.88Å; L1941-P1946 HydrophobicContact CD1-CB 4Å; L1941-P1946 HydrophobicContact CD2-CB 4.06Å; G1944-P1946 VanDerWaalsContact C-CD 3.43Å; G1944-P1946 VanDerWaalsContact O-CD 3.29Å; G1944-P1946 WeakPolarHBondContact O-CD 3.44Å; P1946-L1948 VanDerWaalsContact C-N 3.27Å; P1946-L1948 PolarHBondContact O-N 3.16Å; P1946-A1949 WeakPolarHBondContact O-CA 3.42Å; P1946-A1949 WeakPolarHBondContact O-CB 3.41Å; P1946-A1949 PolarHBondContact O-N 3.3Å; P1946-A1949 VanDerWaalsContact O-N 3.11Å; P1946-I1950 WeakPolarHBondContact O-CG1 3.27Å; P1946-I1950 PolarHBondContact O-N 3.25Å; P1946-K2092 HydrophobicContact CB-CB 4.49Å; P1946-K2092 HydrophobicContact CG-CB 4.49Å; P1946-I2093 HydrophobicContact CB-CD1 4.1Å; P1946-I2093 HydrophobicContact CB-CG1 4.01Å; P1946-I2093 HydrophobicContact CG-CD1 4.02Å; P1946-I2093 HydrophobicContact CG-CG1 3.57Å |
| 1947 | L | 89.9 | Confident | 87.3 | Confident | 42.4 Ų | 42.4 | 25.4 Ų | 25.4 | 22% | 0.222 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 178.9 | -172.8 | 63.6 | 0 | 0 | 0 | 112.3 | L1383 M1391 L1462 L1465 F1586 C1945 A1949 I1950 E1951 I2093 | L1383-L1947 HydrophobicContact CD1-CD2 4.31Å; M1391-L1947 HydrophobicContact SD-CD1 4.47Å; M1391-L1947 HydrophobicContact SD-CD2 3.68Å; M1391-L1947 HydrophobicContact SD-CG 4.23Å; L1462-L1947 HydrophobicContact CD1-CD1 4.11Å; L1462-L1947 HydrophobicContact CD2-CD1 4.11Å; L1465-L1947 HydrophobicContact CD1-CD1 4.37Å; L1465-L1947 HydrophobicContact CD1-CD2 4.17Å; F1586-L1947 HydrophobicContact CE1-CD1 4.3Å; F1586-L1947 HydrophobicContact CZ-CD1 4.36Å; C1945-L1947 VanDerWaalsContact C-N 3.29Å; C1945-L1947 PolarHBondContact O-N 3.14Å; L1947-A1949 VanDerWaalsContact C-N 3.32Å; L1947-A1949 PolarHBondContact O-N 2.69Å; L1947-I1950 PolarHBondContact O-N 3Å; L1947-E1951 PolarHBondContact O-N 3.29Å; L1947-E1951 VanDerWaalsContact O-N 3.11Å; L1947-I2093 HydrophobicContact CB-CD1 4.43Å |
| 1948 | L | 89.6 | Confident | 86.1 | Confident | 32.4 Ų | 32.4 | 31.6 Ų | 31.6 | 17% | 0.17 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | 175.2 | -68.3 | 172.4 | 0 | 0 | 0 | 111.8 | Q1379 E1382 L1383 H1940 C1945 P1946 I1950 E1951 V1952 | Q1379-L1948 HydrophobicContact CG-CD1 4.42Å; E1382-L1948 HydrophobicContact CB-CD1 3.49Å; E1382-L1948 VanDerWaalsContact CB-CD1 3.47Å; E1382-L1948 HydrophobicContact CB-CD2 3.96Å; E1382-L1948 HydrophobicContact CB-CG 4.4Å; E1382-L1948 HydrophobicContact CG-CD1 4.23Å; L1383-L1948 HydrophobicContact CD2-CD2 3.6Å; L1383-L1948 HydrophobicContact CG-CD2 3.78Å; H1940-L1948 HydrophobicContact CB-CB 4.08Å; H1940-L1948 WeakPolarHBondContact ND1-CD1 3.38Å; C1945-L1948 HydrophobicContact CB-CB 4.4Å; C1945-L1948 HydrophobicContact CB-CD1 3.84Å; C1945-L1948 HydrophobicContact CB-CG 4.35Å; C1945-L1948 PolarHBondContact O-N 3.11Å; P1946-L1948 VanDerWaalsContact C-N 3.27Å; P1946-L1948 PolarHBondContact O-N 3.16Å; L1948-I1950 VanDerWaalsContact C-N 3.33Å; L1948-I1950 PolarHBondContact O-N 3.09Å; L1948-E1951 WeakPolarHBondContact O-CB 3.38Å; L1948-E1951 PolarHBondContact O-N 3.22Å; L1948-V1952 VanDerWaalsContact O-CG2 3.31Å; L1948-V1952 WeakPolarHBondContact O-CG2 3.36Å; L1948-V1952 PolarHBondContact O-N 3.04Å |
| 1949 | A | 90.8 | Very high | 84.7 | Confident | 0.4 Ų | 0.4 | 32.7 Ų | 32.7 | 0% | 0.003 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1937 H1940 L1941 C1945 P1946 L1947 E1951 V1952 L1953 | A1937-A1949 HydrophobicContact CB-CB 4.38Å; A1937-A1949 WeakPolarHBondContact O-CB 3.39Å; H1940-A1949 HydrophobicContact CB-CB 4.14Å; L1941-A1949 HydrophobicContact CB-CB 4.21Å; L1941-A1949 HydrophobicContact CD1-CB 4.34Å; L1941-A1949 HydrophobicContact CD2-CB 4.33Å; L1941-A1949 HydrophobicContact CG-CB 3.77Å; C1945-A1949 PolarHBondContact O-N 3.06Å; P1946-A1949 WeakPolarHBondContact O-CA 3.42Å; P1946-A1949 WeakPolarHBondContact O-CB 3.41Å; P1946-A1949 PolarHBondContact O-N 3.3Å; P1946-A1949 VanDerWaalsContact O-N 3.11Å; L1947-A1949 VanDerWaalsContact C-N 3.32Å; L1947-A1949 PolarHBondContact O-N 2.69Å; A1949-E1951 VanDerWaalsContact C-N 3.32Å; A1949-E1951 PolarHBondContact O-N 2.96Å; A1949-V1952 PolarHBondContact O-N 3.18Å; A1949-L1953 WeakPolarHBondContact O-CB 3.32Å; A1949-L1953 WeakPolarHBondContact O-CD1 3.28Å; A1949-L1953 VanDerWaalsContact O-CG 3.24Å; A1949-L1953 WeakPolarHBondContact O-CG 3.33Å; A1949-L1953 PolarHBondContact O-N 3.13Å |
| 1950 | I | 89.1 | Confident | 83.1 | Confident | 4.4 Ų | 4.4 | 34.3 Ų | 34.3 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 174.3 | -63 | 169.4 | 0 | 0 | 0 | 110.7 | F1586 P1946 L1947 L1948 V1952 L1953 S1954 S2089 I2093 L2130 | F1586-I1950 HydrophobicContact CE2-CG2 3.95Å; F1586-I1950 HydrophobicContact CZ-CB 4.17Å; F1586-I1950 HydrophobicContact CZ-CG2 3.76Å; P1946-I1950 WeakPolarHBondContact O-CG1 3.27Å; P1946-I1950 PolarHBondContact O-N 3.25Å; L1947-I1950 PolarHBondContact O-N 3Å; L1948-I1950 VanDerWaalsContact C-N 3.33Å; L1948-I1950 PolarHBondContact O-N 3.09Å; I1950-V1952 VanDerWaalsContact C-N 3.33Å; I1950-V1952 PolarHBondContact O-N 3.1Å; I1950-L1953 CarbonylContact O-C 3.41Å; I1950-L1953 PolarHBondContact O-N 3.14Å; I1950-S1954 VanDerWaalsContact O-CB 3.29Å; I1950-S1954 WeakPolarHBondContact O-CB 3.42Å; I1950-S1954 PolarHBondContact O-N 3.15Å; I1950-S1954 PolarHBondContact O-OG 3.06Å; I1950-S2089 VanDerWaalsContact CG1-CB 3.45Å; I1950-I2093 HydrophobicContact CD1-CD1 3.8Å; I1950-L2130 HydrophobicContact CG2-CD1 4.49Å; I1950-L2130 HydrophobicContact CG2-CD2 3.99Å |
| 1951 | E | 87.2 | Confident | 81.1 | Confident | 34.4 Ų | 34.4 | 36 Ų | 36 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 177 | -172.8 | 158.7 | 164.7 | 0 | 0 | 112.5 | A1386 K1388 F1586 L1947 L1948 A1949 L1953 S1954 K1955 | A1386-E1951 VanDerWaalsContact CB-CD 3.48Å; A1386-E1951 HydrophobicContact CB-CG 4.48Å; A1386-E1951 WeakPolarHBondContact CB-OE1 3.33Å; A1386-E1951 WeakPolarHBondContact CB-OE2 3.09Å; K1388-E1951 VanDerWaalsContact CE-CD 3.41Å; K1388-E1951 WeakPolarHBondContact CE-OE1 3.2Å; K1388-E1951 WeakPolarHBondContact CE-OE2 3.49Å; K1388-E1951 IonicContact NZ-OE1 3.99Å; F1586-E1951 WeakPolarHBondContact CD2-OE2 3.42Å; F1586-E1951 HydrophobicContact CE2-CB 4.3Å; F1586-E1951 VanDerWaalsContact CE2-OE2 3.28Å; F1586-E1951 WeakPolarHBondContact CE2-OE2 3.45Å; L1947-E1951 PolarHBondContact O-N 3.29Å; L1947-E1951 VanDerWaalsContact O-N 3.11Å; L1948-E1951 WeakPolarHBondContact O-CB 3.38Å; L1948-E1951 PolarHBondContact O-N 3.22Å; A1949-E1951 VanDerWaalsContact C-N 3.32Å; A1949-E1951 PolarHBondContact O-N 2.96Å; E1951-L1953 VanDerWaalsContact C-N 3.3Å; E1951-L1953 PolarHBondContact O-N 3.48Å; E1951-S1954 WeakPolarHBondContact CA-OG 3.36Å; E1951-S1954 PolarHBondContact O-N 3.07Å; E1951-S1954 PolarHBondContact O-OG 3.11Å; E1951-K1955 WeakPolarHBondContact O-CG 3.4Å; E1951-K1955 PolarHBondContact O-N 3.01Å; E1951-K1955 WeakPolarHBondContact OE1-CE 3.39Å; E1951-K1955 IonicContact OE1-NZ 3.4Å; E1951-K1955 PolarHBondContact OE1-NZ 3.17Å |
| 1952 | V | 89.5 | Confident | 79.1 | Confident | 5.2 Ų | 5.2 | 39.7 Ų | 39.7 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | F1884 F1933 T1936 A1937 L1948 A1949 I1950 S1954 K1955 | F1884-V1952 HydrophobicContact CD1-CG1 4.5Å; F1884-V1952 HydrophobicContact CD1-CG2 4.09Å; F1884-V1952 HydrophobicContact CD2-CG1 4.46Å; F1884-V1952 HydrophobicContact CE1-CB 4.21Å; F1884-V1952 HydrophobicContact CE1-CG1 4Å; F1884-V1952 HydrophobicContact CE1-CG2 3.74Å; F1884-V1952 HydrophobicContact CE2-CG1 3.92Å; F1884-V1952 HydrophobicContact CZ-CB 4.23Å; F1884-V1952 HydrophobicContact CZ-CG1 3.65Å; F1884-V1952 HydrophobicContact CZ-CG2 4.25Å; F1933-V1952 HydrophobicContact CD1-CG1 4.37Å; F1933-V1952 WeakPolarHBondContact CD1-O 3.22Å; F1933-V1952 VanDerWaalsContact O-CG1 3.25Å; F1933-V1952 WeakPolarHBondContact O-CG1 3.39Å; T1936-V1952 HydrophobicContact CG2-CG1 4.43Å; T1936-V1952 HydrophobicContact CG2-CG2 4.08Å; A1937-V1952 HydrophobicContact CB-CB 4.34Å; A1937-V1952 HydrophobicContact CB-CG1 4Å; L1948-V1952 VanDerWaalsContact O-CG2 3.31Å; L1948-V1952 WeakPolarHBondContact O-CG2 3.36Å; L1948-V1952 PolarHBondContact O-N 3.04Å; A1949-V1952 PolarHBondContact O-N 3.18Å; I1950-V1952 VanDerWaalsContact C-N 3.33Å; I1950-V1952 PolarHBondContact O-N 3.1Å; V1952-S1954 VanDerWaalsContact C-N 3.3Å; V1952-S1954 PolarHBondContact O-N 2.95Å; V1952-K1955 WeakPolarHBondContact O-CB 3.41Å; V1952-K1955 PolarHBondContact O-N 3.03Å; V1952-K1955 VanDerWaalsContact O-N 3.13Å |
| 1953 | L | 88.8 | Confident | 77.3 | Confident | 0.6 Ų | 0.6 | 40.4 Ų | 40.4 | 0% | 0.003 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.1 | -23.1 | -178.1 | -65.3 | 169.3 | 0 | 0 | 0 | 113 | F1934 A1937 A1949 I1950 E1951 K1955 L1956 A2082 L2085 K2086 | F1934-L1953 HydrophobicContact CD1-CD2 4.05Å; F1934-L1953 HydrophobicContact CE1-CD2 4.04Å; F1934-L1953 HydrophobicContact CZ-CD2 4.45Å; A1937-L1953 HydrophobicContact CB-CD1 4.11Å; A1937-L1953 HydrophobicContact CB-CD2 3.8Å; A1937-L1953 HydrophobicContact CB-CG 3.74Å; A1949-L1953 WeakPolarHBondContact O-CB 3.32Å; A1949-L1953 WeakPolarHBondContact O-CD1 3.28Å; A1949-L1953 VanDerWaalsContact O-CG 3.24Å; A1949-L1953 WeakPolarHBondContact O-CG 3.33Å; A1949-L1953 PolarHBondContact O-N 3.13Å; I1950-L1953 CarbonylContact O-C 3.41Å; I1950-L1953 PolarHBondContact O-N 3.14Å; E1951-L1953 VanDerWaalsContact C-N 3.3Å; E1951-L1953 PolarHBondContact O-N 3.48Å; L1953-K1955 VanDerWaalsContact C-N 3.29Å; L1953-L1956 HydrophobicContact CD2-CD1 3.99Å; L1953-L1956 WeakPolarHBondContact O-CB 3.18Å; L1953-L1956 PolarHBondContact O-N 3.17Å; L1953-A2082 HydrophobicContact CD2-CB 4.39Å; L1953-L2085 HydrophobicContact CD1-CB 3.55Å; L1953-L2085 HydrophobicContact CD1-CD1 4.49Å; L1953-L2085 HydrophobicContact CD2-CB 4.48Å; L1953-L2085 HydrophobicContact CD2-CD1 4.4Å; L1953-K2086 VanDerWaalsContact C-CE 3.48Å; L1953-K2086 HydrophobicContact CB-CD 4.37Å; L1953-K2086 HydrophobicContact CB-CG 3.82Å; L1953-K2086 HydrophobicContact CD1-CG 3.82Å; L1953-K2086 HydrophobicContact CG-CG 4.44Å; L1953-K2086 VanDerWaalsContact O-CE 3.25Å; L1953-K2086 WeakPolarHBondContact O-CE 3.43Å |
| 1954 | S | 84.5 | Confident | 75.4 | Confident | 31.6 Ų | 31.6 | 42.1 Ų | 42.1 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.7 | -23 | 174.1 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | I1950 E1951 V1952 L1956 | I1950-S1954 VanDerWaalsContact O-CB 3.29Å; I1950-S1954 WeakPolarHBondContact O-CB 3.42Å; I1950-S1954 PolarHBondContact O-N 3.15Å; I1950-S1954 PolarHBondContact O-OG 3.06Å; E1951-S1954 WeakPolarHBondContact CA-OG 3.36Å; E1951-S1954 PolarHBondContact O-N 3.07Å; E1951-S1954 PolarHBondContact O-OG 3.11Å; V1952-S1954 VanDerWaalsContact C-N 3.3Å; V1952-S1954 PolarHBondContact O-N 2.95Å; S1954-L1956 VanDerWaalsContact C-N 3.3Å; S1954-L1956 PolarHBondContact O-N 3.42Å |
| 1955 | K | 83.2 | Confident | 73.2 | Confident | 51.8 Ų | 51.8 | 49.1 Ų | 49.1 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.1 | 174.4 | -69.4 | 173.2 | -176.8 | 167 | 0 | 113.7 | F1884 V1888 F1933 E1951 V1952 L1953 P1957 | F1884-K1955 HydrophobicContact CE1-CD 4.2Å; F1884-K1955 HydrophobicContact CZ-CB 4.45Å; F1884-K1955 HydrophobicContact CZ-CD 4.2Å; V1888-K1955 HydrophobicContact CG1-CD 4.46Å; F1933-K1955 HydrophobicContact CE1-CB 3.96Å; E1951-K1955 WeakPolarHBondContact O-CG 3.4Å; E1951-K1955 PolarHBondContact O-N 3.01Å; E1951-K1955 WeakPolarHBondContact OE1-CE 3.39Å; E1951-K1955 IonicContact OE1-NZ 3.4Å; E1951-K1955 PolarHBondContact OE1-NZ 3.17Å; V1952-K1955 WeakPolarHBondContact O-CB 3.41Å; V1952-K1955 PolarHBondContact O-N 3.03Å; V1952-K1955 VanDerWaalsContact O-N 3.13Å; L1953-K1955 VanDerWaalsContact C-N 3.29Å; K1955-P1957 VanDerWaalsContact O-CD 3.3Å; K1955-P1957 WeakPolarHBondContact O-CD 3.34Å |
| 1956 | L | 82.9 | Confident | 70.9 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -71.7 | 119.1 | 172.5 | -89.6 | 153.9 | 0 | 0 | 0 | 109.5 | M1580 I1925 R1930 F1933 F1934 L1953 S1954 R1958 D2079 A2082 | M1580-L1956 WeakPolarHBondContact CE-O 3.36Å; I1925-L1956 HydrophobicContact CD1-CD1 3.48Å; I1925-L1956 VanDerWaalsContact CD1-CD1 3.48Å; I1925-L1956 HydrophobicContact CD1-CD2 3.7Å; I1925-L1956 HydrophobicContact CD1-CG 3.91Å; R1930-L1956 HydrophobicContact CG-CD1 4.38Å; F1933-L1956 HydrophobicContact CB-CD1 4.27Å; F1933-L1956 HydrophobicContact CB-CD2 3.87Å; F1933-L1956 HydrophobicContact CB-CG 4.39Å; F1933-L1956 HydrophobicContact CD1-CB 4.36Å; F1933-L1956 HydrophobicContact CD1-CD1 4.29Å; F1933-L1956 HydrophobicContact CD1-CD2 3.48Å; F1933-L1956 VanDerWaalsContact CD1-CD2 3.46Å; F1933-L1956 HydrophobicContact CD1-CG 3.66Å; F1933-L1956 HydrophobicContact CD2-CD1 4.27Å; F1933-L1956 HydrophobicContact CD2-CD2 4.24Å; F1933-L1956 HydrophobicContact CE1-CD1 4.4Å; F1933-L1956 HydrophobicContact CE1-CD2 4.02Å; F1933-L1956 HydrophobicContact CE1-CG 4.23Å; F1933-L1956 HydrophobicContact CE2-CD2 4.49Å; F1933-L1956 HydrophobicContact CG-CD1 3.84Å; F1933-L1956 HydrophobicContact CG-CD2 3.6Å; F1933-L1956 HydrophobicContact CG-CG 4.21Å; F1933-L1956 HydrophobicContact CZ-CD2 4.44Å; F1934-L1956 HydrophobicContact CE1-CD1 4.16Å; F1934-L1956 HydrophobicContact CE1-CD2 4.5Å; F1934-L1956 HydrophobicContact CE2-CD1 3.86Å; F1934-L1956 HydrophobicContact CE2-CD2 4.45Å; F1934-L1956 HydrophobicContact CZ-CD1 4.1Å; F1934-L1956 HydrophobicContact CZ-CD2 4.36Å; L1953-L1956 HydrophobicContact CD2-CD1 3.99Å; L1953-L1956 WeakPolarHBondContact O-CB 3.18Å; L1953-L1956 PolarHBondContact O-N 3.17Å; S1954-L1956 VanDerWaalsContact C-N 3.3Å; S1954-L1956 PolarHBondContact O-N 3.42Å; L1956-R1958 PolarHBondContact O-N 2.91Å; L1956-D2079 HydrophobicContact CD2-CB 4.45Å; L1956-A2082 HydrophobicContact CD1-CB 3.82Å; L1956-A2082 HydrophobicContact CD2-CB 3.98Å |
| 1957 | P | 73.7 | Confident | 68.4 | Low | 27 Ų | 27 | 56.2 Ų | 56.2 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 137.3 | 172.8 | 2.1 | -10.9 | 0 | 0 | 0 | 112.1 | M1580 R1923 I1925 K1955 | M1580-P1957 HydrophobicContact CE-CB 4.08Å; M1580-P1957 HydrophobicContact CE-CG 4.25Å; R1923-P1957 HydrophobicContact CB-CB 4.4Å; R1923-P1957 HydrophobicContact CG-CB 4.47Å; R1923-P1957 VanDerWaalsContact O-CB 3.27Å; R1923-P1957 WeakPolarHBondContact O-CB 3.41Å; R1923-P1957 WeakPolarHBondContact O-CG 3.33Å; I1925-P1957 HydrophobicContact CD1-CB 3.98Å; I1925-P1957 HydrophobicContact CD1-CG 3.53Å; I1925-P1957 VanDerWaalsContact CD1-CG 3.48Å; I1925-P1957 HydrophobicContact CG1-CB 4.34Å; I1925-P1957 HydrophobicContact CG1-CG 3.58Å; K1955-P1957 VanDerWaalsContact O-CD 3.3Å; K1955-P1957 WeakPolarHBondContact O-CD 3.34Å |
| 1958 | R | 65.8 | Low | 66 | Low | 131.2 Ų | 131.2 | 56.3 Ų | 56.3 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 139.1 | 169.2 | -69.7 | 179.6 | 174.1 | 154.3 | -4.5 | 109.2 | L1956 D2132 | L1956-R1958 PolarHBondContact O-N 2.91Å; R1958-D2132 IonicContact CZ-OD1 3.22Å; R1958-D2132 IonicContact CZ-OD2 3.77Å; R1958-D2132 IonicContact NE-OD1 2.84Å; R1958-D2132 IonicContact NE-OD2 3.01Å; R1958-D2132 PolarHBondContact NE-OD2 2.87Å; R1958-D2132 IonicContact NH2-OD1 3.46Å; R1958-D2132 PolarHBondContact NH2-OD1 3.02Å; R1958-D2132 IonicContact NH2-OD2 3.21Å; R1958-D2132 PolarHBondContact NH2-OD2 3.13Å |
| 1959 | P | 59 | Low | 63.8 | Low | 46.6 Ų | 46.6 | 58.6 Ų | 58.6 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 147.1 | 173.3 | -7 | 12.8 | 0 | 0 | 0 | 110.8 | Q2077 | P1959-Q2077 HydrophobicContact CB-CB 4.16Å; P1959-Q2077 WeakPolarHBondContact CB-O 3.18Å; P1959-Q2077 WeakPolarHBondContact CD-O 3.41Å; P1959-Q2077 HydrophobicContact CG-CB 4.09Å; P1959-Q2077 WeakPolarHBondContact CG-O 3.39Å |
| 1960 | P | 53.6 | Low | 61.4 | Low | 65 Ų | 65 | 63.4 Ų | 63.4 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 141.4 | -179.6 | 25.6 | -32.9 | 0 | 0 | 0 | 110.7 | D1964 Y1965 | P1960-D1964 HydrophobicContact CB-CB 4.36Å; P1960-Y1965 HydrophobicContact CG-CD2 4.23Å |
| 1961 | P | 46.9 | Very low | 59.2 | Low | 51.8 Ų | 51.8 | 66.7 Ų | 66.7 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 152.3 | 167.5 | 26.4 | -32.1 | 0 | 0 | 0 | 109.7 | S1963 D1964 Y1965 | P1961-S1963 PolarHBondContact O-N 3.22Å; P1961-D1964 HydrophobicContact CG-CB 3.99Å; P1961-D1964 CarbonylContact O-C 3.58Å; P1961-D1964 PolarHBondContact O-N 3.13Å; P1961-Y1965 PolarHBondContact O-N 3.19Å |
| 1962 | P | 47.8 | Very low | 57 | Low | 95.8 Ų | 95.8 | 71.2 Ų | 71.2 | 62% | 0.622 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -58.9 | -22.3 | 180 | 21.6 | -31.8 | 0 | 0 | 0 | 113.3 | D1964 Y1965 | P1962-D1964 VanDerWaalsContact C-N 3.3Å; P1962-D1964 PolarHBondContact O-N 3.28Å; P1962-Y1965 WeakPolarHBondContact O-CB 3.3Å; P1962-Y1965 PolarHBondContact O-N 3.19Å |
| 1963 | S | 48.8 | Very low | 54.8 | Low | 102.8 Ų | 102.8 | 75.2 Ų | 75.2 | 72% | 0.719 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -70.1 | -26.8 | 174.4 | 102.1 | 0 | 0 | 0 | 0 | 114.1 | P1961 Y1965 | P1961-S1963 PolarHBondContact O-N 3.22Å; S1963-Y1965 VanDerWaalsContact C-N 3.32Å; S1963-Y1965 PolarHBondContact O-N 3.45Å |
| 1964 | D | 44.4 | Very low | 52.5 | Low | 88.6 Ų | 88.6 | 77.2 Ų | 77.2 | 47% | 0.474 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -94.5 | 8.1 | -178.6 | -79.5 | 0.3 | 0 | 0 | 0 | 112.5 | R1923 P1960 P1961 P1962 V1966 | R1923-D1964 IonicContact NH1-OD2 3.79Å; P1960-D1964 HydrophobicContact CB-CB 4.36Å; P1961-D1964 HydrophobicContact CG-CB 3.99Å; P1961-D1964 CarbonylContact O-C 3.58Å; P1961-D1964 PolarHBondContact O-N 3.13Å; P1962-D1964 VanDerWaalsContact C-N 3.3Å; P1962-D1964 PolarHBondContact O-N 3.28Å; D1964-V1966 PolarHBondContact O-N 3.07Å |
| 1965 | Y | 41.1 | Very low | 50.5 | Low | 168 Ų | 168 | 78.9 Ų | 78.9 | 66% | 0.659 | 44% | 0.44 | S | S | * | . | trans | -66.1 | 85.3 | 164 | -122.5 | -89.6 | 0 | 0 | 0 | 108.1 | P1960 P1961 P1962 S1963 P1967 L1971 | P1960-Y1965 HydrophobicContact CG-CD2 4.23Å; P1961-Y1965 PolarHBondContact O-N 3.19Å; P1962-Y1965 WeakPolarHBondContact O-CB 3.3Å; P1962-Y1965 PolarHBondContact O-N 3.19Å; S1963-Y1965 VanDerWaalsContact C-N 3.32Å; S1963-Y1965 PolarHBondContact O-N 3.45Å; Y1965-P1967 VanDerWaalsContact C-N 3.33Å; Y1965-P1967 VanDerWaalsContact O-CD 3.26Å; Y1965-P1967 WeakPolarHBondContact O-CD 3.33Å; Y1965-P1967 VanDerWaalsContact O-N 3.09Å; Y1965-L1971 HydrophobicContact CE1-CD1 4.14Å | ||
| 1966 | V | 40.8 | Very low | 48.3 | Very low | 91.2 Ų | 91.2 | 78.2 Ų | 78.2 | 55% | 0.553 | 44% | 0.444 | S | S | * | . | trans | -60.1 | 119.8 | 163.2 | -175.6 | 0 | 0 | 0 | 0 | 104.9 | D1964 G1968 F1970 L1971 | D1964-V1966 PolarHBondContact O-N 3.07Å; V1966-G1968 PolarHBondContact O-N 2.93Å; V1966-F1970 HydrophobicContact CB-CB 4.36Å; V1966-F1970 HydrophobicContact CG1-CB 3.59Å; V1966-F1970 HydrophobicContact CG1-CD2 4.25Å; V1966-F1970 HydrophobicContact CG1-CG 4.26Å; V1966-L1971 HydrophobicContact CB-CD1 3.8Å; V1966-L1971 HydrophobicContact CG1-CD1 4.48Å | ||
| 1967 | P | 38.2 | Very low | 46.1 | Very low | 88.2 Ų | 88.2 | 81 Ų | 81 | 57% | 0.573 | 46% | 0.457 | S | S | * | . | trans | -55.1 | 149.1 | -172.8 | 3.7 | -6.5 | 0 | 0 | 0 | 110 | Y1965 P1969 F1970 | Y1965-P1967 VanDerWaalsContact C-N 3.33Å; Y1965-P1967 VanDerWaalsContact O-CD 3.26Å; Y1965-P1967 WeakPolarHBondContact O-CD 3.33Å; Y1965-P1967 VanDerWaalsContact O-N 3.09Å; P1967-P1969 VanDerWaalsContact C-CD 3.45Å; P1967-P1969 HydrophobicContact CB-CG 4.16Å; P1967-P1969 HydrophobicContact CG-CG 4.07Å; P1967-P1969 WeakPolarHBondContact O-CA 3.21Å; P1967-P1969 VanDerWaalsContact O-CD 3.23Å; P1967-P1969 WeakPolarHBondContact O-CD 3.44Å; P1967-P1969 WeakPolarHBondContact O-CG 3.35Å; P1967-P1969 VanDerWaalsContact O-N 3.09Å; P1967-F1970 PolarHBondContact O-N 3.11Å; P1967-F1970 VanDerWaalsContact O-N 3.08Å | ||
| 1968 | G | 40.7 | Very low | 44.2 | Very low | 44.2 Ų | 44.2 | 82.6 Ų | 82.6 | 46% | 0.456 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -23.9 | -39.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | V1966 F1970 L1971 E1972 | V1966-G1968 PolarHBondContact O-N 2.93Å; G1968-F1970 VanDerWaalsContact C-N 3.31Å; G1968-F1970 PolarHBondContact O-N 3.25Å; G1968-L1971 CarbonylContact O-C 3.53Å; G1968-L1971 PolarHBondContact O-N 3.22Å; G1968-L1971 VanDerWaalsContact O-N 3.13Å; G1968-E1972 VanDerWaalsContact O-CB 3.28Å; G1968-E1972 WeakPolarHBondContact O-CB 3.35Å; G1968-E1972 WeakPolarHBondContact O-CG 3.37Å; G1968-E1972 PolarHBondContact O-N 3.35Å |
| 1969 | P | 41.9 | Very low | 42.6 | Very low | 79.8 Ų | 79.8 | 79.9 Ų | 79.9 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -20.3 | -177.8 | -17.9 | 23.2 | 0 | 0 | 0 | 116.9 | P1967 L1971 E1972 L1973 | P1967-P1969 VanDerWaalsContact C-CD 3.45Å; P1967-P1969 HydrophobicContact CB-CG 4.16Å; P1967-P1969 HydrophobicContact CG-CG 4.07Å; P1967-P1969 WeakPolarHBondContact O-CA 3.21Å; P1967-P1969 VanDerWaalsContact O-CD 3.23Å; P1967-P1969 WeakPolarHBondContact O-CD 3.44Å; P1967-P1969 WeakPolarHBondContact O-CG 3.35Å; P1967-P1969 VanDerWaalsContact O-N 3.09Å; P1969-L1971 VanDerWaalsContact C-N 3.31Å; P1969-L1971 PolarHBondContact O-N 3.19Å; P1969-E1972 PolarHBondContact O-N 3.19Å; P1969-L1973 WeakPolarHBondContact O-CA 3.27Å; P1969-L1973 WeakPolarHBondContact O-CB 3.31Å; P1969-L1973 VanDerWaalsContact O-CD1 3.24Å; P1969-L1973 WeakPolarHBondContact O-CD1 3.28Å; P1969-L1973 PolarHBondContact O-N 3.16Å |
| 1970 | F | 41.1 | Very low | 41.3 | Very low | 101.6 Ų | 101.6 | 84.6 Ų | 84.6 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.4 | -36.1 | 177.4 | -154.1 | -93.5 | 0 | 0 | 0 | 112.7 | I1906 I1917 V1966 P1967 G1968 E1972 L1973 L1974 | I1906-F1970 HydrophobicContact CG2-CZ 3.79Å; I1917-F1970 HydrophobicContact CD1-CE1 3.71Å; I1917-F1970 VanDerWaalsContact CD1-CE1 3.44Å; I1917-F1970 HydrophobicContact CD1-CZ 3.91Å; I1917-F1970 HydrophobicContact CG1-CD1 4.42Å; I1917-F1970 HydrophobicContact CG1-CE1 3.94Å; I1917-F1970 HydrophobicContact CG1-CZ 4Å; V1966-F1970 HydrophobicContact CB-CB 4.36Å; V1966-F1970 HydrophobicContact CG1-CB 3.59Å; V1966-F1970 HydrophobicContact CG1-CD2 4.25Å; V1966-F1970 HydrophobicContact CG1-CG 4.26Å; P1967-F1970 PolarHBondContact O-N 3.11Å; P1967-F1970 VanDerWaalsContact O-N 3.08Å; G1968-F1970 VanDerWaalsContact C-N 3.31Å; G1968-F1970 PolarHBondContact O-N 3.25Å; F1970-E1972 VanDerWaalsContact C-N 3.33Å; F1970-L1973 VanDerWaalsContact O-CB 3.28Å; F1970-L1973 WeakPolarHBondContact O-CB 3.44Å; F1970-L1973 PolarHBondContact O-N 2.89Å; F1970-L1974 HydrophobicContact CD1-CD1 4.02Å; F1970-L1974 HydrophobicContact CE1-CD1 3.7Å; F1970-L1974 HydrophobicContact CE1-CG 4.31Å; F1970-L1974 HydrophobicContact CZ-CD1 4.03Å; F1970-L1974 HydrophobicContact CZ-CG 4.41Å; F1970-L1974 VanDerWaalsContact O-CG 3.31Å; F1970-L1974 WeakPolarHBondContact O-CG 3.34Å; F1970-L1974 PolarHBondContact O-N 3.39Å; F1970-L1974 VanDerWaalsContact O-N 3.11Å |
| 1971 | L | 43 | Very low | 40.2 | Very low | 74 Ų | 74 | 89.5 Ų | 89.5 | 39% | 0.387 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.3 | -35.6 | 173.3 | -92.7 | 169.9 | 0 | 0 | 0 | 111.5 | I1906 Y1965 V1966 G1968 P1969 L1973 L1974 S1975 | I1906-L1971 HydrophobicContact CD1-CD2 3.39Å; I1906-L1971 VanDerWaalsContact CD1-CD2 3.46Å; Y1965-L1971 HydrophobicContact CE1-CD1 4.14Å; V1966-L1971 HydrophobicContact CB-CD1 3.8Å; V1966-L1971 HydrophobicContact CG1-CD1 4.48Å; G1968-L1971 CarbonylContact O-C 3.53Å; G1968-L1971 PolarHBondContact O-N 3.22Å; G1968-L1971 VanDerWaalsContact O-N 3.13Å; P1969-L1971 VanDerWaalsContact C-N 3.31Å; P1969-L1971 PolarHBondContact O-N 3.19Å; L1971-L1973 VanDerWaalsContact C-N 3.31Å; L1971-L1973 PolarHBondContact O-N 2.83Å; L1971-L1974 HydrophobicContact CD2-CD1 3.99Å; L1971-L1974 HydrophobicContact CG-CD1 4.25Å; L1971-L1974 WeakPolarHBondContact O-CA 3.23Å; L1971-L1974 VanDerWaalsContact O-CB 3.27Å; L1971-L1974 WeakPolarHBondContact O-CB 3.35Å; L1971-L1974 PolarHBondContact O-N 2.89Å; L1971-L1974 VanDerWaalsContact O-N 3.12Å; L1971-S1975 WeakPolarHBondContact O-CB 3.49Å; L1971-S1975 PolarHBondContact O-N 3.24Å; L1971-S1975 PolarHBondContact O-OG 3.31Å |
| 1972 | E | 41.9 | Very low | 39.4 | Very low | 129.6 Ų | 129.6 | 92.1 Ų | 92.1 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -33.7 | 171.3 | -74.6 | -174.5 | 157.5 | 0 | 0 | 111.8 | G1968 P1969 F1970 L1974 S1975 A1976 | G1968-E1972 VanDerWaalsContact O-CB 3.28Å; G1968-E1972 WeakPolarHBondContact O-CB 3.35Å; G1968-E1972 WeakPolarHBondContact O-CG 3.37Å; G1968-E1972 PolarHBondContact O-N 3.35Å; P1969-E1972 PolarHBondContact O-N 3.19Å; F1970-E1972 VanDerWaalsContact C-N 3.33Å; E1972-L1974 VanDerWaalsContact C-N 3.3Å; E1972-L1974 PolarHBondContact O-N 3.13Å; E1972-S1975 VanDerWaalsContact CA-OG 3.32Å; E1972-S1975 WeakPolarHBondContact CA-OG 3.31Å; E1972-S1975 CarbonylContact O-C 3.54Å; E1972-S1975 PolarHBondContact O-N 3.27Å; E1972-S1975 VanDerWaalsContact O-N 3.16Å; E1972-S1975 PolarHBondContact O-OG 3.23Å; E1972-A1976 WeakPolarHBondContact O-CA 3.32Å; E1972-A1976 VanDerWaalsContact O-CB 3.28Å; E1972-A1976 WeakPolarHBondContact O-CB 3.37Å; E1972-A1976 PolarHBondContact O-N 3.08Å |
| 1973 | L | 42.4 | Very low | 38.5 | Very low | 87.8 Ų | 87.8 | 92.7 Ų | 92.7 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 173.4 | -133.9 | 90.4 | 0 | 0 | 0 | 110.6 | P1969 F1970 L1971 S1975 A1976 E1977 | P1969-L1973 WeakPolarHBondContact O-CA 3.27Å; P1969-L1973 WeakPolarHBondContact O-CB 3.31Å; P1969-L1973 VanDerWaalsContact O-CD1 3.24Å; P1969-L1973 WeakPolarHBondContact O-CD1 3.28Å; P1969-L1973 PolarHBondContact O-N 3.16Å; F1970-L1973 VanDerWaalsContact O-CB 3.28Å; F1970-L1973 WeakPolarHBondContact O-CB 3.44Å; F1970-L1973 PolarHBondContact O-N 2.89Å; L1971-L1973 VanDerWaalsContact C-N 3.31Å; L1971-L1973 PolarHBondContact O-N 2.83Å; L1973-S1975 VanDerWaalsContact C-N 3.35Å; L1973-S1975 PolarHBondContact O-N 3.3Å; L1973-A1976 CarbonylContact O-C 3.56Å; L1973-A1976 PolarHBondContact O-N 3.44Å; L1973-E1977 WeakPolarHBondContact CD1-OE2 3.43Å; L1973-E1977 VanDerWaalsContact CG-OE2 3.3Å; L1973-E1977 WeakPolarHBondContact CG-OE2 3.37Å; L1973-E1977 VanDerWaalsContact O-CB 3.27Å; L1973-E1977 WeakPolarHBondContact O-CB 3.37Å; L1973-E1977 WeakPolarHBondContact O-CG 3.3Å; L1973-E1977 PolarHBondContact O-N 3.19Å |
| 1974 | L | 41 | Very low | 37.4 | Very low | 43.8 Ų | 43.8 | 92.3 Ų | 92.3 | 23% | 0.229 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 174.9 | -69.8 | 175.3 | 0 | 0 | 0 | 112.3 | I1906 I1917 F1970 L1971 E1972 A1976 E1977 A1978 | I1906-L1974 HydrophobicContact CD1-CD1 4.09Å; I1906-L1974 HydrophobicContact CD1-CD2 3.48Å; I1906-L1974 HydrophobicContact CD1-CG 3.68Å; I1906-L1974 HydrophobicContact CG1-CD2 3.83Å; I1906-L1974 HydrophobicContact CG2-CD2 4.5Å; I1917-L1974 HydrophobicContact CD1-CD1 4.03Å; I1917-L1974 HydrophobicContact CG1-CD1 4Å; F1970-L1974 HydrophobicContact CD1-CD1 4.02Å; F1970-L1974 HydrophobicContact CE1-CD1 3.7Å; F1970-L1974 HydrophobicContact CE1-CG 4.31Å; F1970-L1974 HydrophobicContact CZ-CD1 4.03Å; F1970-L1974 HydrophobicContact CZ-CG 4.41Å; F1970-L1974 VanDerWaalsContact O-CG 3.31Å; F1970-L1974 WeakPolarHBondContact O-CG 3.34Å; F1970-L1974 PolarHBondContact O-N 3.39Å; F1970-L1974 VanDerWaalsContact O-N 3.11Å; L1971-L1974 HydrophobicContact CD2-CD1 3.99Å; L1971-L1974 HydrophobicContact CG-CD1 4.25Å; L1971-L1974 WeakPolarHBondContact O-CA 3.23Å; L1971-L1974 VanDerWaalsContact O-CB 3.27Å; L1971-L1974 WeakPolarHBondContact O-CB 3.35Å; L1971-L1974 PolarHBondContact O-N 2.89Å; L1971-L1974 VanDerWaalsContact O-N 3.12Å; E1972-L1974 VanDerWaalsContact C-N 3.3Å; E1972-L1974 PolarHBondContact O-N 3.13Å; L1974-A1976 VanDerWaalsContact C-N 3.31Å; L1974-A1976 PolarHBondContact O-N 3.35Å; L1974-E1977 PolarHBondContact O-N 3.48Å; L1974-A1978 VanDerWaalsContact O-CB 3.3Å; L1974-A1978 WeakPolarHBondContact O-CB 3.48Å; L1974-A1978 PolarHBondContact O-N 3.02Å |
| 1975 | S | 41.6 | Very low | 36.6 | Very low | 66.4 Ų | 66.4 | 92.7 Ų | 92.7 | 46% | 0.464 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.9 | -36.9 | 177 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | L1971 E1972 L1973 A1978 S1979 | L1971-S1975 WeakPolarHBondContact O-CB 3.49Å; L1971-S1975 PolarHBondContact O-N 3.24Å; L1971-S1975 PolarHBondContact O-OG 3.31Å; E1972-S1975 VanDerWaalsContact CA-OG 3.32Å; E1972-S1975 WeakPolarHBondContact CA-OG 3.31Å; E1972-S1975 CarbonylContact O-C 3.54Å; E1972-S1975 PolarHBondContact O-N 3.27Å; E1972-S1975 VanDerWaalsContact O-N 3.16Å; E1972-S1975 PolarHBondContact O-OG 3.23Å; L1973-S1975 VanDerWaalsContact C-N 3.35Å; L1973-S1975 PolarHBondContact O-N 3.3Å; S1975-A1978 WeakPolarHBondContact O-CB 3.16Å; S1975-A1978 PolarHBondContact O-N 3.41Å; S1975-S1979 WeakPolarHBondContact O-CB 3.35Å; S1975-S1979 PolarHBondContact O-N 3.13Å |
| 1976 | A | 38.4 | Very low | 35.7 | Very low | 38.4 Ų | 38.4 | 89.9 Ų | 89.9 | 32% | 0.317 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.5 | -33.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1972 L1973 L1974 A1978 S1979 R1980 | E1972-A1976 WeakPolarHBondContact O-CA 3.32Å; E1972-A1976 VanDerWaalsContact O-CB 3.28Å; E1972-A1976 WeakPolarHBondContact O-CB 3.37Å; E1972-A1976 PolarHBondContact O-N 3.08Å; L1973-A1976 CarbonylContact O-C 3.56Å; L1973-A1976 PolarHBondContact O-N 3.44Å; L1974-A1976 VanDerWaalsContact C-N 3.31Å; L1974-A1976 PolarHBondContact O-N 3.35Å; A1976-A1978 VanDerWaalsContact C-N 3.28Å; A1976-S1979 PolarHBondContact O-N 3.42Å; A1976-S1979 VanDerWaalsContact O-N 3.12Å; A1976-S1979 PolarHBondContact O-OG 2.82Å; A1976-R1980 VanDerWaalsContact O-CB 3.22Å; A1976-R1980 WeakPolarHBondContact O-CB 3.36Å; A1976-R1980 WeakPolarHBondContact O-CG 3.29Å; A1976-R1980 PolarHBondContact O-N 3.29Å; A1976-R1980 VanDerWaalsContact O-N 3.12Å; A1976-R1980 PolarHBondContact O-NE 3Å |
| 1977 | E | 36 | Very low | 34.9 | Very low | 80.2 Ų | 80.2 | 93.3 Ų | 93.3 | 38% | 0.375 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.6 | -35 | 171.7 | -99.9 | 102.9 | -152.2 | 0 | 0 | 112 | L1973 L1974 S1979 R1980 K1981 | L1973-E1977 WeakPolarHBondContact CD1-OE2 3.43Å; L1973-E1977 VanDerWaalsContact CG-OE2 3.3Å; L1973-E1977 WeakPolarHBondContact CG-OE2 3.37Å; L1973-E1977 VanDerWaalsContact O-CB 3.27Å; L1973-E1977 WeakPolarHBondContact O-CB 3.37Å; L1973-E1977 WeakPolarHBondContact O-CG 3.3Å; L1973-E1977 PolarHBondContact O-N 3.19Å; L1974-E1977 PolarHBondContact O-N 3.48Å; E1977-S1979 VanDerWaalsContact C-N 3.29Å; E1977-S1979 PolarHBondContact O-N 2.89Å; E1977-R1980 VanDerWaalsContact CD-CZ 3.49Å; E1977-R1980 PolarHBondContact O-N 3.22Å; E1977-R1980 VanDerWaalsContact O-N 3.13Å; E1977-R1980 IonicContact OE1-CZ 3.67Å; E1977-R1980 VanDerWaalsContact OE1-CZ 3.26Å; E1977-R1980 IonicContact OE1-NE 2.9Å; E1977-R1980 IonicContact OE1-NH1 3.18Å; E1977-R1980 PolarHBondContact OE1-NH1 2.94Å; E1977-R1980 IonicContact OE1-NH2 3.31Å; E1977-R1980 PolarHBondContact OE1-NH2 3.16Å; E1977-R1980 VanDerWaalsContact OE1-NH2 3.09Å; E1977-R1980 IonicContact OE2-CZ 3.26Å; E1977-R1980 IonicContact OE2-NH2 3.74Å; E1977-R1980 PolarHBondContact OE2-NH2 3.03Å; E1977-K1981 PolarHBondContact O-N 3.03Å |
| 1978 | A | 33.8 | Very low | 34.3 | Very low | 59.4 Ų | 59.4 | 93.3 Ų | 93.3 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -38.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1974 S1975 A1976 R1980 K1981 T1982 | L1974-A1978 VanDerWaalsContact O-CB 3.3Å; L1974-A1978 WeakPolarHBondContact O-CB 3.48Å; L1974-A1978 PolarHBondContact O-N 3.02Å; S1975-A1978 WeakPolarHBondContact O-CB 3.16Å; S1975-A1978 PolarHBondContact O-N 3.41Å; A1976-A1978 VanDerWaalsContact C-N 3.28Å; A1978-R1980 VanDerWaalsContact C-N 3.3Å; A1978-R1980 PolarHBondContact O-N 3.04Å; A1978-K1981 PolarHBondContact O-N 3.34Å; A1978-T1982 PolarHBondContact O-N 2.97Å; A1978-T1982 PolarHBondContact O-OG1 3.26Å |
| 1979 | S | 33 | Very low | 33.7 | Very low | 74.4 Ų | 74.4 | 98.5 Ų | 98.5 | 52% | 0.52 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.9 | -28.1 | 175.2 | -137.3 | 0 | 0 | 0 | 0 | 113.4 | S1975 A1976 E1977 K1981 T1982 T1983 | S1975-S1979 WeakPolarHBondContact O-CB 3.35Å; S1975-S1979 PolarHBondContact O-N 3.13Å; A1976-S1979 PolarHBondContact O-N 3.42Å; A1976-S1979 VanDerWaalsContact O-N 3.12Å; A1976-S1979 PolarHBondContact O-OG 2.82Å; E1977-S1979 VanDerWaalsContact C-N 3.29Å; E1977-S1979 PolarHBondContact O-N 2.89Å; S1979-K1981 PolarHBondContact O-N 3.29Å; S1979-K1981 VanDerWaalsContact O-N 3.13Å; S1979-T1982 PolarHBondContact O-N 3Å; S1979-T1982 PolarHBondContact O-OG1 2.97Å; S1979-T1982 VanDerWaalsContact O-OG1 3.05Å; S1979-T1983 VanDerWaalsContact O-CB 3.29Å; S1979-T1983 WeakPolarHBondContact O-CB 3.48Å; S1979-T1983 WeakPolarHBondContact O-CG2 3.25Å; S1979-T1983 PolarHBondContact O-N 3.27Å; S1979-T1983 PolarHBondContact O-OG1 3.31Å |
| 1980 | R | 31.8 | Very low | 32.9 | Very low | 146.6 Ų | 146.6 | 98.7 Ų | 98.7 | 55% | 0.553 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.7 | -13 | -178 | -84 | -174.9 | -77.3 | 176.2 | -2.1 | 114.9 | A1976 E1977 A1978 T1982 T1983 A1984 | A1976-R1980 VanDerWaalsContact O-CB 3.22Å; A1976-R1980 WeakPolarHBondContact O-CB 3.36Å; A1976-R1980 WeakPolarHBondContact O-CG 3.29Å; A1976-R1980 PolarHBondContact O-N 3.29Å; A1976-R1980 VanDerWaalsContact O-N 3.12Å; A1976-R1980 PolarHBondContact O-NE 3Å; E1977-R1980 VanDerWaalsContact CD-CZ 3.49Å; E1977-R1980 PolarHBondContact O-N 3.22Å; E1977-R1980 VanDerWaalsContact O-N 3.13Å; E1977-R1980 IonicContact OE1-CZ 3.67Å; E1977-R1980 VanDerWaalsContact OE1-CZ 3.26Å; E1977-R1980 IonicContact OE1-NE 2.9Å; E1977-R1980 IonicContact OE1-NH1 3.18Å; E1977-R1980 PolarHBondContact OE1-NH1 2.94Å; E1977-R1980 IonicContact OE1-NH2 3.31Å; E1977-R1980 PolarHBondContact OE1-NH2 3.16Å; E1977-R1980 VanDerWaalsContact OE1-NH2 3.09Å; E1977-R1980 IonicContact OE2-CZ 3.26Å; E1977-R1980 IonicContact OE2-NH2 3.74Å; E1977-R1980 PolarHBondContact OE2-NH2 3.03Å; A1978-R1980 VanDerWaalsContact C-N 3.3Å; A1978-R1980 PolarHBondContact O-N 3.04Å; R1980-T1982 PolarHBondContact O-N 3.27Å; R1980-T1983 WeakPolarHBondContact CA-OG1 3.41Å; R1980-A1984 PolarHBondContact O-N 2.75Å |
| 1981 | K | 30.1 | Very low | 32.2 | Very low | 166.4 Ų | 166.4 | 100.3 Ų | 100.3 | 72% | 0.723 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -85.8 | -8.1 | 174.8 | -76.5 | -173.9 | 179.9 | 174.7 | 0 | 114.5 | D1903 E1977 A1978 S1979 | D1903-K1981 PolarHBondContact O-NZ 2.89Å; E1977-K1981 PolarHBondContact O-N 3.03Å; A1978-K1981 PolarHBondContact O-N 3.34Å; S1979-K1981 PolarHBondContact O-N 3.29Å; S1979-K1981 VanDerWaalsContact O-N 3.13Å |
| 1982 | T | 30.3 | Very low | 31.3 | Very low | 107.8 Ų | 107.8 | 105.4 Ų | 105.4 | 66% | 0.661 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -101.7 | 0.7 | 175.3 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | A1978 S1979 R1980 A1984 | A1978-T1982 PolarHBondContact O-N 2.97Å; A1978-T1982 PolarHBondContact O-OG1 3.26Å; S1979-T1982 PolarHBondContact O-N 3Å; S1979-T1982 PolarHBondContact O-OG1 2.97Å; S1979-T1982 VanDerWaalsContact O-OG1 3.05Å; R1980-T1982 PolarHBondContact O-N 3.27Å; T1982-A1984 PolarHBondContact O-N 3.07Å |
| 1983 | T | 28.3 | Very low | 30.6 | Very low | 107.4 Ų | 107.4 | 105.2 Ų | 105.2 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -107.9 | 23.5 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 114 | S1979 R1980 A1985 | S1979-T1983 VanDerWaalsContact O-CB 3.29Å; S1979-T1983 WeakPolarHBondContact O-CB 3.48Å; S1979-T1983 WeakPolarHBondContact O-CG2 3.25Å; S1979-T1983 PolarHBondContact O-N 3.27Å; S1979-T1983 PolarHBondContact O-OG1 3.31Å; R1980-T1983 WeakPolarHBondContact CA-OG1 3.41Å; T1983-A1985 PolarHBondContact O-N 3.18Å; T1983-A1985 VanDerWaalsContact O-N 3.11Å |
| 1984 | A | 26.5 | Very low | 29.9 | Very low | 95.2 Ų | 95.2 | 105.7 Ų | 105.7 | 79% | 0.787 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -110.2 | 14.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1980 T1982 S1986 | R1980-A1984 PolarHBondContact O-N 2.75Å; T1982-A1984 PolarHBondContact O-N 3.07Å; A1984-S1986 PolarHBondContact O-N 2.9Å |
| 1985 | A | 26.4 | Very low | 29.1 | Very low | 95.8 Ų | 95.8 | 113 Ų | 113 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -123.1 | 58.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1983 L1987 | T1983-A1985 PolarHBondContact O-N 3.18Å; T1983-A1985 VanDerWaalsContact O-N 3.11Å; A1985-L1987 VanDerWaalsContact C-N 3.32Å; A1985-L1987 PolarHBondContact O-N 3Å |
| 1986 | S | 22.8 | Very low | 28.5 | Very low | 109.8 Ų | 109.8 | 115.8 Ų | 115.8 | 77% | 0.768 | 71% | 0.708 | S | S | * | * | trans | -72.6 | 70.1 | 166 | -168.9 | 0 | 0 | 0 | 0 | 114.6 | A1984 | A1984-S1986 PolarHBondContact O-N 2.9Š| ||
| 1987 | L | 23.7 | Very low | 27.9 | Very low | 162.2 Ų | 162.2 | 123.4 Ų | 123.4 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | trans | -116.4 | 90.7 | 156.3 | -136.2 | 81 | 0 | 0 | 0 | 111.1 | A1985 N1989 | A1985-L1987 VanDerWaalsContact C-N 3.32Å; A1985-L1987 PolarHBondContact O-N 3Å; L1987-N1989 VanDerWaalsContact C-N 3.27Å; L1987-N1989 HydrophobicContact CD2-CB 4.4Å; L1987-N1989 PolarHBondContact O-N 2.88Å | ||
| 1988 | A | 25.8 | Very low | 27.3 | Very low | 88.8 Ų | 88.8 | 123.8 Ų | 123.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -98 | 94.5 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1989 | N | 28 | Very low | 27.1 | Very low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -165.3 | 110.9 | 143.9 | -92.3 | -18.4 | 0 | 0 | 0 | 109.5 | L1987 V1991 | L1987-N1989 VanDerWaalsContact C-N 3.27Å; L1987-N1989 HydrophobicContact CD2-CB 4.4Å; L1987-N1989 PolarHBondContact O-N 2.88Å; N1989-V1991 PolarHBondContact O-N 3.06Å; N1989-V1991 VanDerWaalsContact O-N 3.12Å | ||
| 1990 | G | 24.1 | Very low | 26.8 | Very low | 82.4 Ų | 82.4 | 129.1 Ų | 129.1 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | trans | -54.6 | 114.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1991 | V | 27.1 | Very low | 26.5 | Very low | 136.8 Ų | 136.8 | 126.9 Ų | 126.9 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -138.6 | 117.1 | 150.4 | 175.7 | 0 | 0 | 0 | 0 | 106.4 | N1989 | N1989-V1991 PolarHBondContact O-N 3.06Å; N1989-V1991 VanDerWaalsContact O-N 3.12Å | ||
| 1992 | Q | 25.3 | Very low | 26.5 | Very low | 179.4 Ų | 179.4 | 125.6 Ų | 125.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -58.9 | 147.8 | 176.8 | -72.5 | 179.1 | -9 | 0 | 0 | 110.7 | A1994 | Q1992-A1994 PolarHBondContact O-N 3.22Å; Q1992-A1994 VanDerWaalsContact O-N 3.16Å | ||
| 1993 | P | 26.7 | Very low | 26.3 | Very low | 125.4 Ų | 125.4 | 124 Ų | 124 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 121.9 | -179.6 | 28.7 | -30 | 0 | 0 | 0 | 111.3 | K1995 | P1993-K1995 PolarHBondContact O-N 3.03Š| ||
| 1994 | A | 26.5 | Very low | 26.3 | Very low | 98.8 Ų | 98.8 | 128.5 Ų | 128.5 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 132.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q1992 | Q1992-A1994 PolarHBondContact O-N 3.22Å; Q1992-A1994 VanDerWaalsContact O-N 3.16Å |
| 1995 | K | 25 | Very low | 26.4 | Very low | 196.8 Ų | 196.8 | 133.1 Ų | 133.1 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 146.4 | -172.8 | -84.8 | 173.3 | 173.9 | 175.2 | 0 | 113.2 | P1993 F1997 | P1993-K1995 PolarHBondContact O-N 3.03Å; K1995-F1997 PolarHBondContact O-N 3.23Å |
| 1996 | P | 28.1 | Very low | 26.6 | Very low | 125.6 Ų | 125.6 | 136.4 Ų | 136.4 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 132.1 | -176.4 | 22 | -23 | 0 | 0 | 0 | 110.8 | A1998 | P1996-A1998 PolarHBondContact O-N 2.92Å; P1996-A1998 VanDerWaalsContact O-N 3.16Å |
| 1997 | F | 25.8 | Very low | 27 | Very low | 198.6 Ų | 198.6 | 135.9 Ų | 135.9 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 128.6 | 170.9 | -141.1 | -98.1 | 0 | 0 | 0 | 109.2 | K1995 T1999 | K1995-F1997 PolarHBondContact O-N 3.23Å; F1997-T1999 HydrophobicContact CD1-CG2 4.33Å; F1997-T1999 PolarHBondContact O-N 3.28Å; F1997-T1999 VanDerWaalsContact O-N 3.12Å |
| 1998 | A | 25.2 | Very low | 27.4 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -59.4 | 120.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1996 | P1996-A1998 PolarHBondContact O-N 2.92Å; P1996-A1998 VanDerWaalsContact O-N 3.16Å | ||
| 1999 | T | 28.5 | Very low | 27.8 | Very low | 125.2 Ų | 125.2 | 134 Ų | 134 | 77% | 0.768 | 80% | 0.8 | S | S | * | * | trans | -91 | 140.4 | 155.7 | 39 | 0 | 0 | 0 | 0 | 110 | F1997 | F1997-T1999 HydrophobicContact CD1-CG2 4.33Å; F1997-T1999 PolarHBondContact O-N 3.28Å; F1997-T1999 VanDerWaalsContact O-N 3.12Å | ||
| 2000 | P | 26.7 | Very low | 28.1 | Very low | 119.4 Ų | 119.4 | 134.7 Ų | 134.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -82.6 | 147.3 | -170.9 | 18.2 | -8.9 | 0 | 0 | 0 | 111.9 | T2002 | P2000-T2002 PolarHBondContact O-N 3.2Å; P2000-T2002 VanDerWaalsContact O-N 3.13Å | ||
| 2001 | A | 25.6 | Very low | 28.5 | Very low | 100.8 Ų | 100.8 | 134.5 Ų | 134.5 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | -49.6 | 109.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2002 | T | 29.5 | Very low | 28.7 | Very low | 138.4 Ų | 138.4 | 135.1 Ų | 135.1 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | trans | -150.9 | 121.1 | 151.9 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | P2000 | P2000-T2002 PolarHBondContact O-N 3.2Å; P2000-T2002 VanDerWaalsContact O-N 3.13Å | ||
| 2003 | G | 27.1 | Very low | 29 | Very low | 73.2 Ų | 73.2 | 132.4 Ų | 132.4 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 37.8 | 117.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E2005 | G2003-E2005 VanDerWaalsContact C-N 3.31Å; G2003-E2005 PolarHBondContact O-N 3.04Å; G2003-E2005 VanDerWaalsContact O-N 3.09Å | ||
| 2004 | K | 28 | Very low | 29.2 | Very low | 202.8 Ų | 202.8 | 132.6 Ų | 132.6 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -78.1 | 102 | 160.8 | -72.5 | 178.8 | 175.7 | -178.8 | 0 | 108.1 | E2006 | K2004-E2006 PolarHBondContact O-N 3.02Å; K2004-E2006 VanDerWaalsContact O-N 3.14Å | ||
| 2005 | E | 28.3 | Very low | 29.4 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | -84.6 | 107 | 158.8 | -72.1 | -177.7 | 167.2 | 0 | 0 | 106.7 | G2003 A2007 | G2003-E2005 VanDerWaalsContact C-N 3.31Å; G2003-E2005 PolarHBondContact O-N 3.04Å; G2003-E2005 VanDerWaalsContact O-N 3.09Å; E2005-A2007 PolarHBondContact O-N 3.1Å; E2005-A2007 VanDerWaalsContact O-N 3.07Å | ||
| 2006 | E | 30.9 | Very low | 29.6 | Very low | 165.6 Ų | 165.6 | 130 Ų | 130 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | -70.9 | 103.3 | 174 | -68.2 | -178.5 | 169.1 | 0 | 0 | 108.2 | K2004 V2008 | K2004-E2006 PolarHBondContact O-N 3.02Å; K2004-E2006 VanDerWaalsContact O-N 3.14Å; E2006-V2008 VanDerWaalsContact C-N 3.29Å; E2006-V2008 HydrophobicContact CB-CG2 4.19Å; E2006-V2008 PolarHBondContact O-N 3.24Å; E2006-V2008 VanDerWaalsContact O-N 3.13Å | ||
| 2007 | A | 30.7 | Very low | 29.6 | Very low | 100.6 Ų | 100.6 | 130.5 Ų | 130.5 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | -62.2 | 100.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | E2005 D2009 | E2005-A2007 PolarHBondContact O-N 3.1Å; E2005-A2007 VanDerWaalsContact O-N 3.07Å; A2007-D2009 PolarHBondContact O-N 3.06Å; A2007-D2009 VanDerWaalsContact O-N 3.09Å | ||
| 2008 | V | 33.3 | Very low | 29.8 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 50% | 0.503 | 73% | 0.726 | S | S | . | * | trans | -69.2 | 108.9 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 108 | E2006 W2010 | E2006-V2008 VanDerWaalsContact C-N 3.29Å; E2006-V2008 HydrophobicContact CB-CG2 4.19Å; E2006-V2008 PolarHBondContact O-N 3.24Å; E2006-V2008 VanDerWaalsContact O-N 3.13Å; V2008-W2010 HydrophobicContact CB-CZ2 4.36Å; V2008-W2010 HydrophobicContact CG1-CD2 4.21Å; V2008-W2010 HydrophobicContact CG1-CE3 4.4Å; V2008-W2010 HydrophobicContact CG1-CH2 4.26Å; V2008-W2010 HydrophobicContact CG1-CZ2 3.93Å; V2008-W2010 HydrophobicContact CG1-CZ3 4.41Å; V2008-W2010 VanDerWaalsContact O-CD1 3.28Å; V2008-W2010 PolarHBondContact O-N 3.3Å; V2008-W2010 PolarHBondContact O-NE1 3.04Å | ||
| 2009 | D | 32.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | trans | -75.8 | 115.7 | 176.1 | -162.2 | -7 | 0 | 0 | 0 | 109.4 | A2007 S2011 | A2007-D2009 PolarHBondContact O-N 3.06Å; A2007-D2009 VanDerWaalsContact O-N 3.09Å; D2009-S2011 VanDerWaalsContact C-N 3.34Å; D2009-S2011 PolarHBondContact O-N 3.16Å; D2009-S2011 WeakPolarHBondContact OD1-CB 3.27Å; D2009-S2011 PolarHBondContact OD1-N 3.09Å; D2009-S2011 VanDerWaalsContact OD1-N 3.1Å; D2009-S2011 PolarHBondContact OD1-OG 3.26Å; D2009-S2011 PolarHBondContact OD2-OG 3.33Å | ||
| 2010 | W | 34.1 | Very low | 30 | Very low | 168.2 Ų | 168.2 | 131.3 Ų | 131.3 | 64% | 0.637 | 73% | 0.729 | S | S | * | * | trans | -89.4 | 12.2 | -176.6 | -67.9 | 95 | 0 | 0 | 0 | 112.8 | V2008 F2026 I2081 | V2008-W2010 HydrophobicContact CB-CZ2 4.36Å; V2008-W2010 HydrophobicContact CG1-CD2 4.21Å; V2008-W2010 HydrophobicContact CG1-CE3 4.4Å; V2008-W2010 HydrophobicContact CG1-CH2 4.26Å; V2008-W2010 HydrophobicContact CG1-CZ2 3.93Å; V2008-W2010 HydrophobicContact CG1-CZ3 4.41Å; V2008-W2010 VanDerWaalsContact O-CD1 3.28Å; V2008-W2010 PolarHBondContact O-N 3.3Å; V2008-W2010 PolarHBondContact O-NE1 3.04Å; W2010-F2026 HydrophobicContact CE3-CZ 4.38Å; W2010-F2026 HydrophobicContact CH2-CE1 4.31Å; W2010-F2026 AromaticContact CH2-CZ 3.95Å; W2010-F2026 HydrophobicContact CH2-CZ 3.95Å; W2010-F2026 AromaticContact CZ3-CE1 3.8Å; W2010-F2026 HydrophobicContact CZ3-CE1 3.98Å; W2010-F2026 HydrophobicContact CZ3-CE2 4.14Å; W2010-F2026 AromaticContact CZ3-CZ 3.39Å; W2010-F2026 HydrophobicContact CZ3-CZ 3.81Å; W2010-I2081 HydrophobicContact CE3-CD1 4.12Å; W2010-I2081 HydrophobicContact CH2-CD1 4.25Å; W2010-I2081 HydrophobicContact CZ3-CD1 3.64Å | ||
| 2011 | S | 34.1 | Very low | 30.2 | Very low | 79.8 Ų | 79.8 | 131.6 Ų | 131.6 | 56% | 0.558 | 72% | 0.724 | S | S | * | * | trans | -100.6 | 85.4 | 176.2 | 58 | 0 | 0 | 0 | 0 | 111.3 | D2009 D2013 | D2009-S2011 VanDerWaalsContact C-N 3.34Å; D2009-S2011 PolarHBondContact O-N 3.16Å; D2009-S2011 WeakPolarHBondContact OD1-CB 3.27Å; D2009-S2011 PolarHBondContact OD1-N 3.09Å; D2009-S2011 VanDerWaalsContact OD1-N 3.1Å; D2009-S2011 PolarHBondContact OD1-OG 3.26Å; D2009-S2011 PolarHBondContact OD2-OG 3.33Å; S2011-D2013 PolarHBondContact O-N 3.27Å | ||
| 2012 | F | 30 | Very low | 30.4 | Very low | 147.8 Ų | 147.8 | 133.1 Ų | 133.1 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | trans | -95.7 | 122.8 | 174.7 | -159.2 | -95.8 | 0 | 0 | 0 | 110.5 | I2014 V2020 | F2012-I2014 HydrophobicContact CD1-CD1 4.38Å; F2012-I2014 HydrophobicContact CD1-CG1 4.03Å; F2012-I2014 HydrophobicContact CE1-CG1 4.05Å; F2012-I2014 PolarHBondContact O-N 2.71Å; F2012-V2020 HydrophobicContact CE1-CG2 4.01Å; F2012-V2020 HydrophobicContact CE2-CG2 3.84Å; F2012-V2020 HydrophobicContact CZ-CG2 3.4Å; F2012-V2020 VanDerWaalsContact CZ-CG2 3.4Å | ||
| 2013 | D | 32 | Very low | 30.5 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | -84.5 | 118.4 | 178.8 | -115 | -22.3 | 0 | 0 | 0 | 110.5 | S2011 N2015 T2016 | S2011-D2013 PolarHBondContact O-N 3.27Å; D2013-N2015 PolarHBondContact O-N 2.97Å; D2013-N2015 VanDerWaalsContact O-N 3.13Å; D2013-T2016 PolarHBondContact O-N 3.41Å; D2013-T2016 PolarHBondContact O-OG1 3.03Å | ||
| 2014 | I | 31.7 | Very low | 30.8 | Very low | 130.6 Ų | 130.6 | 133.2 Ų | 133.2 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -6.4 | -172.3 | -70.9 | 171.3 | 0 | 0 | 0 | 113.4 | F2012 T2016 V2080 | F2012-I2014 HydrophobicContact CD1-CD1 4.38Å; F2012-I2014 HydrophobicContact CD1-CG1 4.03Å; F2012-I2014 HydrophobicContact CE1-CG1 4.05Å; F2012-I2014 PolarHBondContact O-N 2.71Å; I2014-T2016 VanDerWaalsContact C-N 3.28Å; I2014-T2016 PolarHBondContact O-N 2.95Å; I2014-T2016 VanDerWaalsContact O-N 3.16Å; I2014-V2080 HydrophobicContact CD1-CG1 4.09Å; I2014-V2080 HydrophobicContact CD1-CG2 4.38Å; I2014-V2080 HydrophobicContact CG1-CG2 4.32Å |
| 2015 | N | 30.7 | Very low | 31 | Very low | 147.8 Ų | 147.8 | 133.3 Ų | 133.3 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 19.1 | -175.8 | -75.2 | -13.2 | 0 | 0 | 0 | 115.1 | D2013 P2017 | D2013-N2015 PolarHBondContact O-N 2.97Å; D2013-N2015 VanDerWaalsContact O-N 3.13Å; N2015-P2017 WeakPolarHBondContact O-CD 3.41Å |
| 2016 | T | 28.8 | Very low | 31.2 | Very low | 91.6 Ų | 91.6 | 129.6 Ų | 129.6 | 56% | 0.562 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -106.3 | 115.1 | 167.9 | 22.4 | 0 | 0 | 0 | 0 | 110.5 | D2013 I2014 S2018 | D2013-T2016 PolarHBondContact O-N 3.41Å; D2013-T2016 PolarHBondContact O-OG1 3.03Å; I2014-T2016 VanDerWaalsContact C-N 3.28Å; I2014-T2016 PolarHBondContact O-N 2.95Å; I2014-T2016 VanDerWaalsContact O-N 3.16Å; T2016-S2018 PolarHBondContact O-N 3.11Å |
| 2017 | P | 27.3 | Very low | 31.3 | Very low | 137.2 Ų | 137.2 | 129.1 Ų | 129.1 | 89% | 0.891 | 68% | 0.679 | S | S | * | * | trans | -80.2 | 58 | -177.1 | 33.9 | -33.8 | 0 | 0 | 0 | 110.9 | N2015 R2019 | N2015-P2017 WeakPolarHBondContact O-CD 3.41Å; P2017-R2019 PolarHBondContact O-N 3.12Å | ||
| 2018 | S | 29.7 | Very low | 31.2 | Very low | 78.4 Ų | 78.4 | 129.7 Ų | 129.7 | 55% | 0.548 | 67% | 0.668 | S | S | . | * | trans | -93.2 | 110.3 | 170.9 | 58.3 | 0 | 0 | 0 | 0 | 109.6 | T2016 V2020 | T2016-S2018 PolarHBondContact O-N 3.11Å; S2018-V2020 VanDerWaalsContact C-N 3.26Å; S2018-V2020 WeakPolarHBondContact O-CG2 3.43Å; S2018-V2020 PolarHBondContact O-N 3.09Å; S2018-V2020 VanDerWaalsContact O-N 3.11Å | ||
| 2019 | R | 27 | Very low | 31 | Very low | 244 Ų | 244 | 130.5 Ų | 130.5 | 92% | 0.921 | 68% | 0.675 | S | S | * | * | trans | -49.1 | 95.3 | 172.4 | -151.6 | 177.4 | -178.6 | 167.4 | 0.6 | 111.2 | P2017 | P2017-R2019 PolarHBondContact O-N 3.12Š| ||
| 2020 | V | 30.8 | Very low | 30.8 | Very low | 106.8 Ų | 106.8 | 132.3 Ų | 132.3 | 65% | 0.647 | 68% | 0.677 | S | S | * | * | trans | -113.2 | 109.1 | 172.6 | -179 | 0 | 0 | 0 | 0 | 108.4 | F2012 S2018 L2022 | F2012-V2020 HydrophobicContact CE1-CG2 4.01Å; F2012-V2020 HydrophobicContact CE2-CG2 3.84Å; F2012-V2020 HydrophobicContact CZ-CG2 3.4Å; F2012-V2020 VanDerWaalsContact CZ-CG2 3.4Å; S2018-V2020 VanDerWaalsContact C-N 3.26Å; S2018-V2020 WeakPolarHBondContact O-CG2 3.43Å; S2018-V2020 PolarHBondContact O-N 3.09Å; S2018-V2020 VanDerWaalsContact O-N 3.11Å; V2020-L2022 PolarHBondContact O-N 3.16Å; V2020-L2022 VanDerWaalsContact O-N 3.11Å | ||
| 2021 | D | 31.4 | Very low | 30.4 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 67% | 0.674 | 68% | 0.683 | S | S | * | * | trans | -62.4 | 109.4 | 175.4 | -83.4 | -38.6 | 0 | 0 | 0 | 110.8 | S2023 N2024 | D2021-S2023 PolarHBondContact O-N 3.11Å; D2021-S2023 PolarHBondContact OD1-OG 2.97Å; D2021-N2024 PolarHBondContact O-N 3.4Å | ||
| 2022 | L | 30.8 | Very low | 30.1 | Very low | 132.8 Ų | 132.8 | 134 Ų | 134 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -73 | -2.3 | 178.9 | -80 | 148.7 | 0 | 0 | 0 | 113.4 | V2020 N2024 R2025 F2026 I2081 I2084 | V2020-L2022 PolarHBondContact O-N 3.16Å; V2020-L2022 VanDerWaalsContact O-N 3.11Å; L2022-N2024 VanDerWaalsContact C-N 3.32Å; L2022-N2024 PolarHBondContact O-N 2.92Å; L2022-R2025 PolarHBondContact O-N 3.37Å; L2022-F2026 HydrophobicContact CD2-CD2 4.21Å; L2022-F2026 HydrophobicContact CD2-CE2 4.21Å; L2022-F2026 PolarHBondContact O-N 2.57Å; L2022-I2081 HydrophobicContact CD2-CD1 4.38Å; L2022-I2081 HydrophobicContact CD2-CG1 4.39Å; L2022-I2084 HydrophobicContact CD1-CD1 4.06Å |
| 2023 | S | 31 | Very low | 29.9 | Very low | 69.4 Ų | 69.4 | 133.6 Ų | 133.6 | 49% | 0.485 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -72.3 | -19.5 | 179.3 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | D2021 R2025 F2026 N2027 | D2021-S2023 PolarHBondContact O-N 3.11Å; D2021-S2023 PolarHBondContact OD1-OG 2.97Å; S2023-R2025 VanDerWaalsContact C-N 3.35Å; S2023-R2025 PolarHBondContact O-N 3.14Å; S2023-F2026 VanDerWaalsContact O-O 3.08Å; S2023-N2027 PolarHBondContact O-N 3.37Å |
| 2024 | N | 32.6 | Very low | 29.8 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -97.4 | 5.8 | -179.5 | -82.4 | -13.8 | 0 | 0 | 0 | 114.8 | D2021 L2022 | D2021-N2024 PolarHBondContact O-N 3.4Å; L2022-N2024 VanDerWaalsContact C-N 3.32Å; L2022-N2024 PolarHBondContact O-N 2.92Å |
| 2025 | R | 32.5 | Very low | 29.7 | Very low | 205.6 Ų | 205.6 | 134.9 Ų | 134.9 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -12.7 | 174.7 | -85.5 | -163.4 | -178.7 | -174.7 | 1.7 | 115.8 | L2022 S2023 | L2022-R2025 PolarHBondContact O-N 3.37Å; S2023-R2025 VanDerWaalsContact C-N 3.35Å; S2023-R2025 PolarHBondContact O-N 3.14Å |
| 2026 | F | 32.6 | Very low | 29.7 | Very low | 111.6 Ų | 111.6 | 136.2 Ų | 136.2 | 49% | 0.489 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -114.5 | 91.9 | 176.2 | -67.9 | -78 | 0 | 0 | 0 | 109.9 | W2010 L2022 S2023 L2028 I2081 | W2010-F2026 HydrophobicContact CE3-CZ 4.38Å; W2010-F2026 HydrophobicContact CH2-CE1 4.31Å; W2010-F2026 AromaticContact CH2-CZ 3.95Å; W2010-F2026 HydrophobicContact CH2-CZ 3.95Å; W2010-F2026 AromaticContact CZ3-CE1 3.8Å; W2010-F2026 HydrophobicContact CZ3-CE1 3.98Å; W2010-F2026 HydrophobicContact CZ3-CE2 4.14Å; W2010-F2026 AromaticContact CZ3-CZ 3.39Å; W2010-F2026 HydrophobicContact CZ3-CZ 3.81Å; L2022-F2026 HydrophobicContact CD2-CD2 4.21Å; L2022-F2026 HydrophobicContact CD2-CE2 4.21Å; L2022-F2026 PolarHBondContact O-N 2.57Å; S2023-F2026 VanDerWaalsContact O-O 3.08Å; F2026-L2028 HydrophobicContact CB-CD1 3.71Å; F2026-L2028 HydrophobicContact CB-CG 3.96Å; F2026-L2028 HydrophobicContact CG-CD1 4.35Å; F2026-L2028 PolarHBondContact O-N 3.22Å; F2026-L2028 VanDerWaalsContact O-N 3.12Å; F2026-I2081 HydrophobicContact CE1-CD1 4.29Å; F2026-I2081 HydrophobicContact CZ-CD1 3.7Å |
| 2027 | N | 32.8 | Very low | 30 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | -57.9 | 65.4 | 169.3 | -75.1 | -29.3 | 0 | 0 | 0 | 109.8 | S2023 P2029 | S2023-N2027 PolarHBondContact O-N 3.37Å; N2027-P2029 VanDerWaalsContact O-CD 3.26Å; N2027-P2029 WeakPolarHBondContact O-CD 3.42Å | ||
| 2028 | L | 29.8 | Very low | 30.1 | Very low | 112.6 Ų | 112.6 | 142.5 Ų | 142.5 | 59% | 0.59 | 71% | 0.711 | S | S | * | * | trans | -75 | 128.6 | 164.7 | -104.2 | 105.4 | 0 | 0 | 0 | 107.2 | F2026 K2030 I2088 | F2026-L2028 HydrophobicContact CB-CD1 3.71Å; F2026-L2028 HydrophobicContact CB-CG 3.96Å; F2026-L2028 HydrophobicContact CG-CD1 4.35Å; F2026-L2028 PolarHBondContact O-N 3.22Å; F2026-L2028 VanDerWaalsContact O-N 3.12Å; L2028-K2030 PolarHBondContact O-N 3.06Å; L2028-K2030 VanDerWaalsContact O-N 3.12Å; L2028-I2088 HydrophobicContact CD2-CD1 4.33Å | ||
| 2029 | P | 28.7 | Very low | 30.2 | Very low | 100.8 Ų | 100.8 | 145.9 Ų | 145.9 | 66% | 0.655 | 72% | 0.723 | S | S | * | * | trans | -61.4 | 120 | 172.8 | 24.7 | -29.3 | 0 | 0 | 0 | 108.3 | N2027 L2031 | N2027-P2029 VanDerWaalsContact O-CD 3.26Å; N2027-P2029 WeakPolarHBondContact O-CD 3.42Å; P2029-L2031 VanDerWaalsContact C-N 3.29Å; P2029-L2031 PolarHBondContact O-N 3.18Å; P2029-L2031 VanDerWaalsContact O-N 3.12Å | ||
| 2030 | K | 28.2 | Very low | 30.5 | Very low | 163.6 Ų | 163.6 | 141.4 Ų | 141.4 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | -62.9 | 106.3 | 174.2 | -156.4 | -176.2 | -177.2 | -155.5 | 0 | 106.9 | L2028 E2032 | L2028-K2030 PolarHBondContact O-N 3.06Å; L2028-K2030 VanDerWaalsContact O-N 3.12Å; K2030-E2032 VanDerWaalsContact C-N 3.29Å; K2030-E2032 HydrophobicContact CD-CG 4.41Å; K2030-E2032 WeakPolarHBondContact CE-OE1 3.14Å; K2030-E2032 HydrophobicContact CG-CG 4.37Å; K2030-E2032 IonicContact NZ-OE1 3.57Å; K2030-E2032 PolarHBondContact NZ-OE1 3.11Å; K2030-E2032 IonicContact NZ-OE2 3.34Å; K2030-E2032 PolarHBondContact NZ-OE2 3.3Å; K2030-E2032 PolarHBondContact O-N 3.38Å | ||
| 2031 | L | 25.4 | Very low | 30.6 | Very low | 146.4 Ų | 146.4 | 143.8 Ų | 143.8 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | -73.4 | 94.7 | 168.5 | -99.7 | 103.7 | 0 | 0 | 0 | 106.9 | P2029 L2033 | P2029-L2031 VanDerWaalsContact C-N 3.29Å; P2029-L2031 PolarHBondContact O-N 3.18Å; P2029-L2031 VanDerWaalsContact O-N 3.12Å; L2031-L2033 VanDerWaalsContact C-N 3.3Å; L2031-L2033 PolarHBondContact O-N 3.09Å | ||
| 2032 | E | 28.5 | Very low | 30.6 | Very low | 138.8 Ų | 138.8 | 144.5 Ų | 144.5 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | -76.7 | 103.7 | 165.5 | -77.5 | 172.6 | 169.1 | 0 | 0 | 106.9 | K2030 D2034 | K2030-E2032 VanDerWaalsContact C-N 3.29Å; K2030-E2032 HydrophobicContact CD-CG 4.41Å; K2030-E2032 WeakPolarHBondContact CE-OE1 3.14Å; K2030-E2032 HydrophobicContact CG-CG 4.37Å; K2030-E2032 IonicContact NZ-OE1 3.57Å; K2030-E2032 PolarHBondContact NZ-OE1 3.11Å; K2030-E2032 IonicContact NZ-OE2 3.34Å; K2030-E2032 PolarHBondContact NZ-OE2 3.3Å; K2030-E2032 PolarHBondContact O-N 3.38Å; E2032-D2034 VanDerWaalsContact C-N 3.33Å; E2032-D2034 PolarHBondContact O-N 2.96Å | ||
| 2033 | L | 26.7 | Very low | 30.6 | Very low | 138.6 Ų | 138.6 | 146.7 Ų | 146.7 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | trans | -88.3 | 98.3 | 165.7 | -79.9 | 143.9 | 0 | 0 | 0 | 105.8 | L2031 L2035 | L2031-L2033 VanDerWaalsContact C-N 3.3Å; L2031-L2033 PolarHBondContact O-N 3.09Å; L2033-L2035 VanDerWaalsContact C-N 3.27Å; L2033-L2035 PolarHBondContact O-N 3.2Å | ||
| 2034 | D | 29.4 | Very low | 30.4 | Very low | 135.8 Ų | 135.8 | 147.3 Ų | 147.3 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | trans | -69.4 | 96.3 | 172.9 | -68.7 | -32.7 | 0 | 0 | 0 | 108.6 | E2032 E2036 | E2032-D2034 VanDerWaalsContact C-N 3.33Å; E2032-D2034 PolarHBondContact O-N 2.96Å; D2034-E2036 PolarHBondContact O-N 3.26Å; D2034-E2036 VanDerWaalsContact O-N 3.07Å | ||
| 2035 | L | 29.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -86.5 | 86.7 | 166.2 | -64.6 | 175.4 | 0 | 0 | 0 | 106.7 | L2033 E2037 | L2033-L2035 VanDerWaalsContact C-N 3.27Å; L2033-L2035 PolarHBondContact O-N 3.2Å; L2035-E2037 VanDerWaalsContact C-N 3.26Å; L2035-E2037 PolarHBondContact O-N 3.25Å; L2035-E2037 VanDerWaalsContact O-N 3.08Å | ||
| 2036 | E | 30.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -75.1 | 97.5 | 169.2 | -65.7 | -178.6 | 170.1 | 0 | 0 | 108.2 | D2034 E2038 | D2034-E2036 PolarHBondContact O-N 3.26Å; D2034-E2036 VanDerWaalsContact O-N 3.07Å; E2036-E2038 PolarHBondContact O-N 2.86Å | ||
| 2037 | E | 34 | Very low | 30.1 | Very low | 173.8 Ų | 173.8 | 147.4 Ų | 147.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -87.1 | 108.3 | 167.4 | -69.4 | -177.3 | 168.4 | 0 | 0 | 108.3 | L2035 D2039 | L2035-E2037 VanDerWaalsContact C-N 3.26Å; L2035-E2037 PolarHBondContact O-N 3.25Å; L2035-E2037 VanDerWaalsContact O-N 3.08Å; E2037-D2039 VanDerWaalsContact C-N 3.3Å; E2037-D2039 PolarHBondContact O-N 3.22Å; E2037-D2039 VanDerWaalsContact O-N 3.14Å | ||
| 2038 | E | 29.6 | Very low | 29.8 | Very low | 186.8 Ų | 186.8 | 144.5 Ų | 144.5 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | trans | -68.2 | 110.9 | 170.4 | -70.8 | -177.6 | 154.1 | 0 | 0 | 109.8 | E2036 D2040 | E2036-E2038 PolarHBondContact O-N 2.86Å; E2038-D2040 VanDerWaalsContact C-N 3.29Å; E2038-D2040 PolarHBondContact O-N 3.33Å; E2038-D2040 VanDerWaalsContact O-N 3.08Å | ||
| 2039 | D | 32.9 | Very low | 29.8 | Very low | 148.6 Ų | 148.6 | 146.5 Ų | 146.5 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | trans | -108.8 | 117.3 | 165.7 | -81.3 | -38.6 | 0 | 0 | 0 | 111.5 | E2037 I2041 | E2037-D2039 VanDerWaalsContact C-N 3.3Å; E2037-D2039 PolarHBondContact O-N 3.22Å; E2037-D2039 VanDerWaalsContact O-N 3.14Å; D2039-I2041 PolarHBondContact O-N 2.86Å | ||
| 2040 | D | 32.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -117.9 | 114.7 | 163.6 | -72.9 | -37.8 | 0 | 0 | 0 | 114.7 | E2038 D2042 | E2038-D2040 VanDerWaalsContact C-N 3.29Å; E2038-D2040 PolarHBondContact O-N 3.33Å; E2038-D2040 VanDerWaalsContact O-N 3.08Å; D2040-D2042 PolarHBondContact O-N 3.32Å | ||
| 2041 | I | 32.6 | Very low | 29.7 | Very low | 156.8 Ų | 156.8 | 148.1 Ų | 148.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -172.7 | 101.2 | 150.8 | -63 | 152.8 | 0 | 0 | 0 | 111.2 | D2039 E2043 | D2039-I2041 PolarHBondContact O-N 2.86Å; I2041-E2043 PolarHBondContact O-N 3.39Å | ||
| 2042 | D | 31.3 | Very low | 29.8 | Very low | 142.4 Ų | 142.4 | 146.5 Ų | 146.5 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -32.3 | 123.2 | 149.3 | -70.7 | -37.1 | 0 | 0 | 0 | 115.8 | D2040 | D2040-D2042 PolarHBondContact O-N 3.32Š| ||
| 2043 | E | 31.1 | Very low | 29.7 | Very low | 178.8 Ų | 178.8 | 145.2 Ų | 145.2 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 91.3 | 121.3 | 132.9 | -75.8 | -76.5 | 164.9 | 0 | 0 | 116.5 | I2041 | I2041-E2043 PolarHBondContact O-N 3.39Š| ||
| 2044 | A | 27.1 | Very low | 29.6 | Very low | 81.6 Ų | 81.6 | 144 Ų | 144 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | trans | -113.4 | 120.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2045 | D | 30.7 | Very low | 29.4 | Very low | 150.8 Ų | 150.8 | 143 Ų | 143 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -165.7 | 94.5 | 149.3 | -88 | -24.4 | 0 | 0 | 0 | 111.8 | ||||
| 2046 | Q | 28.2 | Very low | 29.2 | Very low | 180.2 Ų | 180.2 | 141.3 Ų | 141.3 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -83.8 | 117.3 | 131 | -73.2 | -175 | 34.4 | 0 | 0 | 112.1 | ||||
| 2047 | T | 31.4 | Very low | 28.9 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -150.5 | 121.4 | 157.9 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2048 | S | 27.3 | Very low | 28.4 | Very low | 96.6 Ų | 96.6 | 136.3 Ų | 136.3 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | trans | -107.7 | 139 | 139.2 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2049 | D | 29.6 | Very low | 28.3 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 122.4 | 108.6 | 141.4 | -70.6 | -31.3 | 0 | 0 | 0 | 116.5 | ||||
| 2050 | A | 27.7 | Very low | 27.9 | Very low | 93.8 Ų | 93.8 | 137.3 Ų | 137.3 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | 119.7 | 122.7 | 105.2 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 2051 | K | 27.4 | Very low | 27.6 | Very low | 204.2 Ų | 204.2 | 134.6 Ų | 134.6 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -27 | 122.6 | 154.9 | -70.4 | 172.7 | 177.3 | 171 | 0 | 114.5 | ||||
| 2052 | S | 27.4 | Very low | 27.4 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -120.2 | 126.1 | 131.4 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2053 | S | 27 | Very low | 27.3 | Very low | 112.2 Ų | 112.2 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | 169.2 | 117.2 | 128.1 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2054 | S | 24.7 | Very low | 27.1 | Very low | 112.8 Ų | 112.8 | 131.8 Ų | 131.8 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | -140 | 137.4 | 147.8 | 58 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2055 | S | 24 | Very low | 27.2 | Very low | 115.6 Ų | 115.6 | 131.2 Ų | 131.2 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 5.8 | 130.1 | 154.3 | 56.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2056 | S | 26.5 | Very low | 26.9 | Very low | 110.6 Ų | 110.6 | 133.8 Ų | 133.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -153 | 120 | 139.4 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | T2058 | S2056-T2058 PolarHBondContact O-N 3.43Š| ||
| 2057 | T | 23.6 | Very low | 26.7 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -45.4 | 118.5 | 130.7 | -40.9 | 0 | 0 | 0 | 0 | 112.8 | Q2059 | T2057-Q2059 HydrophobicContact CG2-CG 4.27Š| ||
| 2058 | T | 24.2 | Very low | 26.5 | Very low | 116.6 Ų | 116.6 | 130.2 Ų | 130.2 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | 58.2 | 117.9 | 148 | 30.4 | 0 | 0 | 0 | 0 | 116.3 | S2056 E2060 | S2056-T2058 PolarHBondContact O-N 3.43Å; T2058-E2060 PolarHBondContact O-N 2.95Å | ||
| 2059 | Q | 26.7 | Very low | 26.5 | Very low | 181.2 Ų | 181.2 | 130.5 Ų | 130.5 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -136.5 | 122.1 | 145.2 | -81.7 | 174.4 | -29.8 | 0 | 0 | 112.4 | T2057 | T2057-Q2059 HydrophobicContact CG2-CG 4.27Š| ||
| 2060 | E | 24 | Very low | 26.5 | Very low | 174.2 Ų | 174.2 | 128.1 Ų | 128.1 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -119.9 | 135.8 | 139.1 | -86.6 | 171.7 | 174.1 | 0 | 0 | 106.8 | T2058 D2062 | T2058-E2060 PolarHBondContact O-N 2.95Å; E2060-D2062 VanDerWaalsContact C-N 3.34Å; E2060-D2062 PolarHBondContact O-N 3.12Å | ||
| 2061 | A | 27.6 | Very low | 26.6 | Very low | 94.4 Ų | 94.4 | 129.9 Ų | 129.9 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -170.5 | 104.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D2063 | A2061-D2063 PolarHBondContact O-N 3.43Š| ||
| 2062 | D | 27.5 | Very low | 26.8 | Very low | 150.8 Ų | 150.8 | 129.5 Ų | 129.5 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 121.5 | 149.5 | -69.7 | -30.7 | 0 | 0 | 0 | 113 | E2060 | E2060-D2062 VanDerWaalsContact C-N 3.34Å; E2060-D2062 PolarHBondContact O-N 3.12Å | ||
| 2063 | D | 29 | Very low | 27.1 | Very low | 161.8 Ų | 161.8 | 130.8 Ų | 130.8 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -160.4 | 109.5 | 143.9 | -85.8 | -25.2 | 0 | 0 | 0 | 114.4 | A2061 G2065 | A2061-D2063 PolarHBondContact O-N 3.43Å; D2063-G2065 VanDerWaalsContact C-N 3.3Å; D2063-G2065 PolarHBondContact O-N 3.25Å | ||
| 2064 | A | 28.1 | Very low | 27.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -82.1 | 92.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F2066 | A2064-F2066 PolarHBondContact O-N 3.43Š| ||
| 2065 | G | 27.7 | Very low | 28.2 | Very low | 67.6 Ų | 67.6 | 129.5 Ų | 129.5 | 70% | 0.697 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 101.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D2063 C2067 | D2063-G2065 VanDerWaalsContact C-N 3.3Å; D2063-G2065 PolarHBondContact O-N 3.25Å; G2065-C2067 VanDerWaalsContact C-N 3.34Å; G2065-C2067 PolarHBondContact O-N 3.12Å | ||
| 2066 | F | 25.3 | Very low | 29.3 | Very low | 206.8 Ų | 206.8 | 125.3 Ų | 125.3 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | -56.1 | 93.3 | 161.5 | -134.5 | -97.9 | 0 | 0 | 0 | 112.3 | A2064 S2068 | A2064-F2066 PolarHBondContact O-N 3.43Å; F2066-S2068 PolarHBondContact O-N 3.3Å; F2066-S2068 VanDerWaalsContact O-N 3.12Å | ||
| 2067 | C | 24.8 | Very low | 30.6 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | trans | -79.2 | 107 | 169.3 | -79.1 | 0 | 0 | 0 | 0 | 109.7 | G2065 A2069 | G2065-C2067 VanDerWaalsContact C-N 3.34Å; G2065-C2067 PolarHBondContact O-N 3.12Å; C2067-A2069 PolarHBondContact O-N 3.11Å | ||
| 2068 | S | 27.3 | Very low | 32.6 | Very low | 104.2 Ų | 104.2 | 123.3 Ų | 123.3 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | trans | -71.3 | 124.4 | 165.6 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | F2066 S2070 | F2066-S2068 PolarHBondContact O-N 3.3Å; F2066-S2068 VanDerWaalsContact O-N 3.12Å; S2068-S2070 PolarHBondContact O-N 3.01Å | ||
| 2069 | A | 26.9 | Very low | 35 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | trans | -66.2 | 99.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C2067 T2071 | C2067-A2069 PolarHBondContact O-N 3.11Å; A2069-T2071 PolarHBondContact O-N 3.34Å | ||
| 2070 | S | 29 | Very low | 37.5 | Very low | 103.6 Ų | 103.6 | 114.1 Ų | 114.1 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | -82.8 | 120.3 | 158.5 | 52.7 | 0 | 0 | 0 | 0 | 107.6 | S2068 K2072 | S2068-S2070 PolarHBondContact O-N 3.01Å; S2070-K2072 PolarHBondContact O-N 3.22Å; S2070-K2072 VanDerWaalsContact O-N 3.12Å | ||
| 2071 | T | 30.5 | Very low | 40.4 | Very low | 132 Ų | 132 | 107.9 Ų | 107.9 | 81% | 0.81 | 66% | 0.662 | S | S | * | * | trans | -28.2 | 109.5 | 163.2 | 41.7 | 0 | 0 | 0 | 0 | 111.2 | A2069 D2073 | A2069-T2071 PolarHBondContact O-N 3.34Å; T2071-D2073 PolarHBondContact O-N 3.28Å | ||
| 2072 | K | 30.9 | Very low | 43.1 | Very low | 196.6 Ų | 196.6 | 103.7 Ų | 103.7 | 86% | 0.855 | 63% | 0.628 | S | S | * | * | trans | -62.8 | 111.9 | 170.9 | -73 | 179.8 | 175.1 | -179.9 | 0 | 107.5 | S2070 D2074 | S2070-K2072 PolarHBondContact O-N 3.22Å; S2070-K2072 VanDerWaalsContact O-N 3.12Å; K2072-D2074 PolarHBondContact O-N 3.05Å; K2072-D2074 VanDerWaalsContact O-N 3.12Å | ||
| 2073 | D | 33.6 | Very low | 45.8 | Very low | 139 Ų | 139 | 99.2 Ų | 99.2 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | trans | -58.2 | 118.6 | 168.9 | -100.4 | -25.3 | 0 | 0 | 0 | 108.4 | T2071 G2075 R2138 | T2071-D2073 PolarHBondContact O-N 3.28Å; D2073-G2075 PolarHBondContact O-N 3.13Å; D2073-R2138 VanDerWaalsContact CG-NH2 3.35Å; D2073-R2138 IonicContact OD1-CZ 2.76Å; D2073-R2138 IonicContact OD1-NH1 4Å; D2073-R2138 IonicContact OD1-NH2 3.97Å; D2073-R2138 PolarHBondContact OD1-NH2 2.85Å; D2073-R2138 IonicContact OD2-CZ 3.68Å; D2073-R2138 IonicContact OD2-NH1 3.95Å; D2073-R2138 PolarHBondContact OD2-NH1 2.72Å; D2073-R2138 IonicContact OD2-NH2 3.26Å; D2073-R2138 PolarHBondContact OD2-NH2 2.69Å | ||
| 2074 | D | 36.7 | Very low | 48.6 | Very low | 137 Ų | 137 | 94.8 Ų | 94.8 | 73% | 0.733 | 58% | 0.578 | S | S | * | * | trans | -71.2 | 67.7 | 169.5 | -78.2 | -30.3 | 0 | 0 | 0 | 109.5 | K2072 G2076 | K2072-D2074 PolarHBondContact O-N 3.05Å; K2072-D2074 VanDerWaalsContact O-N 3.12Å; D2074-G2076 VanDerWaalsContact C-N 3.32Å; D2074-G2076 PolarHBondContact O-N 3Å | ||
| 2075 | G | 38.2 | Very low | 51.5 | Low | 60.8 Ų | 60.8 | 90.6 Ų | 90.6 | 63% | 0.627 | 54% | 0.54 | S | S | * | . | trans | -70.4 | 72.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | D2073 Q2077 | D2073-G2075 PolarHBondContact O-N 3.13Å; G2075-Q2077 PolarHBondContact O-N 2.92Å; G2075-Q2077 VanDerWaalsContact O-N 3.07Å | ||
| 2076 | G | 47.6 | Very low | 54.4 | Low | 27.8 Ų | 27.8 | 88.7 Ų | 88.7 | 29% | 0.287 | 51% | 0.512 | S | S | . | . | trans | -56.8 | 123.4 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | D2074 F2078 | D2074-G2076 VanDerWaalsContact C-N 3.32Å; D2074-G2076 PolarHBondContact O-N 3Å; G2076-F2078 VanDerWaalsContact O-CD2 3.22Å; G2076-F2078 WeakPolarHBondContact O-CD2 3.35Å; G2076-F2078 VanDerWaalsContact O-CE2 3.28Å; G2076-F2078 WeakPolarHBondContact O-CE2 3.26Å; G2076-F2078 PolarHBondContact O-N 3.23Å | ||
| 2077 | Q | 54.5 | Low | 57.4 | Low | 123 Ų | 123 | 82.1 Ų | 82.1 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | trans | -62.7 | 109.4 | 175.8 | -121.5 | 176.6 | 3.8 | 0 | 0 | 108.6 | P1959 G2075 | P1959-Q2077 HydrophobicContact CB-CB 4.16Å; P1959-Q2077 WeakPolarHBondContact CB-O 3.18Å; P1959-Q2077 WeakPolarHBondContact CD-O 3.41Å; P1959-Q2077 HydrophobicContact CG-CB 4.09Å; P1959-Q2077 WeakPolarHBondContact CG-O 3.39Å; G2075-Q2077 PolarHBondContact O-N 2.92Å; G2075-Q2077 VanDerWaalsContact O-N 3.07Å | ||
| 2078 | F | 63.6 | Low | 60.5 | Low | 72.2 Ų | 72.2 | 78.6 Ų | 78.6 | 32% | 0.317 | 46% | 0.458 | S | S | . | . | trans | -91.7 | 146.1 | 179.4 | -65.8 | -78.8 | 0 | 0 | 0 | 110.6 | G2076 V2080 Q2083 D2132 | G2076-F2078 VanDerWaalsContact O-CD2 3.22Å; G2076-F2078 WeakPolarHBondContact O-CD2 3.35Å; G2076-F2078 VanDerWaalsContact O-CE2 3.28Å; G2076-F2078 WeakPolarHBondContact O-CE2 3.26Å; G2076-F2078 PolarHBondContact O-N 3.23Å; F2078-V2080 PolarHBondContact O-N 3.03Å; F2078-V2080 VanDerWaalsContact O-N 3.08Å; F2078-Q2083 HydrophobicContact CB-CG 4.47Å; F2078-Q2083 VanDerWaalsContact CD1-NE2 3.31Å; F2078-Q2083 VanDerWaalsContact CG-NE2 3.34Å; F2078-D2132 HydrophobicContact CE1-CB 4.2Å; F2078-D2132 WeakPolarHBondContact CE1-OD2 3.22Å | ||
| 2079 | D | 75 | Confident | 63.6 | Low | 31.8 Ų | 31.8 | 73.6 Ų | 73.6 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | trans | -78.4 | 100.3 | 170.2 | -154.7 | -38.3 | 0 | 0 | 0 | 109.2 | R1930 F1934 L1956 I2081 A2082 Q2083 | R1930-D2079 IonicContact CZ-OD1 2.7Å; R1930-D2079 IonicContact CZ-OD2 3.59Å; R1930-D2079 IonicContact NE-OD2 3.53Å; R1930-D2079 PolarHBondContact NE-OD2 2.84Å; R1930-D2079 IonicContact NH1-OD1 3.74Å; R1930-D2079 IonicContact NH1-OD2 2.96Å; R1930-D2079 PolarHBondContact NH1-OD2 3.11Å; R1930-D2079 VanDerWaalsContact NH1-OD2 3.1Å; R1930-D2079 IonicContact NH2-OD1 2.89Å; R1930-D2079 PolarHBondContact NH2-OD1 3.34Å; R1930-D2079 IonicContact NH2-OD2 3.33Å; R1930-D2079 PolarHBondContact NH2-OD2 2.89Å; F1934-D2079 VanDerWaalsContact CZ-OD1 3.29Å; F1934-D2079 WeakPolarHBondContact CZ-OD1 3.39Å; F1934-D2079 WeakPolarHBondContact CZ-OD2 3.32Å; L1956-D2079 HydrophobicContact CD2-CB 4.45Å; D2079-I2081 VanDerWaalsContact C-N 3.27Å; D2079-I2081 PolarHBondContact O-N 3.16Å; D2079-I2081 PolarHBondContact OD1-N 3.4Å; D2079-I2081 VanDerWaalsContact OD1-N 3.12Å; D2079-A2082 HydrophobicContact CB-CB 3.8Å; D2079-A2082 WeakPolarHBondContact O-CA 3.43Å; D2079-A2082 WeakPolarHBondContact O-CB 3.22Å; D2079-A2082 PolarHBondContact O-N 3.08Å; D2079-A2082 VanDerWaalsContact O-N 3.11Å; D2079-A2082 PolarHBondContact OD1-N 3.2Å; D2079-A2082 VanDerWaalsContact OD1-N 3.12Å; D2079-Q2083 WeakPolarHBondContact O-CG 3.45Å; D2079-Q2083 PolarHBondContact O-N 3.08Å | ||
| 2080 | V | 80.6 | Confident | 66.6 | Low | 71.6 Ų | 71.6 | 69 Ų | 69 | 43% | 0.434 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.5 | -39.9 | -177.2 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | I2014 F2078 A2082 Q2083 I2084 | I2014-V2080 HydrophobicContact CD1-CG1 4.09Å; I2014-V2080 HydrophobicContact CD1-CG2 4.38Å; I2014-V2080 HydrophobicContact CG1-CG2 4.32Å; F2078-V2080 PolarHBondContact O-N 3.03Å; F2078-V2080 VanDerWaalsContact O-N 3.08Å; V2080-A2082 VanDerWaalsContact C-N 3.33Å; V2080-A2082 PolarHBondContact O-N 3.44Å; V2080-Q2083 PolarHBondContact O-N 3.39Å; V2080-I2084 HydrophobicContact CG1-CD1 3.83Å; V2080-I2084 HydrophobicContact CG1-CG1 4.44Å; V2080-I2084 VanDerWaalsContact O-CG1 3.25Å; V2080-I2084 WeakPolarHBondContact O-CG1 3.28Å; V2080-I2084 PolarHBondContact O-N 3.06Å |
| 2081 | I | 83.3 | Confident | 69.6 | Low | 44.4 Ų | 44.4 | 65.2 Ų | 65.2 | 23% | 0.228 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | -179.8 | -60.3 | 174.7 | 0 | 0 | 0 | 110.3 | F1934 W2010 L2022 F2026 D2079 Q2083 I2084 L2085 | F1934-I2081 HydrophobicContact CD1-CG2 4.02Å; F1934-I2081 HydrophobicContact CD2-CG2 4.18Å; F1934-I2081 HydrophobicContact CE1-CB 4.19Å; F1934-I2081 HydrophobicContact CE1-CG2 3.82Å; F1934-I2081 HydrophobicContact CE2-CB 4.32Å; F1934-I2081 HydrophobicContact CE2-CG2 4.25Å; F1934-I2081 HydrophobicContact CG-CG2 4.04Å; F1934-I2081 HydrophobicContact CZ-CB 4.09Å; F1934-I2081 HydrophobicContact CZ-CG2 4.11Å; W2010-I2081 HydrophobicContact CE3-CD1 4.12Å; W2010-I2081 HydrophobicContact CH2-CD1 4.25Å; W2010-I2081 HydrophobicContact CZ3-CD1 3.64Å; L2022-I2081 HydrophobicContact CD2-CD1 4.38Å; L2022-I2081 HydrophobicContact CD2-CG1 4.39Å; F2026-I2081 HydrophobicContact CE1-CD1 4.29Å; F2026-I2081 HydrophobicContact CZ-CD1 3.7Å; D2079-I2081 VanDerWaalsContact C-N 3.27Å; D2079-I2081 PolarHBondContact O-N 3.16Å; D2079-I2081 PolarHBondContact OD1-N 3.4Å; D2079-I2081 VanDerWaalsContact OD1-N 3.12Å; I2081-Q2083 VanDerWaalsContact C-N 3.31Å; I2081-Q2083 PolarHBondContact O-N 3.11Å; I2081-I2084 PolarHBondContact O-N 3.1Å; I2081-L2085 HydrophobicContact CG2-CD1 4.16Å; I2081-L2085 HydrophobicContact CG2-CG 4.46Å; I2081-L2085 WeakPolarHBondContact O-CB 3.43Å; I2081-L2085 WeakPolarHBondContact O-CG 3.43Å; I2081-L2085 PolarHBondContact O-N 3.1Å |
| 2082 | A | 84.9 | Confident | 72.4 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1934 L1953 L1956 D2079 V2080 L2085 K2086 | F1934-A2082 HydrophobicContact CE1-CB 3.9Å; F1934-A2082 HydrophobicContact CZ-CB 4.09Å; L1953-A2082 HydrophobicContact CD2-CB 4.39Å; L1956-A2082 HydrophobicContact CD1-CB 3.82Å; L1956-A2082 HydrophobicContact CD2-CB 3.98Å; D2079-A2082 HydrophobicContact CB-CB 3.8Å; D2079-A2082 WeakPolarHBondContact O-CA 3.43Å; D2079-A2082 WeakPolarHBondContact O-CB 3.22Å; D2079-A2082 PolarHBondContact O-N 3.08Å; D2079-A2082 VanDerWaalsContact O-N 3.11Å; D2079-A2082 PolarHBondContact OD1-N 3.2Å; D2079-A2082 VanDerWaalsContact OD1-N 3.12Å; V2080-A2082 VanDerWaalsContact C-N 3.33Å; V2080-A2082 PolarHBondContact O-N 3.44Å; A2082-L2085 PolarHBondContact O-N 3.1Å; A2082-K2086 VanDerWaalsContact O-CB 3.26Å; A2082-K2086 WeakPolarHBondContact O-CB 3.35Å; A2082-K2086 VanDerWaalsContact O-CG 3.24Å; A2082-K2086 WeakPolarHBondContact O-CG 3.45Å; A2082-K2086 PolarHBondContact O-N 3.09Å |
| 2083 | Q | 84.8 | Confident | 75.3 | Confident | 55.4 Ų | 55.4 | 53.8 Ų | 53.8 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.4 | -73.9 | 179.5 | -27.7 | 0 | 0 | 112.2 | F2078 D2079 V2080 I2081 L2085 K2086 L2087 | F2078-Q2083 HydrophobicContact CB-CG 4.47Å; F2078-Q2083 VanDerWaalsContact CD1-NE2 3.31Å; F2078-Q2083 VanDerWaalsContact CG-NE2 3.34Å; D2079-Q2083 WeakPolarHBondContact O-CG 3.45Å; D2079-Q2083 PolarHBondContact O-N 3.08Å; V2080-Q2083 PolarHBondContact O-N 3.39Å; I2081-Q2083 VanDerWaalsContact C-N 3.31Å; I2081-Q2083 PolarHBondContact O-N 3.11Å; Q2083-L2085 VanDerWaalsContact C-N 3.34Å; Q2083-L2085 PolarHBondContact O-N 2.95Å; Q2083-K2086 PolarHBondContact O-N 3.17Å; Q2083-L2087 VanDerWaalsContact O-CB 3.3Å; Q2083-L2087 WeakPolarHBondContact O-CB 3.29Å; Q2083-L2087 PolarHBondContact O-N 3.03Å |
| 2084 | I | 87.5 | Confident | 78 | Confident | 71 Ų | 71 | 47.4 Ų | 47.4 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 176.4 | -70.5 | 166.9 | 0 | 0 | 0 | 110.5 | L2022 V2080 I2081 K2086 L2087 I2088 | L2022-I2084 HydrophobicContact CD1-CD1 4.06Å; V2080-I2084 HydrophobicContact CG1-CD1 3.83Å; V2080-I2084 HydrophobicContact CG1-CG1 4.44Å; V2080-I2084 VanDerWaalsContact O-CG1 3.25Å; V2080-I2084 WeakPolarHBondContact O-CG1 3.28Å; V2080-I2084 PolarHBondContact O-N 3.06Å; I2081-I2084 PolarHBondContact O-N 3.1Å; I2084-K2086 VanDerWaalsContact C-N 3.34Å; I2084-K2086 PolarHBondContact O-N 3.09Å; I2084-L2087 PolarHBondContact O-N 3.12Å; I2084-I2088 HydrophobicContact CG2-CD1 3.7Å; I2084-I2088 HydrophobicContact CG2-CG1 4.4Å; I2084-I2088 VanDerWaalsContact O-CG1 3.27Å; I2084-I2088 WeakPolarHBondContact O-CG1 3.3Å; I2084-I2088 PolarHBondContact O-N 3.33Å |
| 2085 | L | 88.5 | Confident | 80.6 | Confident | 16.8 Ų | 16.8 | 41.9 Ų | 41.9 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -37.5 | -179.9 | -71.5 | 175 | 0 | 0 | 0 | 112.6 | F1934 L1941 L1953 I2081 A2082 Q2083 I2088 S2089 | F1934-L2085 HydrophobicContact CB-CD1 4.44Å; F1934-L2085 HydrophobicContact CD1-CD1 3.75Å; F1934-L2085 HydrophobicContact CE1-CD1 4.02Å; F1934-L2085 HydrophobicContact CG-CD1 4.46Å; L1941-L2085 HydrophobicContact CD1-CD2 3.98Å; L1941-L2085 HydrophobicContact CD2-CD2 4.08Å; L1953-L2085 HydrophobicContact CD1-CB 3.55Å; L1953-L2085 HydrophobicContact CD1-CD1 4.49Å; L1953-L2085 HydrophobicContact CD2-CB 4.48Å; L1953-L2085 HydrophobicContact CD2-CD1 4.4Å; I2081-L2085 HydrophobicContact CG2-CD1 4.16Å; I2081-L2085 HydrophobicContact CG2-CG 4.46Å; I2081-L2085 WeakPolarHBondContact O-CB 3.43Å; I2081-L2085 WeakPolarHBondContact O-CG 3.43Å; I2081-L2085 PolarHBondContact O-N 3.1Å; A2082-L2085 PolarHBondContact O-N 3.1Å; Q2083-L2085 VanDerWaalsContact C-N 3.34Å; Q2083-L2085 PolarHBondContact O-N 2.95Å; L2085-I2088 HydrophobicContact CD2-CD1 4.5Å; L2085-I2088 PolarHBondContact O-N 2.79Å; L2085-S2089 WeakPolarHBondContact O-CB 3.31Å; L2085-S2089 PolarHBondContact O-N 3.14Å; L2085-S2089 PolarHBondContact O-OG 3.03Å |
| 2086 | K | 89.5 | Confident | 83 | Confident | 28.4 Ų | 28.4 | 43.2 Ų | 43.2 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 172.6 | -76.3 | 175.9 | 176.6 | -170 | 0 | 110.8 | L1953 A2082 Q2083 I2084 I2088 S2089 C2090 L2130 | L1953-K2086 VanDerWaalsContact C-CE 3.48Å; L1953-K2086 HydrophobicContact CB-CD 4.37Å; L1953-K2086 HydrophobicContact CB-CG 3.82Å; L1953-K2086 HydrophobicContact CD1-CG 3.82Å; L1953-K2086 HydrophobicContact CG-CG 4.44Å; L1953-K2086 VanDerWaalsContact O-CE 3.25Å; L1953-K2086 WeakPolarHBondContact O-CE 3.43Å; A2082-K2086 VanDerWaalsContact O-CB 3.26Å; A2082-K2086 WeakPolarHBondContact O-CB 3.35Å; A2082-K2086 VanDerWaalsContact O-CG 3.24Å; A2082-K2086 WeakPolarHBondContact O-CG 3.45Å; A2082-K2086 PolarHBondContact O-N 3.09Å; Q2083-K2086 PolarHBondContact O-N 3.17Å; I2084-K2086 VanDerWaalsContact C-N 3.34Å; I2084-K2086 PolarHBondContact O-N 3.09Å; K2086-I2088 PolarHBondContact O-N 3.17Å; K2086-S2089 WeakPolarHBondContact O-CA 3.45Å; K2086-S2089 WeakPolarHBondContact O-CB 3.32Å; K2086-S2089 PolarHBondContact O-N 3.01Å; K2086-S2089 VanDerWaalsContact O-N 3.13Å; K2086-C2090 WeakPolarHBondContact O-CB 3.43Å; K2086-C2090 PolarHBondContact O-N 3.16Å; K2086-C2090 PolarHBondContact O-SG 3.22Å; K2086-C2090 VanDerWaalsContact O-SG 3.4Å; K2086-L2130 WeakPolarHBondContact CD-O 3.38Å; K2086-L2130 PolarHBondContact NZ-O 3.39Å |
| 2087 | L | 88.8 | Confident | 85 | Confident | 69.4 Ų | 69.4 | 43.6 Ų | 43.6 | 36% | 0.363 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 178.2 | -178.5 | 63.1 | 0 | 0 | 0 | 111.5 | Q2083 I2084 S2089 C2090 M2091 L2127 | Q2083-L2087 VanDerWaalsContact O-CB 3.3Å; Q2083-L2087 WeakPolarHBondContact O-CB 3.29Å; Q2083-L2087 PolarHBondContact O-N 3.03Å; I2084-L2087 PolarHBondContact O-N 3.12Å; L2087-S2089 VanDerWaalsContact C-N 3.29Å; L2087-S2089 PolarHBondContact O-N 3.31Å; L2087-C2090 PolarHBondContact O-N 3.28Å; L2087-M2091 HydrophobicContact CD1-CE 3.91Å; L2087-M2091 HydrophobicContact CD1-CG 4.2Å; L2087-M2091 HydrophobicContact CG-CG 4.38Å; L2087-M2091 WeakPolarHBondContact O-CB 3.32Å; L2087-M2091 VanDerWaalsContact O-CG 3.29Å; L2087-M2091 WeakPolarHBondContact O-CG 3.42Å; L2087-M2091 PolarHBondContact O-N 3.05Å; L2087-L2127 HydrophobicContact CD1-CD1 3.95Å; L2087-L2127 HydrophobicContact CD1-CD2 4.38Å |
| 2088 | I | 90 | Very high | 86.7 | Confident | 55.6 Ų | 55.6 | 37.8 Ų | 37.8 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 175.4 | -68.7 | 166.9 | 0 | 0 | 0 | 110.7 | L1941 L2028 I2084 L2085 K2086 M2091 K2092 | L1941-I2088 HydrophobicContact CD2-CG2 4.19Å; L2028-I2088 HydrophobicContact CD2-CD1 4.33Å; I2084-I2088 HydrophobicContact CG2-CD1 3.7Å; I2084-I2088 HydrophobicContact CG2-CG1 4.4Å; I2084-I2088 VanDerWaalsContact O-CG1 3.27Å; I2084-I2088 WeakPolarHBondContact O-CG1 3.3Å; I2084-I2088 PolarHBondContact O-N 3.33Å; L2085-I2088 HydrophobicContact CD2-CD1 4.5Å; L2085-I2088 PolarHBondContact O-N 2.79Å; K2086-I2088 PolarHBondContact O-N 3.17Å; I2088-M2091 PolarHBondContact O-N 3.1Å; I2088-K2092 WeakPolarHBondContact O-CG 3.3Å; I2088-K2092 PolarHBondContact O-N 3.18Å; I2088-K2092 VanDerWaalsContact O-N 3.08Å |
| 2089 | S | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | L1941 I1950 L2085 K2086 L2087 K2092 I2093 | L1941-S2089 WeakPolarHBondContact CD2-OG 3.21Å; I1950-S2089 VanDerWaalsContact CG1-CB 3.45Å; L2085-S2089 WeakPolarHBondContact O-CB 3.31Å; L2085-S2089 PolarHBondContact O-N 3.14Å; L2085-S2089 PolarHBondContact O-OG 3.03Å; K2086-S2089 WeakPolarHBondContact O-CA 3.45Å; K2086-S2089 WeakPolarHBondContact O-CB 3.32Å; K2086-S2089 PolarHBondContact O-N 3.01Å; K2086-S2089 VanDerWaalsContact O-N 3.13Å; L2087-S2089 VanDerWaalsContact C-N 3.29Å; L2087-S2089 PolarHBondContact O-N 3.31Å; S2089-K2092 PolarHBondContact O-N 3.15Å; S2089-I2093 WeakPolarHBondContact O-CG1 3.25Å; S2089-I2093 PolarHBondContact O-N 3.15Å |
| 2090 | C | 91.5 | Very high | 88.2 | Confident | 4.6 Ų | 4.6 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.3 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | K2086 L2087 K2092 I2093 L2094 L2127 C2131 | K2086-C2090 WeakPolarHBondContact O-CB 3.43Å; K2086-C2090 PolarHBondContact O-N 3.16Å; K2086-C2090 PolarHBondContact O-SG 3.22Å; K2086-C2090 VanDerWaalsContact O-SG 3.4Å; L2087-C2090 PolarHBondContact O-N 3.28Å; C2090-K2092 VanDerWaalsContact C-N 3.33Å; C2090-K2092 PolarHBondContact O-N 3.3Å; C2090-I2093 PolarHBondContact O-N 3.08Å; C2090-I2093 VanDerWaalsContact O-N 3.14Å; C2090-L2094 VanDerWaalsContact O-CG 3.3Å; C2090-L2094 WeakPolarHBondContact O-CG 3.26Å; C2090-L2094 PolarHBondContact O-N 3.09Å; C2090-L2127 HydrophobicContact CB-CD1 3.73Å; C2090-C2131 PolarHBondContact SG-SG 3.5Å; C2090-C2131 VanDerWaalsContact SG-SG 3.65Å |
| 2091 | M | 90.6 | Very high | 88.3 | Confident | 25.4 Ų | 25.4 | 33.1 Ų | 33.1 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 178.7 | -73.2 | -54.2 | -48.2 | 0 | 0 | 112.3 | L2087 I2088 I2093 L2094 T2095 L2127 V2196 T2199 L2200 | L2087-M2091 HydrophobicContact CD1-CE 3.91Å; L2087-M2091 HydrophobicContact CD1-CG 4.2Å; L2087-M2091 HydrophobicContact CG-CG 4.38Å; L2087-M2091 WeakPolarHBondContact O-CB 3.32Å; L2087-M2091 VanDerWaalsContact O-CG 3.29Å; L2087-M2091 WeakPolarHBondContact O-CG 3.42Å; L2087-M2091 PolarHBondContact O-N 3.05Å; I2088-M2091 PolarHBondContact O-N 3.1Å; M2091-I2093 VanDerWaalsContact C-N 3.32Å; M2091-I2093 PolarHBondContact O-N 3.17Å; M2091-L2094 HydrophobicContact CE-CD1 3.42Å; M2091-L2094 VanDerWaalsContact CE-CD1 3.42Å; M2091-L2094 PolarHBondContact O-N 3.17Å; M2091-L2094 HydrophobicContact SD-CD1 4.04Å; M2091-T2095 HydrophobicContact CE-CG2 4.24Å; M2091-T2095 WeakPolarHBondContact O-CB 3.5Å; M2091-T2095 WeakPolarHBondContact O-CG2 3.35Å; M2091-T2095 PolarHBondContact O-N 3.1Å; M2091-T2095 PolarHBondContact O-OG1 3.24Å; M2091-T2095 VanDerWaalsContact O-OG1 3.08Å; M2091-L2127 HydrophobicContact CE-CD1 3.74Å; M2091-L2127 HydrophobicContact CE-CD2 3.77Å; M2091-L2127 HydrophobicContact CE-CG 4.44Å; M2091-V2196 HydrophobicContact CE-CG1 4.26Å; M2091-V2196 HydrophobicContact SD-CG1 4.15Å; M2091-T2199 HydrophobicContact CE-CG2 3.68Å; M2091-L2200 HydrophobicContact CE-CD2 4Å; M2091-L2200 HydrophobicContact CE-CG 4.37Å |
| 2092 | K | 90 | Very high | 88.3 | Confident | 65.8 Ų | 65.8 | 31.1 Ų | 31.1 | 29% | 0.286 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60 | -42.8 | 174.1 | -77 | -171.9 | 173.9 | -152.2 | 0 | 112.3 | L1371 L1941 P1946 I2088 S2089 C2090 T2095 E2096 | L1371-K2092 HydrophobicContact CD1-CB 3.91Å; L1371-K2092 WeakPolarHBondContact CD1-O 3.32Å; L1371-K2092 HydrophobicContact CD2-CB 4.35Å; L1371-K2092 HydrophobicContact CD2-CD 4.14Å; L1941-K2092 HydrophobicContact CD1-CD 4.01Å; L1941-K2092 HydrophobicContact CD2-CD 4.26Å; L1941-K2092 PolarHBondContact O-NZ 3.06Å; P1946-K2092 HydrophobicContact CB-CB 4.49Å; P1946-K2092 HydrophobicContact CG-CB 4.49Å; I2088-K2092 WeakPolarHBondContact O-CG 3.3Å; I2088-K2092 PolarHBondContact O-N 3.18Å; I2088-K2092 VanDerWaalsContact O-N 3.08Å; S2089-K2092 PolarHBondContact O-N 3.15Å; C2090-K2092 VanDerWaalsContact C-N 3.33Å; C2090-K2092 PolarHBondContact O-N 3.3Å; K2092-T2095 WeakPolarHBondContact CA-OG1 3.43Å; K2092-T2095 PolarHBondContact O-N 3.14Å; K2092-T2095 PolarHBondContact O-OG1 3.1Å; K2092-T2095 VanDerWaalsContact O-OG1 3.04Å; K2092-E2096 WeakPolarHBondContact O-CG 3.38Å; K2092-E2096 PolarHBondContact O-N 3.1Å; K2092-E2096 VanDerWaalsContact O-N 3.14Å |
| 2093 | I | 91 | Very high | 87.9 | Confident | 23.8 Ų | 23.8 | 33.7 Ų | 33.7 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 176.9 | -62.6 | 168.2 | 0 | 0 | 0 | 109.7 | L1462 P1946 L1947 I1950 S2089 C2090 M2091 T2095 E2096 E2097 | L1462-I2093 HydrophobicContact CD1-CB 4.08Å; L1462-I2093 HydrophobicContact CD1-CD1 4.27Å; L1462-I2093 HydrophobicContact CD1-CG2 3.78Å; L1462-I2093 HydrophobicContact CD2-CD1 3.81Å; L1462-I2093 HydrophobicContact CD2-CG2 3.98Å; L1462-I2093 HydrophobicContact CG-CB 4.41Å; L1462-I2093 HydrophobicContact CG-CD1 4.43Å; L1462-I2093 HydrophobicContact CG-CG2 3.61Å; P1946-I2093 HydrophobicContact CB-CD1 4.1Å; P1946-I2093 HydrophobicContact CB-CG1 4.01Å; P1946-I2093 HydrophobicContact CG-CD1 4.02Å; P1946-I2093 HydrophobicContact CG-CG1 3.57Å; L1947-I2093 HydrophobicContact CB-CD1 4.43Å; I1950-I2093 HydrophobicContact CD1-CD1 3.8Å; S2089-I2093 WeakPolarHBondContact O-CG1 3.25Å; S2089-I2093 PolarHBondContact O-N 3.15Å; C2090-I2093 PolarHBondContact O-N 3.08Å; C2090-I2093 VanDerWaalsContact O-N 3.14Å; M2091-I2093 VanDerWaalsContact C-N 3.32Å; M2091-I2093 PolarHBondContact O-N 3.17Å; I2093-T2095 VanDerWaalsContact C-N 3.3Å; I2093-T2095 PolarHBondContact O-N 3.26Å; I2093-E2096 PolarHBondContact O-N 3.16Å; I2093-E2096 VanDerWaalsContact O-N 3.11Å; I2093-E2097 HydrophobicContact CG2-CG 4.02Å; I2093-E2097 WeakPolarHBondContact O-CB 3.22Å; I2093-E2097 VanDerWaalsContact O-CG 3.26Å; I2093-E2097 WeakPolarHBondContact O-CG 3.31Å; I2093-E2097 PolarHBondContact O-N 3.21Å |
| 2094 | L | 92 | Very high | 87.3 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | 179.1 | -68.7 | 175.2 | 0 | 0 | 0 | 113.2 | C2090 M2091 E2097 L2098 W2119 E2123 M2124 L2200 | C2090-L2094 VanDerWaalsContact O-CG 3.3Å; C2090-L2094 WeakPolarHBondContact O-CG 3.26Å; C2090-L2094 PolarHBondContact O-N 3.09Å; M2091-L2094 HydrophobicContact CE-CD1 3.42Å; M2091-L2094 VanDerWaalsContact CE-CD1 3.42Å; M2091-L2094 PolarHBondContact O-N 3.17Å; M2091-L2094 HydrophobicContact SD-CD1 4.04Å; L2094-E2097 PolarHBondContact O-N 3.15Å; L2094-L2098 VanDerWaalsContact O-CB 3.25Å; L2094-L2098 WeakPolarHBondContact O-CB 3.26Å; L2094-L2098 PolarHBondContact O-N 3.24Å; L2094-W2119 HydrophobicContact CB-CH2 4.39Å; L2094-W2119 HydrophobicContact CB-CZ2 4.42Å; L2094-W2119 HydrophobicContact CD2-CH2 4.26Å; L2094-W2119 HydrophobicContact CD2-CZ2 3.94Å; L2094-W2119 WeakPolarHBondContact O-CZ2 3.29Å; L2094-E2123 HydrophobicContact CD2-CB 3.55Å; L2094-E2123 HydrophobicContact CD2-CG 3.56Å; L2094-E2123 VanDerWaalsContact CD2-OE2 3.26Å; L2094-E2123 WeakPolarHBondContact CD2-OE2 3.44Å; L2094-M2124 HydrophobicContact CD1-CE 4.4Å; L2094-L2200 HydrophobicContact CB-CD2 4.41Å |
| 2095 | T | 90.2 | Very high | 86.4 | Confident | 21.4 Ų | 21.4 | 32.7 Ų | 32.7 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.2 | -35.8 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | M2091 K2092 I2093 A2099 L2200 F2203 | M2091-T2095 HydrophobicContact CE-CG2 4.24Å; M2091-T2095 WeakPolarHBondContact O-CB 3.5Å; M2091-T2095 WeakPolarHBondContact O-CG2 3.35Å; M2091-T2095 PolarHBondContact O-N 3.1Å; M2091-T2095 PolarHBondContact O-OG1 3.24Å; M2091-T2095 VanDerWaalsContact O-OG1 3.08Å; K2092-T2095 WeakPolarHBondContact CA-OG1 3.43Å; K2092-T2095 PolarHBondContact O-N 3.14Å; K2092-T2095 PolarHBondContact O-OG1 3.1Å; K2092-T2095 VanDerWaalsContact O-OG1 3.04Å; I2093-T2095 VanDerWaalsContact C-N 3.3Å; I2093-T2095 PolarHBondContact O-N 3.26Å; T2095-A2099 WeakPolarHBondContact O-CB 3.28Å; T2095-A2099 PolarHBondContact O-N 3.27Å; T2095-L2200 HydrophobicContact CG2-CD2 4.35Å; T2095-F2203 HydrophobicContact CG2-CB 4.15Å; T2095-F2203 HydrophobicContact CG2-CD1 4.04Å; T2095-F2203 HydrophobicContact CG2-CD2 3.68Å; T2095-F2203 HydrophobicContact CG2-CE1 4.37Å; T2095-F2203 HydrophobicContact CG2-CE2 4.05Å; T2095-F2203 HydrophobicContact CG2-CG 3.67Å; T2095-F2203 HydrophobicContact CG2-CZ 4.38Å; T2095-F2203 WeakPolarHBondContact O-CE1 3.33Å; T2095-F2203 WeakPolarHBondContact O-CZ 3.37Å |
| 2096 | E | 88.2 | Confident | 85.1 | Confident | 89 Ų | 89 | 37.9 Ų | 37.9 | 42% | 0.416 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71 | -45.2 | 174.1 | -81.4 | -144.3 | 171.2 | 0 | 0 | 111 | R1366 L1371 K2092 I2093 L2098 A2099 C2100 | R1366-E2096 IonicContact CZ-OE1 3.67Å; R1366-E2096 IonicContact CZ-OE2 2.89Å; R1366-E2096 IonicContact NE-OE1 3.72Å; R1366-E2096 PolarHBondContact NE-OE1 2.84Å; R1366-E2096 IonicContact NH2-OE1 3.76Å; R1366-E2096 PolarHBondContact NH2-OE1 2.98Å; R1366-E2096 IonicContact NH2-OE2 2.83Å; R1366-E2096 PolarHBondContact NH2-OE2 3.24Å; L1371-E2096 HydrophobicContact CB-CG 4.36Å; L1371-E2096 HydrophobicContact CD1-CB 4.36Å; L1371-E2096 HydrophobicContact CD1-CG 3.38Å; L1371-E2096 HydrophobicContact CG-CG 4.16Å; K2092-E2096 WeakPolarHBondContact O-CG 3.38Å; K2092-E2096 PolarHBondContact O-N 3.1Å; K2092-E2096 VanDerWaalsContact O-N 3.14Å; I2093-E2096 PolarHBondContact O-N 3.16Å; I2093-E2096 VanDerWaalsContact O-N 3.11Å; E2096-L2098 VanDerWaalsContact C-N 3.32Å; E2096-L2098 PolarHBondContact O-N 3.37Å; E2096-A2099 WeakPolarHBondContact O-CB 3.48Å; E2096-A2099 PolarHBondContact O-N 3.15Å; E2096-C2100 PolarHBondContact O-N 3.2Å; E2096-C2100 VanDerWaalsContact O-N 3.11Å; E2096-C2100 PolarHBondContact O-SG 3.26Å; E2096-C2100 VanDerWaalsContact O-SG 3.41Å |
| 2097 | E | 89.6 | Confident | 83.7 | Confident | 36.6 Ų | 36.6 | 39.6 Ų | 39.6 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -43.3 | 175.3 | -67.9 | -59 | 147.4 | 0 | 0 | 111.6 | P1459 I2093 L2094 A2099 C2100 V2101 W2119 | P1459-E2097 WeakPolarHBondContact CB-OE1 3.41Å; P1459-E2097 WeakPolarHBondContact CG-OE1 3.23Å; I2093-E2097 HydrophobicContact CG2-CG 4.02Å; I2093-E2097 WeakPolarHBondContact O-CB 3.22Å; I2093-E2097 VanDerWaalsContact O-CG 3.26Å; I2093-E2097 WeakPolarHBondContact O-CG 3.31Å; I2093-E2097 PolarHBondContact O-N 3.21Å; L2094-E2097 PolarHBondContact O-N 3.15Å; E2097-A2099 VanDerWaalsContact C-N 3.31Å; E2097-A2099 PolarHBondContact O-N 3.07Å; E2097-C2100 CarbonylContact O-C 3.47Å; E2097-C2100 WeakPolarHBondContact O-CA 3.5Å; E2097-C2100 WeakPolarHBondContact O-CB 3.37Å; E2097-C2100 PolarHBondContact O-N 3.36Å; E2097-C2100 VanDerWaalsContact O-N 3.13Å; E2097-V2101 WeakPolarHBondContact O-CB 3.37Å; E2097-V2101 VanDerWaalsContact O-CG2 3.28Å; E2097-V2101 WeakPolarHBondContact O-CG2 3.41Å; E2097-V2101 PolarHBondContact O-N 3.25Å; E2097-W2119 HydrophobicContact CB-CZ2 3.93Å |
| 2098 | L | 90.4 | Very high | 82.4 | Confident | 0.2 Ų | 0.2 | 39.7 Ų | 39.7 | 0% | 0.001 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.8 | 179.9 | 61.5 | 0 | 0 | 0 | 111.3 | L2094 E2096 C2100 V2101 V2102 L2116 W2119 L2200 F2203 L2214 A2217 | L2094-L2098 VanDerWaalsContact O-CB 3.25Å; L2094-L2098 WeakPolarHBondContact O-CB 3.26Å; L2094-L2098 PolarHBondContact O-N 3.24Å; E2096-L2098 VanDerWaalsContact C-N 3.32Å; E2096-L2098 PolarHBondContact O-N 3.37Å; L2098-C2100 VanDerWaalsContact C-N 3.31Å; L2098-C2100 PolarHBondContact O-N 2.98Å; L2098-V2101 PolarHBondContact O-N 3.23Å; L2098-V2102 HydrophobicContact CD1-CG2 4.01Å; L2098-V2102 HydrophobicContact CG-CG2 4.48Å; L2098-V2102 VanDerWaalsContact O-CB 3.23Å; L2098-V2102 WeakPolarHBondContact O-CB 3.32Å; L2098-V2102 WeakPolarHBondContact O-CG2 3.4Å; L2098-V2102 PolarHBondContact O-N 3.22Å; L2098-V2102 VanDerWaalsContact O-N 3.09Å; L2098-L2116 HydrophobicContact CD1-CD1 3.72Å; L2098-W2119 HydrophobicContact CB-CH2 3.82Å; L2098-W2119 HydrophobicContact CB-CZ2 4.27Å; L2098-W2119 HydrophobicContact CB-CZ3 4.39Å; L2098-W2119 HydrophobicContact CD1-CE3 4.37Å; L2098-W2119 HydrophobicContact CD1-CH2 4.22Å; L2098-W2119 HydrophobicContact CD1-CZ3 3.91Å; L2098-W2119 HydrophobicContact CG-CH2 4.41Å; L2098-L2200 HydrophobicContact CD2-CB 4.43Å; L2098-L2200 HydrophobicContact CD2-CD2 4.22Å; L2098-F2203 HydrophobicContact CD2-CD1 4.24Å; L2098-F2203 HydrophobicContact CD2-CE1 4.43Å; L2098-L2214 HydrophobicContact CD2-CD1 4.06Å; L2098-L2214 HydrophobicContact CG-CD1 4.11Å; L2098-L2214 HydrophobicContact CG-CD2 4.28Å; L2098-A2217 HydrophobicContact CD1-CB 4.38Å |
| 2099 | A | 86.2 | Confident | 81 | Confident | 22.2 Ų | 22.2 | 37.8 Ų | 37.8 | 18% | 0.183 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T2095 E2096 E2097 S2103 L2214 | T2095-A2099 WeakPolarHBondContact O-CB 3.28Å; T2095-A2099 PolarHBondContact O-N 3.27Å; E2096-A2099 WeakPolarHBondContact O-CB 3.48Å; E2096-A2099 PolarHBondContact O-N 3.15Å; E2097-A2099 VanDerWaalsContact C-N 3.31Å; E2097-A2099 PolarHBondContact O-N 3.07Å; A2099-S2103 PolarHBondContact O-N 3.25Å; A2099-S2103 VanDerWaalsContact O-N 3.12Å; A2099-S2103 PolarHBondContact O-OG 3.02Å; A2099-L2214 HydrophobicContact CB-CD2 4.42Å |
| 2100 | C | 84.5 | Confident | 79.9 | Confident | 38.2 Ų | 38.2 | 38.2 Ų | 38.2 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.7 | -48.9 | 178 | -79.8 | 0 | 0 | 0 | 0 | 112.8 | F1456 A1458 P1459 E2096 E2097 L2098 V2102 S2103 G2104 | F1456-C2100 HydrophobicContact CE1-CB 4.17Å; F1456-C2100 HydrophobicContact CZ-CB 4.29Å; F1456-C2100 WeakPolarHBondContact CZ-SG 3.41Å; A1458-C2100 HydrophobicContact CB-CB 4.34Å; P1459-C2100 WeakPolarHBondContact CD-SG 3.28Å; P1459-C2100 HydrophobicContact CG-CB 4.47Å; E2096-C2100 PolarHBondContact O-N 3.2Å; E2096-C2100 VanDerWaalsContact O-N 3.11Å; E2096-C2100 PolarHBondContact O-SG 3.26Å; E2096-C2100 VanDerWaalsContact O-SG 3.41Å; E2097-C2100 CarbonylContact O-C 3.47Å; E2097-C2100 WeakPolarHBondContact O-CA 3.5Å; E2097-C2100 WeakPolarHBondContact O-CB 3.37Å; E2097-C2100 PolarHBondContact O-N 3.36Å; E2097-C2100 VanDerWaalsContact O-N 3.13Å; L2098-C2100 VanDerWaalsContact C-N 3.31Å; L2098-C2100 PolarHBondContact O-N 2.98Å; C2100-V2102 VanDerWaalsContact C-N 3.26Å; C2100-V2102 PolarHBondContact O-N 3.14Å; C2100-S2103 PolarHBondContact O-N 3.18Å; C2100-S2103 VanDerWaalsContact O-N 3.12Å; C2100-S2103 PolarHBondContact O-OG 3.11Å; C2100-G2104 PolarHBondContact O-N 2.96Å; C2100-G2104 VanDerWaalsContact O-N 3.08Å |
| 2101 | V | 83.4 | Confident | 79.1 | Confident | 16.2 Ų | 16.2 | 41.3 Ų | 41.3 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.9 | -47 | 177.7 | 168.3 | 0 | 0 | 0 | 0 | 109.7 | E2097 L2098 S2103 G2104 Y2105 W2119 | E2097-V2101 WeakPolarHBondContact O-CB 3.37Å; E2097-V2101 VanDerWaalsContact O-CG2 3.28Å; E2097-V2101 WeakPolarHBondContact O-CG2 3.41Å; E2097-V2101 PolarHBondContact O-N 3.25Å; L2098-V2101 PolarHBondContact O-N 3.23Å; V2101-S2103 VanDerWaalsContact C-N 3.31Å; V2101-S2103 PolarHBondContact O-N 2.88Å; V2101-G2104 PolarHBondContact O-N 2.98Å; V2101-G2104 VanDerWaalsContact O-N 3.16Å; V2101-Y2105 HydrophobicContact CG1-CD2 4.29Å; V2101-Y2105 HydrophobicContact CG1-CE2 4.24Å; V2101-Y2105 VanDerWaalsContact O-CD2 3.25Å; V2101-Y2105 WeakPolarHBondContact O-CD2 3.38Å; V2101-W2119 HydrophobicContact CG2-CD2 4.45Å; V2101-W2119 HydrophobicContact CG2-CG 4.17Å |
| 2102 | V | 82.1 | Confident | 78.6 | Confident | 2.4 Ų | 2.4 | 40.3 Ų | 40.3 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | -178.2 | 166.4 | 0 | 0 | 0 | 0 | 112.7 | L2098 C2100 G2104 Y2105 E2106 L2112 G2213 L2214 A2217 | L2098-V2102 HydrophobicContact CD1-CG2 4.01Å; L2098-V2102 HydrophobicContact CG-CG2 4.48Å; L2098-V2102 VanDerWaalsContact O-CB 3.23Å; L2098-V2102 WeakPolarHBondContact O-CB 3.32Å; L2098-V2102 WeakPolarHBondContact O-CG2 3.4Å; L2098-V2102 PolarHBondContact O-N 3.22Å; L2098-V2102 VanDerWaalsContact O-N 3.09Å; C2100-V2102 VanDerWaalsContact C-N 3.26Å; C2100-V2102 PolarHBondContact O-N 3.14Å; V2102-G2104 VanDerWaalsContact C-N 3.27Å; V2102-G2104 PolarHBondContact O-N 3.18Å; V2102-G2104 VanDerWaalsContact O-N 3.14Å; V2102-Y2105 PolarHBondContact O-N 2.88Å; V2102-E2106 WeakPolarHBondContact O-CG 3.27Å; V2102-E2106 PolarHBondContact O-N 3.07Å; V2102-L2112 HydrophobicContact CB-CD1 4.44Å; V2102-L2112 HydrophobicContact CG2-CD1 4.32Å; V2102-G2213 VanDerWaalsContact CG1-O 3.26Å; V2102-G2213 WeakPolarHBondContact CG1-O 3.37Å; V2102-L2214 VanDerWaalsContact CG1-N 3.27Å; V2102-L2214 HydrophobicContact CG2-CD2 4.47Å; V2102-A2217 HydrophobicContact CG2-CB 3.56Å; V2102-A2217 VanDerWaalsContact CG2-CB 3.48Å |
| 2103 | S | 77.6 | Confident | 78.2 | Confident | 62.4 Ų | 62.4 | 37.5 Ų | 37.5 | 44% | 0.436 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -22.9 | 176.8 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | A2099 C2100 V2101 | A2099-S2103 PolarHBondContact O-N 3.25Å; A2099-S2103 VanDerWaalsContact O-N 3.12Å; A2099-S2103 PolarHBondContact O-OG 3.02Å; C2100-S2103 PolarHBondContact O-N 3.18Å; C2100-S2103 VanDerWaalsContact O-N 3.12Å; C2100-S2103 PolarHBondContact O-OG 3.11Å; V2101-S2103 VanDerWaalsContact C-N 3.31Å; V2101-S2103 PolarHBondContact O-N 2.88Å |
| 2104 | G | 71 | Confident | 77.6 | Confident | 51.4 Ų | 51.4 | 36.7 Ų | 36.7 | 53% | 0.53 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -81.3 | -16.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | C2100 V2101 V2102 | C2100-G2104 PolarHBondContact O-N 2.96Å; C2100-G2104 VanDerWaalsContact O-N 3.08Å; V2101-G2104 PolarHBondContact O-N 2.98Å; V2101-G2104 VanDerWaalsContact O-N 3.16Å; V2102-G2104 VanDerWaalsContact C-N 3.27Å; V2102-G2104 PolarHBondContact O-N 3.18Å; V2102-G2104 VanDerWaalsContact O-N 3.14Å |
| 2105 | Y | 68.4 | Low | 77.1 | Confident | 54.8 Ų | 54.8 | 37.8 Ų | 37.8 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -127.8 | 71 | -173.6 | -61.9 | -73.2 | 0 | 0 | 0 | 112.4 | Q1499 V2101 V2102 V2107 D2108 Q2111 Q2115 | Q1499-Y2105 WeakPolarHBondContact CA-OH 3.21Å; Q1499-Y2105 WeakPolarHBondContact CG-OH 3.42Å; Q1499-Y2105 PolarHBondContact O-OH 2.88Å; V2101-Y2105 HydrophobicContact CG1-CD2 4.29Å; V2101-Y2105 HydrophobicContact CG1-CE2 4.24Å; V2101-Y2105 VanDerWaalsContact O-CD2 3.25Å; V2101-Y2105 WeakPolarHBondContact O-CD2 3.38Å; V2102-Y2105 PolarHBondContact O-N 2.88Å; Y2105-V2107 PolarHBondContact O-N 2.84Å; Y2105-D2108 PolarHBondContact O-N 2.93Å; Y2105-Q2111 HydrophobicContact CD1-CB 4.11Å; Y2105-Q2111 HydrophobicContact CE1-CB 4.39Å; Y2105-Q2115 HydrophobicContact CD1-CG 4.06Å; Y2105-Q2115 HydrophobicContact CD2-CB 4.25Å; Y2105-Q2115 HydrophobicContact CD2-CG 4.28Å; Y2105-Q2115 HydrophobicContact CE1-CB 4.47Å; Y2105-Q2115 HydrophobicContact CE1-CG 4.03Å; Y2105-Q2115 HydrophobicContact CE2-CB 4Å; Y2105-Q2115 HydrophobicContact CE2-CG 3.86Å; Y2105-Q2115 HydrophobicContact CG-CB 4.4Å; Y2105-Q2115 HydrophobicContact CG-CG 4.3Å |
| 2106 | E | 62.2 | Low | 76.9 | Confident | 125.4 Ų | 125.4 | 36.8 Ų | 36.8 | 59% | 0.586 | 21% | 0.214 | S | C | * | . | trans | -62.9 | 90.2 | 178.2 | -65.7 | -175.6 | 170.4 | 0 | 0 | 112.2 | V2102 D2108 N2211 | V2102-E2106 WeakPolarHBondContact O-CG 3.27Å; V2102-E2106 PolarHBondContact O-N 3.07Å; E2106-D2108 PolarHBondContact O-N 2.94Å; E2106-N2211 PolarHBondContact OE1-OD1 2.91Å | ||
| 2107 | V | 59.7 | Low | 76.8 | Confident | 63.4 Ų | 63.4 | 33.7 Ų | 33.7 | 38% | 0.384 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -83.9 | -11.4 | 177.7 | -170.3 | 0 | 0 | 0 | 0 | 113.8 | Y2105 G2109 G2110 L2112 A2309 Y2312 | Y2105-V2107 PolarHBondContact O-N 2.84Å; V2107-G2109 PolarHBondContact O-N 3.06Å; V2107-G2110 PolarHBondContact O-N 3.33Å; V2107-L2112 HydrophobicContact CG2-CD2 4.19Å; V2107-A2309 HydrophobicContact CG1-CB 4.27Å; V2107-A2309 HydrophobicContact CG2-CB 4.34Å; V2107-Y2312 HydrophobicContact CB-CD1 4.45Å; V2107-Y2312 HydrophobicContact CG1-CD1 4.03Å; V2107-Y2312 HydrophobicContact CG1-CE1 4.13Å; V2107-Y2312 WeakPolarHBondContact O-CE1 3.31Å |
| 2108 | D | 61.5 | Low | 76.6 | Confident | 72.2 Ų | 72.2 | 33.6 Ų | 33.6 | 39% | 0.386 | 20% | 0.199 | S | C | . | . | trans | -90.4 | 98.8 | 178.8 | -78.2 | -10.8 | 0 | 0 | 0 | 110.9 | Y2105 E2106 G2110 Q2111 L2112 S2511 S2514 | Y2105-D2108 PolarHBondContact O-N 2.93Å; E2106-D2108 PolarHBondContact O-N 2.94Å; D2108-G2110 VanDerWaalsContact C-N 3.29Å; D2108-G2110 PolarHBondContact O-N 3.15Å; D2108-G2110 VanDerWaalsContact O-N 3.11Å; D2108-Q2111 HydrophobicContact CB-CB 4.07Å; D2108-Q2111 HydrophobicContact CB-CG 3.93Å; D2108-Q2111 WeakPolarHBondContact O-CA 3.38Å; D2108-Q2111 WeakPolarHBondContact O-CB 3.46Å; D2108-Q2111 WeakPolarHBondContact O-CG 3.46Å; D2108-Q2111 PolarHBondContact O-N 3.12Å; D2108-Q2111 PolarHBondContact OD2-NE2 3.33Å; D2108-Q2111 VanDerWaalsContact OD2-NE2 3.11Å; D2108-L2112 PolarHBondContact O-N 3Å; D2108-L2112 VanDerWaalsContact O-N 3.15Å; D2108-S2511 WeakPolarHBondContact OD1-CB 3.45Å; D2108-S2511 PolarHBondContact OD1-OG 3.49Å; D2108-S2514 WeakPolarHBondContact OD2-CB 3.19Å; D2108-S2514 PolarHBondContact OD2-OG 2.9Å | ||
| 2109 | G | 60.6 | Low | 76.6 | Confident | 16.2 Ų | 16.2 | 34.2 Ų | 34.2 | 17% | 0.167 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -13.5 | -19.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V2107 Q2111 R2113 Y2312 V2321 | V2107-G2109 PolarHBondContact O-N 3.06Å; G2109-Q2111 VanDerWaalsContact C-N 3.35Å; G2109-Q2111 PolarHBondContact O-N 3.25Å; G2109-Q2111 VanDerWaalsContact O-N 3.15Å; G2109-R2113 PolarHBondContact O-N 3.24Å; G2109-Y2312 PolarHBondContact N-OH 2.84Å; G2109-Y2312 VanDerWaalsContact N-OH 3.14Å; G2109-V2321 WeakPolarHBondContact O-CG2 3.38Å |
| 2110 | G | 66.5 | Low | 76.8 | Confident | 8.2 Ų | 8.2 | 33.2 Ų | 33.2 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -27.2 | -16.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V2107 D2108 L2112 R2113 A2114 V2321 | V2107-G2110 PolarHBondContact O-N 3.33Å; D2108-G2110 VanDerWaalsContact C-N 3.29Å; D2108-G2110 PolarHBondContact O-N 3.15Å; D2108-G2110 VanDerWaalsContact O-N 3.11Å; G2110-L2112 VanDerWaalsContact C-N 3.29Å; G2110-L2112 PolarHBondContact O-N 3.11Å; G2110-R2113 PolarHBondContact O-N 2.64Å; G2110-R2113 VanDerWaalsContact O-N 3.16Å; G2110-A2114 PolarHBondContact O-N 3.1Å; G2110-V2321 VanDerWaalsContact C-CG2 3.41Å |
| 2111 | Q | 74.5 | Confident | 76.9 | Confident | 68.2 Ų | 68.2 | 32.4 Ų | 32.4 | 32% | 0.319 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.5 | -41.4 | 177.9 | -63.2 | -175.5 | 26.9 | 0 | 0 | 111.4 | Y2105 D2108 G2109 R2113 A2114 Q2115 V2321 I2323 | Y2105-Q2111 HydrophobicContact CD1-CB 4.11Å; Y2105-Q2111 HydrophobicContact CE1-CB 4.39Å; D2108-Q2111 HydrophobicContact CB-CB 4.07Å; D2108-Q2111 HydrophobicContact CB-CG 3.93Å; D2108-Q2111 WeakPolarHBondContact O-CA 3.38Å; D2108-Q2111 WeakPolarHBondContact O-CB 3.46Å; D2108-Q2111 WeakPolarHBondContact O-CG 3.46Å; D2108-Q2111 PolarHBondContact O-N 3.12Å; D2108-Q2111 PolarHBondContact OD2-NE2 3.33Å; D2108-Q2111 VanDerWaalsContact OD2-NE2 3.11Å; G2109-Q2111 VanDerWaalsContact C-N 3.35Å; G2109-Q2111 PolarHBondContact O-N 3.25Å; G2109-Q2111 VanDerWaalsContact O-N 3.15Å; Q2111-R2113 VanDerWaalsContact C-N 3.33Å; Q2111-R2113 PolarHBondContact O-N 3.11Å; Q2111-A2114 PolarHBondContact O-N 2.95Å; Q2111-Q2115 WeakPolarHBondContact O-CB 3.29Å; Q2111-Q2115 VanDerWaalsContact O-CG 3.28Å; Q2111-Q2115 WeakPolarHBondContact O-CG 3.37Å; Q2111-Q2115 PolarHBondContact O-N 3.26Å; Q2111-Q2115 VanDerWaalsContact O-N 3.08Å; Q2111-V2321 HydrophobicContact CG-CG1 3.97Å; Q2111-V2321 HydrophobicContact CG-CG2 4.33Å; Q2111-I2323 HydrophobicContact CG-CD1 4.39Å |
| 2112 | L | 81.3 | Confident | 77.1 | Confident | 5.2 Ų | 5.2 | 35.3 Ų | 35.3 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56 | -46.9 | 178.3 | 179 | 66.2 | 0 | 0 | 0 | 111.6 | V2102 V2107 D2108 G2110 A2114 Q2115 L2116 S2216 | V2102-L2112 HydrophobicContact CB-CD1 4.44Å; V2102-L2112 HydrophobicContact CG2-CD1 4.32Å; V2107-L2112 HydrophobicContact CG2-CD2 4.19Å; D2108-L2112 PolarHBondContact O-N 3Å; D2108-L2112 VanDerWaalsContact O-N 3.15Å; G2110-L2112 VanDerWaalsContact C-N 3.29Å; G2110-L2112 PolarHBondContact O-N 3.11Å; L2112-A2114 VanDerWaalsContact C-N 3.35Å; L2112-A2114 PolarHBondContact O-N 2.98Å; L2112-Q2115 PolarHBondContact O-N 3.14Å; L2112-L2116 VanDerWaalsContact O-CB 3.25Å; L2112-L2116 WeakPolarHBondContact O-CB 3.35Å; L2112-L2116 PolarHBondContact O-N 3.07Å; L2112-S2216 VanDerWaalsContact CD2-OG 3.26Å; L2112-S2216 WeakPolarHBondContact CD2-OG 3.28Å |
| 2113 | R | 81.9 | Confident | 77.5 | Confident | 6.8 Ų | 6.8 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 179.7 | -178.4 | -178.2 | -66.8 | 125.7 | 5.7 | 111.9 | G2109 G2110 Q2111 Q2115 L2116 Y2117 E2220 G2313 C2316 M2318 | G2109-R2113 PolarHBondContact O-N 3.24Å; G2110-R2113 PolarHBondContact O-N 2.64Å; G2110-R2113 VanDerWaalsContact O-N 3.16Å; Q2111-R2113 VanDerWaalsContact C-N 3.33Å; Q2111-R2113 PolarHBondContact O-N 3.11Å; R2113-Q2115 VanDerWaalsContact C-N 3.31Å; R2113-Q2115 PolarHBondContact O-N 3.11Å; R2113-L2116 PolarHBondContact O-N 3.25Å; R2113-Y2117 HydrophobicContact CG-CD1 4.33Å; R2113-Y2117 HydrophobicContact CG-CD2 4.25Å; R2113-Y2117 HydrophobicContact CG-CE1 3.89Å; R2113-Y2117 HydrophobicContact CG-CE2 3.73Å; R2113-Y2117 HydrophobicContact CG-CG 4.5Å; R2113-Y2117 VanDerWaalsContact CG-CZ 3.48Å; R2113-Y2117 WeakPolarHBondContact O-CB 3.33Å; R2113-Y2117 VanDerWaalsContact O-CD1 3.31Å; R2113-Y2117 WeakPolarHBondContact O-CD1 3.37Å; R2113-Y2117 VanDerWaalsContact O-CG 3.26Å; R2113-Y2117 PolarHBondContact O-N 3.18Å; R2113-E2220 HydrophobicContact CB-CG 4.43Å; R2113-E2220 IonicContact CZ-OE1 3.32Å; R2113-E2220 IonicContact CZ-OE2 3.2Å; R2113-E2220 VanDerWaalsContact CZ-OE2 3.27Å; R2113-E2220 VanDerWaalsContact NE-CD 3.33Å; R2113-E2220 IonicContact NE-OE1 3.06Å; R2113-E2220 PolarHBondContact NE-OE1 3.25Å; R2113-E2220 IonicContact NE-OE2 3.48Å; R2113-E2220 PolarHBondContact NE-OE2 3.14Å; R2113-E2220 VanDerWaalsContact NH2-CD 3.29Å; R2113-E2220 IonicContact NH2-OE1 2.91Å; R2113-E2220 PolarHBondContact NH2-OE1 3.14Å; R2113-E2220 IonicContact NH2-OE2 3.39Å; R2113-E2220 PolarHBondContact NH2-OE2 3.16Å; R2113-E2220 VanDerWaalsContact NH2-OE2 3.14Å; R2113-G2313 PolarHBondContact NH2-O 3.12Å; R2113-C2316 PolarHBondContact NH1-O 3.14Å; R2113-M2318 HydrophobicContact CB-CE 4.38Å; R2113-M2318 HydrophobicContact CB-SD 3.7Å; R2113-M2318 VanDerWaalsContact CB-SD 3.55Å; R2113-M2318 VanDerWaalsContact CD-CG 3.48Å; R2113-M2318 VanDerWaalsContact CD-SD 3.5Å; R2113-M2318 WeakPolarHBondContact CD-SD 3.18Å; R2113-M2318 HydrophobicContact CG-CE 4.25Å; R2113-M2318 HydrophobicContact CG-CG 4.27Å; R2113-M2318 HydrophobicContact CG-SD 3.56Å; R2113-M2318 VanDerWaalsContact CG-SD 3.56Å |
| 2114 | A | 77.5 | Confident | 78 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 7% | 0.066 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G2110 Q2111 L2112 L2118 M2318 I2323 L2335 | G2110-A2114 PolarHBondContact O-N 3.1Å; Q2111-A2114 PolarHBondContact O-N 2.95Å; L2112-A2114 VanDerWaalsContact C-N 3.35Å; L2112-A2114 PolarHBondContact O-N 2.98Å; A2114-L2118 WeakPolarHBondContact O-CB 3.49Å; A2114-L2118 PolarHBondContact O-N 3.25Å; A2114-L2118 VanDerWaalsContact O-N 3.13Å; A2114-M2318 VanDerWaalsContact CA-CE 3.41Å; A2114-M2318 HydrophobicContact CB-CE 3.65Å; A2114-M2318 VanDerWaalsContact CB-CE 3.45Å; A2114-M2318 HydrophobicContact CB-SD 4.25Å; A2114-M2318 VanDerWaalsContact N-CE 3.35Å; A2114-I2323 HydrophobicContact CB-CD1 3.68Å; A2114-L2335 HydrophobicContact CB-CD2 4.17Å |
| 2115 | Q | 81.6 | Confident | 78.6 | Confident | 25.6 Ų | 25.6 | 35.8 Ų | 35.8 | 12% | 0.12 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.9 | -40.7 | -179.5 | -66.1 | -64.7 | -9.8 | 0 | 0 | 112.1 | Y2105 Q2111 L2112 R2113 Y2117 L2118 W2119 M2326 | Y2105-Q2115 HydrophobicContact CD1-CG 4.06Å; Y2105-Q2115 HydrophobicContact CD2-CB 4.25Å; Y2105-Q2115 HydrophobicContact CD2-CG 4.28Å; Y2105-Q2115 HydrophobicContact CE1-CB 4.47Å; Y2105-Q2115 HydrophobicContact CE1-CG 4.03Å; Y2105-Q2115 HydrophobicContact CE2-CB 4Å; Y2105-Q2115 HydrophobicContact CE2-CG 3.86Å; Y2105-Q2115 HydrophobicContact CG-CB 4.4Å; Y2105-Q2115 HydrophobicContact CG-CG 4.3Å; Q2111-Q2115 WeakPolarHBondContact O-CB 3.29Å; Q2111-Q2115 VanDerWaalsContact O-CG 3.28Å; Q2111-Q2115 WeakPolarHBondContact O-CG 3.37Å; Q2111-Q2115 PolarHBondContact O-N 3.26Å; Q2111-Q2115 VanDerWaalsContact O-N 3.08Å; L2112-Q2115 PolarHBondContact O-N 3.14Å; R2113-Q2115 VanDerWaalsContact C-N 3.31Å; R2113-Q2115 PolarHBondContact O-N 3.11Å; Q2115-Y2117 VanDerWaalsContact C-N 3.31Å; Q2115-Y2117 PolarHBondContact O-N 3.28Å; Q2115-L2118 PolarHBondContact O-N 3.09Å; Q2115-W2119 VanDerWaalsContact O-CB 3.24Å; Q2115-W2119 WeakPolarHBondContact O-CB 3.39Å; Q2115-W2119 PolarHBondContact O-N 3.27Å; Q2115-M2326 VanDerWaalsContact NE2-CE 3.29Å; Q2115-M2326 PolarHBondContact NE2-SD 3.13Å |
| 2116 | L | 87.3 | Confident | 79.4 | Confident | 0.2 Ų | 0.2 | 35 Ų | 35 | 0% | 0.001 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 177 | -176.1 | 79.5 | 0 | 0 | 0 | 111 | L2098 L2112 R2113 W2119 L2120 A2217 E2220 L2221 | L2098-L2116 HydrophobicContact CD1-CD1 3.72Å; L2112-L2116 VanDerWaalsContact O-CB 3.25Å; L2112-L2116 WeakPolarHBondContact O-CB 3.35Å; L2112-L2116 PolarHBondContact O-N 3.07Å; R2113-L2116 PolarHBondContact O-N 3.25Å; L2116-W2119 HydrophobicContact CD1-CE3 3.97Å; L2116-W2119 HydrophobicContact CD1-CZ3 4.28Å; L2116-W2119 PolarHBondContact O-N 3.01Å; L2116-L2120 HydrophobicContact CD2-CD1 3.59Å; L2116-L2120 HydrophobicContact CD2-CG 4.27Å; L2116-L2120 HydrophobicContact CG-CD1 4.21Å; L2116-L2120 VanDerWaalsContact O-CB 3.29Å; L2116-L2120 WeakPolarHBondContact O-CB 3.31Å; L2116-L2120 VanDerWaalsContact O-CG 3.26Å; L2116-L2120 WeakPolarHBondContact O-CG 3.3Å; L2116-L2120 PolarHBondContact O-N 3.12Å; L2116-A2217 HydrophobicContact CD1-CB 3.83Å; L2116-A2217 HydrophobicContact CD2-CB 4.32Å; L2116-E2220 HydrophobicContact CD1-CB 4.43Å; L2116-E2220 HydrophobicContact CD2-CB 3.85Å; L2116-E2220 HydrophobicContact CD2-CG 4.29Å; L2116-L2221 HydrophobicContact CD2-CD2 4.02Å |
| 2117 | Y | 85.9 | Confident | 80.5 | Confident | 23.4 Ų | 23.4 | 29.2 Ų | 29.2 | 9% | 0.092 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 178.3 | -70.6 | 3.1 | 0 | 0 | 0 | 111.9 | W1493 R2113 Q2115 W2119 L2120 E2121 L2224 M2318 L2334 L2335 | W1493-Y2117 HydrophobicContact CZ2-CD2 4.18Å; R2113-Y2117 HydrophobicContact CG-CD1 4.33Å; R2113-Y2117 HydrophobicContact CG-CD2 4.25Å; R2113-Y2117 HydrophobicContact CG-CE1 3.89Å; R2113-Y2117 HydrophobicContact CG-CE2 3.73Å; R2113-Y2117 HydrophobicContact CG-CG 4.5Å; R2113-Y2117 VanDerWaalsContact CG-CZ 3.48Å; R2113-Y2117 WeakPolarHBondContact O-CB 3.33Å; R2113-Y2117 VanDerWaalsContact O-CD1 3.31Å; R2113-Y2117 WeakPolarHBondContact O-CD1 3.37Å; R2113-Y2117 VanDerWaalsContact O-CG 3.26Å; R2113-Y2117 PolarHBondContact O-N 3.18Å; Q2115-Y2117 VanDerWaalsContact C-N 3.31Å; Q2115-Y2117 PolarHBondContact O-N 3.28Å; Y2117-W2119 VanDerWaalsContact C-N 3.34Å; Y2117-W2119 PolarHBondContact O-N 3.06Å; Y2117-L2120 PolarHBondContact O-N 3.06Å; Y2117-E2121 WeakPolarHBondContact O-CG 3.36Å; Y2117-E2121 PolarHBondContact O-N 3.33Å; Y2117-E2121 VanDerWaalsContact O-N 3.1Å; Y2117-L2224 HydrophobicContact CD1-CD1 4.1Å; Y2117-L2224 HydrophobicContact CD1-CD2 4.48Å; Y2117-L2224 HydrophobicContact CE1-CD1 3.64Å; Y2117-L2224 HydrophobicContact CE1-CD2 3.85Å; Y2117-L2224 HydrophobicContact CE1-CG 3.82Å; Y2117-L2224 HydrophobicContact CE2-CD2 4.31Å; Y2117-L2224 WeakPolarHBondContact OH-CD2 3.22Å; Y2117-M2318 HydrophobicContact CD2-CE 4.14Å; Y2117-M2318 HydrophobicContact CE2-CE 4.3Å; Y2117-L2334 HydrophobicContact CD1-CD1 4.3Å; Y2117-L2334 HydrophobicContact CD2-CB 3.76Å; Y2117-L2334 HydrophobicContact CE2-CB 4.45Å; Y2117-L2334 HydrophobicContact CG-CB 3.91Å; Y2117-L2334 HydrophobicContact CG-CD1 4.04Å; Y2117-L2335 HydrophobicContact CD2-CD2 4.49Å |
| 2118 | L | 84.8 | Confident | 81.7 | Confident | 35.4 Ų | 35.4 | 29.5 Ų | 29.5 | 19% | 0.185 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.4 | -176.1 | 62.9 | 0 | 0 | 0 | 112 | A2114 Q2115 E2121 K2122 M2326 L2327 L2335 | A2114-L2118 WeakPolarHBondContact O-CB 3.49Å; A2114-L2118 PolarHBondContact O-N 3.25Å; A2114-L2118 VanDerWaalsContact O-N 3.13Å; Q2115-L2118 PolarHBondContact O-N 3.09Å; L2118-E2121 PolarHBondContact O-N 2.85Å; L2118-K2122 HydrophobicContact CD1-CD 4.48Å; L2118-K2122 HydrophobicContact CG-CD 4.45Å; L2118-K2122 WeakPolarHBondContact O-CG 3.22Å; L2118-K2122 PolarHBondContact O-N 3.09Å; L2118-K2122 VanDerWaalsContact O-N 3.16Å; L2118-M2326 HydrophobicContact CD2-CE 3.6Å; L2118-M2326 VanDerWaalsContact CD2-CE 3.5Å; L2118-L2327 HydrophobicContact CD2-CB 4.46Å; L2118-L2327 HydrophobicContact CD2-CD1 3.7Å; L2118-L2335 HydrophobicContact CB-CD1 4.29Å; L2118-L2335 HydrophobicContact CD1-CD1 4.37Å |
| 2119 | W | 90.4 | Very high | 82.7 | Confident | 13.4 Ų | 13.4 | 30 Ų | 30 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 176.1 | 174.4 | 80.3 | 0 | 0 | 0 | 110.9 | L2094 E2097 L2098 V2101 Q2115 L2116 Y2117 E2121 K2122 E2123 L2200 | L2094-W2119 HydrophobicContact CB-CH2 4.39Å; L2094-W2119 HydrophobicContact CB-CZ2 4.42Å; L2094-W2119 HydrophobicContact CD2-CH2 4.26Å; L2094-W2119 HydrophobicContact CD2-CZ2 3.94Å; L2094-W2119 WeakPolarHBondContact O-CZ2 3.29Å; E2097-W2119 HydrophobicContact CB-CZ2 3.93Å; L2098-W2119 HydrophobicContact CB-CH2 3.82Å; L2098-W2119 HydrophobicContact CB-CZ2 4.27Å; L2098-W2119 HydrophobicContact CB-CZ3 4.39Å; L2098-W2119 HydrophobicContact CD1-CE3 4.37Å; L2098-W2119 HydrophobicContact CD1-CH2 4.22Å; L2098-W2119 HydrophobicContact CD1-CZ3 3.91Å; L2098-W2119 HydrophobicContact CG-CH2 4.41Å; V2101-W2119 HydrophobicContact CG2-CD2 4.45Å; V2101-W2119 HydrophobicContact CG2-CG 4.17Å; Q2115-W2119 VanDerWaalsContact O-CB 3.24Å; Q2115-W2119 WeakPolarHBondContact O-CB 3.39Å; Q2115-W2119 PolarHBondContact O-N 3.27Å; L2116-W2119 HydrophobicContact CD1-CE3 3.97Å; L2116-W2119 HydrophobicContact CD1-CZ3 4.28Å; L2116-W2119 PolarHBondContact O-N 3.01Å; Y2117-W2119 VanDerWaalsContact C-N 3.34Å; Y2117-W2119 PolarHBondContact O-N 3.06Å; W2119-E2121 VanDerWaalsContact C-N 3.33Å; W2119-E2121 PolarHBondContact O-N 3.13Å; W2119-K2122 PolarHBondContact O-N 3.27Å; W2119-K2122 VanDerWaalsContact O-N 3.17Å; W2119-E2123 HydrophobicContact CD2-CG 4.04Å; W2119-E2123 VanDerWaalsContact CE2-CG 3.47Å; W2119-E2123 HydrophobicContact CG-CG 4.23Å; W2119-E2123 HydrophobicContact CZ2-CG 3.94Å; W2119-E2123 VanDerWaalsContact NE1-CG 3.29Å; W2119-E2123 PolarHBondContact NE1-OE1 3.11Å; W2119-E2123 VanDerWaalsContact O-CB 3.31Å; W2119-E2123 WeakPolarHBondContact O-CB 3.26Å; W2119-E2123 VanDerWaalsContact O-CG 3.26Å; W2119-E2123 WeakPolarHBondContact O-CG 3.25Å; W2119-E2123 PolarHBondContact O-N 3.24Å; W2119-L2200 HydrophobicContact CH2-CD1 4.41Å; W2119-L2200 HydrophobicContact CZ3-CD1 4.26Å |
| 2120 | L | 90.8 | Very high | 83.7 | Confident | 0.4 Ų | 0.4 | 30.6 Ų | 30.6 | 0% | 0.002 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 176.9 | -78.1 | 171.4 | 0 | 0 | 0 | 112 | L2116 Y2117 K2122 E2123 M2124 W2189 L2197 L2200 L2221 L2224 L2334 | L2116-L2120 HydrophobicContact CD2-CD1 3.59Å; L2116-L2120 HydrophobicContact CD2-CG 4.27Å; L2116-L2120 HydrophobicContact CG-CD1 4.21Å; L2116-L2120 VanDerWaalsContact O-CB 3.29Å; L2116-L2120 WeakPolarHBondContact O-CB 3.31Å; L2116-L2120 VanDerWaalsContact O-CG 3.26Å; L2116-L2120 WeakPolarHBondContact O-CG 3.3Å; L2116-L2120 PolarHBondContact O-N 3.12Å; Y2117-L2120 PolarHBondContact O-N 3.06Å; L2120-K2122 PolarHBondContact O-N 2.93Å; L2120-E2123 PolarHBondContact O-N 3.31Å; L2120-M2124 HydrophobicContact CD2-CE 4.2Å; L2120-M2124 WeakPolarHBondContact O-CB 3.36Å; L2120-M2124 VanDerWaalsContact O-CG 3.23Å; L2120-M2124 WeakPolarHBondContact O-CG 3.38Å; L2120-M2124 PolarHBondContact O-N 3.17Å; L2120-W2189 HydrophobicContact CB-CH2 4.22Å; L2120-L2197 HydrophobicContact CD1-CD2 4.06Å; L2120-L2197 HydrophobicContact CD2-CD2 4.17Å; L2120-L2200 HydrophobicContact CD2-CD1 3.77Å; L2120-L2221 HydrophobicContact CD1-CD2 3.91Å; L2120-L2221 HydrophobicContact CD2-CD2 4.44Å; L2120-L2224 HydrophobicContact CD1-CD1 3.99Å; L2120-L2334 HydrophobicContact CB-CD1 4.42Å; L2120-L2334 HydrophobicContact CD1-CD1 4.47Å |
| 2121 | E | 86.5 | Confident | 84.2 | Confident | 20.6 Ų | 20.6 | 30.6 Ų | 30.6 | 10% | 0.096 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 179 | -89.3 | 179.4 | 176.9 | 0 | 0 | 112 | Y2117 L2118 W2119 E2123 M2124 E2125 W2189 S2332 F2333 L2334 | Y2117-E2121 WeakPolarHBondContact O-CG 3.36Å; Y2117-E2121 PolarHBondContact O-N 3.33Å; Y2117-E2121 VanDerWaalsContact O-N 3.1Å; L2118-E2121 PolarHBondContact O-N 2.85Å; W2119-E2121 VanDerWaalsContact C-N 3.33Å; W2119-E2121 PolarHBondContact O-N 3.13Å; E2121-E2123 PolarHBondContact O-N 3.25Å; E2121-M2124 PolarHBondContact O-N 3.09Å; E2121-E2125 WeakPolarHBondContact O-CG 3.42Å; E2121-E2125 PolarHBondContact O-N 3.32Å; E2121-E2125 VanDerWaalsContact O-N 3.16Å; E2121-W2189 HydrophobicContact CG-CZ2 4.17Å; E2121-S2332 VanDerWaalsContact CD-OG 3.24Å; E2121-S2332 PolarHBondContact OE1-OG 3.12Å; E2121-S2332 WeakPolarHBondContact OE2-CB 3.38Å; E2121-S2332 PolarHBondContact OE2-OG 2.93Å; E2121-F2333 VanDerWaalsContact OE1-CA 3.31Å; E2121-F2333 WeakPolarHBondContact OE1-CA 3.37Å; E2121-F2333 WeakPolarHBondContact OE1-CB 3.36Å; E2121-F2333 PolarHBondContact OE1-N 3.14Å; E2121-L2334 HydrophobicContact CG-CD1 4.16Å; E2121-L2334 HydrophobicContact CG-CG 4.27Å; E2121-L2334 WeakPolarHBondContact OE1-CB 3.48Å; E2121-L2334 WeakPolarHBondContact OE1-CG 3.3Å; E2121-L2334 PolarHBondContact OE1-N 3.25Å |
| 2122 | K | 87.8 | Confident | 84 | Confident | 76.8 Ų | 76.8 | 29.5 Ų | 29.5 | 33% | 0.334 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -65.5 | -41.7 | -180 | -69.6 | -179.9 | 178.2 | -178.5 | 0 | 112.3 | Y1463 D1495 L2118 W2119 L2120 E2125 M2126 | Y1463-K2122 HydrophobicContact CD1-CB 3.58Å; Y1463-K2122 HydrophobicContact CD1-CD 4.11Å; Y1463-K2122 HydrophobicContact CD2-CB 4.31Å; Y1463-K2122 HydrophobicContact CD2-CD 3.64Å; Y1463-K2122 HydrophobicContact CE1-CB 4.09Å; Y1463-K2122 HydrophobicContact CE1-CD 4.05Å; Y1463-K2122 HydrophobicContact CE2-CD 3.59Å; Y1463-K2122 HydrophobicContact CG-CB 3.71Å; Y1463-K2122 HydrophobicContact CG-CD 3.92Å; Y1463-K2122 HydrophobicContact CG-CG 4.4Å; D1495-K2122 IonicContact OD2-NZ 3.59Å; D1495-K2122 PolarHBondContact OD2-NZ 2.96Å; L2118-K2122 HydrophobicContact CD1-CD 4.48Å; L2118-K2122 HydrophobicContact CG-CD 4.45Å; L2118-K2122 WeakPolarHBondContact O-CG 3.22Å; L2118-K2122 PolarHBondContact O-N 3.09Å; L2118-K2122 VanDerWaalsContact O-N 3.16Å; W2119-K2122 PolarHBondContact O-N 3.27Å; W2119-K2122 VanDerWaalsContact O-N 3.17Å; L2120-K2122 PolarHBondContact O-N 2.93Å; K2122-E2125 WeakPolarHBondContact O-CB 3.38Å; K2122-E2125 PolarHBondContact O-N 2.98Å; K2122-M2126 WeakPolarHBondContact O-CE 3.22Å; K2122-M2126 WeakPolarHBondContact O-CG 3.35Å; K2122-M2126 PolarHBondContact O-N 3.14Å; K2122-M2126 VanDerWaalsContact O-N 3.12Å |
| 2123 | E | 89.8 | Confident | 83.5 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 9% | 0.089 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.6 | -34.8 | -179.6 | -73.1 | -55.2 | 156.6 | 0 | 0 | 112.7 | L1462 Y1463 L2094 W2119 L2120 E2121 E2125 M2126 L2127 | L1462-E2123 WeakPolarHBondContact CB-OE2 3.38Å; L1462-E2123 PolarHBondContact N-OE1 3.17Å; L1462-E2123 VanDerWaalsContact N-OE1 3.14Å; Y1463-E2123 HydrophobicContact CD1-CG 4.25Å; Y1463-E2123 WeakPolarHBondContact CD1-OE1 3.26Å; L2094-E2123 HydrophobicContact CD2-CB 3.55Å; L2094-E2123 HydrophobicContact CD2-CG 3.56Å; L2094-E2123 VanDerWaalsContact CD2-OE2 3.26Å; L2094-E2123 WeakPolarHBondContact CD2-OE2 3.44Å; W2119-E2123 HydrophobicContact CD2-CG 4.04Å; W2119-E2123 VanDerWaalsContact CE2-CG 3.47Å; W2119-E2123 HydrophobicContact CG-CG 4.23Å; W2119-E2123 HydrophobicContact CZ2-CG 3.94Å; W2119-E2123 VanDerWaalsContact NE1-CG 3.29Å; W2119-E2123 PolarHBondContact NE1-OE1 3.11Å; W2119-E2123 VanDerWaalsContact O-CB 3.31Å; W2119-E2123 WeakPolarHBondContact O-CB 3.26Å; W2119-E2123 VanDerWaalsContact O-CG 3.26Å; W2119-E2123 WeakPolarHBondContact O-CG 3.25Å; W2119-E2123 PolarHBondContact O-N 3.24Å; L2120-E2123 PolarHBondContact O-N 3.31Å; E2121-E2123 PolarHBondContact O-N 3.25Å; E2123-E2125 VanDerWaalsContact C-N 3.31Å; E2123-E2125 PolarHBondContact O-N 3.15Å; E2123-M2126 WeakPolarHBondContact O-CB 3.34Å; E2123-M2126 PolarHBondContact O-N 3.31Å; E2123-L2127 WeakPolarHBondContact O-CB 3.25Å; E2123-L2127 PolarHBondContact O-N 3.06Å |
| 2124 | M | 88.2 | Confident | 82.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 173 | -67.9 | -45.9 | 115.9 | 0 | 0 | 111.7 | L2094 L2120 E2121 M2126 L2127 K2128 W2189 H2193 V2196 | L2094-M2124 HydrophobicContact CD1-CE 4.4Å; L2120-M2124 HydrophobicContact CD2-CE 4.2Å; L2120-M2124 WeakPolarHBondContact O-CB 3.36Å; L2120-M2124 VanDerWaalsContact O-CG 3.23Å; L2120-M2124 WeakPolarHBondContact O-CG 3.38Å; L2120-M2124 PolarHBondContact O-N 3.17Å; E2121-M2124 PolarHBondContact O-N 3.09Å; M2124-M2126 VanDerWaalsContact C-N 3.33Å; M2124-L2127 PolarHBondContact O-N 3.15Å; M2124-L2127 HydrophobicContact SD-CD2 4.4Å; M2124-K2128 WeakPolarHBondContact O-CG 3.31Å; M2124-K2128 PolarHBondContact O-N 3.02Å; M2124-W2189 HydrophobicContact CB-CZ2 4.03Å; M2124-W2189 HydrophobicContact CG-CH2 3.95Å; M2124-W2189 HydrophobicContact CG-CZ2 3.69Å; M2124-H2193 HydrophobicContact CG-CB 4.36Å; M2124-H2193 HydrophobicContact SD-CB 4.34Å; M2124-V2196 HydrophobicContact CE-CB 4.39Å; M2124-V2196 HydrophobicContact CE-CG1 3.61Å; M2124-V2196 HydrophobicContact SD-CB 4.13Å; M2124-V2196 HydrophobicContact SD-CG1 3.82Å; M2124-V2196 HydrophobicContact SD-CG2 4.31Å |
| 2125 | E | 84.6 | Confident | 82.1 | Confident | 107.2 Ų | 107.2 | 39.4 Ų | 39.4 | 50% | 0.501 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 170.9 | -72.1 | 179.6 | 179.3 | 0 | 0 | 111.8 | Y1467 E2121 K2122 E2123 L2127 K2128 L2129 | Y1467-E2125 PolarHBondContact OH-OE2 3.12Å; E2121-E2125 WeakPolarHBondContact O-CG 3.42Å; E2121-E2125 PolarHBondContact O-N 3.32Å; E2121-E2125 VanDerWaalsContact O-N 3.16Å; K2122-E2125 WeakPolarHBondContact O-CB 3.38Å; K2122-E2125 PolarHBondContact O-N 2.98Å; E2123-E2125 VanDerWaalsContact C-N 3.31Å; E2123-E2125 PolarHBondContact O-N 3.15Å; E2125-L2127 VanDerWaalsContact C-N 3.29Å; E2125-L2127 PolarHBondContact O-N 3.07Å; E2125-K2128 WeakPolarHBondContact O-CB 3.36Å; E2125-K2128 PolarHBondContact O-N 3.16Å; E2125-L2129 WeakPolarHBondContact O-CB 3.42Å; E2125-L2129 PolarHBondContact O-N 3.26Å; E2125-L2129 VanDerWaalsContact O-N 3.13Å |
| 2126 | M | 85 | Confident | 80.9 | Confident | 38.4 Ų | 38.4 | 43 Ų | 43 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -37.7 | 174.3 | -65.5 | -50.3 | 113.6 | 0 | 0 | 112.1 | L1462 Y1463 I1466 Y1467 K2122 E2123 M2124 K2128 L2129 L2130 | L1462-M2126 HydrophobicContact CB-CB 4.47Å; L1462-M2126 HydrophobicContact CB-CG 4.21Å; Y1463-M2126 VanDerWaalsContact CA-SD 3.57Å; Y1463-M2126 VanDerWaalsContact CB-CE 3.44Å; I1466-M2126 HydrophobicContact CB-SD 4.09Å; I1466-M2126 HydrophobicContact CD1-CG 4.48Å; I1466-M2126 HydrophobicContact CD1-SD 4.05Å; I1466-M2126 HydrophobicContact CG2-SD 4.18Å; Y1467-M2126 HydrophobicContact CD2-CE 3.23Å; Y1467-M2126 HydrophobicContact CD2-SD 3.68Å; Y1467-M2126 VanDerWaalsContact CD2-SD 3.56Å; Y1467-M2126 HydrophobicContact CE2-CE 3.25Å; Y1467-M2126 HydrophobicContact CE2-SD 3.84Å; Y1467-M2126 VanDerWaalsContact CE2-SD 3.53Å; Y1467-M2126 HydrophobicContact CG-CE 3.86Å; K2122-M2126 WeakPolarHBondContact O-CE 3.22Å; K2122-M2126 WeakPolarHBondContact O-CG 3.35Å; K2122-M2126 PolarHBondContact O-N 3.14Å; K2122-M2126 VanDerWaalsContact O-N 3.12Å; E2123-M2126 WeakPolarHBondContact O-CB 3.34Å; E2123-M2126 PolarHBondContact O-N 3.31Å; M2124-M2126 VanDerWaalsContact C-N 3.33Å; M2126-K2128 VanDerWaalsContact C-N 3.32Å; M2126-K2128 PolarHBondContact O-N 3.26Å; M2126-L2129 HydrophobicContact CE-CD2 4.35Å; M2126-L2129 PolarHBondContact O-N 3.17Å; M2126-L2129 VanDerWaalsContact O-N 3.16Å; M2126-L2130 HydrophobicContact CB-CD1 4.35Å; M2126-L2130 HydrophobicContact CE-CD1 4.46Å; M2126-L2130 VanDerWaalsContact O-CB 3.28Å; M2126-L2130 WeakPolarHBondContact O-CB 3.36Å; M2126-L2130 VanDerWaalsContact O-CG 3.28Å; M2126-L2130 WeakPolarHBondContact O-CG 3.43Å; M2126-L2130 PolarHBondContact O-N 3.21Å |
| 2127 | L | 85.7 | Confident | 79.2 | Confident | 2.8 Ų | 2.8 | 48.1 Ų | 48.1 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.8 | -167.2 | 70 | 0 | 0 | 0 | 111.6 | L2087 C2090 M2091 E2123 M2124 E2125 L2129 L2130 C2131 Y2133 V2196 | L2087-L2127 HydrophobicContact CD1-CD1 3.95Å; L2087-L2127 HydrophobicContact CD1-CD2 4.38Å; C2090-L2127 HydrophobicContact CB-CD1 3.73Å; M2091-L2127 HydrophobicContact CE-CD1 3.74Å; M2091-L2127 HydrophobicContact CE-CD2 3.77Å; M2091-L2127 HydrophobicContact CE-CG 4.44Å; E2123-L2127 WeakPolarHBondContact O-CB 3.25Å; E2123-L2127 PolarHBondContact O-N 3.06Å; M2124-L2127 PolarHBondContact O-N 3.15Å; M2124-L2127 HydrophobicContact SD-CD2 4.4Å; E2125-L2127 VanDerWaalsContact C-N 3.29Å; E2125-L2127 PolarHBondContact O-N 3.07Å; L2127-L2129 VanDerWaalsContact C-N 3.31Å; L2127-L2129 PolarHBondContact O-N 3.22Å; L2127-L2130 PolarHBondContact O-N 2.82Å; L2127-C2131 HydrophobicContact CD1-CB 4.3Å; L2127-C2131 WeakPolarHBondContact O-CB 3.33Å; L2127-C2131 PolarHBondContact O-N 3.08Å; L2127-Y2133 HydrophobicContact CD2-CD1 4.2Å; L2127-Y2133 HydrophobicContact CD2-CD2 4.17Å; L2127-Y2133 HydrophobicContact CD2-CE1 4.5Å; L2127-Y2133 HydrophobicContact CD2-CE2 4.41Å; L2127-Y2133 HydrophobicContact CD2-CG 4.02Å; L2127-Y2133 HydrophobicContact CG-CG 4.21Å; L2127-Y2133 WeakPolarHBondContact O-CB 3.36Å; L2127-V2196 HydrophobicContact CD2-CG2 3.98Å |
| 2128 | K | 83.8 | Confident | 77.6 | Confident | 69.6 Ų | 69.6 | 54.9 Ų | 54.9 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 171.9 | -72 | -178.3 | 179.1 | -171.9 | 0 | 111.4 | M2124 E2125 M2126 D2132 Y2133 E2137 H2193 | M2124-K2128 WeakPolarHBondContact O-CG 3.31Å; M2124-K2128 PolarHBondContact O-N 3.02Å; E2125-K2128 WeakPolarHBondContact O-CB 3.36Å; E2125-K2128 PolarHBondContact O-N 3.16Å; M2126-K2128 VanDerWaalsContact C-N 3.32Å; M2126-K2128 PolarHBondContact O-N 3.26Å; K2128-D2132 VanDerWaalsContact O-CA 3.28Å; K2128-D2132 WeakPolarHBondContact O-CA 3.38Å; K2128-D2132 PolarHBondContact O-N 3.14Å; K2128-Y2133 HydrophobicContact CG-CD1 4.2Å; K2128-Y2133 PolarHBondContact O-N 3.21Å; K2128-E2137 IonicContact NZ-OE1 3.76Å; K2128-E2137 PolarHBondContact NZ-OE1 3.19Å; K2128-H2193 WeakPolarHBondContact CE-NE2 3.44Å |
| 2129 | L | 81.8 | Confident | 75.8 | Confident | 82.4 Ų | 82.4 | 59.8 Ų | 59.8 | 43% | 0.431 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.9 | -45.8 | -178.6 | -174.3 | 74 | 0 | 0 | 0 | 112.9 | I1466 Y1467 I1585 E2125 M2126 L2127 | I1466-L2129 HydrophobicContact CG2-CD2 3.95Å; Y1467-L2129 HydrophobicContact CE2-CD2 4.01Å; Y1467-L2129 WeakPolarHBondContact OH-CD2 3.36Å; I1585-L2129 HydrophobicContact CB-CG 4.28Å; I1585-L2129 WeakPolarHBondContact CD1-O 3.48Å; I1585-L2129 HydrophobicContact CG1-CD1 4.38Å; I1585-L2129 HydrophobicContact CG1-CG 4.15Å; I1585-L2129 WeakPolarHBondContact CG1-O 3.24Å; I1585-L2129 VanDerWaalsContact CG2-C 3.41Å; I1585-L2129 HydrophobicContact CG2-CB 4.35Å; I1585-L2129 HydrophobicContact CG2-CD1 4.05Å; I1585-L2129 HydrophobicContact CG2-CD2 3.95Å; I1585-L2129 HydrophobicContact CG2-CG 3.44Å; I1585-L2129 VanDerWaalsContact CG2-CG 3.44Å; I1585-L2129 WeakPolarHBondContact CG2-O 3.24Å; E2125-L2129 WeakPolarHBondContact O-CB 3.42Å; E2125-L2129 PolarHBondContact O-N 3.26Å; E2125-L2129 VanDerWaalsContact O-N 3.13Å; M2126-L2129 HydrophobicContact CE-CD2 4.35Å; M2126-L2129 PolarHBondContact O-N 3.17Å; M2126-L2129 VanDerWaalsContact O-N 3.16Å; L2127-L2129 VanDerWaalsContact C-N 3.31Å; L2127-L2129 PolarHBondContact O-N 3.22Å |
| 2130 | L | 81.5 | Confident | 73.9 | Confident | 28.2 Ų | 28.2 | 61.1 Ų | 61.1 | 15% | 0.148 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -81 | -43 | -172.6 | -69.4 | 170.9 | 0 | 0 | 0 | 113.7 | I1466 I1585 F1586 I1950 K2086 M2126 L2127 | I1466-L2130 HydrophobicContact CD1-CD1 3.8Å; I1466-L2130 HydrophobicContact CD1-CD2 4.03Å; I1466-L2130 HydrophobicContact CD1-CG 4.15Å; I1585-L2130 HydrophobicContact CB-CD2 4.16Å; I1585-L2130 WeakPolarHBondContact CD1-O 2.88Å; I1585-L2130 HydrophobicContact CG2-CB 4.45Å; I1585-L2130 HydrophobicContact CG2-CD2 3.41Å; I1585-L2130 HydrophobicContact CG2-CG 4.03Å; F1586-L2130 HydrophobicContact CE1-CD2 4.3Å; F1586-L2130 HydrophobicContact CE2-CD2 4.33Å; F1586-L2130 HydrophobicContact CZ-CD2 4.11Å; I1950-L2130 HydrophobicContact CG2-CD1 4.49Å; I1950-L2130 HydrophobicContact CG2-CD2 3.99Å; K2086-L2130 WeakPolarHBondContact CD-O 3.38Å; K2086-L2130 PolarHBondContact NZ-O 3.39Å; M2126-L2130 HydrophobicContact CB-CD1 4.35Å; M2126-L2130 HydrophobicContact CE-CD1 4.46Å; M2126-L2130 VanDerWaalsContact O-CB 3.28Å; M2126-L2130 WeakPolarHBondContact O-CB 3.36Å; M2126-L2130 VanDerWaalsContact O-CG 3.28Å; M2126-L2130 WeakPolarHBondContact O-CG 3.43Å; M2126-L2130 PolarHBondContact O-N 3.21Å; L2127-L2130 PolarHBondContact O-N 2.82Å |
| 2131 | C | 77.9 | Confident | 71.9 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -98.7 | -0.6 | -172.9 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | C2090 L2127 Y2133 | C2090-C2131 PolarHBondContact SG-SG 3.5Å; C2090-C2131 VanDerWaalsContact SG-SG 3.65Å; L2127-C2131 HydrophobicContact CD1-CB 4.3Å; L2127-C2131 WeakPolarHBondContact O-CB 3.33Å; L2127-C2131 PolarHBondContact O-N 3.08Å; C2131-Y2133 PolarHBondContact O-N 3.12Å |
| 2132 | D | 69.8 | Low | 70.1 | Confident | 44.6 Ų | 44.6 | 72.7 Ų | 72.7 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | trans | 49.5 | 41.1 | -164.9 | -65.3 | -44 | 0 | 0 | 0 | 110.2 | R1958 F2078 K2128 K2134 | R1958-D2132 IonicContact CZ-OD1 3.22Å; R1958-D2132 IonicContact CZ-OD2 3.77Å; R1958-D2132 IonicContact NE-OD1 2.84Å; R1958-D2132 IonicContact NE-OD2 3.01Å; R1958-D2132 PolarHBondContact NE-OD2 2.87Å; R1958-D2132 IonicContact NH2-OD1 3.46Å; R1958-D2132 PolarHBondContact NH2-OD1 3.02Å; R1958-D2132 IonicContact NH2-OD2 3.21Å; R1958-D2132 PolarHBondContact NH2-OD2 3.13Å; F2078-D2132 HydrophobicContact CE1-CB 4.2Å; F2078-D2132 WeakPolarHBondContact CE1-OD2 3.22Å; K2128-D2132 VanDerWaalsContact O-CA 3.28Å; K2128-D2132 WeakPolarHBondContact O-CA 3.38Å; K2128-D2132 PolarHBondContact O-N 3.14Å; D2132-K2134 VanDerWaalsContact C-N 3.32Å; D2132-K2134 PolarHBondContact O-N 3.11Å | ||
| 2133 | Y | 71.5 | Confident | 68 | Low | 56.4 Ų | 56.4 | 74.1 Ų | 74.1 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | trans | -63.4 | 94.5 | -177.8 | 178.1 | -105.3 | 0 | 0 | 0 | 109.4 | L2127 K2128 C2131 V2135 A2192 H2193 V2196 | L2127-Y2133 HydrophobicContact CD2-CD1 4.2Å; L2127-Y2133 HydrophobicContact CD2-CD2 4.17Å; L2127-Y2133 HydrophobicContact CD2-CE1 4.5Å; L2127-Y2133 HydrophobicContact CD2-CE2 4.41Å; L2127-Y2133 HydrophobicContact CD2-CG 4.02Å; L2127-Y2133 HydrophobicContact CG-CG 4.21Å; L2127-Y2133 WeakPolarHBondContact O-CB 3.36Å; K2128-Y2133 HydrophobicContact CG-CD1 4.2Å; K2128-Y2133 PolarHBondContact O-N 3.21Å; C2131-Y2133 PolarHBondContact O-N 3.12Å; Y2133-V2135 HydrophobicContact CD1-CG2 3.73Å; Y2133-V2135 HydrophobicContact CE1-CG2 3.29Å; Y2133-V2135 PolarHBondContact O-N 3.32Å; Y2133-A2192 PolarHBondContact OH-O 3.13Å; Y2133-A2192 VanDerWaalsContact OH-O 3.11Å; Y2133-H2193 AromaticContact CE1-CD2 3.7Å; Y2133-V2196 HydrophobicContact CE2-CG2 4.41Å | ||
| 2134 | K | 68.1 | Low | 66 | Low | 147.8 Ų | 147.8 | 76.2 Ų | 76.2 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | trans | -80 | 122.1 | 177.2 | -70.8 | -170.7 | 179.9 | -174.6 | 0 | 109.1 | D2132 | D2132-K2134 VanDerWaalsContact C-N 3.32Å; D2132-K2134 PolarHBondContact O-N 3.11Å | ||
| 2135 | V | 61.5 | Low | 64 | Low | 25 Ų | 25 | 80.4 Ų | 80.4 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | trans | -101.4 | 137.7 | 168.2 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | Y2133 E2137 A2192 | Y2133-V2135 HydrophobicContact CD1-CG2 3.73Å; Y2133-V2135 HydrophobicContact CE1-CG2 3.29Å; Y2133-V2135 PolarHBondContact O-N 3.32Å; V2135-E2137 VanDerWaalsContact C-N 3.3Å; V2135-E2137 PolarHBondContact O-N 3.33Å; V2135-A2192 HydrophobicContact CB-CB 4.35Å; V2135-A2192 HydrophobicContact CG1-CB 3.18Å; V2135-A2192 VanDerWaalsContact CG1-O 3.31Å; V2135-A2192 WeakPolarHBondContact CG1-O 3.12Å; V2135-A2192 HydrophobicContact CG2-CB 4.25Å | ||
| 2136 | D | 56.1 | Low | 62.1 | Low | 99.6 Ų | 99.6 | 81.7 Ų | 81.7 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | trans | -65.2 | 86.8 | 170.8 | -91 | -40.9 | 0 | 0 | 0 | 110.4 | R2138 Q2139 | D2136-R2138 PolarHBondContact O-N 3.1Å; D2136-R2138 IonicContact OD1-CZ 3.42Å; D2136-R2138 IonicContact OD1-NE 3.51Å; D2136-R2138 PolarHBondContact OD1-NE 3.22Å; D2136-R2138 IonicContact OD1-NH2 3.33Å; D2136-R2138 PolarHBondContact OD1-NH2 3.13Å; D2136-Q2139 HydrophobicContact CB-CG 4.38Å; D2136-Q2139 WeakPolarHBondContact O-CB 3.36Å; D2136-Q2139 PolarHBondContact O-N 3.14Å | ||
| 2137 | E | 52.7 | Low | 60.1 | Low | 108.4 Ų | 108.4 | 82.1 Ų | 82.1 | 51% | 0.507 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.6 | 173.7 | -62.5 | -155.8 | 164.1 | 0 | 0 | 112.5 | K2128 V2135 Q2139 L2140 E2141 | K2128-E2137 IonicContact NZ-OE1 3.76Å; K2128-E2137 PolarHBondContact NZ-OE1 3.19Å; V2135-E2137 VanDerWaalsContact C-N 3.3Å; V2135-E2137 PolarHBondContact O-N 3.33Å; E2137-Q2139 VanDerWaalsContact C-N 3.26Å; E2137-Q2139 PolarHBondContact O-N 3.19Å; E2137-L2140 HydrophobicContact CB-CB 4.35Å; E2137-L2140 HydrophobicContact CB-CD1 3.91Å; E2137-L2140 HydrophobicContact CB-CG 4.48Å; E2137-L2140 HydrophobicContact CG-CD1 3.8Å; E2137-L2140 VanDerWaalsContact O-CA 3.24Å; E2137-L2140 WeakPolarHBondContact O-CA 3.18Å; E2137-L2140 VanDerWaalsContact O-CB 3.31Å; E2137-L2140 WeakPolarHBondContact O-CB 3.39Å; E2137-L2140 WeakPolarHBondContact O-CG 3.33Å; E2137-L2140 PolarHBondContact O-N 3.22Å; E2137-E2141 PolarHBondContact O-N 3.09Å |
| 2138 | R | 50.9 | Low | 58 | Low | 166 Ų | 166 | 87.3 Ų | 87.3 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -31.5 | 172.3 | -70.7 | 177.2 | -89.5 | -173.2 | -2.3 | 112.3 | D2073 D2136 L2140 E2141 D2142 | D2073-R2138 VanDerWaalsContact CG-NH2 3.35Å; D2073-R2138 IonicContact OD1-CZ 2.76Å; D2073-R2138 IonicContact OD1-NH1 4Å; D2073-R2138 IonicContact OD1-NH2 3.97Å; D2073-R2138 PolarHBondContact OD1-NH2 2.85Å; D2073-R2138 IonicContact OD2-CZ 3.68Å; D2073-R2138 IonicContact OD2-NH1 3.95Å; D2073-R2138 PolarHBondContact OD2-NH1 2.72Å; D2073-R2138 IonicContact OD2-NH2 3.26Å; D2073-R2138 PolarHBondContact OD2-NH2 2.69Å; D2136-R2138 PolarHBondContact O-N 3.1Å; D2136-R2138 IonicContact OD1-CZ 3.42Å; D2136-R2138 IonicContact OD1-NE 3.51Å; D2136-R2138 PolarHBondContact OD1-NE 3.22Å; D2136-R2138 IonicContact OD1-NH2 3.33Å; D2136-R2138 PolarHBondContact OD1-NH2 3.13Å; R2138-L2140 VanDerWaalsContact C-N 3.31Å; R2138-L2140 PolarHBondContact O-N 3.25Å; R2138-L2140 VanDerWaalsContact O-N 3.12Å; R2138-E2141 PolarHBondContact O-N 3.18Å; R2138-D2142 PolarHBondContact O-N 3.18Å |
| 2139 | Q | 48.5 | Very low | 56 | Low | 138 Ų | 138 | 91.5 Ų | 91.5 | 65% | 0.645 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.2 | -13.6 | 170.8 | -65.1 | -169 | -10.7 | 0 | 0 | 113.1 | D2136 E2137 R2188 | D2136-Q2139 HydrophobicContact CB-CG 4.38Å; D2136-Q2139 WeakPolarHBondContact O-CB 3.36Å; D2136-Q2139 PolarHBondContact O-N 3.14Å; E2137-Q2139 VanDerWaalsContact C-N 3.26Å; E2137-Q2139 PolarHBondContact O-N 3.19Å; Q2139-R2188 WeakPolarHBondContact O-CD 3.24Å; Q2139-R2188 WeakPolarHBondContact O-CG 3.24Å; Q2139-R2188 PolarHBondContact O-NE 3.02Å |
| 2140 | L | 49.7 | Very low | 54.1 | Low | 40.6 Ų | 40.6 | 93.9 Ų | 93.9 | 21% | 0.213 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -84.3 | -26.9 | 176.9 | -69.6 | 158.3 | 0 | 0 | 0 | 112.9 | E2137 R2138 R2188 A2191 | E2137-L2140 HydrophobicContact CB-CB 4.35Å; E2137-L2140 HydrophobicContact CB-CD1 3.91Å; E2137-L2140 HydrophobicContact CB-CG 4.48Å; E2137-L2140 HydrophobicContact CG-CD1 3.8Å; E2137-L2140 VanDerWaalsContact O-CA 3.24Å; E2137-L2140 WeakPolarHBondContact O-CA 3.18Å; E2137-L2140 VanDerWaalsContact O-CB 3.31Å; E2137-L2140 WeakPolarHBondContact O-CB 3.39Å; E2137-L2140 WeakPolarHBondContact O-CG 3.33Å; E2137-L2140 PolarHBondContact O-N 3.22Å; R2138-L2140 VanDerWaalsContact C-N 3.31Å; R2138-L2140 PolarHBondContact O-N 3.25Å; R2138-L2140 VanDerWaalsContact O-N 3.12Å; L2140-R2188 HydrophobicContact CB-CG 4.47Å; L2140-R2188 HydrophobicContact CD1-CB 4.2Å; L2140-R2188 HydrophobicContact CD1-CG 4.5Å; L2140-R2188 HydrophobicContact CD2-CB 3.65Å; L2140-R2188 HydrophobicContact CD2-CG 4.23Å; L2140-R2188 HydrophobicContact CG-CB 4.25Å; L2140-R2188 VanDerWaalsContact O-CZ 3.3Å; L2140-R2188 PolarHBondContact O-NE 3.31Å; L2140-R2188 PolarHBondContact O-NH1 3.13Å; L2140-A2191 HydrophobicContact CD2-CB 4.01Å |
| 2141 | E | 49.4 | Very low | 52 | Low | 138.6 Ų | 138.6 | 99.4 Ų | 99.4 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -95.8 | -37.7 | -172 | -66.6 | -170.2 | 162.9 | 0 | 0 | 114.5 | E2137 R2138 E2143 T2144 | E2137-E2141 PolarHBondContact O-N 3.09Å; R2138-E2141 PolarHBondContact O-N 3.18Å; E2141-E2143 VanDerWaalsContact C-N 3.31Å; E2141-E2143 PolarHBondContact O-N 3.13Å; E2141-E2143 VanDerWaalsContact O-N 3.15Å; E2141-T2144 WeakPolarHBondContact O-CB 3.36Å; E2141-T2144 WeakPolarHBondContact O-CG2 3.25Å; E2141-T2144 PolarHBondContact O-N 3.17Å; E2141-T2144 VanDerWaalsContact O-N 3.13Å; E2141-T2144 PolarHBondContact O-OG1 3.19Å |
| 2142 | D | 46.8 | Very low | 50 | Low | 126.2 Ų | 126.2 | 104.2 Ų | 104.2 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.6 | -165.4 | -78.9 | -24.7 | 0 | 0 | 0 | 115 | R2138 T2144 S2145 | R2138-D2142 PolarHBondContact O-N 3.18Å; D2142-T2144 VanDerWaalsContact C-N 3.28Å; D2142-T2144 PolarHBondContact O-N 3.25Å; D2142-S2145 PolarHBondContact O-OG 3.32Å |
| 2143 | E | 45.3 | Very low | 48.2 | Very low | 106.2 Ų | 106.2 | 106.5 Ų | 106.5 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 1.1 | -179.3 | -74.6 | -93.4 | 152.9 | 0 | 0 | 114 | E2141 S2145 E2146 T2147 R2188 | E2141-E2143 VanDerWaalsContact C-N 3.31Å; E2141-E2143 PolarHBondContact O-N 3.13Å; E2141-E2143 VanDerWaalsContact O-N 3.15Å; E2143-S2145 VanDerWaalsContact C-N 3.26Å; E2143-S2145 PolarHBondContact O-N 3.2Å; E2143-E2146 PolarHBondContact O-N 3.04Å; E2143-T2147 PolarHBondContact O-N 3.24Å; E2143-T2147 PolarHBondContact O-OG1 3.07Å; E2143-R2188 VanDerWaalsContact CB-NH2 3.28Å; E2143-R2188 IonicContact OE2-NH2 3.24Å; E2143-R2188 PolarHBondContact OE2-NH2 3.48Å |
| 2144 | T | 46.4 | Very low | 46.4 | Very low | 63.6 Ų | 63.6 | 110.3 Ų | 110.3 | 39% | 0.39 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -25.4 | 176.8 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | E2141 D2142 E2146 T2147 N2148 | E2141-T2144 WeakPolarHBondContact O-CB 3.36Å; E2141-T2144 WeakPolarHBondContact O-CG2 3.25Å; E2141-T2144 PolarHBondContact O-N 3.17Å; E2141-T2144 VanDerWaalsContact O-N 3.13Å; E2141-T2144 PolarHBondContact O-OG1 3.19Å; D2142-T2144 VanDerWaalsContact C-N 3.28Å; D2142-T2144 PolarHBondContact O-N 3.25Å; T2144-E2146 VanDerWaalsContact C-N 3.31Å; T2144-E2146 PolarHBondContact O-N 2.92Å; T2144-E2146 VanDerWaalsContact O-N 3.16Å; T2144-T2147 WeakPolarHBondContact CA-OG1 2.99Å; T2144-T2147 PolarHBondContact O-N 2.97Å; T2144-T2147 VanDerWaalsContact O-N 3.1Å; T2144-T2147 PolarHBondContact O-OG1 3.17Å; T2144-N2148 WeakPolarHBondContact O-CB 3.44Å; T2144-N2148 PolarHBondContact O-N 3.16Å; T2144-N2148 PolarHBondContact O-ND2 3.4Å |
| 2145 | S | 46.8 | Very low | 44.7 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 63% | 0.629 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.6 | -36.1 | 179.3 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | D2142 E2143 | D2142-S2145 PolarHBondContact O-OG 3.32Å; E2143-S2145 VanDerWaalsContact C-N 3.26Å; E2143-S2145 PolarHBondContact O-N 3.2Å |
| 2146 | E | 44.2 | Very low | 43.4 | Very low | 133.8 Ų | 133.8 | 112.1 Ų | 112.1 | 63% | 0.625 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -78.2 | -28.5 | 178 | -65.3 | -155.6 | 160.8 | 0 | 0 | 113 | E2143 T2144 N2148 H2149 | E2143-E2146 PolarHBondContact O-N 3.04Å; T2144-E2146 VanDerWaalsContact C-N 3.31Å; T2144-E2146 PolarHBondContact O-N 2.92Å; T2144-E2146 VanDerWaalsContact O-N 3.16Å; E2146-N2148 VanDerWaalsContact C-N 3.33Å; E2146-N2148 PolarHBondContact O-N 3.14Å; E2146-H2149 PolarHBondContact O-N 3.07Å |
| 2147 | T | 44.4 | Very low | 42.3 | Very low | 48.2 Ų | 48.2 | 112.3 Ų | 112.3 | 30% | 0.296 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.8 | -33.3 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | E2143 T2144 H2149 F2150 V2184 | E2143-T2147 PolarHBondContact O-N 3.24Å; E2143-T2147 PolarHBondContact O-OG1 3.07Å; T2144-T2147 WeakPolarHBondContact CA-OG1 2.99Å; T2144-T2147 PolarHBondContact O-N 2.97Å; T2144-T2147 VanDerWaalsContact O-N 3.1Å; T2144-T2147 PolarHBondContact O-OG1 3.17Å; T2147-H2149 VanDerWaalsContact C-N 3.31Å; T2147-H2149 PolarHBondContact O-N 3.1Å; T2147-F2150 PolarHBondContact O-N 3.04Å; T2147-V2184 HydrophobicContact CG2-CG1 4.26Å |
| 2148 | N | 41 | Very low | 41.6 | Very low | 111.4 Ų | 111.4 | 111.9 Ų | 111.9 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.1 | -26.7 | 178.4 | -82.2 | -21.6 | 0 | 0 | 0 | 112.9 | T2144 E2146 F2150 F2151 V2152 | T2144-N2148 WeakPolarHBondContact O-CB 3.44Å; T2144-N2148 PolarHBondContact O-N 3.16Å; T2144-N2148 PolarHBondContact O-ND2 3.4Å; E2146-N2148 VanDerWaalsContact C-N 3.33Å; E2146-N2148 PolarHBondContact O-N 3.14Å; N2148-F2150 VanDerWaalsContact C-N 3.31Å; N2148-F2150 PolarHBondContact O-N 3.11Å; N2148-F2150 VanDerWaalsContact O-N 3.15Å; N2148-F2151 PolarHBondContact O-N 3.18Å; N2148-V2152 WeakPolarHBondContact O-CB 3.28Å; N2148-V2152 WeakPolarHBondContact O-CG2 3.43Å; N2148-V2152 PolarHBondContact O-N 3.18Å |
| 2149 | H | 41 | Very low | 41 | Very low | 157.4 Ų | 157.4 | 108.7 Ų | 108.7 | 73% | 0.729 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -11.5 | -177.3 | -138 | -59.6 | 0 | 0 | 0 | 114 | E2146 T2147 V2152 | E2146-H2149 PolarHBondContact O-N 3.07Å; T2147-H2149 VanDerWaalsContact C-N 3.31Å; T2147-H2149 PolarHBondContact O-N 3.1Å; H2149-V2152 VanDerWaalsContact O-CG2 3.24Å; H2149-V2152 WeakPolarHBondContact O-CG2 3.4Å |
| 2150 | F | 41.5 | Very low | 40.6 | Very low | 133.2 Ų | 133.2 | 104.8 Ų | 104.8 | 58% | 0.584 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -92.4 | -21.4 | 175.2 | -163.9 | -97.6 | 0 | 0 | 0 | 113.6 | T2147 N2148 V2152 R2173 A2177 | T2147-F2150 PolarHBondContact O-N 3.04Å; N2148-F2150 VanDerWaalsContact C-N 3.31Å; N2148-F2150 PolarHBondContact O-N 3.11Å; N2148-F2150 VanDerWaalsContact O-N 3.15Å; F2150-V2152 VanDerWaalsContact C-N 3.27Å; F2150-V2152 PolarHBondContact O-N 3.2Å; F2150-V2152 VanDerWaalsContact O-N 3.16Å; F2150-R2173 HydrophobicContact CE1-CB 4.3Å; F2150-R2173 HydrophobicContact CZ-CB 4.18Å; F2150-R2173 HydrophobicContact CZ-CG 4.15Å; F2150-A2177 HydrophobicContact CD1-CB 4.17Å; F2150-A2177 HydrophobicContact CE1-CB 3.77Å; F2150-A2177 HydrophobicContact CZ-CB 3.9Å |
| 2151 | F | 37.9 | Very low | 40.3 | Very low | 144.4 Ų | 144.4 | 106.5 Ų | 106.5 | 63% | 0.633 | 63% | 0.632 | S | S | * | * | trans | -91.1 | 34.8 | 178.4 | -106.9 | -89.6 | 0 | 0 | 0 | 112.3 | N2148 S2153 A2177 | N2148-F2151 PolarHBondContact O-N 3.18Å; F2151-S2153 PolarHBondContact O-N 2.96Å; F2151-S2153 VanDerWaalsContact O-N 3.13Å; F2151-A2177 HydrophobicContact CD1-CB 3.81Å; F2151-A2177 HydrophobicContact CE1-CB 3.93Å; F2151-A2177 HydrophobicContact CE2-CB 4.13Å; F2151-A2177 HydrophobicContact CG-CB 4.4Å; F2151-A2177 HydrophobicContact CZ-CB 4.04Å | ||
| 2152 | V | 36.3 | Very low | 40 | Very low | 107.8 Ų | 107.8 | 103.4 Ų | 103.4 | 65% | 0.653 | 63% | 0.63 | S | S | * | * | trans | -76.8 | 89.9 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | N2148 H2149 F2150 L2154 | N2148-V2152 WeakPolarHBondContact O-CB 3.28Å; N2148-V2152 WeakPolarHBondContact O-CG2 3.43Å; N2148-V2152 PolarHBondContact O-N 3.18Å; H2149-V2152 VanDerWaalsContact O-CG2 3.24Å; H2149-V2152 WeakPolarHBondContact O-CG2 3.4Å; F2150-V2152 VanDerWaalsContact C-N 3.27Å; F2150-V2152 PolarHBondContact O-N 3.2Å; F2150-V2152 VanDerWaalsContact O-N 3.16Å; V2152-L2154 PolarHBondContact O-N 3.06Å; V2152-L2154 VanDerWaalsContact O-N 3.14Å | ||
| 2153 | S | 32.4 | Very low | 40.3 | Very low | 94.2 Ų | 94.2 | 99.6 Ų | 99.6 | 66% | 0.659 | 62% | 0.617 | S | S | * | * | trans | -24.2 | 74.1 | 162.3 | 172.2 | 0 | 0 | 0 | 0 | 114.3 | F2151 S2155 | F2151-S2153 PolarHBondContact O-N 2.96Å; F2151-S2153 VanDerWaalsContact O-N 3.13Å; S2153-S2155 PolarHBondContact O-N 2.83Å | ||
| 2154 | L | 34.5 | Very low | 40.9 | Very low | 135.8 Ų | 135.8 | 100.7 Ų | 100.7 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | trans | -92.4 | 60.5 | 169.3 | -154.5 | 77.5 | 0 | 0 | 0 | 110.6 | V2152 V2156 | V2152-L2154 PolarHBondContact O-N 3.06Å; V2152-L2154 VanDerWaalsContact O-N 3.14Å; L2154-V2156 VanDerWaalsContact C-N 3.29Å; L2154-V2156 HydrophobicContact CD1-CG2 3.95Å; L2154-V2156 HydrophobicContact CD2-CG2 4.3Å; L2154-V2156 HydrophobicContact CG-CG2 3.97Å; L2154-V2156 PolarHBondContact O-N 2.89Å; L2154-V2156 VanDerWaalsContact O-N 3.15Å | ||
| 2155 | S | 30.8 | Very low | 41.5 | Very low | 101.6 Ų | 101.6 | 103.6 Ų | 103.6 | 71% | 0.71 | 63% | 0.634 | S | S | * | * | trans | -88.5 | 85 | 166.1 | 66 | 0 | 0 | 0 | 0 | 109.8 | S2153 | S2153-S2155 PolarHBondContact O-N 2.83Š| ||
| 2156 | V | 35.3 | Very low | 42.7 | Very low | 110 Ų | 110 | 103.6 Ų | 103.6 | 67% | 0.667 | 62% | 0.624 | S | S | * | * | trans | -117.3 | 104.1 | 164.3 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | L2154 S2158 | L2154-V2156 VanDerWaalsContact C-N 3.29Å; L2154-V2156 HydrophobicContact CD1-CG2 3.95Å; L2154-V2156 HydrophobicContact CD2-CG2 4.3Å; L2154-V2156 HydrophobicContact CG-CG2 3.97Å; L2154-V2156 PolarHBondContact O-N 2.89Å; L2154-V2156 VanDerWaalsContact O-N 3.15Å; V2156-S2158 VanDerWaalsContact C-N 3.31Å; V2156-S2158 PolarHBondContact O-N 3.26Å | ||
| 2157 | A | 32.8 | Very low | 44 | Very low | 103.2 Ų | 103.2 | 102.2 Ų | 102.2 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | trans | -59.8 | 119.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2158 | S | 38.6 | Very low | 45.3 | Very low | 99.8 Ų | 99.8 | 101.9 Ų | 101.9 | 70% | 0.698 | 62% | 0.62 | S | S | * | * | trans | -145.1 | 109.3 | 164.4 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | V2156 A2163 | V2156-S2158 VanDerWaalsContact C-N 3.31Å; V2156-S2158 PolarHBondContact O-N 3.26Å; S2158-A2163 VanDerWaalsContact O-CB 3.3Å; S2158-A2163 WeakPolarHBondContact O-CB 3.49Å | ||
| 2159 | A | 37.1 | Very low | 46.9 | Very low | 98.4 Ų | 98.4 | 99.8 Ų | 99.8 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | trans | -61.7 | 121.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2161 | A2159-A2161 PolarHBondContact O-N 3.07Š| ||
| 2160 | G | 41 | Very low | 48.5 | Very low | 56 Ų | 56 | 96 Ų | 96 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 121.1 | 101 | 156.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | A2162 A2163 R2442 | G2160-A2162 VanDerWaalsContact C-N 3.3Å; G2160-A2162 PolarHBondContact O-N 3.3Å; G2160-A2163 WeakPolarHBondContact O-CA 3.44Å; G2160-A2163 WeakPolarHBondContact O-CB 3.27Å; G2160-A2163 PolarHBondContact O-N 3.27Å; G2160-R2442 PolarHBondContact O-NH2 3.15Å |
| 2161 | A | 43.1 | Very low | 50.1 | Low | 75.8 Ų | 75.8 | 93.8 Ų | 93.8 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 25.5 | -25.6 | 165 | 0 | 0 | 0 | 0 | 0 | 118.9 | A2159 A2163 R2442 | A2159-A2161 PolarHBondContact O-N 3.07Å; A2161-A2163 PolarHBondContact O-N 3.13Å; A2161-R2442 VanDerWaalsContact CA-NH1 3.28Å; A2161-R2442 VanDerWaalsContact CA-NH2 3.28Å; A2161-R2442 HydrophobicContact CB-CB 4.48Å; A2161-R2442 HydrophobicContact CB-CG 3.95Å; A2161-R2442 PolarHBondContact O-NH1 3.27Å; A2161-R2442 PolarHBondContact O-NH2 3.26Å |
| 2162 | A | 43.9 | Very low | 51.7 | Low | 74.8 Ų | 74.8 | 91.1 Ų | 91.1 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -2.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G2160 E2164 H2166 | G2160-A2162 VanDerWaalsContact C-N 3.3Å; G2160-A2162 PolarHBondContact O-N 3.3Å; A2162-E2164 PolarHBondContact O-N 3.15Å; A2162-H2166 WeakPolarHBondContact O-CA 3.41Å; A2162-H2166 WeakPolarHBondContact O-CB 3.37Å; A2162-H2166 PolarHBondContact O-N 3.26Å |
| 2163 | A | 52.7 | Low | 53.6 | Low | 46.2 Ų | 46.2 | 93.3 Ų | 93.3 | 38% | 0.382 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.7 | -35.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S2158 G2160 A2161 L2165 H2166 E2167 | S2158-A2163 VanDerWaalsContact O-CB 3.3Å; S2158-A2163 WeakPolarHBondContact O-CB 3.49Å; G2160-A2163 WeakPolarHBondContact O-CA 3.44Å; G2160-A2163 WeakPolarHBondContact O-CB 3.27Å; G2160-A2163 PolarHBondContact O-N 3.27Å; A2161-A2163 PolarHBondContact O-N 3.13Å; A2163-L2165 PolarHBondContact O-N 3.24Å; A2163-H2166 HydrophobicContact CB-CB 3.61Å; A2163-H2166 CarbonylContact O-C 3.56Å; A2163-H2166 WeakPolarHBondContact O-CA 3.3Å; A2163-H2166 WeakPolarHBondContact O-CB 3.35Å; A2163-H2166 PolarHBondContact O-N 3.27Å; A2163-E2167 WeakPolarHBondContact O-CA 3.37Å; A2163-E2167 WeakPolarHBondContact O-CB 3.33Å; A2163-E2167 PolarHBondContact O-N 3.2Å |
| 2164 | E | 57.6 | Low | 55.7 | Low | 128.6 Ų | 128.6 | 94.3 Ų | 94.3 | 60% | 0.601 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.2 | -43.7 | -178 | -73.3 | 175.9 | -169.4 | 0 | 0 | 113.1 | A2162 H2166 E2167 A2168 R2442 | A2162-E2164 PolarHBondContact O-N 3.15Å; E2164-H2166 VanDerWaalsContact C-N 3.34Å; E2164-E2167 PolarHBondContact O-N 3.2Å; E2164-A2168 WeakPolarHBondContact O-CB 3.41Å; E2164-A2168 PolarHBondContact O-N 3.01Å; E2164-R2442 VanDerWaalsContact CG-NH2 3.31Å; E2164-R2442 IonicContact OE1-CZ 3.97Å; E2164-R2442 IonicContact OE1-NH2 2.85Å; E2164-R2442 PolarHBondContact OE1-NH2 2.87Å; E2164-R2442 IonicContact OE2-CZ 2.67Å; E2164-R2442 IonicContact OE2-NH1 2.81Å; E2164-R2442 IonicContact OE2-NH2 3.93Å; E2164-R2442 PolarHBondContact OE2-NH2 2.78Å |
| 2165 | L | 58.6 | Low | 57.6 | Low | 124.6 Ų | 124.6 | 92.2 Ų | 92.2 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.4 | -40.1 | 175.6 | -177.4 | 72.4 | 0 | 0 | 0 | 111 | A2163 E2167 A2168 I2169 | A2163-L2165 PolarHBondContact O-N 3.24Å; L2165-E2167 VanDerWaalsContact C-N 3.32Å; L2165-A2168 PolarHBondContact O-N 3.25Å; L2165-I2169 HydrophobicContact CD1-CD1 4.39Å; L2165-I2169 HydrophobicContact CD2-CD1 4.4Å; L2165-I2169 HydrophobicContact CG-CD1 3.96Å; L2165-I2169 WeakPolarHBondContact O-CB 3.34Å; L2165-I2169 WeakPolarHBondContact O-CD1 3.18Å; L2165-I2169 VanDerWaalsContact O-CG1 3.23Å; L2165-I2169 WeakPolarHBondContact O-CG1 3.36Å; L2165-I2169 PolarHBondContact O-N 3.15Å |
| 2166 | H | 72 | Confident | 59.4 | Low | 91.4 Ų | 91.4 | 90.1 Ų | 90.1 | 42% | 0.423 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.3 | -173 | 67.8 | 0 | 0 | 0 | 111.2 | A2162 A2163 E2164 I2169 Q2170 | A2162-H2166 WeakPolarHBondContact O-CA 3.41Å; A2162-H2166 WeakPolarHBondContact O-CB 3.37Å; A2162-H2166 PolarHBondContact O-N 3.26Å; A2163-H2166 HydrophobicContact CB-CB 3.61Å; A2163-H2166 CarbonylContact O-C 3.56Å; A2163-H2166 WeakPolarHBondContact O-CA 3.3Å; A2163-H2166 WeakPolarHBondContact O-CB 3.35Å; A2163-H2166 PolarHBondContact O-N 3.27Å; E2164-H2166 VanDerWaalsContact C-N 3.34Å; H2166-I2169 PolarHBondContact O-N 3.02Å; H2166-Q2170 PolarHBondContact CD2-NE2 3.18Å; H2166-Q2170 VanDerWaalsContact CD2-NE2 3.29Å; H2166-Q2170 PolarHBondContact NE2-NE2 3.14Å; H2166-Q2170 WeakPolarHBondContact O-CB 3.38Å; H2166-Q2170 VanDerWaalsContact O-CG 3.26Å; H2166-Q2170 WeakPolarHBondContact O-CG 3.37Å; H2166-Q2170 PolarHBondContact O-N 3.28Å |
| 2167 | E | 71 | Confident | 61.3 | Low | 102.8 Ų | 102.8 | 85.8 Ų | 85.8 | 48% | 0.48 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 175.6 | -175.6 | 174.7 | -174.8 | 0 | 0 | 110.9 | A2163 E2164 L2165 I2169 Q2170 Q2171 | A2163-E2167 WeakPolarHBondContact O-CA 3.37Å; A2163-E2167 WeakPolarHBondContact O-CB 3.33Å; A2163-E2167 PolarHBondContact O-N 3.2Å; E2164-E2167 PolarHBondContact O-N 3.2Å; L2165-E2167 VanDerWaalsContact C-N 3.32Å; E2167-I2169 VanDerWaalsContact C-N 3.34Å; E2167-I2169 PolarHBondContact O-N 3Å; E2167-Q2170 CarbonylContact O-C 3.54Å; E2167-Q2170 WeakPolarHBondContact O-CB 3.42Å; E2167-Q2170 PolarHBondContact O-N 3.06Å; E2167-Q2170 VanDerWaalsContact O-N 3.15Å; E2167-Q2171 HydrophobicContact CG-CG 4.45Å; E2167-Q2171 WeakPolarHBondContact O-CB 3.37Å; E2167-Q2171 VanDerWaalsContact O-CG 3.28Å; E2167-Q2171 WeakPolarHBondContact O-CG 3.39Å; E2167-Q2171 PolarHBondContact O-N 3.13Å |
| 2168 | A | 72.6 | Confident | 63.2 | Low | 42.4 Ų | 42.4 | 84.5 Ų | 84.5 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E2164 L2165 Q2170 Q2171 D2172 | E2164-A2168 WeakPolarHBondContact O-CB 3.41Å; E2164-A2168 PolarHBondContact O-N 3.01Å; L2165-A2168 PolarHBondContact O-N 3.25Å; A2168-Q2170 VanDerWaalsContact C-N 3.34Å; A2168-Q2170 PolarHBondContact O-N 3.46Å; A2168-Q2171 PolarHBondContact O-N 3.14Å; A2168-D2172 WeakPolarHBondContact O-CB 3.38Å; A2168-D2172 PolarHBondContact O-N 3.29Å |
| 2169 | I | 75 | Confident | 64.6 | Low | 68.4 Ų | 68.4 | 84.3 Ų | 84.3 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 174.9 | -68.5 | 166.1 | 0 | 0 | 0 | 111.1 | L2165 H2166 E2167 D2172 R2173 | L2165-I2169 HydrophobicContact CD1-CD1 4.39Å; L2165-I2169 HydrophobicContact CD2-CD1 4.4Å; L2165-I2169 HydrophobicContact CG-CD1 3.96Å; L2165-I2169 WeakPolarHBondContact O-CB 3.34Å; L2165-I2169 WeakPolarHBondContact O-CD1 3.18Å; L2165-I2169 VanDerWaalsContact O-CG1 3.23Å; L2165-I2169 WeakPolarHBondContact O-CG1 3.36Å; L2165-I2169 PolarHBondContact O-N 3.15Å; H2166-I2169 PolarHBondContact O-N 3.02Å; E2167-I2169 VanDerWaalsContact C-N 3.34Å; E2167-I2169 PolarHBondContact O-N 3Å; I2169-D2172 PolarHBondContact O-N 3.15Å; I2169-R2173 WeakPolarHBondContact O-CB 3.29Å; I2169-R2173 VanDerWaalsContact O-CG 3.28Å; I2169-R2173 WeakPolarHBondContact O-CG 3.31Å; I2169-R2173 PolarHBondContact O-N 3.22Å |
| 2170 | Q | 74.6 | Confident | 66.3 | Low | 76.4 Ų | 76.4 | 82.1 Ų | 82.1 | 36% | 0.357 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.6 | -79 | -173.8 | -1.2 | 0 | 0 | 111.2 | H2166 E2167 A2168 R2173 Q2174 | H2166-Q2170 PolarHBondContact CD2-NE2 3.18Å; H2166-Q2170 VanDerWaalsContact CD2-NE2 3.29Å; H2166-Q2170 PolarHBondContact NE2-NE2 3.14Å; H2166-Q2170 WeakPolarHBondContact O-CB 3.38Å; H2166-Q2170 VanDerWaalsContact O-CG 3.26Å; H2166-Q2170 WeakPolarHBondContact O-CG 3.37Å; H2166-Q2170 PolarHBondContact O-N 3.28Å; E2167-Q2170 CarbonylContact O-C 3.54Å; E2167-Q2170 WeakPolarHBondContact O-CB 3.42Å; E2167-Q2170 PolarHBondContact O-N 3.06Å; E2167-Q2170 VanDerWaalsContact O-N 3.15Å; A2168-Q2170 VanDerWaalsContact C-N 3.34Å; A2168-Q2170 PolarHBondContact O-N 3.46Å; Q2170-R2173 WeakPolarHBondContact O-CB 3.48Å; Q2170-R2173 PolarHBondContact O-N 3.08Å; Q2170-Q2174 WeakPolarHBondContact O-CB 3.22Å; Q2170-Q2174 VanDerWaalsContact O-CG 3.29Å; Q2170-Q2174 WeakPolarHBondContact O-CG 3.37Å; Q2170-Q2174 PolarHBondContact O-N 3.1Å |
| 2171 | Q | 73.3 | Confident | 67.9 | Low | 86.6 Ų | 86.6 | 83.3 Ų | 83.3 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.1 | -73.2 | 179.6 | 6.5 | 0 | 0 | 111.1 | E2167 A2168 R2173 Q2174 K2175 | E2167-Q2171 HydrophobicContact CG-CG 4.45Å; E2167-Q2171 WeakPolarHBondContact O-CB 3.37Å; E2167-Q2171 VanDerWaalsContact O-CG 3.28Å; E2167-Q2171 WeakPolarHBondContact O-CG 3.39Å; E2167-Q2171 PolarHBondContact O-N 3.13Å; A2168-Q2171 PolarHBondContact O-N 3.14Å; Q2171-R2173 VanDerWaalsContact C-N 3.34Å; Q2171-R2173 PolarHBondContact O-N 3.03Å; Q2171-Q2174 PolarHBondContact O-N 3.25Å; Q2171-K2175 WeakPolarHBondContact O-CB 3.28Å; Q2171-K2175 VanDerWaalsContact O-CG 3.28Å; Q2171-K2175 WeakPolarHBondContact O-CG 3.37Å; Q2171-K2175 PolarHBondContact O-N 3.09Å |
| 2172 | D | 71.6 | Confident | 69.2 | Low | 89 Ų | 89 | 84 Ų | 84 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 174.8 | -80.8 | -8.4 | 0 | 0 | 0 | 111.4 | A2168 I2169 Q2174 K2175 L2176 | A2168-D2172 WeakPolarHBondContact O-CB 3.38Å; A2168-D2172 PolarHBondContact O-N 3.29Å; I2169-D2172 PolarHBondContact O-N 3.15Å; D2172-Q2174 VanDerWaalsContact C-N 3.35Å; D2172-Q2174 PolarHBondContact O-N 3.01Å; D2172-K2175 WeakPolarHBondContact O-CB 3.33Å; D2172-K2175 PolarHBondContact O-N 3.02Å; D2172-L2176 WeakPolarHBondContact O-CB 3.43Å; D2172-L2176 VanDerWaalsContact O-CG 3.26Å; D2172-L2176 WeakPolarHBondContact O-CG 3.4Å; D2172-L2176 PolarHBondContact O-N 3.16Å |
| 2173 | R | 77 | Confident | 70.6 | Confident | 153 Ų | 153 | 81.4 Ų | 81.4 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | 174.7 | -79.1 | 178.2 | 168.6 | -176.3 | -3.2 | 112.5 | F2150 I2169 Q2170 Q2171 L2176 A2177 | F2150-R2173 HydrophobicContact CE1-CB 4.3Å; F2150-R2173 HydrophobicContact CZ-CB 4.18Å; F2150-R2173 HydrophobicContact CZ-CG 4.15Å; I2169-R2173 WeakPolarHBondContact O-CB 3.29Å; I2169-R2173 VanDerWaalsContact O-CG 3.28Å; I2169-R2173 WeakPolarHBondContact O-CG 3.31Å; I2169-R2173 PolarHBondContact O-N 3.22Å; Q2170-R2173 WeakPolarHBondContact O-CB 3.48Å; Q2170-R2173 PolarHBondContact O-N 3.08Å; Q2171-R2173 VanDerWaalsContact C-N 3.34Å; Q2171-R2173 PolarHBondContact O-N 3.03Å; R2173-L2176 PolarHBondContact O-N 2.83Å; R2173-A2177 VanDerWaalsContact O-CB 3.29Å; R2173-A2177 WeakPolarHBondContact O-CB 3.32Å; R2173-A2177 PolarHBondContact O-N 3.1Å |
| 2174 | Q | 76.3 | Confident | 71.7 | Confident | 116.4 Ų | 116.4 | 80.2 Ų | 80.2 | 54% | 0.544 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 175.3 | -73.9 | 173.5 | -1.9 | 0 | 0 | 111.2 | Q2170 Q2171 D2172 L2176 A2177 I2178 | Q2170-Q2174 WeakPolarHBondContact O-CB 3.22Å; Q2170-Q2174 VanDerWaalsContact O-CG 3.29Å; Q2170-Q2174 WeakPolarHBondContact O-CG 3.37Å; Q2170-Q2174 PolarHBondContact O-N 3.1Å; Q2171-Q2174 PolarHBondContact O-N 3.25Å; D2172-Q2174 VanDerWaalsContact C-N 3.35Å; D2172-Q2174 PolarHBondContact O-N 3.01Å; Q2174-L2176 VanDerWaalsContact C-N 3.32Å; Q2174-L2176 PolarHBondContact O-N 3.05Å; Q2174-A2177 WeakPolarHBondContact O-CB 3.41Å; Q2174-A2177 PolarHBondContact O-N 3.07Å; Q2174-I2178 WeakPolarHBondContact O-CB 3.42Å; Q2174-I2178 VanDerWaalsContact O-CG1 3.27Å; Q2174-I2178 WeakPolarHBondContact O-CG1 3.35Å; Q2174-I2178 PolarHBondContact O-N 2.95Å |
| 2175 | K | 73.6 | Confident | 72.7 | Confident | 90.4 Ų | 90.4 | 79.4 Ų | 79.4 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.5 | -73.6 | 175.3 | -177.9 | 179 | 0 | 111.3 | Y1496 Q2171 D2172 I2178 R2179 D2341 | Y1496-K2175 WeakPolarHBondContact OH-CG 2.95Å; Q2171-K2175 WeakPolarHBondContact O-CB 3.28Å; Q2171-K2175 VanDerWaalsContact O-CG 3.28Å; Q2171-K2175 WeakPolarHBondContact O-CG 3.37Å; Q2171-K2175 PolarHBondContact O-N 3.09Å; D2172-K2175 WeakPolarHBondContact O-CB 3.33Å; D2172-K2175 PolarHBondContact O-N 3.02Å; K2175-I2178 PolarHBondContact O-N 3.22Å; K2175-R2179 WeakPolarHBondContact O-CB 3.31Å; K2175-R2179 VanDerWaalsContact O-CG 3.28Å; K2175-R2179 WeakPolarHBondContact O-CG 3.34Å; K2175-R2179 PolarHBondContact O-N 3.09Å; K2175-D2341 VanDerWaalsContact NZ-CG 3.33Å; K2175-D2341 IonicContact NZ-OD1 3.45Å; K2175-D2341 PolarHBondContact NZ-OD1 2.68Å; K2175-D2341 VanDerWaalsContact NZ-OD1 3.15Å; K2175-D2341 IonicContact NZ-OD2 3.86Å; K2175-D2341 PolarHBondContact NZ-OD2 3.37Å |
| 2176 | L | 70 | Confident | 73.8 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.3 | -73.1 | 175.8 | 0 | 0 | 0 | 112.3 | D2172 R2173 Q2174 R2179 W2180 L2239 P2244 F2246 | D2172-L2176 WeakPolarHBondContact O-CB 3.43Å; D2172-L2176 VanDerWaalsContact O-CG 3.26Å; D2172-L2176 WeakPolarHBondContact O-CG 3.4Å; D2172-L2176 PolarHBondContact O-N 3.16Å; R2173-L2176 PolarHBondContact O-N 2.83Å; Q2174-L2176 VanDerWaalsContact C-N 3.32Å; Q2174-L2176 PolarHBondContact O-N 3.05Å; L2176-R2179 PolarHBondContact O-N 3.18Å; L2176-W2180 WeakPolarHBondContact O-CB 3.27Å; L2176-W2180 PolarHBondContact O-N 3.04Å; L2176-L2239 HydrophobicContact CD2-CD2 4.31Å; L2176-L2239 WeakPolarHBondContact CD2-O 3.4Å; L2176-P2244 HydrophobicContact CD2-CB 4.21Å; L2176-P2244 HydrophobicContact CD2-CG 4.37Å; L2176-F2246 HydrophobicContact CD2-CD2 4.35Å; L2176-F2246 HydrophobicContact CD2-CE2 3.43Å; L2176-F2246 VanDerWaalsContact CD2-CE2 3.43Å; L2176-F2246 HydrophobicContact CD2-CZ 4.2Å |
| 2177 | A | 74.9 | Confident | 74.2 | Confident | 19.6 Ų | 19.6 | 70.7 Ų | 70.7 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F2150 F2151 R2173 Q2174 R2179 W2180 Q2181 | F2150-A2177 HydrophobicContact CD1-CB 4.17Å; F2150-A2177 HydrophobicContact CE1-CB 3.77Å; F2150-A2177 HydrophobicContact CZ-CB 3.9Å; F2151-A2177 HydrophobicContact CD1-CB 3.81Å; F2151-A2177 HydrophobicContact CE1-CB 3.93Å; F2151-A2177 HydrophobicContact CE2-CB 4.13Å; F2151-A2177 HydrophobicContact CG-CB 4.4Å; F2151-A2177 HydrophobicContact CZ-CB 4.04Å; R2173-A2177 VanDerWaalsContact O-CB 3.29Å; R2173-A2177 WeakPolarHBondContact O-CB 3.32Å; R2173-A2177 PolarHBondContact O-N 3.1Å; Q2174-A2177 WeakPolarHBondContact O-CB 3.41Å; Q2174-A2177 PolarHBondContact O-N 3.07Å; A2177-R2179 VanDerWaalsContact C-N 3.34Å; A2177-R2179 PolarHBondContact O-N 2.64Å; A2177-W2180 WeakPolarHBondContact O-CB 3.37Å; A2177-W2180 PolarHBondContact O-N 3.27Å; A2177-Q2181 WeakPolarHBondContact O-CG 3.34Å; A2177-Q2181 PolarHBondContact O-N 3.28Å |
| 2178 | I | 72 | Confident | 74.6 | Confident | 75.8 Ų | 75.8 | 68.3 Ų | 68.3 | 39% | 0.389 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.3 | -68.2 | 165.3 | 0 | 0 | 0 | 110.3 | Y1496 Q2174 K2175 W2180 Q2181 R2182 | Y1496-I2178 HydrophobicContact CD2-CG2 4.07Å; Y1496-I2178 HydrophobicContact CE2-CD1 4.18Å; Y1496-I2178 HydrophobicContact CE2-CG2 4.21Å; Q2174-I2178 WeakPolarHBondContact O-CB 3.42Å; Q2174-I2178 VanDerWaalsContact O-CG1 3.27Å; Q2174-I2178 WeakPolarHBondContact O-CG1 3.35Å; Q2174-I2178 PolarHBondContact O-N 2.95Å; K2175-I2178 PolarHBondContact O-N 3.22Å; I2178-W2180 VanDerWaalsContact C-N 3.34Å; I2178-W2180 PolarHBondContact O-N 3.4Å; I2178-Q2181 PolarHBondContact O-N 3.33Å; I2178-R2182 VanDerWaalsContact CG2-CZ 3.42Å; I2178-R2182 VanDerWaalsContact CG2-NE 3.28Å; I2178-R2182 WeakPolarHBondContact O-CD 3.43Å; I2178-R2182 VanDerWaalsContact O-CG 3.27Å; I2178-R2182 WeakPolarHBondContact O-CG 3.31Å; I2178-R2182 PolarHBondContact O-N 3.1Å; I2178-R2182 VanDerWaalsContact O-N 3.12Å |
| 2179 | R | 69.5 | Low | 75.3 | Confident | 96.6 Ų | 96.6 | 67.2 Ų | 67.2 | 37% | 0.365 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.5 | -74.5 | 175.1 | -177 | -179.2 | -0.1 | 112 | K2175 L2176 A2177 Q2181 R2182 T2183 L2239 F2246 | K2175-R2179 WeakPolarHBondContact O-CB 3.31Å; K2175-R2179 VanDerWaalsContact O-CG 3.28Å; K2175-R2179 WeakPolarHBondContact O-CG 3.34Å; K2175-R2179 PolarHBondContact O-N 3.09Å; L2176-R2179 PolarHBondContact O-N 3.18Å; A2177-R2179 VanDerWaalsContact C-N 3.34Å; A2177-R2179 PolarHBondContact O-N 2.64Å; R2179-Q2181 VanDerWaalsContact C-N 3.33Å; R2179-Q2181 PolarHBondContact O-N 3.18Å; R2179-R2182 WeakPolarHBondContact O-CB 3.32Å; R2179-R2182 PolarHBondContact O-N 3.08Å; R2179-R2182 VanDerWaalsContact O-N 3.13Å; R2179-T2183 PolarHBondContact O-N 3.1Å; R2179-T2183 PolarHBondContact O-OG1 3.03Å; R2179-L2239 HydrophobicContact CB-CD2 4.24Å; R2179-F2246 HydrophobicContact CB-CZ 4.47Å; R2179-F2246 VanDerWaalsContact NH2-CD1 3.32Å |
| 2180 | W | 72.4 | Confident | 75.8 | Confident | 52.2 Ų | 52.2 | 64 Ų | 64 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 176.2 | 179.8 | -104.4 | 0 | 0 | 0 | 111.6 | L2176 A2177 I2178 R2182 T2183 V2184 L2232 R2236 L2239 | L2176-W2180 WeakPolarHBondContact O-CB 3.27Å; L2176-W2180 PolarHBondContact O-N 3.04Å; A2177-W2180 WeakPolarHBondContact O-CB 3.37Å; A2177-W2180 PolarHBondContact O-N 3.27Å; I2178-W2180 VanDerWaalsContact C-N 3.34Å; I2178-W2180 PolarHBondContact O-N 3.4Å; W2180-R2182 VanDerWaalsContact C-N 3.28Å; W2180-R2182 PolarHBondContact O-N 3.09Å; W2180-T2183 PolarHBondContact O-N 3.16Å; W2180-V2184 HydrophobicContact CD2-CG2 4.33Å; W2180-V2184 HydrophobicContact CZ2-CG2 4.22Å; W2180-V2184 VanDerWaalsContact O-CG2 3.29Å; W2180-V2184 WeakPolarHBondContact O-CG2 3.39Å; W2180-V2184 PolarHBondContact O-N 3.04Å; W2180-L2232 HydrophobicContact CH2-CD1 3.7Å; W2180-L2232 HydrophobicContact CH2-CD2 4.07Å; W2180-L2232 HydrophobicContact CH2-CG 3.8Å; W2180-L2232 HydrophobicContact CZ2-CD1 4.08Å; W2180-L2232 HydrophobicContact CZ2-CD2 4.14Å; W2180-L2232 HydrophobicContact CZ2-CG 4.13Å; W2180-R2236 HydrophobicContact CE3-CB 4.4Å; W2180-R2236 HydrophobicContact CE3-CG 4.44Å; W2180-R2236 HydrophobicContact CH2-CB 3.79Å; W2180-R2236 HydrophobicContact CH2-CG 4.04Å; W2180-R2236 HydrophobicContact CZ2-CB 4.5Å; W2180-R2236 VanDerWaalsContact CZ3-CA 3.41Å; W2180-R2236 HydrophobicContact CZ3-CB 3.58Å; W2180-R2236 VanDerWaalsContact CZ3-CB 3.46Å; W2180-R2236 HydrophobicContact CZ3-CG 4.05Å; W2180-L2239 HydrophobicContact CD2-CD1 3.96Å; W2180-L2239 HydrophobicContact CE3-CB 4.43Å; W2180-L2239 HydrophobicContact CE3-CD1 3.33Å; W2180-L2239 VanDerWaalsContact CE3-CD1 3.44Å; W2180-L2239 HydrophobicContact CE3-CG 4.49Å; W2180-L2239 HydrophobicContact CH2-CD1 4.23Å; W2180-L2239 HydrophobicContact CZ3-CD1 3.71Å |
| 2181 | Q | 74.4 | Confident | 76.2 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 177.4 | -73.9 | 178.9 | -12 | 0 | 0 | 112.3 | A2177 I2178 R2179 V2184 R2185 | A2177-Q2181 WeakPolarHBondContact O-CG 3.34Å; A2177-Q2181 PolarHBondContact O-N 3.28Å; I2178-Q2181 PolarHBondContact O-N 3.33Å; R2179-Q2181 VanDerWaalsContact C-N 3.33Å; R2179-Q2181 PolarHBondContact O-N 3.18Å; Q2181-V2184 PolarHBondContact O-N 3Å; Q2181-R2185 WeakPolarHBondContact O-CB 3.5Å; Q2181-R2185 WeakPolarHBondContact O-CG 3.33Å; Q2181-R2185 PolarHBondContact O-N 3.06Å; Q2181-R2185 PolarHBondContact O-NE 3.42Å |
| 2182 | R | 71.1 | Confident | 76.8 | Confident | 90.4 Ų | 90.4 | 59 Ų | 59 | 34% | 0.341 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.4 | -48 | 175.8 | -72.1 | 172 | -177.2 | 179.7 | 1.7 | 112.2 | Y1496 I2178 R2179 W2180 V2184 R2185 M2186 K2337 | Y1496-R2182 VanDerWaalsContact CD2-NH2 3.28Å; Y1496-R2182 VanDerWaalsContact N-NH2 3.14Å; I2178-R2182 VanDerWaalsContact CG2-CZ 3.42Å; I2178-R2182 VanDerWaalsContact CG2-NE 3.28Å; I2178-R2182 WeakPolarHBondContact O-CD 3.43Å; I2178-R2182 VanDerWaalsContact O-CG 3.27Å; I2178-R2182 WeakPolarHBondContact O-CG 3.31Å; I2178-R2182 PolarHBondContact O-N 3.1Å; I2178-R2182 VanDerWaalsContact O-N 3.12Å; R2179-R2182 WeakPolarHBondContact O-CB 3.32Å; R2179-R2182 PolarHBondContact O-N 3.08Å; R2179-R2182 VanDerWaalsContact O-N 3.13Å; W2180-R2182 VanDerWaalsContact C-N 3.28Å; W2180-R2182 PolarHBondContact O-N 3.09Å; R2182-V2184 VanDerWaalsContact C-N 3.29Å; R2182-V2184 PolarHBondContact O-N 3.14Å; R2182-R2185 WeakPolarHBondContact O-CB 3.46Å; R2182-R2185 PolarHBondContact O-N 3.4Å; R2182-R2185 VanDerWaalsContact O-N 3.13Å; R2182-M2186 WeakPolarHBondContact O-CB 3.45Å; R2182-M2186 PolarHBondContact O-N 3.17Å; R2182-K2337 PolarHBondContact NH1-O 3.39Å |
| 2183 | T | 73 | Confident | 77.5 | Confident | 20.4 Ų | 20.4 | 54.9 Ų | 54.9 | 13% | 0.125 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -40.2 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | R2179 W2180 M2186 R2187 L2239 | R2179-T2183 PolarHBondContact O-N 3.1Å; R2179-T2183 PolarHBondContact O-OG1 3.03Å; W2180-T2183 PolarHBondContact O-N 3.16Å; T2183-M2186 PolarHBondContact O-N 3.3Å; T2183-R2187 WeakPolarHBondContact O-CB 3.4Å; T2183-R2187 VanDerWaalsContact O-CG 3.32Å; T2183-R2187 WeakPolarHBondContact O-CG 3.34Å; T2183-R2187 PolarHBondContact O-N 3.29Å; T2183-L2239 HydrophobicContact CG2-CD1 4.45Å |
| 2184 | V | 76 | Confident | 78 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | T2147 W2180 Q2181 R2182 M2186 R2187 R2188 L2232 | T2147-V2184 HydrophobicContact CG2-CG1 4.26Å; W2180-V2184 HydrophobicContact CD2-CG2 4.33Å; W2180-V2184 HydrophobicContact CZ2-CG2 4.22Å; W2180-V2184 VanDerWaalsContact O-CG2 3.29Å; W2180-V2184 WeakPolarHBondContact O-CG2 3.39Å; W2180-V2184 PolarHBondContact O-N 3.04Å; Q2181-V2184 PolarHBondContact O-N 3Å; R2182-V2184 VanDerWaalsContact C-N 3.29Å; R2182-V2184 PolarHBondContact O-N 3.14Å; V2184-M2186 VanDerWaalsContact C-N 3.34Å; V2184-M2186 PolarHBondContact O-N 3.38Å; V2184-R2187 PolarHBondContact O-N 3.26Å; V2184-R2188 VanDerWaalsContact CG1-CZ 3.44Å; V2184-R2188 VanDerWaalsContact CG1-NH2 3.3Å; V2184-R2188 WeakPolarHBondContact O-CD 3.31Å; V2184-R2188 VanDerWaalsContact O-CG 3.27Å; V2184-R2188 WeakPolarHBondContact O-CG 3.32Å; V2184-R2188 PolarHBondContact O-N 3.32Å; V2184-R2188 VanDerWaalsContact O-N 3.1Å; V2184-L2232 HydrophobicContact CG2-CD1 4.46Å; V2184-L2232 HydrophobicContact CG2-CD2 4.24Å |
| 2185 | R | 77.8 | Confident | 78.6 | Confident | 112 Ų | 112 | 49.5 Ų | 49.5 | 42% | 0.423 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 176 | -89.8 | -179.1 | -153 | 162.8 | -1.1 | 112 | L1492 D1495 Q2181 R2182 R2187 R2188 W2189 F2333 | L1492-R2185 HydrophobicContact CD1-CB 4.15Å; L1492-R2185 HydrophobicContact CG-CB 4.29Å; D1495-R2185 IonicContact OD2-NH1 2.62Å; Q2181-R2185 WeakPolarHBondContact O-CB 3.5Å; Q2181-R2185 WeakPolarHBondContact O-CG 3.33Å; Q2181-R2185 PolarHBondContact O-N 3.06Å; Q2181-R2185 PolarHBondContact O-NE 3.42Å; R2182-R2185 WeakPolarHBondContact O-CB 3.46Å; R2182-R2185 PolarHBondContact O-N 3.4Å; R2182-R2185 VanDerWaalsContact O-N 3.13Å; R2185-R2187 PolarHBondContact O-N 3.35Å; R2185-R2188 WeakPolarHBondContact O-CB 3.47Å; R2185-R2188 PolarHBondContact O-N 3.2Å; R2185-W2189 PolarHBondContact O-N 3.15Å; R2185-F2333 HydrophobicContact CG-CD1 3.74Å; R2185-F2333 HydrophobicContact CG-CE1 3.89Å |
| 2186 | M | 80.9 | Confident | 79.3 | Confident | 7.8 Ų | 7.8 | 45.5 Ų | 45.5 | 4% | 0.038 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 178.3 | -170.9 | 159.8 | 85.2 | 0 | 0 | 111.4 | L1492 W1493 R2182 T2183 V2184 R2188 W2189 L2190 E2227 F2333 L2334 | L1492-M2186 HydrophobicContact CD1-CB 4.47Å; L1492-M2186 HydrophobicContact CD2-CB 4.02Å; L1492-M2186 HydrophobicContact CD2-CE 4.47Å; W1493-M2186 HydrophobicContact CZ2-CE 3.67Å; R2182-M2186 WeakPolarHBondContact O-CB 3.45Å; R2182-M2186 PolarHBondContact O-N 3.17Å; T2183-M2186 PolarHBondContact O-N 3.3Å; V2184-M2186 VanDerWaalsContact C-N 3.34Å; V2184-M2186 PolarHBondContact O-N 3.38Å; M2186-R2188 VanDerWaalsContact C-N 3.33Å; M2186-R2188 PolarHBondContact O-N 3.15Å; M2186-W2189 CarbonylContact O-C 3.56Å; M2186-W2189 WeakPolarHBondContact O-CA 3.35Å; M2186-W2189 WeakPolarHBondContact O-CB 3.39Å; M2186-W2189 PolarHBondContact O-N 3.15Å; M2186-W2189 VanDerWaalsContact O-N 3.12Å; M2186-W2189 HydrophobicContact SD-CE3 4.31Å; M2186-L2190 HydrophobicContact CE-CD1 4.22Å; M2186-L2190 HydrophobicContact CG-CD1 4.14Å; M2186-L2190 HydrophobicContact CG-CG 4.37Å; M2186-L2190 VanDerWaalsContact O-CG 3.31Å; M2186-L2190 WeakPolarHBondContact O-CG 3.4Å; M2186-L2190 PolarHBondContact O-N 3.34Å; M2186-L2190 HydrophobicContact SD-CD1 4.29Å; M2186-L2190 HydrophobicContact SD-CD2 4.37Å; M2186-L2190 HydrophobicContact SD-CG 4.03Å; M2186-E2227 HydrophobicContact CE-CB 4.41Å; M2186-E2227 HydrophobicContact CE-CG 4.17Å; M2186-E2227 WeakPolarHBondContact CE-OE1 3.4Å; M2186-E2227 WeakPolarHBondContact CE-OE2 3.38Å; M2186-F2333 WeakPolarHBondContact CB-O 3.38Å; M2186-F2333 VanDerWaalsContact CG-O 3.26Å; M2186-F2333 WeakPolarHBondContact CG-O 3.28Å; M2186-L2334 HydrophobicContact CG-CD2 3.78Å; M2186-L2334 HydrophobicContact SD-CD2 4.07Å |
| 2187 | R | 80.4 | Confident | 80.2 | Confident | 25.4 Ų | 25.4 | 42.8 Ų | 42.8 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 176.2 | -78.8 | 175.1 | 170.5 | -106.9 | 6.3 | 112.9 | T2183 V2184 R2185 W2189 L2190 A2191 E2227 L2228 Q2230 S2235 | T2183-R2187 WeakPolarHBondContact O-CB 3.4Å; T2183-R2187 VanDerWaalsContact O-CG 3.32Å; T2183-R2187 WeakPolarHBondContact O-CG 3.34Å; T2183-R2187 PolarHBondContact O-N 3.29Å; V2184-R2187 PolarHBondContact O-N 3.26Å; R2185-R2187 PolarHBondContact O-N 3.35Å; R2187-W2189 VanDerWaalsContact C-N 3.31Å; R2187-W2189 PolarHBondContact O-N 3.19Å; R2187-L2190 PolarHBondContact O-N 3.15Å; R2187-A2191 WeakPolarHBondContact O-CB 3.32Å; R2187-A2191 PolarHBondContact O-N 3.01Å; R2187-E2227 PolarHBondContact NE-O 2.95Å; R2187-E2227 PolarHBondContact NH1-O 3.37Å; R2187-E2227 PolarHBondContact NH2-O 3.01Å; R2187-E2227 VanDerWaalsContact NH2-O 3.16Å; R2187-L2228 PolarHBondContact NH1-O 3.1Å; R2187-Q2230 VanDerWaalsContact CZ-O 3.28Å; R2187-Q2230 PolarHBondContact NH1-O 3.16Å; R2187-Q2230 VanDerWaalsContact NH2-CB 3.33Å; R2187-Q2230 PolarHBondContact NH2-O 3.18Å; R2187-S2235 PolarHBondContact NH2-OG 2.99Å |
| 2188 | R | 81 | Confident | 80.9 | Confident | 51.8 Ų | 51.8 | 44.9 Ų | 44.9 | 20% | 0.195 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 175.7 | -68.8 | 170.6 | 178.7 | 173.9 | 7 | 111.1 | Q2139 L2140 E2143 V2184 R2185 M2186 A2191 A2192 | Q2139-R2188 WeakPolarHBondContact O-CD 3.24Å; Q2139-R2188 WeakPolarHBondContact O-CG 3.24Å; Q2139-R2188 PolarHBondContact O-NE 3.02Å; L2140-R2188 HydrophobicContact CB-CG 4.47Å; L2140-R2188 HydrophobicContact CD1-CB 4.2Å; L2140-R2188 HydrophobicContact CD1-CG 4.5Å; L2140-R2188 HydrophobicContact CD2-CB 3.65Å; L2140-R2188 HydrophobicContact CD2-CG 4.23Å; L2140-R2188 HydrophobicContact CG-CB 4.25Å; L2140-R2188 VanDerWaalsContact O-CZ 3.3Å; L2140-R2188 PolarHBondContact O-NE 3.31Å; L2140-R2188 PolarHBondContact O-NH1 3.13Å; E2143-R2188 VanDerWaalsContact CB-NH2 3.28Å; E2143-R2188 IonicContact OE2-NH2 3.24Å; E2143-R2188 PolarHBondContact OE2-NH2 3.48Å; V2184-R2188 VanDerWaalsContact CG1-CZ 3.44Å; V2184-R2188 VanDerWaalsContact CG1-NH2 3.3Å; V2184-R2188 WeakPolarHBondContact O-CD 3.31Å; V2184-R2188 VanDerWaalsContact O-CG 3.27Å; V2184-R2188 WeakPolarHBondContact O-CG 3.32Å; V2184-R2188 PolarHBondContact O-N 3.32Å; V2184-R2188 VanDerWaalsContact O-N 3.1Å; R2185-R2188 WeakPolarHBondContact O-CB 3.47Å; R2185-R2188 PolarHBondContact O-N 3.2Å; M2186-R2188 VanDerWaalsContact C-N 3.33Å; M2186-R2188 PolarHBondContact O-N 3.15Å; R2188-A2191 PolarHBondContact O-N 3.24Å; R2188-A2192 VanDerWaalsContact O-CB 3.26Å; R2188-A2192 WeakPolarHBondContact O-CB 3.43Å; R2188-A2192 PolarHBondContact O-N 3.16Å; R2188-A2192 VanDerWaalsContact O-N 3.08Å |
| 2189 | W | 86.5 | Confident | 81.8 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 8% | 0.076 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 175.2 | -171.9 | 97.7 | 0 | 0 | 0 | 112.4 | L1492 L2120 E2121 M2124 R2185 M2186 R2187 A2192 H2193 F2333 L2334 | L1492-W2189 HydrophobicContact CD1-CB 4.49Å; L2120-W2189 HydrophobicContact CB-CH2 4.22Å; E2121-W2189 HydrophobicContact CG-CZ2 4.17Å; M2124-W2189 HydrophobicContact CB-CZ2 4.03Å; M2124-W2189 HydrophobicContact CG-CH2 3.95Å; M2124-W2189 HydrophobicContact CG-CZ2 3.69Å; R2185-W2189 PolarHBondContact O-N 3.15Å; M2186-W2189 CarbonylContact O-C 3.56Å; M2186-W2189 WeakPolarHBondContact O-CA 3.35Å; M2186-W2189 WeakPolarHBondContact O-CB 3.39Å; M2186-W2189 PolarHBondContact O-N 3.15Å; M2186-W2189 VanDerWaalsContact O-N 3.12Å; M2186-W2189 HydrophobicContact SD-CE3 4.31Å; R2187-W2189 VanDerWaalsContact C-N 3.31Å; R2187-W2189 PolarHBondContact O-N 3.19Å; W2189-A2192 VanDerWaalsContact O-CB 3.31Å; W2189-A2192 WeakPolarHBondContact O-CB 3.32Å; W2189-A2192 PolarHBondContact O-N 3.02Å; W2189-H2193 AromaticContact CD1-CE1 3.77Å; W2189-H2193 AromaticContact CD1-ND1 3.94Å; W2189-H2193 AromaticContact CD2-ND1 3.6Å; W2189-H2193 AromaticContact CE2-CE1 3.63Å; W2189-H2193 AromaticContact CE2-ND1 3.48Å; W2189-H2193 AromaticContact CG-ND1 3.91Å; W2189-H2193 AromaticContact CZ2-ND1 3.83Å; W2189-H2193 AromaticContact NE1-CE1 3.46Å; W2189-H2193 PolarHBondContact NE1-CE1 3.08Å; W2189-H2193 AromaticContact NE1-ND1 3.77Å; W2189-H2193 PolarHBondContact O-N 3.19Å; W2189-H2193 VanDerWaalsContact O-N 3.12Å; W2189-H2193 PolarHBondContact O-ND1 3.15Å; W2189-F2333 HydrophobicContact CB-CB 4.07Å; W2189-F2333 HydrophobicContact CB-CD1 3.93Å; W2189-F2333 HydrophobicContact CB-CE1 4.35Å; W2189-F2333 HydrophobicContact CB-CG 4.1Å; W2189-F2333 AromaticContact CD1-CD1 3.67Å; W2189-F2333 AromaticContact CD1-CD2 3.51Å; W2189-F2333 VanDerWaalsContact CD1-CD2 3.48Å; W2189-F2333 AromaticContact CD1-CE1 3.87Å; W2189-F2333 AromaticContact CD1-CE2 3.8Å; W2189-F2333 AromaticContact CD1-CG 3.46Å; W2189-F2333 VanDerWaalsContact CD1-CG 3.45Å; W2189-F2333 AromaticContact CD1-CZ 3.95Å; W2189-F2333 HydrophobicContact CD2-CB 4.36Å; W2189-F2333 HydrophobicContact CG-CB 3.86Å; W2189-F2333 AromaticContact CG-CD1 3.88Å; W2189-F2333 HydrophobicContact CG-CD1 4.08Å; W2189-F2333 HydrophobicContact CG-CD2 4.27Å; W2189-F2333 HydrophobicContact CG-CE1 4.4Å; W2189-F2333 AromaticContact CG-CG 3.82Å; W2189-F2333 HydrophobicContact CG-CG 3.82Å; W2189-F2333 AromaticContact NE1-CD2 3.78Å; W2189-F2333 AromaticContact NE1-CE2 3.97Å; W2189-L2334 HydrophobicContact CD2-CD2 4.43Å; W2189-L2334 HydrophobicContact CE3-CD1 4.37Å; W2189-L2334 HydrophobicContact CE3-CD2 3.8Å; W2189-L2334 HydrophobicContact CE3-CG 4.21Å; W2189-L2334 HydrophobicContact CH2-CD1 4Å; W2189-L2334 HydrophobicContact CH2-CG 4.41Å; W2189-L2334 HydrophobicContact CZ2-CD1 4.49Å; W2189-L2334 HydrophobicContact CZ3-CD1 3.77Å; W2189-L2334 HydrophobicContact CZ3-CD2 3.92Å; W2189-L2334 HydrophobicContact CZ3-CG 4.13Å |
| 2190 | L | 85.6 | Confident | 82.9 | Confident | 0.4 Ų | 0.4 | 39.2 Ų | 39.2 | 0% | 0.002 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 176.3 | -69.5 | 171.9 | 0 | 0 | 0 | 111.7 | M2186 R2187 A2192 H2193 Q2194 L2197 L2224 E2227 L2228 L2334 | M2186-L2190 HydrophobicContact CE-CD1 4.22Å; M2186-L2190 HydrophobicContact CG-CD1 4.14Å; M2186-L2190 HydrophobicContact CG-CG 4.37Å; M2186-L2190 VanDerWaalsContact O-CG 3.31Å; M2186-L2190 WeakPolarHBondContact O-CG 3.4Å; M2186-L2190 PolarHBondContact O-N 3.34Å; M2186-L2190 HydrophobicContact SD-CD1 4.29Å; M2186-L2190 HydrophobicContact SD-CD2 4.37Å; M2186-L2190 HydrophobicContact SD-CG 4.03Å; R2187-L2190 PolarHBondContact O-N 3.15Å; L2190-A2192 VanDerWaalsContact C-N 3.31Å; L2190-A2192 PolarHBondContact O-N 3.24Å; L2190-H2193 CarbonylContact O-C 3.47Å; L2190-H2193 PolarHBondContact O-N 3.16Å; L2190-Q2194 WeakPolarHBondContact O-CA 3.36Å; L2190-Q2194 WeakPolarHBondContact O-CB 3.26Å; L2190-Q2194 PolarHBondContact O-N 3.36Å; L2190-L2197 HydrophobicContact CD2-CD1 3.6Å; L2190-L2224 HydrophobicContact CD1-CD2 4.39Å; L2190-L2224 HydrophobicContact CD2-CB 4.02Å; L2190-L2224 HydrophobicContact CD2-CD1 4.36Å; L2190-L2224 HydrophobicContact CD2-CD2 4.15Å; L2190-L2224 HydrophobicContact CD2-CG 4.42Å; L2190-E2227 HydrophobicContact CD1-CB 4.45Å; L2190-L2228 HydrophobicContact CB-CB 4.26Å; L2190-L2228 HydrophobicContact CB-CD1 3.86Å; L2190-L2228 HydrophobicContact CB-CD2 4.3Å; L2190-L2228 HydrophobicContact CB-CG 4.45Å; L2190-L2228 HydrophobicContact CD1-CB 4.49Å; L2190-L2228 WeakPolarHBondContact O-CD1 3.33Å; L2190-L2334 HydrophobicContact CD2-CD2 4.07Å; L2190-L2334 HydrophobicContact CG-CD2 4.42Å |
| 2191 | A | 84.1 | Confident | 83.7 | Confident | 41.8 Ų | 41.8 | 37.3 Ų | 37.3 | 35% | 0.345 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L2140 R2187 R2188 H2193 Q2194 L2228 | L2140-A2191 HydrophobicContact CD2-CB 4.01Å; R2187-A2191 WeakPolarHBondContact O-CB 3.32Å; R2187-A2191 PolarHBondContact O-N 3.01Å; R2188-A2191 PolarHBondContact O-N 3.24Å; A2191-H2193 VanDerWaalsContact C-N 3.3Å; A2191-H2193 PolarHBondContact O-N 3.26Å; A2191-Q2194 PolarHBondContact O-N 3.11Å; A2191-L2228 VanDerWaalsContact CA-CD1 3.48Å; A2191-L2228 HydrophobicContact CB-CD1 3.95Å; A2191-L2228 VanDerWaalsContact N-CD1 3.31Å |
| 2192 | A | 84.1 | Confident | 84.4 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -36.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y2133 V2135 R2188 W2189 L2190 | Y2133-A2192 PolarHBondContact OH-O 3.13Å; Y2133-A2192 VanDerWaalsContact OH-O 3.11Å; V2135-A2192 HydrophobicContact CB-CB 4.35Å; V2135-A2192 HydrophobicContact CG1-CB 3.18Å; V2135-A2192 VanDerWaalsContact CG1-O 3.31Å; V2135-A2192 WeakPolarHBondContact CG1-O 3.12Å; V2135-A2192 HydrophobicContact CG2-CB 4.25Å; R2188-A2192 VanDerWaalsContact O-CB 3.26Å; R2188-A2192 WeakPolarHBondContact O-CB 3.43Å; R2188-A2192 PolarHBondContact O-N 3.16Å; R2188-A2192 VanDerWaalsContact O-N 3.08Å; W2189-A2192 VanDerWaalsContact O-CB 3.31Å; W2189-A2192 WeakPolarHBondContact O-CB 3.32Å; W2189-A2192 PolarHBondContact O-N 3.02Å; L2190-A2192 VanDerWaalsContact C-N 3.31Å; L2190-A2192 PolarHBondContact O-N 3.24Å |
| 2193 | H | 86.8 | Confident | 85.4 | Confident | 1.8 Ų | 1.8 | 37.1 Ų | 37.1 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 13.8 | -173.2 | -54 | 95.3 | 0 | 0 | 0 | 113.4 | M2124 K2128 Y2133 W2189 L2190 A2191 Q2195 V2196 L2197 | M2124-H2193 HydrophobicContact CG-CB 4.36Å; M2124-H2193 HydrophobicContact SD-CB 4.34Å; K2128-H2193 WeakPolarHBondContact CE-NE2 3.44Å; Y2133-H2193 AromaticContact CE1-CD2 3.7Å; W2189-H2193 AromaticContact CD1-CE1 3.77Å; W2189-H2193 AromaticContact CD1-ND1 3.94Å; W2189-H2193 AromaticContact CD2-ND1 3.6Å; W2189-H2193 AromaticContact CE2-CE1 3.63Å; W2189-H2193 AromaticContact CE2-ND1 3.48Å; W2189-H2193 AromaticContact CG-ND1 3.91Å; W2189-H2193 AromaticContact CZ2-ND1 3.83Å; W2189-H2193 AromaticContact NE1-CE1 3.46Å; W2189-H2193 PolarHBondContact NE1-CE1 3.08Å; W2189-H2193 AromaticContact NE1-ND1 3.77Å; W2189-H2193 PolarHBondContact O-N 3.19Å; W2189-H2193 VanDerWaalsContact O-N 3.12Å; W2189-H2193 PolarHBondContact O-ND1 3.15Å; L2190-H2193 CarbonylContact O-C 3.47Å; L2190-H2193 PolarHBondContact O-N 3.16Å; A2191-H2193 VanDerWaalsContact C-N 3.3Å; A2191-H2193 PolarHBondContact O-N 3.26Å; H2193-Q2195 VanDerWaalsContact C-N 3.27Å; H2193-Q2195 PolarHBondContact O-N 3.14Å; H2193-Q2195 VanDerWaalsContact O-N 3.13Å; H2193-V2196 PolarHBondContact O-N 3.06Å; H2193-V2196 VanDerWaalsContact O-N 3.11Å; H2193-L2197 WeakPolarHBondContact O-CG 3.48Å; H2193-L2197 PolarHBondContact O-N 3.19Å; H2193-L2197 VanDerWaalsContact O-N 3.1Å |
| 2194 | Q | 88.2 | Confident | 86.2 | Confident | 40.8 Ų | 40.8 | 36.2 Ų | 36.2 | 19% | 0.191 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56 | -37.9 | -172.3 | -171 | -176.5 | 21.9 | 0 | 0 | 113.2 | L2190 A2191 V2196 L2197 R2198 L2225 L2228 | L2190-Q2194 WeakPolarHBondContact O-CA 3.36Å; L2190-Q2194 WeakPolarHBondContact O-CB 3.26Å; L2190-Q2194 PolarHBondContact O-N 3.36Å; A2191-Q2194 PolarHBondContact O-N 3.11Å; Q2194-V2196 PolarHBondContact O-N 2.77Å; Q2194-L2197 PolarHBondContact O-N 3.27Å; Q2194-R2198 VanDerWaalsContact CD-CZ 3.44Å; Q2194-R2198 VanDerWaalsContact CD-NH1 3.35Å; Q2194-R2198 VanDerWaalsContact CG-NH1 3.27Å; Q2194-R2198 VanDerWaalsContact NE2-CZ 3.3Å; Q2194-R2198 WeakPolarHBondContact O-CB 3.4Å; Q2194-R2198 VanDerWaalsContact O-CG 3.3Å; Q2194-R2198 WeakPolarHBondContact O-CG 3.38Å; Q2194-R2198 PolarHBondContact O-N 3.12Å; Q2194-L2225 HydrophobicContact CG-CD2 4.03Å; Q2194-L2228 HydrophobicContact CB-CD1 4.17Å; Q2194-L2228 HydrophobicContact CB-CD2 3.8Å; Q2194-L2228 HydrophobicContact CG-CD1 4.13Å; Q2194-L2228 HydrophobicContact CG-CD2 3.9Å; Q2194-L2228 VanDerWaalsContact CG-CD2 3.41Å; Q2194-L2228 VanDerWaalsContact NE2-CD2 3.27Å |
| 2195 | Q | 87.5 | Confident | 86.7 | Confident | 115 Ų | 115 | 38.3 Ų | 38.3 | 54% | 0.537 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.5 | -39.2 | -179 | -158.4 | 46.9 | 13.1 | 0 | 0 | 112.4 | H2193 R2198 T2199 | H2193-Q2195 VanDerWaalsContact C-N 3.27Å; H2193-Q2195 PolarHBondContact O-N 3.14Å; H2193-Q2195 VanDerWaalsContact O-N 3.13Å; Q2195-R2198 PolarHBondContact O-N 2.79Å; Q2195-T2199 PolarHBondContact O-N 3.22Å; Q2195-T2199 VanDerWaalsContact O-N 3.08Å; Q2195-T2199 PolarHBondContact O-OG1 3.24Å |
| 2196 | V | 89.4 | Confident | 87.1 | Confident | 7.6 Ų | 7.6 | 38 Ų | 38 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.8 | -44.1 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 110 | M2091 M2124 L2127 Y2133 H2193 Q2194 R2198 T2199 L2200 | M2091-V2196 HydrophobicContact CE-CG1 4.26Å; M2091-V2196 HydrophobicContact SD-CG1 4.15Å; M2124-V2196 HydrophobicContact CE-CB 4.39Å; M2124-V2196 HydrophobicContact CE-CG1 3.61Å; M2124-V2196 HydrophobicContact SD-CB 4.13Å; M2124-V2196 HydrophobicContact SD-CG1 3.82Å; M2124-V2196 HydrophobicContact SD-CG2 4.31Å; L2127-V2196 HydrophobicContact CD2-CG2 3.98Å; Y2133-V2196 HydrophobicContact CE2-CG2 4.41Å; H2193-V2196 PolarHBondContact O-N 3.06Å; H2193-V2196 VanDerWaalsContact O-N 3.11Å; Q2194-V2196 PolarHBondContact O-N 2.77Å; V2196-R2198 VanDerWaalsContact C-N 3.33Å; V2196-R2198 PolarHBondContact O-N 2.86Å; V2196-T2199 WeakPolarHBondContact O-CB 3.48Å; V2196-T2199 PolarHBondContact O-N 3.18Å; V2196-T2199 VanDerWaalsContact O-N 3.12Å; V2196-L2200 HydrophobicContact CG1-CD1 4.29Å; V2196-L2200 HydrophobicContact CG1-CG 4.47Å; V2196-L2200 WeakPolarHBondContact O-CG 3.38Å; V2196-L2200 PolarHBondContact O-N 2.95Å |
| 2197 | L | 89.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -44.9 | 175.9 | -67.7 | 172.5 | 0 | 0 | 0 | 111.9 | L2120 L2190 H2193 Q2194 T2199 L2200 T2201 L2221 L2224 L2225 | L2120-L2197 HydrophobicContact CD1-CD2 4.06Å; L2120-L2197 HydrophobicContact CD2-CD2 4.17Å; L2190-L2197 HydrophobicContact CD2-CD1 3.6Å; H2193-L2197 WeakPolarHBondContact O-CG 3.48Å; H2193-L2197 PolarHBondContact O-N 3.19Å; H2193-L2197 VanDerWaalsContact O-N 3.1Å; Q2194-L2197 PolarHBondContact O-N 3.27Å; L2197-T2199 VanDerWaalsContact C-N 3.3Å; L2197-T2199 PolarHBondContact O-N 3.08Å; L2197-L2200 PolarHBondContact O-N 3.17Å; L2197-T2201 WeakPolarHBondContact O-CB 3.41Å; L2197-T2201 PolarHBondContact O-N 2.98Å; L2197-T2201 PolarHBondContact O-OG1 3.11Å; L2197-L2221 HydrophobicContact CD2-CD2 3.84Å; L2197-L2224 HydrophobicContact CD2-CD1 4.44Å; L2197-L2225 HydrophobicContact CB-CD2 3.96Å; L2197-L2225 HydrophobicContact CB-CG 4.4Å; L2197-L2225 HydrophobicContact CD1-CD2 4.45Å |
| 2198 | R | 89.6 | Confident | 87.4 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 24% | 0.242 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 174.2 | -77.6 | 176.4 | 172.9 | 143.3 | -4.2 | 112 | Q2194 Q2195 V2196 L2200 T2201 Y2202 L2225 | Q2194-R2198 VanDerWaalsContact CD-CZ 3.44Å; Q2194-R2198 VanDerWaalsContact CD-NH1 3.35Å; Q2194-R2198 VanDerWaalsContact CG-NH1 3.27Å; Q2194-R2198 VanDerWaalsContact NE2-CZ 3.3Å; Q2194-R2198 WeakPolarHBondContact O-CB 3.4Å; Q2194-R2198 VanDerWaalsContact O-CG 3.3Å; Q2194-R2198 WeakPolarHBondContact O-CG 3.38Å; Q2194-R2198 PolarHBondContact O-N 3.12Å; Q2195-R2198 PolarHBondContact O-N 2.79Å; V2196-R2198 VanDerWaalsContact C-N 3.33Å; V2196-R2198 PolarHBondContact O-N 2.86Å; R2198-L2200 VanDerWaalsContact C-N 3.34Å; R2198-L2200 PolarHBondContact O-N 3.22Å; R2198-T2201 WeakPolarHBondContact O-CB 3.4Å; R2198-T2201 PolarHBondContact O-N 3.23Å; R2198-T2201 VanDerWaalsContact O-N 3.16Å; R2198-Y2202 HydrophobicContact CB-CD2 4.42Å; R2198-Y2202 HydrophobicContact CB-CE2 4.14Å; R2198-Y2202 WeakPolarHBondContact O-CD2 3.38Å; R2198-Y2202 WeakPolarHBondContact O-CE2 3.11Å; R2198-Y2202 VanDerWaalsContact O-CG 3.26Å; R2198-Y2202 PolarHBondContact O-N 3.01Å; R2198-L2225 HydrophobicContact CG-CD1 4.14Å; R2198-L2225 HydrophobicContact CG-CD2 4.11Å |
| 2199 | T | 90.1 | Very high | 87.3 | Confident | 50.6 Ų | 50.6 | 40.2 Ų | 40.2 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 179.3 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | M2091 Q2195 V2196 L2197 T2201 Y2202 F2203 | M2091-T2199 HydrophobicContact CE-CG2 3.68Å; Q2195-T2199 PolarHBondContact O-N 3.22Å; Q2195-T2199 VanDerWaalsContact O-N 3.08Å; Q2195-T2199 PolarHBondContact O-OG1 3.24Å; V2196-T2199 WeakPolarHBondContact O-CB 3.48Å; V2196-T2199 PolarHBondContact O-N 3.18Å; V2196-T2199 VanDerWaalsContact O-N 3.12Å; L2197-T2199 VanDerWaalsContact C-N 3.3Å; L2197-T2199 PolarHBondContact O-N 3.08Å; T2199-T2201 VanDerWaalsContact C-N 3.33Å; T2199-T2201 PolarHBondContact O-N 3.38Å; T2199-Y2202 PolarHBondContact O-N 3.37Å; T2199-F2203 PolarHBondContact O-N 3.12Å |
| 2200 | L | 92.3 | Very high | 86.9 | Confident | 0.4 Ų | 0.4 | 43.4 Ų | 43.4 | 0% | 0.002 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 174.9 | -66.3 | 176.2 | 0 | 0 | 0 | 112.1 | M2091 L2094 T2095 L2098 W2119 L2120 V2196 L2197 R2198 Y2202 F2203 C2204 L2221 | M2091-L2200 HydrophobicContact CE-CD2 4Å; M2091-L2200 HydrophobicContact CE-CG 4.37Å; L2094-L2200 HydrophobicContact CB-CD2 4.41Å; T2095-L2200 HydrophobicContact CG2-CD2 4.35Å; L2098-L2200 HydrophobicContact CD2-CB 4.43Å; L2098-L2200 HydrophobicContact CD2-CD2 4.22Å; W2119-L2200 HydrophobicContact CH2-CD1 4.41Å; W2119-L2200 HydrophobicContact CZ3-CD1 4.26Å; L2120-L2200 HydrophobicContact CD2-CD1 3.77Å; V2196-L2200 HydrophobicContact CG1-CD1 4.29Å; V2196-L2200 HydrophobicContact CG1-CG 4.47Å; V2196-L2200 WeakPolarHBondContact O-CG 3.38Å; V2196-L2200 PolarHBondContact O-N 2.95Å; L2197-L2200 PolarHBondContact O-N 3.17Å; R2198-L2200 VanDerWaalsContact C-N 3.34Å; R2198-L2200 PolarHBondContact O-N 3.22Å; L2200-Y2202 VanDerWaalsContact C-N 3.32Å; L2200-Y2202 PolarHBondContact O-N 3.12Å; L2200-F2203 WeakPolarHBondContact O-CB 3.28Å; L2200-F2203 PolarHBondContact O-N 3.12Å; L2200-C2204 PolarHBondContact O-N 3.41Å; L2200-C2204 PolarHBondContact O-SG 3.11Å; L2200-C2204 VanDerWaalsContact O-SG 3.35Å; L2200-L2221 HydrophobicContact CB-CD1 3.71Å |
| 2201 | T | 89.9 | Confident | 86.8 | Confident | 13.5 Ų | 13.5 | 45.5 Ų | 45.5 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | L2197 R2198 T2199 F2203 C2204 S2205 L2221 L2222 L2225 | L2197-T2201 WeakPolarHBondContact O-CB 3.41Å; L2197-T2201 PolarHBondContact O-N 2.98Å; L2197-T2201 PolarHBondContact O-OG1 3.11Å; R2198-T2201 WeakPolarHBondContact O-CB 3.4Å; R2198-T2201 PolarHBondContact O-N 3.23Å; R2198-T2201 VanDerWaalsContact O-N 3.16Å; T2199-T2201 VanDerWaalsContact C-N 3.33Å; T2199-T2201 PolarHBondContact O-N 3.38Å; T2201-F2203 VanDerWaalsContact C-N 3.34Å; T2201-F2203 PolarHBondContact O-N 3.34Å; T2201-C2204 WeakPolarHBondContact O-CB 3.37Å; T2201-C2204 PolarHBondContact O-N 3.13Å; T2201-S2205 PolarHBondContact O-N 3.19Å; T2201-S2205 PolarHBondContact O-OG 3.34Å; T2201-L2221 WeakPolarHBondContact OG1-CB 3.41Å; T2201-L2222 HydrophobicContact CG2-CD2 3.52Å; T2201-L2222 VanDerWaalsContact CG2-CD2 3.5Å; T2201-L2222 HydrophobicContact CG2-CG 3.84Å; T2201-L2225 HydrophobicContact CG2-CD1 4.36Å; T2201-L2225 WeakPolarHBondContact OG1-CD1 3.41Å |
| 2202 | Y | 89.4 | Confident | 86.8 | Confident | 128.5 Ų | 128.5 | 45.1 Ų | 45.1 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 175.8 | -70.1 | -53.2 | 0 | 0 | 0 | 112 | R2198 T2199 L2200 C2204 S2205 L2206 | R2198-Y2202 HydrophobicContact CB-CD2 4.42Å; R2198-Y2202 HydrophobicContact CB-CE2 4.14Å; R2198-Y2202 WeakPolarHBondContact O-CD2 3.38Å; R2198-Y2202 WeakPolarHBondContact O-CE2 3.11Å; R2198-Y2202 VanDerWaalsContact O-CG 3.26Å; R2198-Y2202 PolarHBondContact O-N 3.01Å; T2199-Y2202 PolarHBondContact O-N 3.37Å; L2200-Y2202 VanDerWaalsContact C-N 3.32Å; L2200-Y2202 PolarHBondContact O-N 3.12Å; Y2202-C2204 VanDerWaalsContact C-N 3.34Å; Y2202-C2204 PolarHBondContact O-N 3.09Å; Y2202-S2205 VanDerWaalsContact CA-OG 3.31Å; Y2202-S2205 WeakPolarHBondContact CA-OG 3.36Å; Y2202-S2205 PolarHBondContact O-N 3.18Å; Y2202-S2205 PolarHBondContact O-OG 3.08Å; Y2202-L2206 WeakPolarHBondContact O-CB 3.37Å; Y2202-L2206 VanDerWaalsContact O-CG 3.27Å; Y2202-L2206 WeakPolarHBondContact O-CG 3.36Å; Y2202-L2206 PolarHBondContact O-N 3.26Å; Y2202-L2206 VanDerWaalsContact O-N 3.11Å |
| 2203 | F | 90.7 | Very high | 86.8 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 17% | 0.167 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.4 | -47.8 | 173 | 173.7 | -99.6 | 0 | 0 | 0 | 111.6 | T2095 L2098 T2199 L2200 T2201 S2205 L2206 H2207 L2214 | T2095-F2203 HydrophobicContact CG2-CB 4.15Å; T2095-F2203 HydrophobicContact CG2-CD1 4.04Å; T2095-F2203 HydrophobicContact CG2-CD2 3.68Å; T2095-F2203 HydrophobicContact CG2-CE1 4.37Å; T2095-F2203 HydrophobicContact CG2-CE2 4.05Å; T2095-F2203 HydrophobicContact CG2-CG 3.67Å; T2095-F2203 HydrophobicContact CG2-CZ 4.38Å; T2095-F2203 WeakPolarHBondContact O-CE1 3.33Å; T2095-F2203 WeakPolarHBondContact O-CZ 3.37Å; L2098-F2203 HydrophobicContact CD2-CD1 4.24Å; L2098-F2203 HydrophobicContact CD2-CE1 4.43Å; T2199-F2203 PolarHBondContact O-N 3.12Å; L2200-F2203 WeakPolarHBondContact O-CB 3.28Å; L2200-F2203 PolarHBondContact O-N 3.12Å; T2201-F2203 VanDerWaalsContact C-N 3.34Å; T2201-F2203 PolarHBondContact O-N 3.34Å; F2203-S2205 VanDerWaalsContact C-N 3.33Å; F2203-S2205 PolarHBondContact O-N 3.37Å; F2203-L2206 PolarHBondContact O-N 3.36Å; F2203-H2207 AromaticContact CD2-CD2 3.46Å; F2203-H2207 VanDerWaalsContact CD2-CD2 3.45Å; F2203-H2207 WeakPolarHBondContact CD2-CD2 3.41Å; F2203-H2207 AromaticContact CD2-NE2 3.92Å; F2203-H2207 AromaticContact CE2-CD2 3.29Å; F2203-H2207 WeakPolarHBondContact CE2-CD2 3.44Å; F2203-H2207 AromaticContact CE2-NE2 3.69Å; F2203-H2207 AromaticContact CZ-CD2 3.97Å; F2203-H2207 PolarHBondContact O-CD2 3.19Å; F2203-H2207 PolarHBondContact O-N 3.29Å; F2203-H2207 VanDerWaalsContact O-N 3.11Å; F2203-L2214 HydrophobicContact CD1-CD1 4.33Å; F2203-L2214 HydrophobicContact CD1-CD2 4.46Å; F2203-L2214 HydrophobicContact CE1-CD1 4.14Å; F2203-L2214 HydrophobicContact CE1-CD2 4.02Å; F2203-L2214 HydrophobicContact CZ-CD1 4.41Å |
| 2204 | C | 89.9 | Confident | 86.9 | Confident | 1.5 Ų | 1.5 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 175.9 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | L2200 T2201 Y2202 L2206 H2207 S2208 L2214 | L2200-C2204 PolarHBondContact O-N 3.41Å; L2200-C2204 PolarHBondContact O-SG 3.11Å; L2200-C2204 VanDerWaalsContact O-SG 3.35Å; T2201-C2204 WeakPolarHBondContact O-CB 3.37Å; T2201-C2204 PolarHBondContact O-N 3.13Å; Y2202-C2204 VanDerWaalsContact C-N 3.34Å; Y2202-C2204 PolarHBondContact O-N 3.09Å; C2204-L2206 VanDerWaalsContact C-N 3.33Å; C2204-L2206 PolarHBondContact O-N 3.24Å; C2204-H2207 PolarHBondContact O-N 3.26Å; C2204-S2208 WeakPolarHBondContact O-CA 3.35Å; C2204-S2208 WeakPolarHBondContact O-CB 3.34Å; C2204-S2208 PolarHBondContact O-N 3.31Å; C2204-S2208 PolarHBondContact O-OG 2.9Å; C2204-L2214 HydrophobicContact CB-CG 4.23Å; C2204-L2214 VanDerWaalsContact CB-O 3.32Å; C2204-L2214 WeakPolarHBondContact CB-O 3.42Å |
| 2205 | S | 86.7 | Confident | 86.9 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -35.9 | 179.6 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | T2201 Y2202 F2203 S2208 | T2201-S2205 PolarHBondContact O-N 3.19Å; T2201-S2205 PolarHBondContact O-OG 3.34Å; Y2202-S2205 VanDerWaalsContact CA-OG 3.31Å; Y2202-S2205 WeakPolarHBondContact CA-OG 3.36Å; Y2202-S2205 PolarHBondContact O-N 3.18Å; Y2202-S2205 PolarHBondContact O-OG 3.08Å; F2203-S2205 VanDerWaalsContact C-N 3.33Å; F2203-S2205 PolarHBondContact O-N 3.37Å; S2205-S2208 PolarHBondContact O-OG 3.36Å; S2205-S2208 VanDerWaalsContact O-OG 3.06Å |
| 2206 | L | 86.4 | Confident | 86.9 | Confident | 106 Ų | 106 | 38 Ų | 38 | 56% | 0.555 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -72.7 | -33.9 | 179.7 | -119.8 | 121.9 | 0 | 0 | 0 | 112.6 | Y2202 F2203 C2204 | Y2202-L2206 WeakPolarHBondContact O-CB 3.37Å; Y2202-L2206 VanDerWaalsContact O-CG 3.27Å; Y2202-L2206 WeakPolarHBondContact O-CG 3.36Å; Y2202-L2206 PolarHBondContact O-N 3.26Å; Y2202-L2206 VanDerWaalsContact O-N 3.11Å; F2203-L2206 PolarHBondContact O-N 3.36Å; C2204-L2206 VanDerWaalsContact C-N 3.33Å; C2204-L2206 PolarHBondContact O-N 3.24Å |
| 2207 | H | 86.3 | Confident | 86.9 | Confident | 63.75 Ų | 63.75 | 37.6 Ų | 37.6 | 30% | 0.295 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -108.5 | 0.6 | -174 | -68.5 | -74.4 | 0 | 0 | 0 | 114.5 | F2203 C2204 S2209 S2210 N2211 L2214 | F2203-H2207 AromaticContact CD2-CD2 3.46Å; F2203-H2207 VanDerWaalsContact CD2-CD2 3.45Å; F2203-H2207 WeakPolarHBondContact CD2-CD2 3.41Å; F2203-H2207 AromaticContact CD2-NE2 3.92Å; F2203-H2207 AromaticContact CE2-CD2 3.29Å; F2203-H2207 WeakPolarHBondContact CE2-CD2 3.44Å; F2203-H2207 AromaticContact CE2-NE2 3.69Å; F2203-H2207 AromaticContact CZ-CD2 3.97Å; F2203-H2207 PolarHBondContact O-CD2 3.19Å; F2203-H2207 PolarHBondContact O-N 3.29Å; F2203-H2207 VanDerWaalsContact O-N 3.11Å; C2204-H2207 PolarHBondContact O-N 3.26Å; H2207-S2209 VanDerWaalsContact C-N 3.26Å; H2207-S2209 PolarHBondContact O-N 3.11Å; H2207-S2209 VanDerWaalsContact O-N 3.15Å; H2207-S2210 PolarHBondContact O-N 2.92Å; H2207-S2210 VanDerWaalsContact O-N 3.12Å; H2207-S2210 PolarHBondContact O-OG 3.13Å; H2207-N2211 PolarHBondContact O-N 3.03Å; H2207-L2214 HydrophobicContact CB-CD1 3.75Å; H2207-L2214 HydrophobicContact CB-CD2 3.39Å |
| 2208 | S | 81.3 | Confident | 87 | Confident | 22.25 Ų | 22.25 | 37.9 Ų | 37.9 | 16% | 0.156 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.6 | -177 | 54.7 | 0 | 0 | 0 | 0 | 114 | C2204 S2205 S2210 N2211 C2306 | C2204-S2208 WeakPolarHBondContact O-CA 3.35Å; C2204-S2208 WeakPolarHBondContact O-CB 3.34Å; C2204-S2208 PolarHBondContact O-N 3.31Å; C2204-S2208 PolarHBondContact O-OG 2.9Å; S2205-S2208 PolarHBondContact O-OG 3.36Å; S2205-S2208 VanDerWaalsContact O-OG 3.06Å; S2208-S2210 VanDerWaalsContact C-N 3.32Å; S2208-S2210 PolarHBondContact O-N 3.08Å; S2208-S2210 VanDerWaalsContact O-N 3.13Å; S2208-N2211 CarbonylContact O-C 3.5Å; S2208-N2211 PolarHBondContact O-N 3.14Å; S2208-N2211 VanDerWaalsContact O-O 3.1Å; S2208-C2306 PolarHBondContact O-SG 3.08Å |
| 2209 | S | 78.2 | Confident | 86.9 | Confident | 46 Ų | 46 | 34.9 Ų | 34.9 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24 | -179.9 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | H2207 T2302 | H2207-S2209 VanDerWaalsContact C-N 3.26Å; H2207-S2209 PolarHBondContact O-N 3.11Å; H2207-S2209 VanDerWaalsContact O-N 3.15Å; S2209-T2302 WeakPolarHBondContact O-CG2 3Å; S2209-T2302 PolarHBondContact O-OG1 3.02Å; S2209-T2302 VanDerWaalsContact O-OG1 3.12Å |
| 2210 | S | 78.9 | Confident | 86.8 | Confident | 86.75 Ų | 86.75 | 32.6 Ų | 32.6 | 61% | 0.607 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -25.6 | -179.4 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | H2207 S2208 | H2207-S2210 PolarHBondContact O-N 2.92Å; H2207-S2210 VanDerWaalsContact O-N 3.12Å; H2207-S2210 PolarHBondContact O-OG 3.13Å; S2208-S2210 VanDerWaalsContact C-N 3.32Å; S2208-S2210 PolarHBondContact O-N 3.08Å; S2208-S2210 VanDerWaalsContact O-N 3.13Å |
| 2211 | N | 82.6 | Confident | 86.7 | Confident | 45.25 Ų | 45.25 | 32.6 Ų | 32.6 | 24% | 0.242 | 19% | 0.185 | C | C | . | . | trans | -140.4 | 110.7 | -174.7 | -174.6 | -20.9 | 0 | 0 | 0 | 110.4 | E2106 H2207 S2208 G2213 L2214 A2215 | E2106-N2211 PolarHBondContact OE1-OD1 2.91Å; H2207-N2211 PolarHBondContact O-N 3.03Å; S2208-N2211 CarbonylContact O-C 3.5Å; S2208-N2211 PolarHBondContact O-N 3.14Å; S2208-N2211 VanDerWaalsContact O-O 3.1Å; N2211-G2213 VanDerWaalsContact C-N 3.27Å; N2211-G2213 PolarHBondContact O-N 3.13Å; N2211-G2213 VanDerWaalsContact O-N 3.16Å; N2211-G2213 WeakPolarHBondContact OD1-CA 3.44Å; N2211-G2213 PolarHBondContact OD1-N 3.27Å; N2211-L2214 HydrophobicContact CB-CB 4.28Å; N2211-L2214 HydrophobicContact CB-CD1 3.99Å; N2211-L2214 HydrophobicContact CB-CG 4.04Å; N2211-L2214 WeakPolarHBondContact O-CB 3.42Å; N2211-L2214 PolarHBondContact O-N 2.99Å; N2211-L2214 PolarHBondContact OD1-N 3.09Å; N2211-A2215 PolarHBondContact O-N 3.28Å | ||
| 2212 | V | 84.2 | Confident | 86.6 | Confident | 32.25 Ų | 32.25 | 32.7 Ų | 32.7 | 20% | 0.195 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57 | -37 | 179.9 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | L2214 A2215 S2216 T2302 Q2305 A2309 | V2212-L2214 VanDerWaalsContact C-N 3.29Å; V2212-L2214 PolarHBondContact O-N 3.01Å; V2212-A2215 VanDerWaalsContact O-CB 3.25Å; V2212-A2215 WeakPolarHBondContact O-CB 3.38Å; V2212-A2215 PolarHBondContact O-N 3Å; V2212-A2215 VanDerWaalsContact O-N 3.12Å; V2212-S2216 PolarHBondContact O-N 3.25Å; V2212-S2216 VanDerWaalsContact O-N 3.11Å; V2212-T2302 HydrophobicContact CG2-CG2 4.32Å; V2212-Q2305 HydrophobicContact CB-CB 4.46Å; V2212-Q2305 HydrophobicContact CG1-CB 4.07Å; V2212-Q2305 HydrophobicContact CG2-CB 3.53Å; V2212-Q2305 VanDerWaalsContact CG2-CB 3.48Å; V2212-Q2305 HydrophobicContact CG2-CG 4.45Å; V2212-Q2305 VanDerWaalsContact CG2-OE1 3.25Å; V2212-A2309 HydrophobicContact CG1-CB 3.75Å |
| 2213 | G | 85.4 | Confident | 86.4 | Confident | 8.5 Ų | 8.5 | 27.2 Ų | 27.2 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V2102 N2211 A2215 S2216 A2217 | V2102-G2213 VanDerWaalsContact CG1-O 3.26Å; V2102-G2213 WeakPolarHBondContact CG1-O 3.37Å; N2211-G2213 VanDerWaalsContact C-N 3.27Å; N2211-G2213 PolarHBondContact O-N 3.13Å; N2211-G2213 VanDerWaalsContact O-N 3.16Å; N2211-G2213 WeakPolarHBondContact OD1-CA 3.44Å; N2211-G2213 PolarHBondContact OD1-N 3.27Å; G2213-A2215 PolarHBondContact O-N 3.08Å; G2213-S2216 WeakPolarHBondContact CA-OG 3.43Å; G2213-S2216 WeakPolarHBondContact O-CB 3.22Å; G2213-S2216 PolarHBondContact O-N 3.13Å; G2213-S2216 VanDerWaalsContact O-N 3.13Å; G2213-S2216 PolarHBondContact O-OG 3.19Å; G2213-A2217 WeakPolarHBondContact O-CB 2.83Å; G2213-A2217 PolarHBondContact O-N 3.3Å |
| 2214 | L | 88.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.7 | -31.8 | 178.9 | -93.8 | 157.8 | 0 | 0 | 0 | 110.7 | L2098 A2099 V2102 F2203 C2204 H2207 N2211 V2212 S2216 A2217 G2218 | L2098-L2214 HydrophobicContact CD2-CD1 4.06Å; L2098-L2214 HydrophobicContact CG-CD1 4.11Å; L2098-L2214 HydrophobicContact CG-CD2 4.28Å; A2099-L2214 HydrophobicContact CB-CD2 4.42Å; V2102-L2214 VanDerWaalsContact CG1-N 3.27Å; V2102-L2214 HydrophobicContact CG2-CD2 4.47Å; F2203-L2214 HydrophobicContact CD1-CD1 4.33Å; F2203-L2214 HydrophobicContact CD1-CD2 4.46Å; F2203-L2214 HydrophobicContact CE1-CD1 4.14Å; F2203-L2214 HydrophobicContact CE1-CD2 4.02Å; F2203-L2214 HydrophobicContact CZ-CD1 4.41Å; C2204-L2214 HydrophobicContact CB-CG 4.23Å; C2204-L2214 VanDerWaalsContact CB-O 3.32Å; C2204-L2214 WeakPolarHBondContact CB-O 3.42Å; H2207-L2214 HydrophobicContact CB-CD1 3.75Å; H2207-L2214 HydrophobicContact CB-CD2 3.39Å; N2211-L2214 HydrophobicContact CB-CB 4.28Å; N2211-L2214 HydrophobicContact CB-CD1 3.99Å; N2211-L2214 HydrophobicContact CB-CG 4.04Å; N2211-L2214 WeakPolarHBondContact O-CB 3.42Å; N2211-L2214 PolarHBondContact O-N 2.99Å; N2211-L2214 PolarHBondContact OD1-N 3.09Å; V2212-L2214 VanDerWaalsContact C-N 3.29Å; V2212-L2214 PolarHBondContact O-N 3.01Å; L2214-S2216 VanDerWaalsContact C-N 3.35Å; L2214-A2217 PolarHBondContact O-N 3.42Å; L2214-G2218 PolarHBondContact O-N 3.15Å |
| 2215 | A | 87.8 | Confident | 85.9 | Confident | 6.5 Ų | 6.5 | 25.8 Ų | 25.8 | 5% | 0.054 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N2211 V2212 G2213 G2218 M2219 C2306 C2310 | N2211-A2215 PolarHBondContact O-N 3.28Å; V2212-A2215 VanDerWaalsContact O-CB 3.25Å; V2212-A2215 WeakPolarHBondContact O-CB 3.38Å; V2212-A2215 PolarHBondContact O-N 3Å; V2212-A2215 VanDerWaalsContact O-N 3.12Å; G2213-A2215 PolarHBondContact O-N 3.08Å; A2215-G2218 PolarHBondContact O-N 2.9Å; A2215-M2219 PolarHBondContact O-N 3.24Å; A2215-C2306 HydrophobicContact CB-CB 3.6Å; A2215-C2310 VanDerWaalsContact C-SG 3.56Å; A2215-C2310 PolarHBondContact O-SG 3.17Å; A2215-C2310 VanDerWaalsContact O-SG 3.35Å |
| 2216 | S | 87.9 | Confident | 85.7 | Confident | 6.5 Ų | 6.5 | 23 Ų | 23 | 5% | 0.045 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 177 | 81.3 | 0 | 0 | 0 | 0 | 112 | L2112 V2212 G2213 L2214 G2218 M2219 E2220 | L2112-S2216 VanDerWaalsContact CD2-OG 3.26Å; L2112-S2216 WeakPolarHBondContact CD2-OG 3.28Å; V2212-S2216 PolarHBondContact O-N 3.25Å; V2212-S2216 VanDerWaalsContact O-N 3.11Å; G2213-S2216 WeakPolarHBondContact CA-OG 3.43Å; G2213-S2216 WeakPolarHBondContact O-CB 3.22Å; G2213-S2216 PolarHBondContact O-N 3.13Å; G2213-S2216 VanDerWaalsContact O-N 3.13Å; G2213-S2216 PolarHBondContact O-OG 3.19Å; L2214-S2216 VanDerWaalsContact C-N 3.35Å; S2216-G2218 VanDerWaalsContact C-N 3.33Å; S2216-G2218 PolarHBondContact O-N 3.3Å; S2216-M2219 WeakPolarHBondContact O-CB 3.36Å; S2216-M2219 PolarHBondContact O-N 3.24Å; S2216-M2219 VanDerWaalsContact O-N 3.15Å; S2216-E2220 WeakPolarHBondContact O-CG 3.31Å; S2216-E2220 PolarHBondContact O-N 3.21Å; S2216-E2220 VanDerWaalsContact O-N 3.1Å |
| 2217 | A | 89.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2098 V2102 L2116 G2213 L2214 M2219 E2220 L2221 | L2098-A2217 HydrophobicContact CD1-CB 4.38Å; V2102-A2217 HydrophobicContact CG2-CB 3.56Å; V2102-A2217 VanDerWaalsContact CG2-CB 3.48Å; L2116-A2217 HydrophobicContact CD1-CB 3.83Å; L2116-A2217 HydrophobicContact CD2-CB 4.32Å; G2213-A2217 WeakPolarHBondContact O-CB 2.83Å; G2213-A2217 PolarHBondContact O-N 3.3Å; L2214-A2217 PolarHBondContact O-N 3.42Å; A2217-M2219 VanDerWaalsContact C-N 3.31Å; A2217-M2219 PolarHBondContact O-N 3.3Å; A2217-E2220 PolarHBondContact O-N 3.32Å; A2217-L2221 WeakPolarHBondContact O-CG 3.37Å; A2217-L2221 PolarHBondContact O-N 3.11Å |
| 2218 | G | 90.1 | Very high | 84.9 | Confident | 6.75 Ų | 6.75 | 18.1 Ų | 18.1 | 7% | 0.07 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2214 A2215 S2216 E2220 L2221 L2222 | L2214-G2218 PolarHBondContact O-N 3.15Å; A2215-G2218 PolarHBondContact O-N 2.9Å; S2216-G2218 VanDerWaalsContact C-N 3.33Å; S2216-G2218 PolarHBondContact O-N 3.3Å; G2218-E2220 VanDerWaalsContact C-N 3.35Å; G2218-E2220 PolarHBondContact O-N 3.21Å; G2218-L2221 PolarHBondContact O-N 2.93Å; G2218-L2222 VanDerWaalsContact O-CG 3.29Å; G2218-L2222 WeakPolarHBondContact O-CG 3.34Å; G2218-L2222 PolarHBondContact O-N 3.01Å |
| 2219 | M | 88.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.5 | -169.4 | 62 | 176 | 0 | 0 | 112.3 | A2215 S2216 A2217 L2222 L2223 P2266 V2270 C2310 S2314 | A2215-M2219 PolarHBondContact O-N 3.24Å; S2216-M2219 WeakPolarHBondContact O-CB 3.36Å; S2216-M2219 PolarHBondContact O-N 3.24Å; S2216-M2219 VanDerWaalsContact O-N 3.15Å; A2217-M2219 VanDerWaalsContact C-N 3.31Å; A2217-M2219 PolarHBondContact O-N 3.3Å; M2219-L2222 WeakPolarHBondContact O-CB 3.42Å; M2219-L2222 PolarHBondContact O-N 3.32Å; M2219-L2223 WeakPolarHBondContact O-CG 3.38Å; M2219-L2223 PolarHBondContact O-N 3.11Å; M2219-P2266 HydrophobicContact CE-CB 3.37Å; M2219-P2266 VanDerWaalsContact CE-CB 3.43Å; M2219-P2266 HydrophobicContact SD-CB 3.76Å; M2219-P2266 VanDerWaalsContact SD-CB 3.59Å; M2219-V2270 HydrophobicContact CE-CG2 3.76Å; M2219-V2270 HydrophobicContact SD-CG2 4.42Å; M2219-C2310 HydrophobicContact CB-CB 4.23Å; M2219-C2310 HydrophobicContact CG-CB 4.18Å; M2219-S2314 WeakPolarHBondContact CE-OG 3.38Å; M2219-S2314 WeakPolarHBondContact CG-OG 3.41Å |
| 2220 | E | 88.1 | Confident | 84.2 | Confident | 2.75 Ų | 2.75 | 18 Ų | 18 | 1% | 0.013 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.5 | -62.8 | -52.4 | 154.7 | 0 | 0 | 112.7 | R2113 L2116 S2216 A2217 G2218 L2222 L2223 L2224 | R2113-E2220 HydrophobicContact CB-CG 4.43Å; R2113-E2220 IonicContact CZ-OE1 3.32Å; R2113-E2220 IonicContact CZ-OE2 3.2Å; R2113-E2220 VanDerWaalsContact CZ-OE2 3.27Å; R2113-E2220 VanDerWaalsContact NE-CD 3.33Å; R2113-E2220 IonicContact NE-OE1 3.06Å; R2113-E2220 PolarHBondContact NE-OE1 3.25Å; R2113-E2220 IonicContact NE-OE2 3.48Å; R2113-E2220 PolarHBondContact NE-OE2 3.14Å; R2113-E2220 VanDerWaalsContact NH2-CD 3.29Å; R2113-E2220 IonicContact NH2-OE1 2.91Å; R2113-E2220 PolarHBondContact NH2-OE1 3.14Å; R2113-E2220 IonicContact NH2-OE2 3.39Å; R2113-E2220 PolarHBondContact NH2-OE2 3.16Å; R2113-E2220 VanDerWaalsContact NH2-OE2 3.14Å; L2116-E2220 HydrophobicContact CD1-CB 4.43Å; L2116-E2220 HydrophobicContact CD2-CB 3.85Å; L2116-E2220 HydrophobicContact CD2-CG 4.29Å; S2216-E2220 WeakPolarHBondContact O-CG 3.31Å; S2216-E2220 PolarHBondContact O-N 3.21Å; S2216-E2220 VanDerWaalsContact O-N 3.1Å; A2217-E2220 PolarHBondContact O-N 3.32Å; G2218-E2220 VanDerWaalsContact C-N 3.35Å; G2218-E2220 PolarHBondContact O-N 3.21Å; E2220-L2222 VanDerWaalsContact C-N 3.32Å; E2220-L2222 PolarHBondContact O-N 3.02Å; E2220-L2223 WeakPolarHBondContact O-CB 3.48Å; E2220-L2223 PolarHBondContact O-N 3.05Å; E2220-L2224 WeakPolarHBondContact O-CG 3.5Å; E2220-L2224 PolarHBondContact O-N 3.16Å; E2220-L2224 VanDerWaalsContact O-N 3.08Å |
| 2221 | L | 90 | Very high | 83.4 | Confident | 0.5 Ų | 0.5 | 18.4 Ų | 18.4 | 0% | 0.003 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 174.8 | -66.3 | 172.2 | 0 | 0 | 0 | 111.8 | L2116 L2120 L2197 L2200 T2201 A2217 G2218 L2223 L2224 L2225 | L2116-L2221 HydrophobicContact CD2-CD2 4.02Å; L2120-L2221 HydrophobicContact CD1-CD2 3.91Å; L2120-L2221 HydrophobicContact CD2-CD2 4.44Å; L2197-L2221 HydrophobicContact CD2-CD2 3.84Å; L2200-L2221 HydrophobicContact CB-CD1 3.71Å; T2201-L2221 WeakPolarHBondContact OG1-CB 3.41Å; A2217-L2221 WeakPolarHBondContact O-CG 3.37Å; A2217-L2221 PolarHBondContact O-N 3.11Å; G2218-L2221 PolarHBondContact O-N 2.93Å; L2221-L2223 VanDerWaalsContact C-N 3.35Å; L2221-L2224 PolarHBondContact O-N 3.28Å; L2221-L2225 WeakPolarHBondContact O-CB 3.45Å; L2221-L2225 WeakPolarHBondContact O-CG 3.36Å; L2221-L2225 PolarHBondContact O-N 3.12Å |
| 2222 | L | 88 | Confident | 82.3 | Confident | 14 Ų | 14 | 20.1 Ų | 20.1 | 7% | 0.073 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 173.9 | -72.7 | 174.3 | 0 | 0 | 0 | 111.9 | T2201 G2218 M2219 E2220 L2225 Q2226 A2264 P2266 N2269 | T2201-L2222 HydrophobicContact CG2-CD2 3.52Å; T2201-L2222 VanDerWaalsContact CG2-CD2 3.5Å; T2201-L2222 HydrophobicContact CG2-CG 3.84Å; G2218-L2222 VanDerWaalsContact O-CG 3.29Å; G2218-L2222 WeakPolarHBondContact O-CG 3.34Å; G2218-L2222 PolarHBondContact O-N 3.01Å; M2219-L2222 WeakPolarHBondContact O-CB 3.42Å; M2219-L2222 PolarHBondContact O-N 3.32Å; E2220-L2222 VanDerWaalsContact C-N 3.32Å; E2220-L2222 PolarHBondContact O-N 3.02Å; L2222-L2225 PolarHBondContact O-N 3.23Å; L2222-Q2226 VanDerWaalsContact O-CB 3.32Å; L2222-Q2226 WeakPolarHBondContact O-CB 3.36Å; L2222-Q2226 PolarHBondContact O-N 3.25Å; L2222-A2264 HydrophobicContact CD2-CB 3.74Å; L2222-A2264 VanDerWaalsContact CD2-O 3.31Å; L2222-A2264 WeakPolarHBondContact CD2-O 3.41Å; L2222-P2266 HydrophobicContact CB-CB 4.28Å; L2222-P2266 HydrophobicContact CB-CG 4.05Å; L2222-N2269 HydrophobicContact CD1-CB 4.11Å; L2222-N2269 WeakPolarHBondContact CD1-ND2 3.1Å |
| 2223 | L | 85.3 | Confident | 81 | Confident | 14.5 Ų | 14.5 | 22.5 Ų | 22.5 | 8% | 0.076 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.5 | -72.7 | 168 | 0 | 0 | 0 | 111.3 | M2219 E2220 L2221 Q2226 E2227 P2250 P2266 | M2219-L2223 WeakPolarHBondContact O-CG 3.38Å; M2219-L2223 PolarHBondContact O-N 3.11Å; E2220-L2223 WeakPolarHBondContact O-CB 3.48Å; E2220-L2223 PolarHBondContact O-N 3.05Å; L2221-L2223 VanDerWaalsContact C-N 3.35Å; L2223-Q2226 WeakPolarHBondContact O-CB 3.42Å; L2223-Q2226 PolarHBondContact O-N 3.28Å; L2223-E2227 WeakPolarHBondContact O-CG 3.35Å; L2223-E2227 PolarHBondContact O-N 3.18Å; L2223-P2250 HydrophobicContact CD1-CB 3.75Å; L2223-P2250 HydrophobicContact CD1-CG 4.45Å; L2223-P2250 HydrophobicContact CD2-CB 3.79Å; L2223-P2250 HydrophobicContact CG-CB 4.41Å; L2223-P2266 HydrophobicContact CD2-CB 3.99Å; L2223-P2266 HydrophobicContact CD2-CG 3.86Å; L2223-P2266 HydrophobicContact CG-CB 4.31Å; L2223-P2266 HydrophobicContact CG-CG 4.18Å |
| 2224 | L | 85.8 | Confident | 79.6 | Confident | 0.5 Ų | 0.5 | 23.7 Ų | 23.7 | 0% | 0.003 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 174 | -72.1 | -180 | 0 | 0 | 0 | 112.5 | Y2117 L2120 L2190 L2197 E2220 L2221 Q2226 E2227 L2228 L2334 | Y2117-L2224 HydrophobicContact CD1-CD1 4.1Å; Y2117-L2224 HydrophobicContact CD1-CD2 4.48Å; Y2117-L2224 HydrophobicContact CE1-CD1 3.64Å; Y2117-L2224 HydrophobicContact CE1-CD2 3.85Å; Y2117-L2224 HydrophobicContact CE1-CG 3.82Å; Y2117-L2224 HydrophobicContact CE2-CD2 4.31Å; Y2117-L2224 WeakPolarHBondContact OH-CD2 3.22Å; L2120-L2224 HydrophobicContact CD1-CD1 3.99Å; L2190-L2224 HydrophobicContact CD1-CD2 4.39Å; L2190-L2224 HydrophobicContact CD2-CB 4.02Å; L2190-L2224 HydrophobicContact CD2-CD1 4.36Å; L2190-L2224 HydrophobicContact CD2-CD2 4.15Å; L2190-L2224 HydrophobicContact CD2-CG 4.42Å; L2197-L2224 HydrophobicContact CD2-CD1 4.44Å; E2220-L2224 WeakPolarHBondContact O-CG 3.5Å; E2220-L2224 PolarHBondContact O-N 3.16Å; E2220-L2224 VanDerWaalsContact O-N 3.08Å; L2221-L2224 PolarHBondContact O-N 3.28Å; L2224-Q2226 VanDerWaalsContact C-N 3.3Å; L2224-Q2226 PolarHBondContact O-N 3.4Å; L2224-E2227 PolarHBondContact O-N 3.23Å; L2224-L2228 PolarHBondContact O-N 3.01Å; L2224-L2228 VanDerWaalsContact O-N 3.14Å; L2224-L2334 HydrophobicContact CD1-CD1 4.49Å; L2224-L2334 HydrophobicContact CD2-CD2 4.23Å |
| 2225 | L | 84.7 | Confident | 78.2 | Confident | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 176.5 | -74.5 | 174 | 0 | 0 | 0 | 111.8 | Q2194 L2197 R2198 T2201 L2221 L2222 L2228 N2229 | Q2194-L2225 HydrophobicContact CG-CD2 4.03Å; L2197-L2225 HydrophobicContact CB-CD2 3.96Å; L2197-L2225 HydrophobicContact CB-CG 4.4Å; L2197-L2225 HydrophobicContact CD1-CD2 4.45Å; R2198-L2225 HydrophobicContact CG-CD1 4.14Å; R2198-L2225 HydrophobicContact CG-CD2 4.11Å; T2201-L2225 HydrophobicContact CG2-CD1 4.36Å; T2201-L2225 WeakPolarHBondContact OG1-CD1 3.41Å; L2221-L2225 WeakPolarHBondContact O-CB 3.45Å; L2221-L2225 WeakPolarHBondContact O-CG 3.36Å; L2221-L2225 PolarHBondContact O-N 3.12Å; L2222-L2225 PolarHBondContact O-N 3.23Å; L2225-L2228 WeakPolarHBondContact O-CB 3.43Å; L2225-L2228 PolarHBondContact O-N 3.15Å; L2225-N2229 VanDerWaalsContact O-CG 3.31Å; L2225-N2229 PolarHBondContact O-N 3.2Å; L2225-N2229 VanDerWaalsContact O-N 3.15Å; L2225-N2229 PolarHBondContact O-ND2 2.99Å |
| 2226 | Q | 81.9 | Confident | 76.5 | Confident | 6.75 Ų | 6.75 | 30.6 Ų | 30.6 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 175.8 | -169.1 | -164.7 | -15.9 | 0 | 0 | 111.4 | L2222 L2223 L2224 L2228 N2229 Q2230 S2254 L2265 P2266 | L2222-Q2226 VanDerWaalsContact O-CB 3.32Å; L2222-Q2226 WeakPolarHBondContact O-CB 3.36Å; L2222-Q2226 PolarHBondContact O-N 3.25Å; L2223-Q2226 WeakPolarHBondContact O-CB 3.42Å; L2223-Q2226 PolarHBondContact O-N 3.28Å; L2224-Q2226 VanDerWaalsContact C-N 3.3Å; L2224-Q2226 PolarHBondContact O-N 3.4Å; Q2226-L2228 VanDerWaalsContact C-N 3.26Å; Q2226-L2228 PolarHBondContact O-N 2.98Å; Q2226-N2229 PolarHBondContact O-N 3.26Å; Q2226-N2229 VanDerWaalsContact O-N 3.13Å; Q2226-Q2230 WeakPolarHBondContact O-CG 3.28Å; Q2226-Q2230 PolarHBondContact O-N 3.22Å; Q2226-S2254 PolarHBondContact NE2-O 3.21Å; Q2226-S2254 VanDerWaalsContact NE2-O 3.11Å; Q2226-S2254 PolarHBondContact NE2-OG 3.4Å; Q2226-S2254 VanDerWaalsContact NE2-OG 3.09Å; Q2226-S2254 PolarHBondContact OE1-OG 3.11Å; Q2226-L2265 HydrophobicContact CG-CD2 3.99Å; Q2226-P2266 HydrophobicContact CB-CG 4.16Å; Q2226-P2266 HydrophobicContact CG-CG 4.31Å; Q2226-P2266 VanDerWaalsContact OE1-CD 3.28Å |
| 2227 | E | 78 | Confident | 74.9 | Confident | 39.5 Ų | 39.5 | 33.3 Ų | 33.3 | 19% | 0.185 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -35.8 | 177.6 | -158.5 | 168.2 | -178.9 | 0 | 0 | 112.4 | M2186 R2187 L2190 L2223 L2224 N2229 Q2230 | M2186-E2227 HydrophobicContact CE-CB 4.41Å; M2186-E2227 HydrophobicContact CE-CG 4.17Å; M2186-E2227 WeakPolarHBondContact CE-OE1 3.4Å; M2186-E2227 WeakPolarHBondContact CE-OE2 3.38Å; R2187-E2227 PolarHBondContact NE-O 2.95Å; R2187-E2227 PolarHBondContact NH1-O 3.37Å; R2187-E2227 PolarHBondContact NH2-O 3.01Å; R2187-E2227 VanDerWaalsContact NH2-O 3.16Å; L2190-E2227 HydrophobicContact CD1-CB 4.45Å; L2223-E2227 WeakPolarHBondContact O-CG 3.35Å; L2223-E2227 PolarHBondContact O-N 3.18Å; L2224-E2227 PolarHBondContact O-N 3.23Å; E2227-N2229 VanDerWaalsContact C-N 3.32Å; E2227-N2229 PolarHBondContact O-N 3.41Å; E2227-Q2230 PolarHBondContact O-N 3.15Å |
| 2228 | L | 78 | Confident | 73.2 | Confident | 28.5 Ų | 28.5 | 34.9 Ų | 34.9 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 171.9 | 176.7 | 118.8 | 0 | 0 | 0 | 112.3 | R2187 L2190 A2191 Q2194 L2224 L2225 Q2226 Q2230 | R2187-L2228 PolarHBondContact NH1-O 3.1Å; L2190-L2228 HydrophobicContact CB-CB 4.26Å; L2190-L2228 HydrophobicContact CB-CD1 3.86Å; L2190-L2228 HydrophobicContact CB-CD2 4.3Å; L2190-L2228 HydrophobicContact CB-CG 4.45Å; L2190-L2228 HydrophobicContact CD1-CB 4.49Å; L2190-L2228 WeakPolarHBondContact O-CD1 3.33Å; A2191-L2228 VanDerWaalsContact CA-CD1 3.48Å; A2191-L2228 HydrophobicContact CB-CD1 3.95Å; A2191-L2228 VanDerWaalsContact N-CD1 3.31Å; Q2194-L2228 HydrophobicContact CB-CD1 4.17Å; Q2194-L2228 HydrophobicContact CB-CD2 3.8Å; Q2194-L2228 HydrophobicContact CG-CD1 4.13Å; Q2194-L2228 HydrophobicContact CG-CD2 3.9Å; Q2194-L2228 VanDerWaalsContact CG-CD2 3.41Å; Q2194-L2228 VanDerWaalsContact NE2-CD2 3.27Å; L2224-L2228 PolarHBondContact O-N 3.01Å; L2224-L2228 VanDerWaalsContact O-N 3.14Å; L2225-L2228 WeakPolarHBondContact O-CB 3.43Å; L2225-L2228 PolarHBondContact O-N 3.15Å; Q2226-L2228 VanDerWaalsContact C-N 3.26Å; Q2226-L2228 PolarHBondContact O-N 2.98Å; L2228-Q2230 VanDerWaalsContact C-N 3.32Å; L2228-Q2230 PolarHBondContact O-N 3.07Å |
| 2229 | N | 75.7 | Confident | 71.3 | Confident | 46.25 Ų | 46.25 | 36.2 Ų | 36.2 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -77.7 | -15.2 | -176.2 | -66.4 | -35.4 | 0 | 0 | 0 | 114.1 | L2225 Q2226 E2227 N2231 V2259 I2263 | L2225-N2229 VanDerWaalsContact O-CG 3.31Å; L2225-N2229 PolarHBondContact O-N 3.2Å; L2225-N2229 VanDerWaalsContact O-N 3.15Å; L2225-N2229 PolarHBondContact O-ND2 2.99Å; Q2226-N2229 PolarHBondContact O-N 3.26Å; Q2226-N2229 VanDerWaalsContact O-N 3.13Å; E2227-N2229 VanDerWaalsContact C-N 3.32Å; E2227-N2229 PolarHBondContact O-N 3.41Å; N2229-N2231 PolarHBondContact O-N 2.72Å; N2229-N2231 VanDerWaalsContact O-N 3.16Å; N2229-V2259 HydrophobicContact CB-CG1 3.96Å; N2229-I2263 WeakPolarHBondContact ND2-CD1 3.33Å |
| 2230 | Q | 70.4 | Confident | 69.4 | Low | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -66.5 | 134.5 | 177.3 | -76.2 | 178.2 | 23.8 | 0 | 0 | 111.4 | R2187 Q2226 E2227 L2228 L2232 S2253 A2257 V2259 | R2187-Q2230 VanDerWaalsContact CZ-O 3.28Å; R2187-Q2230 PolarHBondContact NH1-O 3.16Å; R2187-Q2230 VanDerWaalsContact NH2-CB 3.33Å; R2187-Q2230 PolarHBondContact NH2-O 3.18Å; Q2226-Q2230 WeakPolarHBondContact O-CG 3.28Å; Q2226-Q2230 PolarHBondContact O-N 3.22Å; E2227-Q2230 PolarHBondContact O-N 3.15Å; L2228-Q2230 VanDerWaalsContact C-N 3.32Å; L2228-Q2230 PolarHBondContact O-N 3.07Å; Q2230-L2232 PolarHBondContact O-N 3.42Å; Q2230-S2253 PolarHBondContact NE2-OG 3.4Å; Q2230-A2257 HydrophobicContact CG-CB 3.84Å; Q2230-V2259 HydrophobicContact CG-CG2 4.05Å |
| 2231 | N | 60.7 | Low | 67.5 | Low | 94.5 Ų | 94.5 | 42.7 Ų | 42.7 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | trans | -61.3 | 132.1 | 177.5 | -76.5 | -39.6 | 0 | 0 | 0 | 112.4 | N2229 S2233 V2234 S2235 | N2229-N2231 PolarHBondContact O-N 2.72Å; N2229-N2231 VanDerWaalsContact O-N 3.16Å; N2231-S2233 VanDerWaalsContact C-N 3.27Å; N2231-S2233 PolarHBondContact O-N 3.16Å; N2231-S2233 VanDerWaalsContact O-N 3.13Å; N2231-V2234 HydrophobicContact CB-CB 4.38Å; N2231-V2234 HydrophobicContact CB-CG2 3.96Å; N2231-V2234 WeakPolarHBondContact O-CA 3.5Å; N2231-V2234 WeakPolarHBondContact O-CB 3.37Å; N2231-V2234 PolarHBondContact O-N 3.22Å; N2231-V2234 VanDerWaalsContact O-N 3.07Å; N2231-S2235 PolarHBondContact O-N 3.45Å; N2231-S2235 VanDerWaalsContact O-N 3.1Å; N2231-S2235 PolarHBondContact O-OG 3.43Å | ||
| 2232 | L | 60.5 | Low | 65.2 | Low | 80.25 Ų | 80.25 | 53.9 Ų | 53.9 | 42% | 0.42 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -33.1 | 177.8 | -132.5 | 100.4 | 0 | 0 | 0 | 112.5 | W2180 V2184 Q2230 V2234 S2235 R2236 | W2180-L2232 HydrophobicContact CH2-CD1 3.7Å; W2180-L2232 HydrophobicContact CH2-CD2 4.07Å; W2180-L2232 HydrophobicContact CH2-CG 3.8Å; W2180-L2232 HydrophobicContact CZ2-CD1 4.08Å; W2180-L2232 HydrophobicContact CZ2-CD2 4.14Å; W2180-L2232 HydrophobicContact CZ2-CG 4.13Å; V2184-L2232 HydrophobicContact CG2-CD1 4.46Å; V2184-L2232 HydrophobicContact CG2-CD2 4.24Å; Q2230-L2232 PolarHBondContact O-N 3.42Å; L2232-V2234 VanDerWaalsContact C-N 3.32Å; L2232-V2234 PolarHBondContact O-N 3.31Å; L2232-S2235 PolarHBondContact O-N 3.29Å; L2232-R2236 VanDerWaalsContact O-CB 3.3Å; L2232-R2236 WeakPolarHBondContact O-CB 3.44Å; L2232-R2236 PolarHBondContact O-N 3.14Å |
| 2233 | S | 57.2 | Low | 62.9 | Low | 82.75 Ų | 82.75 | 56.3 Ų | 56.3 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.5 | -38.4 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | N2231 R2236 S2237 | N2231-S2233 VanDerWaalsContact C-N 3.27Å; N2231-S2233 PolarHBondContact O-N 3.16Å; N2231-S2233 VanDerWaalsContact O-N 3.13Å; S2233-R2236 WeakPolarHBondContact O-CB 3.43Å; S2233-R2236 PolarHBondContact O-N 3.05Å; S2233-S2237 PolarHBondContact O-N 3.23Å |
| 2234 | V | 55.8 | Low | 60.9 | Low | 33.25 Ų | 33.25 | 58.3 Ų | 58.3 | 20% | 0.202 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -44.5 | 176.1 | 178 | 0 | 0 | 0 | 0 | 109.8 | N2231 L2232 R2236 S2237 Q2238 | N2231-V2234 HydrophobicContact CB-CB 4.38Å; N2231-V2234 HydrophobicContact CB-CG2 3.96Å; N2231-V2234 WeakPolarHBondContact O-CA 3.5Å; N2231-V2234 WeakPolarHBondContact O-CB 3.37Å; N2231-V2234 PolarHBondContact O-N 3.22Å; N2231-V2234 VanDerWaalsContact O-N 3.07Å; L2232-V2234 VanDerWaalsContact C-N 3.32Å; L2232-V2234 PolarHBondContact O-N 3.31Å; V2234-R2236 VanDerWaalsContact C-N 3.29Å; V2234-R2236 PolarHBondContact O-N 3.11Å; V2234-S2237 PolarHBondContact O-N 3.02Å; V2234-S2237 PolarHBondContact O-OG 3.31Å; V2234-S2237 VanDerWaalsContact O-OG 3.08Å; V2234-Q2238 HydrophobicContact CG1-CG 4.29Å; V2234-Q2238 VanDerWaalsContact CG1-NE2 3.3Å; V2234-Q2238 VanDerWaalsContact O-CB 3.24Å; V2234-Q2238 WeakPolarHBondContact O-CB 3.24Å; V2234-Q2238 VanDerWaalsContact O-CG 3.23Å; V2234-Q2238 WeakPolarHBondContact O-CG 3.28Å; V2234-Q2238 PolarHBondContact O-N 3.17Å |
| 2235 | S | 57.9 | Low | 59 | Low | 5.5 Ų | 5.5 | 60.8 Ų | 60.8 | 4% | 0.038 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -34.4 | 172.8 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | R2187 N2231 L2232 Q2238 L2239 | R2187-S2235 PolarHBondContact NH2-OG 2.99Å; N2231-S2235 PolarHBondContact O-N 3.45Å; N2231-S2235 VanDerWaalsContact O-N 3.1Å; N2231-S2235 PolarHBondContact O-OG 3.43Å; L2232-S2235 PolarHBondContact O-N 3.29Å; S2235-Q2238 PolarHBondContact O-N 2.91Å; S2235-L2239 VanDerWaalsContact O-CB 3.31Å; S2235-L2239 WeakPolarHBondContact O-CB 3.39Å; S2235-L2239 VanDerWaalsContact O-CD1 3.23Å; S2235-L2239 WeakPolarHBondContact O-CD1 3.4Å; S2235-L2239 VanDerWaalsContact O-CG 3.3Å; S2235-L2239 WeakPolarHBondContact O-CG 3.36Å; S2235-L2239 PolarHBondContact O-N 3.07Å |
| 2236 | R | 52.9 | Low | 57.2 | Low | 151.5 Ų | 151.5 | 63.5 Ų | 63.5 | 57% | 0.572 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.2 | -44.7 | 175.9 | -167.2 | 176.1 | 177.5 | 170.9 | 0.5 | 111.9 | W2180 L2232 S2233 V2234 Q2238 L2239 T2240 | W2180-R2236 HydrophobicContact CE3-CB 4.4Å; W2180-R2236 HydrophobicContact CE3-CG 4.44Å; W2180-R2236 HydrophobicContact CH2-CB 3.79Å; W2180-R2236 HydrophobicContact CH2-CG 4.04Å; W2180-R2236 HydrophobicContact CZ2-CB 4.5Å; W2180-R2236 VanDerWaalsContact CZ3-CA 3.41Å; W2180-R2236 HydrophobicContact CZ3-CB 3.58Å; W2180-R2236 VanDerWaalsContact CZ3-CB 3.46Å; W2180-R2236 HydrophobicContact CZ3-CG 4.05Å; L2232-R2236 VanDerWaalsContact O-CB 3.3Å; L2232-R2236 WeakPolarHBondContact O-CB 3.44Å; L2232-R2236 PolarHBondContact O-N 3.14Å; S2233-R2236 WeakPolarHBondContact O-CB 3.43Å; S2233-R2236 PolarHBondContact O-N 3.05Å; V2234-R2236 VanDerWaalsContact C-N 3.29Å; V2234-R2236 PolarHBondContact O-N 3.11Å; R2236-Q2238 VanDerWaalsContact C-N 3.34Å; R2236-Q2238 PolarHBondContact O-N 3.5Å; R2236-L2239 PolarHBondContact O-N 3.17Å; R2236-T2240 HydrophobicContact CG-CG2 4.29Å; R2236-T2240 VanDerWaalsContact O-CB 3.28Å; R2236-T2240 WeakPolarHBondContact O-CB 3.42Å; R2236-T2240 VanDerWaalsContact O-CG2 3.26Å; R2236-T2240 WeakPolarHBondContact O-CG2 3.25Å; R2236-T2240 PolarHBondContact O-N 3.3Å; R2236-T2240 VanDerWaalsContact O-N 3.13Å; R2236-T2240 PolarHBondContact O-OG1 2.82Å |
| 2237 | S | 54 | Low | 55.7 | Low | 61.75 Ų | 61.75 | 64.2 Ų | 64.2 | 43% | 0.432 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.8 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | S2233 V2234 L2239 T2240 S2241 | S2233-S2237 PolarHBondContact O-N 3.23Å; V2234-S2237 PolarHBondContact O-N 3.02Å; V2234-S2237 PolarHBondContact O-OG 3.31Å; V2234-S2237 VanDerWaalsContact O-OG 3.08Å; S2237-L2239 VanDerWaalsContact C-N 3.32Å; S2237-L2239 PolarHBondContact O-N 3.17Å; S2237-T2240 WeakPolarHBondContact CA-OG1 3.35Å; S2237-T2240 PolarHBondContact O-N 3.12Å; S2237-T2240 PolarHBondContact O-OG1 3.16Å; S2237-S2241 WeakPolarHBondContact O-CB 3.35Å; S2237-S2241 PolarHBondContact O-N 3.21Å; S2237-S2241 PolarHBondContact O-OG 2.66Å |
| 2238 | Q | 54.7 | Low | 54.8 | Low | 35.25 Ų | 35.25 | 63.7 Ų | 63.7 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.5 | -72.2 | 176 | -8.9 | 0 | 0 | 112.4 | V2234 S2235 R2236 T2240 S2241 L2243 V2245 F2246 L2256 | V2234-Q2238 HydrophobicContact CG1-CG 4.29Å; V2234-Q2238 VanDerWaalsContact CG1-NE2 3.3Å; V2234-Q2238 VanDerWaalsContact O-CB 3.24Å; V2234-Q2238 WeakPolarHBondContact O-CB 3.24Å; V2234-Q2238 VanDerWaalsContact O-CG 3.23Å; V2234-Q2238 WeakPolarHBondContact O-CG 3.28Å; V2234-Q2238 PolarHBondContact O-N 3.17Å; S2235-Q2238 PolarHBondContact O-N 2.91Å; R2236-Q2238 VanDerWaalsContact C-N 3.34Å; R2236-Q2238 PolarHBondContact O-N 3.5Å; Q2238-T2240 VanDerWaalsContact C-N 3.28Å; Q2238-T2240 PolarHBondContact O-N 3.43Å; Q2238-S2241 VanDerWaalsContact C-OG 3.3Å; Q2238-S2241 VanDerWaalsContact CA-OG 3.3Å; Q2238-S2241 WeakPolarHBondContact CA-OG 3.35Å; Q2238-S2241 PolarHBondContact O-N 3.23Å; Q2238-S2241 PolarHBondContact O-OG 3.34Å; Q2238-L2243 HydrophobicContact CB-CD1 4.48Å; Q2238-L2243 HydrophobicContact CG-CD1 4.35Å; Q2238-V2245 HydrophobicContact CB-CG2 4.23Å; Q2238-V2245 HydrophobicContact CG-CG2 4.45Å; Q2238-V2245 WeakPolarHBondContact O-CG2 3.46Å; Q2238-F2246 HydrophobicContact CB-CE2 4.22Å; Q2238-F2246 HydrophobicContact CB-CZ 4.36Å; Q2238-L2256 PolarHBondContact NE2-O 3.29Å |
| 2239 | L | 50.8 | Low | 54.5 | Low | 33 Ų | 33 | 62.7 Ų | 62.7 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.6 | -27.5 | 176.6 | -76.1 | 166.3 | 0 | 0 | 0 | 113.7 | L2176 R2179 W2180 T2183 S2235 R2236 S2237 F2246 | L2176-L2239 HydrophobicContact CD2-CD2 4.31Å; L2176-L2239 WeakPolarHBondContact CD2-O 3.4Å; R2179-L2239 HydrophobicContact CB-CD2 4.24Å; W2180-L2239 HydrophobicContact CD2-CD1 3.96Å; W2180-L2239 HydrophobicContact CE3-CB 4.43Å; W2180-L2239 HydrophobicContact CE3-CD1 3.33Å; W2180-L2239 VanDerWaalsContact CE3-CD1 3.44Å; W2180-L2239 HydrophobicContact CE3-CG 4.49Å; W2180-L2239 HydrophobicContact CH2-CD1 4.23Å; W2180-L2239 HydrophobicContact CZ3-CD1 3.71Å; T2183-L2239 HydrophobicContact CG2-CD1 4.45Å; S2235-L2239 VanDerWaalsContact O-CB 3.31Å; S2235-L2239 WeakPolarHBondContact O-CB 3.39Å; S2235-L2239 VanDerWaalsContact O-CD1 3.23Å; S2235-L2239 WeakPolarHBondContact O-CD1 3.4Å; S2235-L2239 VanDerWaalsContact O-CG 3.3Å; S2235-L2239 WeakPolarHBondContact O-CG 3.36Å; S2235-L2239 PolarHBondContact O-N 3.07Å; R2236-L2239 PolarHBondContact O-N 3.17Å; S2237-L2239 VanDerWaalsContact C-N 3.32Å; S2237-L2239 PolarHBondContact O-N 3.17Å; L2239-F2246 HydrophobicContact CD2-CD2 4.38Å; L2239-F2246 HydrophobicContact CD2-CZ 4.34Å; L2239-F2246 HydrophobicContact CG-CE2 4.38Å |
| 2240 | T | 47.5 | Very low | 54.4 | Low | 103 Ų | 103 | 61.2 Ų | 61.2 | 63% | 0.632 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -82.6 | -22.1 | 176.5 | 60.1 | 0 | 0 | 0 | 0 | 113 | R2236 S2237 Q2238 R2242 | R2236-T2240 HydrophobicContact CG-CG2 4.29Å; R2236-T2240 VanDerWaalsContact O-CB 3.28Å; R2236-T2240 WeakPolarHBondContact O-CB 3.42Å; R2236-T2240 VanDerWaalsContact O-CG2 3.26Å; R2236-T2240 WeakPolarHBondContact O-CG2 3.25Å; R2236-T2240 PolarHBondContact O-N 3.3Å; R2236-T2240 VanDerWaalsContact O-N 3.13Å; R2236-T2240 PolarHBondContact O-OG1 2.82Å; S2237-T2240 WeakPolarHBondContact CA-OG1 3.35Å; S2237-T2240 PolarHBondContact O-N 3.12Å; S2237-T2240 PolarHBondContact O-OG1 3.16Å; Q2238-T2240 VanDerWaalsContact C-N 3.28Å; Q2238-T2240 PolarHBondContact O-N 3.43Å; T2240-R2242 PolarHBondContact O-N 3.28Å |
| 2241 | S | 47.9 | Very low | 54.7 | Low | 37.5 Ų | 37.5 | 60.4 Ų | 60.4 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 140.2 | 170.7 | 77.8 | 0 | 0 | 0 | 0 | 109.7 | S2237 Q2238 L2243 | S2237-S2241 WeakPolarHBondContact O-CB 3.35Å; S2237-S2241 PolarHBondContact O-N 3.21Å; S2237-S2241 PolarHBondContact O-OG 2.66Å; Q2238-S2241 VanDerWaalsContact C-OG 3.3Å; Q2238-S2241 VanDerWaalsContact CA-OG 3.3Å; Q2238-S2241 WeakPolarHBondContact CA-OG 3.35Å; Q2238-S2241 PolarHBondContact O-N 3.23Å; Q2238-S2241 PolarHBondContact O-OG 3.34Å; S2241-L2243 PolarHBondContact O-N 3.21Å; S2241-L2243 WeakPolarHBondContact OG-CB 3.23Å; S2241-L2243 WeakPolarHBondContact OG-CD1 3.21Å; S2241-L2243 WeakPolarHBondContact OG-CG 3.46Å; S2241-L2243 PolarHBondContact OG-O 3.05Å |
| 2242 | R | 41.4 | Very low | 55.2 | Low | 236.5 Ų | 236.5 | 56.4 Ų | 56.4 | 89% | 0.892 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 21.2 | 178.2 | -67.2 | -169.1 | 179.6 | -154.6 | -1.2 | 112.9 | T2240 | T2240-R2242 PolarHBondContact O-N 3.28Š|
| 2243 | L | 40.5 | Very low | 55.7 | Low | 64.25 Ų | 64.25 | 53.8 Ų | 53.8 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -88 | 131.8 | 175.9 | -86.7 | 129.7 | 0 | 0 | 0 | 108.8 | Q2238 S2241 V2245 L2256 C2363 T2367 | Q2238-L2243 HydrophobicContact CB-CD1 4.48Å; Q2238-L2243 HydrophobicContact CG-CD1 4.35Å; S2241-L2243 PolarHBondContact O-N 3.21Å; S2241-L2243 WeakPolarHBondContact OG-CB 3.23Å; S2241-L2243 WeakPolarHBondContact OG-CD1 3.21Å; S2241-L2243 WeakPolarHBondContact OG-CG 3.46Å; S2241-L2243 PolarHBondContact OG-O 3.05Å; L2243-V2245 PolarHBondContact O-N 3.21Å; L2243-L2256 HydrophobicContact CD2-CD1 3.69Å; L2243-C2363 HydrophobicContact CD2-CB 4.34Å; L2243-T2367 HydrophobicContact CD1-CG2 4.32Å |
| 2244 | P | 42.8 | Very low | 56.3 | Low | 55 Ų | 55 | 50.2 Ų | 50.2 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 133.3 | 176.1 | 5 | -2.9 | 0 | 0 | 0 | 109.9 | L2176 F2246 T2248 F2249 | L2176-P2244 HydrophobicContact CD2-CB 4.21Å; L2176-P2244 HydrophobicContact CD2-CG 4.37Å; P2244-F2246 HydrophobicContact CB-CB 4.02Å; P2244-F2246 HydrophobicContact CB-CD2 3.6Å; P2244-F2246 HydrophobicContact CB-CE2 3.26Å; P2244-F2246 HydrophobicContact CB-CG 4.33Å; P2244-F2246 HydrophobicContact CB-CZ 4.33Å; P2244-F2246 HydrophobicContact CG-CD2 3.33Å; P2244-F2246 HydrophobicContact CG-CE2 3.77Å; P2244-F2246 HydrophobicContact CG-CG 4.37Å; P2244-F2246 PolarHBondContact O-N 3.35Å; P2244-T2248 VanDerWaalsContact C-OG1 3.26Å; P2244-T2248 WeakPolarHBondContact CA-OG1 3.39Å; P2244-T2248 WeakPolarHBondContact CB-OG1 3.32Å; P2244-F2249 HydrophobicContact CB-CB 4.45Å |
| 2245 | V | 46.6 | Very low | 57 | Low | 54.25 Ų | 54.25 | 49.4 Ų | 49.4 | 33% | 0.329 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 88 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | Q2238 L2243 G2247 T2248 | Q2238-V2245 HydrophobicContact CB-CG2 4.23Å; Q2238-V2245 HydrophobicContact CG-CG2 4.45Å; Q2238-V2245 WeakPolarHBondContact O-CG2 3.46Å; L2243-V2245 PolarHBondContact O-N 3.21Å; V2245-G2247 PolarHBondContact O-N 3.04Å; V2245-G2247 VanDerWaalsContact O-N 3.15Å; V2245-T2248 HydrophobicContact CB-CG2 4Å; V2245-T2248 HydrophobicContact CG1-CG2 3.75Å; V2245-T2248 WeakPolarHBondContact CG1-OG1 3.42Å; V2245-T2248 PolarHBondContact N-OG1 3.3Å; V2245-T2248 VanDerWaalsContact N-OG1 3.17Å; V2245-T2248 WeakPolarHBondContact O-CB 3.33Å; V2245-T2248 PolarHBondContact O-N 3.12Å; V2245-T2248 PolarHBondContact O-OG1 3.18Å |
| 2246 | F | 45.8 | Very low | 57.3 | Low | 64.75 Ų | 64.75 | 51.3 Ų | 51.3 | 28% | 0.284 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 97.8 | 172.3 | -71 | -79.6 | 0 | 0 | 0 | 110.4 | L2176 R2179 Q2238 L2239 P2244 | L2176-F2246 HydrophobicContact CD2-CD2 4.35Å; L2176-F2246 HydrophobicContact CD2-CE2 3.43Å; L2176-F2246 VanDerWaalsContact CD2-CE2 3.43Å; L2176-F2246 HydrophobicContact CD2-CZ 4.2Å; R2179-F2246 HydrophobicContact CB-CZ 4.47Å; R2179-F2246 VanDerWaalsContact NH2-CD1 3.32Å; Q2238-F2246 HydrophobicContact CB-CE2 4.22Å; Q2238-F2246 HydrophobicContact CB-CZ 4.36Å; L2239-F2246 HydrophobicContact CD2-CD2 4.38Å; L2239-F2246 HydrophobicContact CD2-CZ 4.34Å; L2239-F2246 HydrophobicContact CG-CE2 4.38Å; P2244-F2246 HydrophobicContact CB-CB 4.02Å; P2244-F2246 HydrophobicContact CB-CD2 3.6Å; P2244-F2246 HydrophobicContact CB-CE2 3.26Å; P2244-F2246 HydrophobicContact CB-CG 4.33Å; P2244-F2246 HydrophobicContact CB-CZ 4.33Å; P2244-F2246 HydrophobicContact CG-CD2 3.33Å; P2244-F2246 HydrophobicContact CG-CE2 3.77Å; P2244-F2246 HydrophobicContact CG-CG 4.37Å; P2244-F2246 PolarHBondContact O-N 3.35Å |
| 2247 | G | 51.1 | Low | 57.9 | Low | 21 Ų | 21 | 44.9 Ų | 44.9 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 133.7 | -5.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V2245 W2505 | V2245-G2247 PolarHBondContact O-N 3.04Å; V2245-G2247 VanDerWaalsContact O-N 3.15Å; G2247-W2505 VanDerWaalsContact O-CB 3.26Å; G2247-W2505 WeakPolarHBondContact O-CB 3.18Å |
| 2248 | T | 58.9 | Low | 58.1 | Low | 29.25 Ų | 29.25 | 43.9 Ų | 43.9 | 18% | 0.179 | 24% | 0.24 | C | C | . | . | trans | -89.2 | 45 | 177 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | P2244 V2245 M2252 D2317 W2505 | P2244-T2248 VanDerWaalsContact C-OG1 3.26Å; P2244-T2248 WeakPolarHBondContact CA-OG1 3.39Å; P2244-T2248 WeakPolarHBondContact CB-OG1 3.32Å; V2245-T2248 HydrophobicContact CB-CG2 4Å; V2245-T2248 HydrophobicContact CG1-CG2 3.75Å; V2245-T2248 WeakPolarHBondContact CG1-OG1 3.42Å; V2245-T2248 PolarHBondContact N-OG1 3.3Å; V2245-T2248 VanDerWaalsContact N-OG1 3.17Å; V2245-T2248 WeakPolarHBondContact O-CB 3.33Å; V2245-T2248 PolarHBondContact O-N 3.12Å; V2245-T2248 PolarHBondContact O-OG1 3.18Å; T2248-M2252 HydrophobicContact CG2-CE 4.36Å; T2248-M2252 HydrophobicContact CG2-SD 3.48Å; T2248-M2252 WeakPolarHBondContact CG2-SD 3.43Å; T2248-D2317 VanDerWaalsContact CA-CG 3.46Å; T2248-D2317 WeakPolarHBondContact CA-OD1 3.49Å; T2248-D2317 WeakPolarHBondContact CG2-OD2 3.29Å; T2248-W2505 VanDerWaalsContact O-CD1 3.31Å | ||
| 2249 | F | 70.8 | Confident | 58.1 | Low | 6.25 Ų | 6.25 | 43.6 Ų | 43.6 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | trans | -109.6 | 116.2 | 173.7 | 123.9 | -130.2 | 0 | 0 | 0 | 112 | P2244 L2251 M2252 S2253 L2315 W2358 P2359 W2505 | P2244-F2249 HydrophobicContact CB-CB 4.45Å; F2249-L2251 VanDerWaalsContact C-N 3.31Å; F2249-L2251 HydrophobicContact CD2-CB 3.97Å; F2249-L2251 HydrophobicContact CE2-CB 3.87Å; F2249-L2251 HydrophobicContact CE2-CD2 4.36Å; F2249-L2251 HydrophobicContact CE2-CG 4.36Å; F2249-L2251 PolarHBondContact O-N 3.26Å; F2249-M2252 HydrophobicContact CB-CB 4.46Å; F2249-M2252 HydrophobicContact CD1-CB 3.88Å; F2249-M2252 VanDerWaalsContact CD1-CB 3.42Å; F2249-M2252 HydrophobicContact CD1-CE 3.83Å; F2249-M2252 HydrophobicContact CD1-CG 3.48Å; F2249-M2252 HydrophobicContact CD1-SD 4.15Å; F2249-M2252 HydrophobicContact CD2-CB 4.1Å; F2249-M2252 HydrophobicContact CD2-CG 4.18Å; F2249-M2252 VanDerWaalsContact CD2-N 3.29Å; F2249-M2252 HydrophobicContact CE1-CB 3.8Å; F2249-M2252 VanDerWaalsContact CE1-CB 3.49Å; F2249-M2252 HydrophobicContact CE1-CE 3.6Å; F2249-M2252 HydrophobicContact CE1-CG 3.05Å; F2249-M2252 HydrophobicContact CE1-SD 3.75Å; F2249-M2252 WeakPolarHBondContact CE1-SD 3.49Å; F2249-M2252 HydrophobicContact CE2-CB 3.97Å; F2249-M2252 HydrophobicContact CE2-CG 3.79Å; F2249-M2252 VanDerWaalsContact CE2-N 3.32Å; F2249-M2252 HydrophobicContact CG-CB 4.05Å; F2249-M2252 HydrophobicContact CG-CG 4.04Å; F2249-M2252 HydrophobicContact CZ-CB 3.83Å; F2249-M2252 HydrophobicContact CZ-CE 4.1Å; F2249-M2252 HydrophobicContact CZ-CG 3.8Å; F2249-M2252 HydrophobicContact CZ-SD 3.98Å; F2249-M2252 WeakPolarHBondContact O-CB 3.44Å; F2249-M2252 PolarHBondContact O-N 3.27Å; F2249-S2253 PolarHBondContact O-N 2.96Å; F2249-S2253 VanDerWaalsContact O-N 3.14Å; F2249-S2253 PolarHBondContact O-OG 3.12Å; F2249-L2315 HydrophobicContact CD2-CD2 3.88Å; F2249-L2315 HydrophobicContact CE2-CD2 3.59Å; F2249-L2315 HydrophobicContact CG-CD2 4.35Å; F2249-L2315 HydrophobicContact CZ-CD2 4.28Å; F2249-W2358 AromaticContact CE1-CH2 3.99Å; F2249-W2358 HydrophobicContact CE1-CH2 4.26Å; F2249-W2358 AromaticContact CE1-CZ2 3.95Å; F2249-W2358 HydrophobicContact CE1-CZ2 4.17Å; F2249-W2358 AromaticContact CE2-CH2 3.9Å; F2249-W2358 HydrophobicContact CE2-CH2 4.11Å; F2249-W2358 HydrophobicContact CE2-CZ2 4.23Å; F2249-W2358 AromaticContact CZ-CH2 3.43Å; F2249-W2358 HydrophobicContact CZ-CH2 3.43Å; F2249-W2358 AromaticContact CZ-CZ2 3.54Å; F2249-W2358 HydrophobicContact CZ-CZ2 3.54Å; F2249-W2358 VanDerWaalsContact CZ-CZ2 3.49Å; F2249-W2358 HydrophobicContact CZ-CZ3 4.22Å; F2249-P2359 HydrophobicContact CE1-CB 3.99Å; F2249-P2359 HydrophobicContact CE1-CG 4.4Å; F2249-P2359 HydrophobicContact CZ-CB 4.35Å; F2249-W2505 HydrophobicContact CB-CG 4.47Å; F2249-W2505 HydrophobicContact CB-CZ2 4.26Å; F2249-W2505 AromaticContact CD1-CD2 3.6Å; F2249-W2505 HydrophobicContact CD1-CD2 3.6Å; F2249-W2505 AromaticContact CD1-CE2 3.31Å; F2249-W2505 AromaticContact CD1-CE3 3.81Å; F2249-W2505 HydrophobicContact CD1-CE3 3.81Å; F2249-W2505 AromaticContact CD1-CG 3.94Å; F2249-W2505 HydrophobicContact CD1-CG 4.18Å; F2249-W2505 AromaticContact CD1-CH2 3.69Å; F2249-W2505 HydrophobicContact CD1-CH2 3.69Å; F2249-W2505 AromaticContact CD1-CZ2 3.41Å; F2249-W2505 HydrophobicContact CD1-CZ2 3.74Å; F2249-W2505 VanDerWaalsContact CD1-CZ2 3.5Å; F2249-W2505 AromaticContact CD1-CZ3 3.86Å; F2249-W2505 HydrophobicContact CD1-CZ3 3.99Å; F2249-W2505 AromaticContact CD1-NE1 3.82Å; F2249-W2505 HydrophobicContact CD2-CZ2 4.12Å; F2249-W2505 AromaticContact CE1-CD2 3.8Å; F2249-W2505 HydrophobicContact CE1-CD2 3.96Å; F2249-W2505 AromaticContact CE1-CE2 3.82Å; F2249-W2505 AromaticContact CE1-CE3 3.69Å; F2249-W2505 HydrophobicContact CE1-CE3 3.69Å; F2249-W2505 VanDerWaalsContact CE1-CE3 3.5Å; F2249-W2505 AromaticContact CE1-CH2 3.57Å; F2249-W2505 HydrophobicContact CE1-CH2 3.57Å; F2249-W2505 VanDerWaalsContact CE1-CH2 3.45Å; F2249-W2505 AromaticContact CE1-CZ2 3.75Å; F2249-W2505 HydrophobicContact CE1-CZ2 3.84Å; F2249-W2505 AromaticContact CE1-CZ3 3.49Å; F2249-W2505 HydrophobicContact CE1-CZ3 3.49Å; F2249-W2505 VanDerWaalsContact CE1-CZ3 3.46Å; F2249-W2505 AromaticContact CE2-CH2 3.96Å; F2249-W2505 HydrophobicContact CE2-CH2 3.96Å; F2249-W2505 AromaticContact CE2-CZ2 3.78Å; F2249-W2505 HydrophobicContact CE2-CZ2 3.78Å; F2249-W2505 HydrophobicContact CG-CD2 4.28Å; F2249-W2505 AromaticContact CG-CE2 3.83Å; F2249-W2505 HydrophobicContact CG-CG 4.43Å; F2249-W2505 HydrophobicContact CG-CH2 4.41Å; F2249-W2505 AromaticContact CG-CZ2 3.91Å; F2249-W2505 HydrophobicContact CG-CZ2 4.09Å; F2249-W2505 AromaticContact CG-NE1 3.96Å; F2249-W2505 HydrophobicContact CZ-CD2 4.36Å; F2249-W2505 HydrophobicContact CZ-CE3 4.11Å; F2249-W2505 AromaticContact CZ-CH2 3.42Å; F2249-W2505 HydrophobicContact CZ-CH2 3.92Å; F2249-W2505 VanDerWaalsContact CZ-CH2 3.42Å; F2249-W2505 AromaticContact CZ-CZ2 3.7Å; F2249-W2505 HydrophobicContact CZ-CZ2 4.01Å; F2249-W2505 AromaticContact CZ-CZ3 3.63Å; F2249-W2505 HydrophobicContact CZ-CZ3 3.93Å | ||
| 2250 | P | 74 | Confident | 58.2 | Low | 15.75 Ų | 15.75 | 51.8 Ų | 51.8 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.5 | -42.1 | -173.3 | -26.2 | 32.6 | 0 | 0 | 0 | 114.8 | L2223 M2252 S2253 S2254 S2314 | L2223-P2250 HydrophobicContact CD1-CB 3.75Å; L2223-P2250 HydrophobicContact CD1-CG 4.45Å; L2223-P2250 HydrophobicContact CD2-CB 3.79Å; L2223-P2250 HydrophobicContact CG-CB 4.41Å; P2250-M2252 VanDerWaalsContact C-N 3.3Å; P2250-M2252 PolarHBondContact O-N 2.99Å; P2250-S2253 VanDerWaalsContact CA-OG 3.31Å; P2250-S2253 WeakPolarHBondContact CA-OG 3.38Å; P2250-S2253 WeakPolarHBondContact O-CB 3.25Å; P2250-S2253 PolarHBondContact O-N 3.16Å; P2250-S2253 PolarHBondContact O-OG 2.82Å; P2250-S2254 WeakPolarHBondContact O-CB 3.5Å; P2250-S2254 PolarHBondContact O-N 3.02Å; P2250-S2314 VanDerWaalsContact CD-O 3.31Å; P2250-S2314 WeakPolarHBondContact CD-O 3.37Å |
| 2251 | L | 76.2 | Confident | 58.6 | Low | 2.5 Ų | 2.5 | 48.8 Ų | 48.8 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 179.7 | -171.8 | 68.7 | 0 | 0 | 0 | 112.7 | F2249 S2254 S2255 L2267 M2311 S2314 L2315 L2379 L2383 | F2249-L2251 VanDerWaalsContact C-N 3.31Å; F2249-L2251 HydrophobicContact CD2-CB 3.97Å; F2249-L2251 HydrophobicContact CE2-CB 3.87Å; F2249-L2251 HydrophobicContact CE2-CD2 4.36Å; F2249-L2251 HydrophobicContact CE2-CG 4.36Å; F2249-L2251 PolarHBondContact O-N 3.26Å; L2251-S2254 WeakPolarHBondContact O-CB 3.4Å; L2251-S2254 PolarHBondContact O-N 3.29Å; L2251-S2254 PolarHBondContact O-OG 3.07Å; L2251-S2255 PolarHBondContact O-N 3.11Å; L2251-S2255 VanDerWaalsContact O-N 3.1Å; L2251-L2267 HydrophobicContact CD1-CD1 3.95Å; L2251-L2267 HydrophobicContact CG-CD1 4.44Å; L2251-M2311 HydrophobicContact CD2-CE 3.89Å; L2251-S2314 PolarHBondContact N-O 3.13Å; L2251-S2314 VanDerWaalsContact N-O 3.13Å; L2251-L2315 HydrophobicContact CB-CD2 4.3Å; L2251-L2315 HydrophobicContact CD2-CD2 3.94Å; L2251-L2315 HydrophobicContact CD2-CG 4.47Å; L2251-L2379 HydrophobicContact CD2-CD2 4.44Å; L2251-L2379 HydrophobicContact CG-CD2 4.29Å; L2251-L2383 HydrophobicContact CD2-CD2 4.33Å |
| 2252 | M | 71.1 | Confident | 58.8 | Low | 10.25 Ų | 10.25 | 55.2 Ų | 55.2 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.3 | -39.6 | 175.5 | -122.9 | -137.4 | -52.4 | 0 | 0 | 111.9 | T2248 F2249 P2250 S2254 S2255 L2256 W2358 P2359 L2379 | T2248-M2252 HydrophobicContact CG2-CE 4.36Å; T2248-M2252 HydrophobicContact CG2-SD 3.48Å; T2248-M2252 WeakPolarHBondContact CG2-SD 3.43Å; F2249-M2252 HydrophobicContact CB-CB 4.46Å; F2249-M2252 HydrophobicContact CD1-CB 3.88Å; F2249-M2252 VanDerWaalsContact CD1-CB 3.42Å; F2249-M2252 HydrophobicContact CD1-CE 3.83Å; F2249-M2252 HydrophobicContact CD1-CG 3.48Å; F2249-M2252 HydrophobicContact CD1-SD 4.15Å; F2249-M2252 HydrophobicContact CD2-CB 4.1Å; F2249-M2252 HydrophobicContact CD2-CG 4.18Å; F2249-M2252 VanDerWaalsContact CD2-N 3.29Å; F2249-M2252 HydrophobicContact CE1-CB 3.8Å; F2249-M2252 VanDerWaalsContact CE1-CB 3.49Å; F2249-M2252 HydrophobicContact CE1-CE 3.6Å; F2249-M2252 HydrophobicContact CE1-CG 3.05Å; F2249-M2252 HydrophobicContact CE1-SD 3.75Å; F2249-M2252 WeakPolarHBondContact CE1-SD 3.49Å; F2249-M2252 HydrophobicContact CE2-CB 3.97Å; F2249-M2252 HydrophobicContact CE2-CG 3.79Å; F2249-M2252 VanDerWaalsContact CE2-N 3.32Å; F2249-M2252 HydrophobicContact CG-CB 4.05Å; F2249-M2252 HydrophobicContact CG-CG 4.04Å; F2249-M2252 HydrophobicContact CZ-CB 3.83Å; F2249-M2252 HydrophobicContact CZ-CE 4.1Å; F2249-M2252 HydrophobicContact CZ-CG 3.8Å; F2249-M2252 HydrophobicContact CZ-SD 3.98Å; F2249-M2252 WeakPolarHBondContact O-CB 3.44Å; F2249-M2252 PolarHBondContact O-N 3.27Å; P2250-M2252 VanDerWaalsContact C-N 3.3Å; P2250-M2252 PolarHBondContact O-N 2.99Å; M2252-S2254 PolarHBondContact O-N 3.01Å; M2252-S2255 WeakPolarHBondContact CA-OG 3.48Å; M2252-S2255 PolarHBondContact O-N 3.06Å; M2252-S2255 VanDerWaalsContact O-N 3.09Å; M2252-S2255 PolarHBondContact O-OG 3.08Å; M2252-S2255 VanDerWaalsContact O-OG 3.06Å; M2252-L2256 HydrophobicContact CE-CD1 4.49Å; M2252-L2256 HydrophobicContact CG-CD1 4.12Å; M2252-L2256 HydrophobicContact CG-CG 4.39Å; M2252-L2256 WeakPolarHBondContact O-CB 3.42Å; M2252-L2256 VanDerWaalsContact O-CG 3.24Å; M2252-L2256 WeakPolarHBondContact O-CG 3.29Å; M2252-L2256 PolarHBondContact O-N 3.11Å; M2252-L2256 VanDerWaalsContact O-N 3.13Å; M2252-L2256 HydrophobicContact SD-CD1 4.14Å; M2252-W2358 HydrophobicContact CG-CH2 4.3Å; M2252-W2358 HydrophobicContact SD-CH2 3.98Å; M2252-W2358 HydrophobicContact SD-CZ3 3.94Å; M2252-P2359 HydrophobicContact CE-CB 3.94Å; M2252-P2359 HydrophobicContact CE-CG 3.87Å; M2252-P2359 VanDerWaalsContact CE-CG 3.45Å; M2252-P2359 HydrophobicContact SD-CB 4.13Å; M2252-P2359 HydrophobicContact SD-CG 3.97Å; M2252-L2379 HydrophobicContact CE-CD1 3.88Å; M2252-L2379 HydrophobicContact CG-CD1 4.1Å; M2252-L2379 VanDerWaalsContact CG-CD1 3.46Å; M2252-L2379 HydrophobicContact SD-CD1 3.33Å; M2252-L2379 VanDerWaalsContact SD-CD1 3.5Å; M2252-L2379 WeakPolarHBondContact SD-CD1 3.39Å |
| 2253 | S | 70.8 | Confident | 59.4 | Low | 27.5 Ų | 27.5 | 46.7 Ų | 46.7 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -34.8 | 171.1 | 40.1 | 0 | 0 | 0 | 0 | 111.2 | Q2230 F2249 P2250 L2256 A2257 | Q2230-S2253 PolarHBondContact NE2-OG 3.4Å; F2249-S2253 PolarHBondContact O-N 2.96Å; F2249-S2253 VanDerWaalsContact O-N 3.14Å; F2249-S2253 PolarHBondContact O-OG 3.12Å; P2250-S2253 VanDerWaalsContact CA-OG 3.31Å; P2250-S2253 WeakPolarHBondContact CA-OG 3.38Å; P2250-S2253 WeakPolarHBondContact O-CB 3.25Å; P2250-S2253 PolarHBondContact O-N 3.16Å; P2250-S2253 PolarHBondContact O-OG 2.82Å; S2253-L2256 PolarHBondContact O-N 3.32Å; S2253-A2257 WeakPolarHBondContact O-CB 3.28Å; S2253-A2257 PolarHBondContact O-N 3.01Å |
| 2254 | S | 69.8 | Low | 60.2 | Low | 6.25 Ų | 6.25 | 46.2 Ų | 46.2 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 173.8 | 161.1 | 0 | 0 | 0 | 0 | 113.6 | Q2226 P2250 L2251 M2252 L2256 A2257 P2266 L2267 | Q2226-S2254 PolarHBondContact NE2-O 3.21Å; Q2226-S2254 VanDerWaalsContact NE2-O 3.11Å; Q2226-S2254 PolarHBondContact NE2-OG 3.4Å; Q2226-S2254 VanDerWaalsContact NE2-OG 3.09Å; Q2226-S2254 PolarHBondContact OE1-OG 3.11Å; P2250-S2254 WeakPolarHBondContact O-CB 3.5Å; P2250-S2254 PolarHBondContact O-N 3.02Å; L2251-S2254 WeakPolarHBondContact O-CB 3.4Å; L2251-S2254 PolarHBondContact O-N 3.29Å; L2251-S2254 PolarHBondContact O-OG 3.07Å; M2252-S2254 PolarHBondContact O-N 3.01Å; S2254-L2256 VanDerWaalsContact C-N 3.32Å; S2254-L2256 PolarHBondContact O-N 3.25Å; S2254-A2257 WeakPolarHBondContact O-CB 3.43Å; S2254-A2257 PolarHBondContact O-N 2.92Å; S2254-P2266 WeakPolarHBondContact OG-CG 3.37Å; S2254-L2267 WeakPolarHBondContact OG-CB 3.47Å |
| 2255 | S | 71.3 | Confident | 61.6 | Low | 16.75 Ų | 16.75 | 45.7 Ų | 45.7 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.6 | -27.1 | 178.7 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | L2251 M2252 A2257 L2379 | L2251-S2255 PolarHBondContact O-N 3.11Å; L2251-S2255 VanDerWaalsContact O-N 3.1Å; M2252-S2255 WeakPolarHBondContact CA-OG 3.48Å; M2252-S2255 PolarHBondContact O-N 3.06Å; M2252-S2255 VanDerWaalsContact O-N 3.09Å; M2252-S2255 PolarHBondContact O-OG 3.08Å; M2252-S2255 VanDerWaalsContact O-OG 3.06Å; S2255-A2257 VanDerWaalsContact C-N 3.31Å; S2255-L2379 WeakPolarHBondContact OG-CD1 3.33Å |
| 2256 | L | 65.2 | Low | 63.3 | Low | 45 Ų | 45 | 43.1 Ų | 43.1 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9.2 | 179.1 | -66.6 | 172.5 | 0 | 0 | 0 | 112.7 | Q2238 L2243 M2252 S2253 S2254 S2258 L2368 | Q2238-L2256 PolarHBondContact NE2-O 3.29Å; L2243-L2256 HydrophobicContact CD2-CD1 3.69Å; M2252-L2256 HydrophobicContact CE-CD1 4.49Å; M2252-L2256 HydrophobicContact CG-CD1 4.12Å; M2252-L2256 HydrophobicContact CG-CG 4.39Å; M2252-L2256 WeakPolarHBondContact O-CB 3.42Å; M2252-L2256 VanDerWaalsContact O-CG 3.24Å; M2252-L2256 WeakPolarHBondContact O-CG 3.29Å; M2252-L2256 PolarHBondContact O-N 3.11Å; M2252-L2256 VanDerWaalsContact O-N 3.13Å; M2252-L2256 HydrophobicContact SD-CD1 4.14Å; S2253-L2256 PolarHBondContact O-N 3.32Å; S2254-L2256 VanDerWaalsContact C-N 3.32Å; S2254-L2256 PolarHBondContact O-N 3.25Å; L2256-S2258 PolarHBondContact O-N 3.27Å; L2256-L2368 HydrophobicContact CD2-CD2 4.4Å; L2256-L2368 HydrophobicContact CD2-CG 4.44Å |
| 2257 | A | 64.7 | Low | 65 | Low | 16.75 Ų | 16.75 | 40.7 Ų | 40.7 | 14% | 0.138 | 23% | 0.234 | C | C | . | . | trans | -79.2 | 109.5 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q2230 S2253 S2254 S2255 V2259 | Q2230-A2257 HydrophobicContact CG-CB 3.84Å; S2253-A2257 WeakPolarHBondContact O-CB 3.28Å; S2253-A2257 PolarHBondContact O-N 3.01Å; S2254-A2257 WeakPolarHBondContact O-CB 3.43Å; S2254-A2257 PolarHBondContact O-N 2.92Å; S2255-A2257 VanDerWaalsContact C-N 3.31Å; A2257-V2259 VanDerWaalsContact C-N 3.28Å; A2257-V2259 HydrophobicContact CB-CG2 4.06Å; A2257-V2259 WeakPolarHBondContact O-CG2 3.48Å; A2257-V2259 PolarHBondContact O-N 3.12Å | ||
| 2258 | S | 57.1 | Low | 66.6 | Low | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | trans | -72.2 | 100.8 | 166.7 | 75.3 | 0 | 0 | 0 | 0 | 108.9 | L2256 D2371 | L2256-S2258 PolarHBondContact O-N 3.27Å; S2258-D2371 WeakPolarHBondContact CB-OD2 3.37Å; S2258-D2371 PolarHBondContact OG-OD2 2.95Å | ||
| 2259 | V | 55.1 | Low | 67.9 | Low | 28.5 Ų | 28.5 | 47.2 Ų | 47.2 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | trans | -124.5 | 115.2 | -179.5 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | N2229 Q2230 A2257 S2261 L2265 | N2229-V2259 HydrophobicContact CB-CG1 3.96Å; Q2230-V2259 HydrophobicContact CG-CG2 4.05Å; A2257-V2259 VanDerWaalsContact C-N 3.28Å; A2257-V2259 HydrophobicContact CB-CG2 4.06Å; A2257-V2259 WeakPolarHBondContact O-CG2 3.48Å; A2257-V2259 PolarHBondContact O-N 3.12Å; V2259-S2261 VanDerWaalsContact C-N 3.31Å; V2259-S2261 WeakPolarHBondContact CG1-O 3.45Å; V2259-S2261 VanDerWaalsContact CG1-OG 3.25Å; V2259-S2261 WeakPolarHBondContact CG1-OG 3.36Å; V2259-S2261 PolarHBondContact O-N 3.4Å; V2259-L2265 HydrophobicContact CB-CD1 3.74Å; V2259-L2265 HydrophobicContact CB-CD2 4.32Å; V2259-L2265 HydrophobicContact CB-CG 4.45Å; V2259-L2265 HydrophobicContact CG1-CD1 3.7Å; V2259-L2265 HydrophobicContact CG1-CD2 3.9Å; V2259-L2265 HydrophobicContact CG1-CG 4.07Å; V2259-L2265 HydrophobicContact CG2-CD1 4.05Å; V2259-L2265 HydrophobicContact CG2-CD2 4.06Å; V2259-L2265 HydrophobicContact CG2-CG 4.43Å | ||
| 2260 | K | 53.3 | Low | 68.7 | Low | 205.5 Ų | 205.5 | 47 Ų | 47 | 89% | 0.893 | 25% | 0.251 | S | S | * | . | trans | -86.4 | 27.2 | 172.2 | -66.2 | -175.8 | 176.1 | -176.7 | 0 | 112.7 | ||||
| 2261 | S | 55.7 | Low | 69.4 | Low | 40.25 Ų | 40.25 | 48.3 Ų | 48.3 | 28% | 0.281 | 26% | 0.257 | S | S | . | . | trans | -104.3 | 136.2 | -177.1 | 67 | 0 | 0 | 0 | 0 | 111.8 | V2259 I2263 | V2259-S2261 VanDerWaalsContact C-N 3.31Å; V2259-S2261 WeakPolarHBondContact CG1-O 3.45Å; V2259-S2261 VanDerWaalsContact CG1-OG 3.25Å; V2259-S2261 WeakPolarHBondContact CG1-OG 3.36Å; V2259-S2261 PolarHBondContact O-N 3.4Å; S2261-I2263 PolarHBondContact O-N 3.09Å; S2261-I2263 VanDerWaalsContact O-N 3.08Å | ||
| 2262 | D | 52.9 | Low | 70.1 | Confident | 170.5 Ų | 170.5 | 51.2 Ų | 51.2 | 91% | 0.912 | 27% | 0.272 | S | S | * | . | trans | -68.2 | 2.6 | 178.4 | -63.6 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 2263 | I | 53.2 | Low | 71 | Confident | 59.25 Ų | 59.25 | 52.5 Ų | 52.5 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -85.6 | 129.9 | -176.6 | -61.9 | 167.6 | 0 | 0 | 0 | 109.5 | N2229 S2261 L2265 | N2229-I2263 WeakPolarHBondContact ND2-CD1 3.33Å; S2261-I2263 PolarHBondContact O-N 3.09Å; S2261-I2263 VanDerWaalsContact O-N 3.08Å; I2263-L2265 PolarHBondContact O-N 2.97Å |
| 2264 | A | 57.7 | Low | 72.1 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | trans | -33.4 | 93.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | L2222 | L2222-A2264 HydrophobicContact CD2-CB 3.74Å; L2222-A2264 VanDerWaalsContact CD2-O 3.31Å; L2222-A2264 WeakPolarHBondContact CD2-O 3.41Å | ||
| 2265 | L | 72.9 | Confident | 73.1 | Confident | 44.75 Ų | 44.75 | 51.9 Ų | 51.9 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | trans | -70.5 | 143.7 | 174.8 | -68.7 | 163.8 | 0 | 0 | 0 | 109.8 | Q2226 V2259 I2263 L2267 R2268 N2269 | Q2226-L2265 HydrophobicContact CG-CD2 3.99Å; V2259-L2265 HydrophobicContact CB-CD1 3.74Å; V2259-L2265 HydrophobicContact CB-CD2 4.32Å; V2259-L2265 HydrophobicContact CB-CG 4.45Å; V2259-L2265 HydrophobicContact CG1-CD1 3.7Å; V2259-L2265 HydrophobicContact CG1-CD2 3.9Å; V2259-L2265 HydrophobicContact CG1-CG 4.07Å; V2259-L2265 HydrophobicContact CG2-CD1 4.05Å; V2259-L2265 HydrophobicContact CG2-CD2 4.06Å; V2259-L2265 HydrophobicContact CG2-CG 4.43Å; I2263-L2265 PolarHBondContact O-N 2.97Å; L2265-L2267 VanDerWaalsContact C-N 3.28Å; L2265-L2267 PolarHBondContact O-N 3.12Å; L2265-R2268 HydrophobicContact CB-CB 4.03Å; L2265-R2268 CarbonylContact O-C 3.56Å; L2265-R2268 WeakPolarHBondContact O-CA 3.37Å; L2265-R2268 WeakPolarHBondContact O-CB 3.25Å; L2265-R2268 PolarHBondContact O-N 3.01Å; L2265-R2268 VanDerWaalsContact O-N 3.08Å; L2265-N2269 PolarHBondContact O-N 2.99Å | ||
| 2266 | P | 81 | Confident | 74.1 | Confident | 0.25 Ų | 0.25 | 55.3 Ų | 55.3 | 0% | 0.002 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.1 | -42.5 | 173.9 | -5.4 | 4.4 | 0 | 0 | 0 | 111.8 | M2219 L2222 L2223 Q2226 S2254 R2268 N2269 V2270 | M2219-P2266 HydrophobicContact CE-CB 3.37Å; M2219-P2266 VanDerWaalsContact CE-CB 3.43Å; M2219-P2266 HydrophobicContact SD-CB 3.76Å; M2219-P2266 VanDerWaalsContact SD-CB 3.59Å; L2222-P2266 HydrophobicContact CB-CB 4.28Å; L2222-P2266 HydrophobicContact CB-CG 4.05Å; L2223-P2266 HydrophobicContact CD2-CB 3.99Å; L2223-P2266 HydrophobicContact CD2-CG 3.86Å; L2223-P2266 HydrophobicContact CG-CB 4.31Å; L2223-P2266 HydrophobicContact CG-CG 4.18Å; Q2226-P2266 HydrophobicContact CB-CG 4.16Å; Q2226-P2266 HydrophobicContact CG-CG 4.31Å; Q2226-P2266 VanDerWaalsContact OE1-CD 3.28Å; S2254-P2266 WeakPolarHBondContact OG-CG 3.37Å; P2266-R2268 VanDerWaalsContact C-N 3.35Å; P2266-R2268 PolarHBondContact O-N 3.31Å; P2266-N2269 WeakPolarHBondContact O-CB 3.37Å; P2266-N2269 PolarHBondContact O-N 3.13Å; P2266-V2270 WeakPolarHBondContact O-CG2 3.35Å; P2266-V2270 PolarHBondContact O-N 3.42Å; P2266-V2270 VanDerWaalsContact O-N 3.11Å |
| 2267 | L | 82.5 | Confident | 75.5 | Confident | 15.25 Ų | 15.25 | 53.4 Ų | 53.4 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.7 | -171.8 | 67 | 0 | 0 | 0 | 112.1 | L2251 S2254 L2265 N2269 V2270 I2271 V2376 P2377 L2379 L2382 | L2251-L2267 HydrophobicContact CD1-CD1 3.95Å; L2251-L2267 HydrophobicContact CG-CD1 4.44Å; S2254-L2267 WeakPolarHBondContact OG-CB 3.47Å; L2265-L2267 VanDerWaalsContact C-N 3.28Å; L2265-L2267 PolarHBondContact O-N 3.12Å; L2267-N2269 VanDerWaalsContact C-N 3.33Å; L2267-N2269 PolarHBondContact O-N 3.44Å; L2267-V2270 PolarHBondContact O-N 3.21Å; L2267-I2271 HydrophobicContact CD1-CD1 4.38Å; L2267-I2271 HydrophobicContact CD2-CD1 4.46Å; L2267-I2271 HydrophobicContact CG-CD1 4.02Å; L2267-I2271 WeakPolarHBondContact O-CD1 3.41Å; L2267-I2271 VanDerWaalsContact O-CG1 3.24Å; L2267-I2271 WeakPolarHBondContact O-CG1 3.3Å; L2267-I2271 PolarHBondContact O-N 3.16Å; L2267-V2376 HydrophobicContact CD2-CG1 4.23Å; L2267-P2377 HydrophobicContact CD1-CG 4.47Å; L2267-P2377 HydrophobicContact CD2-CG 4.07Å; L2267-P2377 HydrophobicContact CG-CG 4.35Å; L2267-L2379 HydrophobicContact CD1-CD2 3.78Å; L2267-L2382 HydrophobicContact CD1-CD2 3.44Å; L2267-L2382 VanDerWaalsContact CD1-CD2 3.47Å; L2267-L2382 HydrophobicContact CG-CD2 4.36Å |
| 2268 | R | 84 | Confident | 76.9 | Confident | 144.5 Ų | 144.5 | 52.8 Ų | 52.8 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 178.6 | -172.7 | 82.4 | -177 | -152.3 | -2.9 | 112 | L2265 P2266 I2271 N2272 | L2265-R2268 HydrophobicContact CB-CB 4.03Å; L2265-R2268 CarbonylContact O-C 3.56Å; L2265-R2268 WeakPolarHBondContact O-CA 3.37Å; L2265-R2268 WeakPolarHBondContact O-CB 3.25Å; L2265-R2268 PolarHBondContact O-N 3.01Å; L2265-R2268 VanDerWaalsContact O-N 3.08Å; P2266-R2268 VanDerWaalsContact C-N 3.35Å; P2266-R2268 PolarHBondContact O-N 3.31Å; R2268-I2271 PolarHBondContact O-N 3.15Å; R2268-N2272 WeakPolarHBondContact CD-OD1 3.34Å; R2268-N2272 PolarHBondContact NE-OD1 3.41Å; R2268-N2272 VanDerWaalsContact O-CB 3.29Å; R2268-N2272 WeakPolarHBondContact O-CB 3.32Å; R2268-N2272 PolarHBondContact O-N 3.31Å; R2268-N2272 PolarHBondContact O-ND2 3.26Å; R2268-N2272 PolarHBondContact O-OD1 3.21Å |
| 2269 | N | 85.9 | Confident | 78.6 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 174.1 | -175 | 39.2 | 0 | 0 | 0 | 111.2 | L2222 L2265 P2266 L2267 N2272 Q2273 | L2222-N2269 HydrophobicContact CD1-CB 4.11Å; L2222-N2269 WeakPolarHBondContact CD1-ND2 3.1Å; L2265-N2269 PolarHBondContact O-N 2.99Å; P2266-N2269 WeakPolarHBondContact O-CB 3.37Å; P2266-N2269 PolarHBondContact O-N 3.13Å; L2267-N2269 VanDerWaalsContact C-N 3.33Å; L2267-N2269 PolarHBondContact O-N 3.44Å; N2269-N2272 PolarHBondContact O-N 3.16Å; N2269-Q2273 PolarHBondContact ND2-NE2 2.87Å; N2269-Q2273 WeakPolarHBondContact O-CB 3.42Å; N2269-Q2273 VanDerWaalsContact O-CG 3.3Å; N2269-Q2273 WeakPolarHBondContact O-CG 3.35Å; N2269-Q2273 PolarHBondContact O-N 3.05Å; N2269-Q2273 PolarHBondContact OD1-NE2 3.24Å; N2269-Q2273 VanDerWaalsContact OD1-NE2 3.11Å |
| 2270 | V | 89 | Confident | 80.4 | Confident | 1.75 Ų | 1.75 | 57.1 Ų | 57.1 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | M2219 P2266 L2267 N2272 Q2273 T2274 L2307 M2311 L2382 | M2219-V2270 HydrophobicContact CE-CG2 3.76Å; M2219-V2270 HydrophobicContact SD-CG2 4.42Å; P2266-V2270 WeakPolarHBondContact O-CG2 3.35Å; P2266-V2270 PolarHBondContact O-N 3.42Å; P2266-V2270 VanDerWaalsContact O-N 3.11Å; L2267-V2270 PolarHBondContact O-N 3.21Å; V2270-N2272 VanDerWaalsContact C-N 3.34Å; V2270-N2272 PolarHBondContact O-N 3.07Å; V2270-Q2273 PolarHBondContact O-N 3.18Å; V2270-T2274 HydrophobicContact CG1-CG2 4.2Å; V2270-T2274 VanDerWaalsContact O-CB 3.28Å; V2270-T2274 WeakPolarHBondContact O-CB 3.27Å; V2270-T2274 WeakPolarHBondContact O-CG2 3.19Å; V2270-T2274 PolarHBondContact O-N 2.99Å; V2270-T2274 PolarHBondContact O-OG1 3.37Å; V2270-T2274 VanDerWaalsContact O-OG1 3.04Å; V2270-L2307 HydrophobicContact CG1-CD1 4.1Å; V2270-M2311 HydrophobicContact CB-SD 4.42Å; V2270-M2311 HydrophobicContact CG1-CG 4.39Å; V2270-M2311 HydrophobicContact CG1-SD 3.51Å; V2270-M2311 WeakPolarHBondContact CG1-SD 3.41Å; V2270-M2311 HydrophobicContact CG2-SD 4.11Å; V2270-L2382 HydrophobicContact CG1-CD1 4.28Å; V2270-L2382 HydrophobicContact CG1-CD2 4.13Å; V2270-L2382 HydrophobicContact CG1-CG 4.32Å |
| 2271 | I | 88.9 | Confident | 82.2 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 23% | 0.226 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.4 | -65.9 | 161.7 | 0 | 0 | 0 | 111 | L2267 R2268 T2274 S2275 P2377 L2382 | L2267-I2271 HydrophobicContact CD1-CD1 4.38Å; L2267-I2271 HydrophobicContact CD2-CD1 4.46Å; L2267-I2271 HydrophobicContact CG-CD1 4.02Å; L2267-I2271 WeakPolarHBondContact O-CD1 3.41Å; L2267-I2271 VanDerWaalsContact O-CG1 3.24Å; L2267-I2271 WeakPolarHBondContact O-CG1 3.3Å; L2267-I2271 PolarHBondContact O-N 3.16Å; R2268-I2271 PolarHBondContact O-N 3.15Å; I2271-T2274 WeakPolarHBondContact CA-OG1 3.12Å; I2271-T2274 PolarHBondContact O-N 3.32Å; I2271-T2274 PolarHBondContact O-OG1 2.8Å; I2271-S2275 VanDerWaalsContact O-CB 3.26Å; I2271-S2275 WeakPolarHBondContact O-CB 3.34Å; I2271-S2275 PolarHBondContact O-N 3.25Å; I2271-S2275 PolarHBondContact O-OG 3.36Å; I2271-P2377 HydrophobicContact CD1-CB 4.38Å; I2271-P2377 HydrophobicContact CD1-CG 3.66Å; I2271-P2377 HydrophobicContact CG1-CG 4.27Å; I2271-L2382 HydrophobicContact CB-CD1 4.43Å; I2271-L2382 HydrophobicContact CG1-CD1 3.77Å; I2271-L2382 HydrophobicContact CG1-CD2 3.94Å; I2271-L2382 HydrophobicContact CG1-CG 4.43Å |
| 2272 | N | 89.4 | Confident | 83.8 | Confident | 62.75 Ų | 62.75 | 47.6 Ų | 47.6 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.6 | -51.6 | -178.4 | -70.8 | -10.3 | 0 | 0 | 0 | 110.2 | R2268 N2269 V2270 T2274 S2275 D2276 | R2268-N2272 WeakPolarHBondContact CD-OD1 3.34Å; R2268-N2272 PolarHBondContact NE-OD1 3.41Å; R2268-N2272 VanDerWaalsContact O-CB 3.29Å; R2268-N2272 WeakPolarHBondContact O-CB 3.32Å; R2268-N2272 PolarHBondContact O-N 3.31Å; R2268-N2272 PolarHBondContact O-ND2 3.26Å; R2268-N2272 PolarHBondContact O-OD1 3.21Å; N2269-N2272 PolarHBondContact O-N 3.16Å; V2270-N2272 VanDerWaalsContact C-N 3.34Å; V2270-N2272 PolarHBondContact O-N 3.07Å; N2272-T2274 VanDerWaalsContact C-N 3.33Å; N2272-T2274 PolarHBondContact O-N 3.22Å; N2272-S2275 PolarHBondContact O-N 3.19Å; N2272-S2275 VanDerWaalsContact O-N 3.12Å; N2272-S2275 PolarHBondContact O-OG 3.13Å; N2272-S2275 VanDerWaalsContact O-OG 3.05Å; N2272-D2276 WeakPolarHBondContact O-CB 3.45Å; N2272-D2276 PolarHBondContact O-N 3.09Å |
| 2273 | Q | 90.5 | Very high | 85.6 | Confident | 37.75 Ų | 37.75 | 46.3 Ų | 46.3 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 178.3 | -72.4 | -177.9 | 7.6 | 0 | 0 | 112.5 | N2269 V2270 S2275 D2276 I2277 L2307 | N2269-Q2273 PolarHBondContact ND2-NE2 2.87Å; N2269-Q2273 WeakPolarHBondContact O-CB 3.42Å; N2269-Q2273 VanDerWaalsContact O-CG 3.3Å; N2269-Q2273 WeakPolarHBondContact O-CG 3.35Å; N2269-Q2273 PolarHBondContact O-N 3.05Å; N2269-Q2273 PolarHBondContact OD1-NE2 3.24Å; N2269-Q2273 VanDerWaalsContact OD1-NE2 3.11Å; V2270-Q2273 PolarHBondContact O-N 3.18Å; Q2273-S2275 VanDerWaalsContact C-N 3.35Å; Q2273-S2275 PolarHBondContact O-N 2.91Å; Q2273-D2276 PolarHBondContact O-N 2.84Å; Q2273-I2277 WeakPolarHBondContact O-CB 3.47Å; Q2273-I2277 WeakPolarHBondContact O-CD1 3.17Å; Q2273-I2277 VanDerWaalsContact O-CG1 3.27Å; Q2273-I2277 WeakPolarHBondContact O-CG1 3.38Å; Q2273-I2277 PolarHBondContact O-N 3.19Å; Q2273-I2277 VanDerWaalsContact O-N 3.1Å; Q2273-L2307 HydrophobicContact CB-CD1 4.18Å |
| 2274 | T | 92.9 | Very high | 87.2 | Confident | 0.25 Ų | 0.25 | 45.2 Ų | 45.2 | 0% | 0.002 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 177 | -43.6 | 0 | 0 | 0 | 0 | 111.1 | V2270 I2271 N2272 D2276 I2277 L2278 L2307 L2382 E2385 S2386 A2389 | V2270-T2274 HydrophobicContact CG1-CG2 4.2Å; V2270-T2274 VanDerWaalsContact O-CB 3.28Å; V2270-T2274 WeakPolarHBondContact O-CB 3.27Å; V2270-T2274 WeakPolarHBondContact O-CG2 3.19Å; V2270-T2274 PolarHBondContact O-N 2.99Å; V2270-T2274 PolarHBondContact O-OG1 3.37Å; V2270-T2274 VanDerWaalsContact O-OG1 3.04Å; I2271-T2274 WeakPolarHBondContact CA-OG1 3.12Å; I2271-T2274 PolarHBondContact O-N 3.32Å; I2271-T2274 PolarHBondContact O-OG1 2.8Å; N2272-T2274 VanDerWaalsContact C-N 3.33Å; N2272-T2274 PolarHBondContact O-N 3.22Å; T2274-D2276 VanDerWaalsContact C-N 3.34Å; T2274-D2276 PolarHBondContact O-N 3.18Å; T2274-I2277 PolarHBondContact O-N 3.25Å; T2274-L2278 HydrophobicContact CG2-CD1 3.98Å; T2274-L2278 WeakPolarHBondContact O-CG 3.31Å; T2274-L2278 PolarHBondContact O-N 2.91Å; T2274-L2307 HydrophobicContact CG2-CD1 3.71Å; T2274-L2307 HydrophobicContact CG2-CD2 3.72Å; T2274-L2307 HydrophobicContact CG2-CG 4.34Å; T2274-L2307 WeakPolarHBondContact OG1-CD2 3.29Å; T2274-L2382 HydrophobicContact CG2-CD1 4.35Å; T2274-E2385 VanDerWaalsContact CG2-C 3.48Å; T2274-E2385 HydrophobicContact CG2-CB 3.71Å; T2274-S2386 VanDerWaalsContact CG2-CB 3.41Å; T2274-S2386 WeakPolarHBondContact OG1-CB 3.25Å; T2274-S2386 PolarHBondContact OG1-OG 2.97Å; T2274-A2389 HydrophobicContact CG2-CB 4.14Å |
| 2275 | S | 92.3 | Very high | 88.3 | Confident | 20.25 Ų | 20.25 | 50.1 Ų | 50.1 | 14% | 0.142 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | -178.5 | 80.9 | 0 | 0 | 0 | 0 | 112.5 | I2271 N2272 Q2273 L2278 K2279 | I2271-S2275 VanDerWaalsContact O-CB 3.26Å; I2271-S2275 WeakPolarHBondContact O-CB 3.34Å; I2271-S2275 PolarHBondContact O-N 3.25Å; I2271-S2275 PolarHBondContact O-OG 3.36Å; N2272-S2275 PolarHBondContact O-N 3.19Å; N2272-S2275 VanDerWaalsContact O-N 3.12Å; N2272-S2275 PolarHBondContact O-OG 3.13Å; N2272-S2275 VanDerWaalsContact O-OG 3.05Å; Q2273-S2275 VanDerWaalsContact C-N 3.35Å; Q2273-S2275 PolarHBondContact O-N 2.91Å; S2275-L2278 PolarHBondContact O-N 2.94Å; S2275-K2279 VanDerWaalsContact O-CB 3.3Å; S2275-K2279 WeakPolarHBondContact O-CB 3.41Å; S2275-K2279 WeakPolarHBondContact O-CD 3.29Å; S2275-K2279 WeakPolarHBondContact O-CG 3.31Å; S2275-K2279 PolarHBondContact O-N 2.99Å |
| 2276 | D | 92.6 | Very high | 88.8 | Confident | 89.75 Ų | 89.75 | 54.8 Ų | 54.8 | 48% | 0.48 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 179.7 | -67.5 | -18.3 | 0 | 0 | 0 | 110.5 | N2272 Q2273 T2274 T2280 | N2272-D2276 WeakPolarHBondContact O-CB 3.45Å; N2272-D2276 PolarHBondContact O-N 3.09Å; Q2273-D2276 PolarHBondContact O-N 2.84Å; T2274-D2276 VanDerWaalsContact C-N 3.34Å; T2274-D2276 PolarHBondContact O-N 3.18Å; D2276-T2280 WeakPolarHBondContact O-CB 3.33Å; D2276-T2280 VanDerWaalsContact O-CG2 3.24Å; D2276-T2280 WeakPolarHBondContact O-CG2 3.38Å; D2276-T2280 PolarHBondContact O-N 3.29Å; D2276-T2280 VanDerWaalsContact O-N 3.1Å; D2276-T2280 PolarHBondContact O-OG1 3.28Å |
| 2277 | I | 94.1 | Very high | 88.8 | Confident | 5.25 Ų | 5.25 | 56.1 Ų | 56.1 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.3 | -66.5 | 168.8 | 0 | 0 | 0 | 111 | Q2273 T2274 T2280 L2281 M2300 L2303 L2307 A2389 S2393 | Q2273-I2277 WeakPolarHBondContact O-CB 3.47Å; Q2273-I2277 WeakPolarHBondContact O-CD1 3.17Å; Q2273-I2277 VanDerWaalsContact O-CG1 3.27Å; Q2273-I2277 WeakPolarHBondContact O-CG1 3.38Å; Q2273-I2277 PolarHBondContact O-N 3.19Å; Q2273-I2277 VanDerWaalsContact O-N 3.1Å; T2274-I2277 PolarHBondContact O-N 3.25Å; I2277-T2280 WeakPolarHBondContact CA-OG1 3.4Å; I2277-T2280 PolarHBondContact O-OG1 3.17Å; I2277-L2281 HydrophobicContact CG2-CD1 3.85Å; I2277-L2281 HydrophobicContact CG2-CG 4.47Å; I2277-L2281 WeakPolarHBondContact O-CB 3.36Å; I2277-L2281 WeakPolarHBondContact O-CD1 3.36Å; I2277-L2281 VanDerWaalsContact O-CG 3.24Å; I2277-L2281 WeakPolarHBondContact O-CG 3.38Å; I2277-L2281 PolarHBondContact O-N 3.26Å; I2277-M2300 HydrophobicContact CB-SD 4.16Å; I2277-M2300 HydrophobicContact CG1-SD 3.95Å; I2277-M2300 HydrophobicContact CG2-SD 3.83Å; I2277-L2303 HydrophobicContact CD1-CB 4.24Å; I2277-L2303 HydrophobicContact CG1-CB 4.48Å; I2277-L2307 HydrophobicContact CD1-CB 4.43Å; I2277-L2307 HydrophobicContact CD1-CD2 3.93Å; I2277-A2389 HydrophobicContact CB-CB 4.21Å; I2277-A2389 HydrophobicContact CG2-CB 3.83Å; I2277-S2393 WeakPolarHBondContact CG2-OG 3.41Å |
| 2278 | L | 93.9 | Very high | 88.8 | Confident | 4.25 Ų | 4.25 | 55.7 Ų | 55.7 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | -178.9 | -70.9 | 173.6 | 0 | 0 | 0 | 112.8 | T2274 S2275 L2281 A2282 E2385 A2388 A2389 L2392 L2603 | T2274-L2278 HydrophobicContact CG2-CD1 3.98Å; T2274-L2278 WeakPolarHBondContact O-CG 3.31Å; T2274-L2278 PolarHBondContact O-N 2.91Å; S2275-L2278 PolarHBondContact O-N 2.94Å; L2278-L2281 PolarHBondContact O-N 3.17Å; L2278-A2282 WeakPolarHBondContact O-CB 3.39Å; L2278-A2282 PolarHBondContact O-N 3.02Å; L2278-E2385 HydrophobicContact CD1-CB 4.03Å; L2278-E2385 HydrophobicContact CD1-CG 4.23Å; L2278-A2388 HydrophobicContact CD2-CB 4.43Å; L2278-A2389 HydrophobicContact CD1-CB 4.43Å; L2278-A2389 HydrophobicContact CD2-CB 3.89Å; L2278-A2389 HydrophobicContact CG-CB 3.85Å; L2278-L2392 HydrophobicContact CD2-CD1 4.48Å; L2278-L2603 HydrophobicContact CB-CB 4.07Å; L2278-L2603 HydrophobicContact CB-CD1 4.4Å; L2278-L2603 HydrophobicContact CD1-CB 3.83Å; L2278-L2603 HydrophobicContact CD1-CD1 4.14Å |
| 2279 | K | 93.3 | Very high | 88.5 | Confident | 105.25 Ų | 105.25 | 52.6 Ų | 52.6 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 176.4 | -74.6 | 168.8 | -172.3 | 163.9 | 0 | 111.2 | S2275 L2281 A2282 E2283 L2603 | S2275-K2279 VanDerWaalsContact O-CB 3.3Å; S2275-K2279 WeakPolarHBondContact O-CB 3.41Å; S2275-K2279 WeakPolarHBondContact O-CD 3.29Å; S2275-K2279 WeakPolarHBondContact O-CG 3.31Å; S2275-K2279 PolarHBondContact O-N 2.99Å; K2279-L2281 VanDerWaalsContact C-N 3.3Å; K2279-L2281 PolarHBondContact O-N 3.19Å; K2279-A2282 WeakPolarHBondContact O-CB 3.44Å; K2279-A2282 PolarHBondContact O-N 3.26Å; K2279-A2282 VanDerWaalsContact O-N 3.11Å; K2279-E2283 WeakPolarHBondContact O-CG 3.35Å; K2279-E2283 PolarHBondContact O-N 3.05Å; K2279-E2283 VanDerWaalsContact O-N 3.11Å; K2279-L2603 HydrophobicContact CG-CD2 3.8Å |
| 2280 | T | 91.5 | Very high | 87.9 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 178 | 49.7 | 0 | 0 | 0 | 0 | 112 | D2276 I2277 E2283 M2300 | D2276-T2280 WeakPolarHBondContact O-CB 3.33Å; D2276-T2280 VanDerWaalsContact O-CG2 3.24Å; D2276-T2280 WeakPolarHBondContact O-CG2 3.38Å; D2276-T2280 PolarHBondContact O-N 3.29Å; D2276-T2280 VanDerWaalsContact O-N 3.1Å; D2276-T2280 PolarHBondContact O-OG1 3.28Å; I2277-T2280 WeakPolarHBondContact CA-OG1 3.4Å; I2277-T2280 PolarHBondContact O-OG1 3.17Å; T2280-E2283 PolarHBondContact O-N 2.93Å; T2280-M2300 HydrophobicContact CG2-CE 4.2Å; T2280-M2300 WeakPolarHBondContact OG1-CE 3.14Å |
| 2281 | L | 91.4 | Very high | 87 | Confident | 6.5 Ų | 6.5 | 64.4 Ų | 64.4 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 171.5 | -73.5 | 169 | 0 | 0 | 0 | 111.9 | I2277 L2278 K2279 E2283 L2284 M2300 L2392 T2396 M2610 | I2277-L2281 HydrophobicContact CG2-CD1 3.85Å; I2277-L2281 HydrophobicContact CG2-CG 4.47Å; I2277-L2281 WeakPolarHBondContact O-CB 3.36Å; I2277-L2281 WeakPolarHBondContact O-CD1 3.36Å; I2277-L2281 VanDerWaalsContact O-CG 3.24Å; I2277-L2281 WeakPolarHBondContact O-CG 3.38Å; I2277-L2281 PolarHBondContact O-N 3.26Å; L2278-L2281 PolarHBondContact O-N 3.17Å; K2279-L2281 VanDerWaalsContact C-N 3.3Å; K2279-L2281 PolarHBondContact O-N 3.19Å; L2281-E2283 VanDerWaalsContact C-N 3.29Å; L2281-E2283 PolarHBondContact O-N 3.16Å; L2281-E2283 VanDerWaalsContact O-N 3.09Å; L2281-L2284 HydrophobicContact CD2-CD1 4.16Å; L2281-L2284 VanDerWaalsContact O-CB 3.3Å; L2281-L2284 WeakPolarHBondContact O-CB 3.32Å; L2281-L2284 WeakPolarHBondContact O-CG 3.4Å; L2281-L2284 PolarHBondContact O-N 2.87Å; L2281-M2300 HydrophobicContact CD1-CE 4.46Å; L2281-M2300 HydrophobicContact CD2-CE 3.39Å; L2281-M2300 HydrophobicContact CG-CE 3.48Å; L2281-M2300 VanDerWaalsContact CG-CE 3.48Å; L2281-L2392 HydrophobicContact CD1-CB 3.63Å; L2281-L2392 HydrophobicContact CD1-CD1 4.43Å; L2281-T2396 HydrophobicContact CD2-CG2 3.71Å; L2281-M2610 HydrophobicContact CB-CE 4.14Å; L2281-M2610 WeakPolarHBondContact O-CE 3.32Å |
| 2282 | A | 90.1 | Very high | 86.4 | Confident | 38.75 Ų | 38.75 | 68.8 Ų | 68.8 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -25.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L2278 K2279 L2284 | L2278-A2282 WeakPolarHBondContact O-CB 3.39Å; L2278-A2282 PolarHBondContact O-N 3.02Å; K2279-A2282 WeakPolarHBondContact O-CB 3.44Å; K2279-A2282 PolarHBondContact O-N 3.26Å; K2279-A2282 VanDerWaalsContact O-N 3.11Å; A2282-L2284 VanDerWaalsContact C-N 3.34Å; A2282-L2284 PolarHBondContact O-N 3.37Å |
| 2283 | E | 89.8 | Confident | 85.8 | Confident | 144 Ų | 144 | 68.6 Ų | 68.6 | 67% | 0.673 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73.5 | -19.6 | 175.8 | -73.7 | 172.9 | -172.8 | 0 | 0 | 113.5 | K2279 T2280 L2281 Q2285 | K2279-E2283 WeakPolarHBondContact O-CG 3.35Å; K2279-E2283 PolarHBondContact O-N 3.05Å; K2279-E2283 VanDerWaalsContact O-N 3.11Å; T2280-E2283 PolarHBondContact O-N 2.93Å; L2281-E2283 VanDerWaalsContact C-N 3.29Å; L2281-E2283 PolarHBondContact O-N 3.16Å; L2281-E2283 VanDerWaalsContact O-N 3.09Å; E2283-Q2285 PolarHBondContact O-N 3.03Å |
| 2284 | L | 86.4 | Confident | 85.4 | Confident | 36.25 Ų | 36.25 | 69.9 Ų | 69.9 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | trans | -68.5 | 101.7 | 179.1 | -62.8 | 173.5 | 0 | 0 | 0 | 111.4 | L2281 A2282 K2286 M2297 T2396 M2610 W2614 | L2281-L2284 HydrophobicContact CD2-CD1 4.16Å; L2281-L2284 VanDerWaalsContact O-CB 3.3Å; L2281-L2284 WeakPolarHBondContact O-CB 3.32Å; L2281-L2284 WeakPolarHBondContact O-CG 3.4Å; L2281-L2284 PolarHBondContact O-N 2.87Å; A2282-L2284 VanDerWaalsContact C-N 3.34Å; A2282-L2284 PolarHBondContact O-N 3.37Å; L2284-K2286 VanDerWaalsContact C-N 3.26Å; L2284-K2286 PolarHBondContact O-N 3.42Å; L2284-M2297 HydrophobicContact CD1-CE 4.23Å; L2284-M2297 HydrophobicContact CD1-SD 4.46Å; L2284-M2297 HydrophobicContact CD2-CE 4.24Å; L2284-T2396 HydrophobicContact CD1-CG2 3.85Å; L2284-M2610 HydrophobicContact CB-SD 4.24Å; L2284-M2610 VanDerWaalsContact O-CG 3.24Å; L2284-M2610 WeakPolarHBondContact O-CG 3.4Å; L2284-W2614 HydrophobicContact CB-CZ2 3.73Å; L2284-W2614 HydrophobicContact CD1-CH2 4.38Å; L2284-W2614 HydrophobicContact CD1-CZ2 4.05Å; L2284-W2614 HydrophobicContact CG-CZ2 4.48Å; L2284-W2614 PolarHBondContact O-NE1 3.25Å | ||
| 2285 | Q | 82.1 | Confident | 85 | Confident | 155 Ų | 155 | 73.9 Ų | 73.9 | 72% | 0.724 | 37% | 0.367 | S | S | * | . | trans | -72.6 | -30.1 | -178.3 | -64.7 | -150.5 | -3.6 | 0 | 0 | 114 | E2283 | E2283-Q2285 PolarHBondContact O-N 3.03Š| ||
| 2286 | K | 82.3 | Confident | 84.7 | Confident | 143.25 Ų | 143.25 | 78.1 Ų | 78.1 | 62% | 0.623 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -127.8 | 152.7 | -179 | -69.2 | -174.8 | -179.7 | -177.1 | 0 | 109.7 | L2284 W2614 | L2284-K2286 VanDerWaalsContact C-N 3.26Å; L2284-K2286 PolarHBondContact O-N 3.42Å; K2286-W2614 PolarHBondContact O-NE1 3.24Å |
| 2287 | P | 82.7 | Confident | 84.4 | Confident | 27.75 Ų | 27.75 | 74.1 Ų | 74.1 | 18% | 0.18 | 36% | 0.363 | C | S | . | . | trans | -60.8 | 134 | 174.8 | 25.3 | -33.6 | 0 | 0 | 0 | 110.1 | K2289 L2399 W2614 L2618 | P2287-K2289 PolarHBondContact O-N 2.78Å; P2287-L2399 HydrophobicContact CB-CD2 4.21Å; P2287-W2614 HydrophobicContact CB-CD2 4.08Å; P2287-W2614 HydrophobicContact CB-CE3 4.07Å; P2287-W2614 HydrophobicContact CB-CG 4.44Å; P2287-W2614 HydrophobicContact CB-CZ3 4.45Å; P2287-L2618 HydrophobicContact CG-CD1 4.37Å; P2287-L2618 HydrophobicContact CG-CD2 3.98Å; P2287-L2618 HydrophobicContact CG-CG 4.1Å | ||
| 2288 | P | 81.7 | Confident | 84.2 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 5% | 0.045 | 38% | 0.383 | C | S | . | . | trans | -63.1 | 136.3 | -176.4 | 25.5 | -34.2 | 0 | 0 | 0 | 111.1 | H2293 M2297 T2396 C2400 | P2288-H2293 HydrophobicContact CB-CB 4.26Å; P2288-M2297 HydrophobicContact CB-CG 4.19Å; P2288-M2297 HydrophobicContact CB-SD 4.16Å; P2288-M2297 HydrophobicContact CG-CG 4.44Å; P2288-M2297 HydrophobicContact CG-SD 4.1Å; P2288-T2396 HydrophobicContact CG-CG2 3.86Å; P2288-C2400 HydrophobicContact CB-CB 4.2Å; P2288-C2400 HydrophobicContact CG-CB 4.13Å | ||
| 2289 | K | 77.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 83.1 Ų | 83.1 | 34% | 0.343 | 40% | 0.402 | S | S | . | . | trans | -100.9 | 147.1 | 174.6 | -63.8 | -177.4 | -174 | 175.6 | 0 | 110 | P2287 Q2291 E2292 H2293 E2621 | P2287-K2289 PolarHBondContact O-N 2.78Å; K2289-Q2291 VanDerWaalsContact C-N 3.28Å; K2289-Q2291 PolarHBondContact O-N 3.18Å; K2289-Q2291 VanDerWaalsContact O-N 3.12Å; K2289-E2292 IonicContact NZ-OE1 3.28Å; K2289-E2292 IonicContact NZ-OE2 3.45Å; K2289-E2292 PolarHBondContact O-N 3.14Å; K2289-E2292 VanDerWaalsContact O-N 3.16Å; K2289-H2293 PolarHBondContact O-N 3.15Å; K2289-E2621 IonicContact NZ-OE1 3.33Å; K2289-E2621 PolarHBondContact NZ-OE1 3.47Å; K2289-E2621 VanDerWaalsContact NZ-OE1 3.14Å; K2289-E2621 IonicContact NZ-OE2 2.84Å | ||
| 2290 | Y | 73.1 | Confident | 83.7 | Confident | 123.75 Ų | 123.75 | 79 Ų | 79 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.6 | 46.8 | 179.1 | -173.5 | -102.3 | 0 | 0 | 0 | 112.6 | E2292 L2294 C2400 Y2402 | Y2290-E2292 VanDerWaalsContact C-N 3.27Å; Y2290-E2292 PolarHBondContact O-N 3.41Å; Y2290-E2292 VanDerWaalsContact O-N 3.09Å; Y2290-L2294 HydrophobicContact CD2-CD1 4.28Å; Y2290-L2294 HydrophobicContact CE1-CD2 4.47Å; Y2290-L2294 HydrophobicContact CE2-CD1 4.07Å; Y2290-L2294 HydrophobicContact CE2-CD2 3.93Å; Y2290-L2294 HydrophobicContact CE2-CG 4.49Å; Y2290-L2294 WeakPolarHBondContact O-CB 3.46Å; Y2290-C2400 WeakPolarHBondContact CA-O 3.41Å; Y2290-C2400 WeakPolarHBondContact CB-O 3.27Å; Y2290-C2400 WeakPolarHBondContact CD2-O 3.24Å; Y2290-Y2402 HydrophobicContact CG-CE2 4.12Å; Y2290-Y2402 PolarHBondContact N-OH 3.25Å |
| 2291 | Q | 70.9 | Confident | 83.7 | Confident | 167.5 Ų | 167.5 | 77.7 Ų | 77.7 | 78% | 0.783 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -4.4 | -30.7 | -175 | -64.9 | 175.4 | -11.7 | 0 | 0 | 115.8 | K2289 | K2289-Q2291 VanDerWaalsContact C-N 3.28Å; K2289-Q2291 PolarHBondContact O-N 3.18Å; K2289-Q2291 VanDerWaalsContact O-N 3.12Å |
| 2292 | E | 75.1 | Confident | 83.7 | Confident | 136.25 Ų | 136.25 | 77.9 Ų | 77.9 | 64% | 0.637 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -84.3 | -37 | -172.9 | -69.6 | 177.1 | 174.4 | 0 | 0 | 112.6 | K2289 Y2290 | K2289-E2292 IonicContact NZ-OE1 3.28Å; K2289-E2292 IonicContact NZ-OE2 3.45Å; K2289-E2292 PolarHBondContact O-N 3.14Å; K2289-E2292 VanDerWaalsContact O-N 3.16Å; Y2290-E2292 VanDerWaalsContact C-N 3.27Å; Y2290-E2292 PolarHBondContact O-N 3.41Å; Y2290-E2292 VanDerWaalsContact O-N 3.09Å |
| 2293 | H | 77.3 | Confident | 83.8 | Confident | 57.5 Ų | 57.5 | 78.9 Ų | 78.9 | 27% | 0.266 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -126.4 | 14.8 | -167.2 | -64.5 | -72.8 | 0 | 0 | 0 | 115 | P2288 K2289 S2295 E2296 M2297 | P2288-H2293 HydrophobicContact CB-CB 4.26Å; K2289-H2293 PolarHBondContact O-N 3.15Å; H2293-S2295 VanDerWaalsContact C-N 3.27Å; H2293-S2295 PolarHBondContact O-N 3.05Å; H2293-S2295 VanDerWaalsContact O-N 3.17Å; H2293-E2296 IonicContact CE1-OE2 3.43Å; H2293-E2296 IonicContact CG-OE2 3.4Å; H2293-E2296 IonicContact ND1-OE2 3Å; H2293-E2296 PolarHBondContact ND1-OE2 3.01Å; H2293-E2296 PolarHBondContact O-N 3.24Å; H2293-M2297 HydrophobicContact CB-CE 4.32Å; H2293-M2297 HydrophobicContact CB-CG 4.06Å; H2293-M2297 WeakPolarHBondContact O-CB 3.37Å; H2293-M2297 VanDerWaalsContact O-CG 3.24Å; H2293-M2297 WeakPolarHBondContact O-CG 3.36Å; H2293-M2297 PolarHBondContact O-N 3.28Å |
| 2294 | L | 82.9 | Confident | 83.9 | Confident | 65.5 Ų | 65.5 | 72 Ų | 72 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | -169.5 | -175.3 | 65.3 | 0 | 0 | 0 | 113.7 | Y2290 M2297 Y2298 T2401 | Y2290-L2294 HydrophobicContact CD2-CD1 4.28Å; Y2290-L2294 HydrophobicContact CE1-CD2 4.47Å; Y2290-L2294 HydrophobicContact CE2-CD1 4.07Å; Y2290-L2294 HydrophobicContact CE2-CD2 3.93Å; Y2290-L2294 HydrophobicContact CE2-CG 4.49Å; Y2290-L2294 WeakPolarHBondContact O-CB 3.46Å; L2294-M2297 PolarHBondContact O-N 2.79Å; L2294-Y2298 VanDerWaalsContact O-CB 3.27Å; L2294-Y2298 WeakPolarHBondContact O-CB 3.39Å; L2294-Y2298 PolarHBondContact O-N 3.04Å; L2294-T2401 HydrophobicContact CD1-CG2 4.13Å |
| 2295 | S | 84.2 | Confident | 84.2 | Confident | 84.5 Ų | 84.5 | 72.2 Ų | 72.2 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67 | -43.6 | -179.6 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | H2293 M2297 Y2298 L2299 | H2293-S2295 VanDerWaalsContact C-N 3.27Å; H2293-S2295 PolarHBondContact O-N 3.05Å; H2293-S2295 VanDerWaalsContact O-N 3.17Å; S2295-M2297 VanDerWaalsContact C-N 3.34Å; S2295-Y2298 PolarHBondContact O-N 2.99Å; S2295-L2299 PolarHBondContact O-N 3.03Å |
| 2296 | E | 85.8 | Confident | 84.6 | Confident | 107.5 Ų | 107.5 | 64.9 Ų | 64.9 | 50% | 0.502 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 176.6 | -64.3 | 172.5 | 167.3 | 0 | 0 | 110.9 | H2293 Y2298 L2299 M2300 | H2293-E2296 IonicContact CE1-OE2 3.43Å; H2293-E2296 IonicContact CG-OE2 3.4Å; H2293-E2296 IonicContact ND1-OE2 3Å; H2293-E2296 PolarHBondContact ND1-OE2 3.01Å; H2293-E2296 PolarHBondContact O-N 3.24Å; E2296-Y2298 VanDerWaalsContact C-N 3.34Å; E2296-Y2298 PolarHBondContact O-N 3.36Å; E2296-L2299 PolarHBondContact O-N 3.43Å; E2296-M2300 WeakPolarHBondContact O-CB 3.36Å; E2296-M2300 WeakPolarHBondContact O-CG 3.38Å; E2296-M2300 PolarHBondContact O-N 3.15Å |
| 2297 | M | 87.3 | Confident | 85.1 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 177.9 | -65.7 | -58 | 106.5 | 0 | 0 | 112 | L2284 P2288 H2293 L2294 S2295 M2300 Y2301 T2396 F2397 C2400 | L2284-M2297 HydrophobicContact CD1-CE 4.23Å; L2284-M2297 HydrophobicContact CD1-SD 4.46Å; L2284-M2297 HydrophobicContact CD2-CE 4.24Å; P2288-M2297 HydrophobicContact CB-CG 4.19Å; P2288-M2297 HydrophobicContact CB-SD 4.16Å; P2288-M2297 HydrophobicContact CG-CG 4.44Å; P2288-M2297 HydrophobicContact CG-SD 4.1Å; H2293-M2297 HydrophobicContact CB-CE 4.32Å; H2293-M2297 HydrophobicContact CB-CG 4.06Å; H2293-M2297 WeakPolarHBondContact O-CB 3.37Å; H2293-M2297 VanDerWaalsContact O-CG 3.24Å; H2293-M2297 WeakPolarHBondContact O-CG 3.36Å; H2293-M2297 PolarHBondContact O-N 3.28Å; L2294-M2297 PolarHBondContact O-N 2.79Å; S2295-M2297 VanDerWaalsContact C-N 3.34Å; M2297-M2300 HydrophobicContact CE-SD 3.69Å; M2297-M2300 WeakPolarHBondContact O-CB 3.19Å; M2297-M2300 PolarHBondContact O-N 3.16Å; M2297-M2300 HydrophobicContact SD-SD 4.02Å; M2297-Y2301 WeakPolarHBondContact O-CB 3.41Å; M2297-Y2301 PolarHBondContact O-N 3.11Å; M2297-T2396 HydrophobicContact SD-CG2 3.87Å; M2297-F2397 HydrophobicContact CB-CD2 4.19Å; M2297-F2397 WeakPolarHBondContact O-CD2 3.45Å; M2297-C2400 HydrophobicContact CB-CB 4.45Å; M2297-C2400 HydrophobicContact CG-CB 4.21Å |
| 2298 | Y | 88.3 | Confident | 85.5 | Confident | 117.5 Ų | 117.5 | 56.9 Ų | 56.9 | 46% | 0.461 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 174.1 | -177.4 | -98.9 | 0 | 0 | 0 | 111.7 | L2294 S2295 E2296 M2300 Y2301 T2302 F2397 | L2294-Y2298 VanDerWaalsContact O-CB 3.27Å; L2294-Y2298 WeakPolarHBondContact O-CB 3.39Å; L2294-Y2298 PolarHBondContact O-N 3.04Å; S2295-Y2298 PolarHBondContact O-N 2.99Å; E2296-Y2298 VanDerWaalsContact C-N 3.34Å; E2296-Y2298 PolarHBondContact O-N 3.36Å; Y2298-M2300 VanDerWaalsContact C-N 3.33Å; Y2298-M2300 PolarHBondContact O-N 3.22Å; Y2298-Y2301 HydrophobicContact CD2-CD1 4.34Å; Y2298-Y2301 HydrophobicContact CE2-CD1 4.36Å; Y2298-Y2301 WeakPolarHBondContact O-CB 3.27Å; Y2298-Y2301 PolarHBondContact O-N 3.11Å; Y2298-T2302 HydrophobicContact CD1-CG2 4.28Å; Y2298-T2302 HydrophobicContact CE1-CG2 3.84Å; Y2298-T2302 PolarHBondContact O-N 3.03Å; Y2298-T2302 PolarHBondContact O-OG1 3.19Å; Y2298-T2302 VanDerWaalsContact O-OG1 3.07Å; Y2298-F2397 AromaticContact CD2-CE2 3.91Å; Y2298-F2397 HydrophobicContact CD2-CE2 4.03Å; Y2298-F2397 HydrophobicContact CD2-CZ 4.21Å |
| 2299 | L | 89.1 | Confident | 85.8 | Confident | 80.5 Ų | 80.5 | 57 Ų | 57 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 172.9 | -179 | 64 | 0 | 0 | 0 | 111.1 | S2295 E2296 Y2301 T2302 L2303 | S2295-L2299 PolarHBondContact O-N 3.03Å; E2296-L2299 PolarHBondContact O-N 3.43Å; L2299-Y2301 VanDerWaalsContact C-N 3.3Å; L2299-Y2301 PolarHBondContact O-N 2.99Å; L2299-T2302 PolarHBondContact O-N 3.11Å; L2299-T2302 VanDerWaalsContact O-N 3.11Å; L2299-T2302 PolarHBondContact O-OG1 2.87Å; L2299-L2303 HydrophobicContact CD1-CD1 4.46Å; L2299-L2303 HydrophobicContact CD1-CG 4.33Å; L2299-L2303 HydrophobicContact CG-CD1 4.18Å; L2299-L2303 HydrophobicContact CG-CG 4.48Å; L2299-L2303 WeakPolarHBondContact O-CB 3.44Å; L2299-L2303 VanDerWaalsContact O-CG 3.25Å; L2299-L2303 WeakPolarHBondContact O-CG 3.41Å; L2299-L2303 PolarHBondContact O-N 3.07Å |
| 2300 | M | 89.2 | Confident | 86.4 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | 175.8 | -146.8 | 75.6 | 68 | 0 | 0 | 112.1 | I2277 T2280 L2281 E2296 M2297 Y2298 L2303 S2304 S2393 | I2277-M2300 HydrophobicContact CB-SD 4.16Å; I2277-M2300 HydrophobicContact CG1-SD 3.95Å; I2277-M2300 HydrophobicContact CG2-SD 3.83Å; T2280-M2300 HydrophobicContact CG2-CE 4.2Å; T2280-M2300 WeakPolarHBondContact OG1-CE 3.14Å; L2281-M2300 HydrophobicContact CD1-CE 4.46Å; L2281-M2300 HydrophobicContact CD2-CE 3.39Å; L2281-M2300 HydrophobicContact CG-CE 3.48Å; L2281-M2300 VanDerWaalsContact CG-CE 3.48Å; E2296-M2300 WeakPolarHBondContact O-CB 3.36Å; E2296-M2300 WeakPolarHBondContact O-CG 3.38Å; E2296-M2300 PolarHBondContact O-N 3.15Å; M2297-M2300 HydrophobicContact CE-SD 3.69Å; M2297-M2300 WeakPolarHBondContact O-CB 3.19Å; M2297-M2300 PolarHBondContact O-N 3.16Å; M2297-M2300 HydrophobicContact SD-SD 4.02Å; Y2298-M2300 VanDerWaalsContact C-N 3.33Å; Y2298-M2300 PolarHBondContact O-N 3.22Å; M2300-L2303 PolarHBondContact O-N 3.25Å; M2300-S2304 WeakPolarHBondContact O-CB 3.42Å; M2300-S2304 PolarHBondContact O-N 3.2Å; M2300-S2393 WeakPolarHBondContact CG-OG 3.35Å; M2300-S2393 PolarHBondContact O-OG 3.28Å |
| 2301 | Y | 90.9 | Very high | 87.1 | Confident | 28.25 Ų | 28.25 | 47.6 Ų | 47.6 | 11% | 0.111 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | 173.8 | 171.5 | -110.9 | 0 | 0 | 0 | 111.5 | M2297 Y2298 L2299 L2303 S2304 Q2305 L2394 F2397 | M2297-Y2301 WeakPolarHBondContact O-CB 3.41Å; M2297-Y2301 PolarHBondContact O-N 3.11Å; Y2298-Y2301 HydrophobicContact CD2-CD1 4.34Å; Y2298-Y2301 HydrophobicContact CE2-CD1 4.36Å; Y2298-Y2301 WeakPolarHBondContact O-CB 3.27Å; Y2298-Y2301 PolarHBondContact O-N 3.11Å; L2299-Y2301 VanDerWaalsContact C-N 3.3Å; L2299-Y2301 PolarHBondContact O-N 2.99Å; Y2301-L2303 PolarHBondContact O-N 3.2Å; Y2301-S2304 WeakPolarHBondContact O-CB 3.37Å; Y2301-S2304 PolarHBondContact O-N 3.27Å; Y2301-S2304 PolarHBondContact O-OG 3.32Å; Y2301-Q2305 VanDerWaalsContact CD1-NE2 3.34Å; Y2301-Q2305 HydrophobicContact CE1-CG 4.47Å; Y2301-Q2305 HydrophobicContact CE2-CG 4.34Å; Y2301-Q2305 PolarHBondContact O-N 3.22Å; Y2301-Q2305 VanDerWaalsContact O-N 3.08Å; Y2301-Q2305 PolarHBondContact OH-NE2 3Å; Y2301-L2394 HydrophobicContact CD2-CD2 3.74Å; Y2301-L2394 HydrophobicContact CE2-CD2 3.53Å; Y2301-F2397 HydrophobicContact CD1-CD1 4.25Å; Y2301-F2397 AromaticContact CD1-CE1 3.95Å; Y2301-F2397 HydrophobicContact CD1-CE1 4.24Å; Y2301-F2397 HydrophobicContact CD1-CE2 4.42Å; Y2301-F2397 HydrophobicContact CD1-CZ 4.15Å; Y2301-F2397 HydrophobicContact CD2-CB 4.42Å; Y2301-F2397 AromaticContact CD2-CD1 3.8Å; Y2301-F2397 HydrophobicContact CD2-CD1 3.8Å; Y2301-F2397 HydrophobicContact CD2-CE1 4.27Å; Y2301-F2397 HydrophobicContact CD2-CG 4.19Å; Y2301-F2397 HydrophobicContact CE1-CE1 4.2Å; Y2301-F2397 HydrophobicContact CE1-CZ 4.45Å; Y2301-F2397 HydrophobicContact CE2-CD1 4.27Å; Y2301-F2397 HydrophobicContact CE2-CE1 4.4Å; Y2301-F2397 AromaticContact CG-CD1 3.9Å; Y2301-F2397 HydrophobicContact CG-CD1 3.9Å; Y2301-F2397 HydrophobicContact CG-CD2 4.39Å; Y2301-F2397 AromaticContact CG-CE1 3.97Å; Y2301-F2397 HydrophobicContact CG-CE1 4.14Å; Y2301-F2397 HydrophobicContact CG-CE2 4.44Å; Y2301-F2397 AromaticContact CG-CG 3.95Å; Y2301-F2397 HydrophobicContact CG-CG 4.03Å; Y2301-F2397 HydrophobicContact CG-CZ 4.38Å |
| 2302 | T | 91.2 | Very high | 87.9 | Confident | 10.75 Ų | 10.75 | 40.5 Ų | 40.5 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 179.4 | -32.6 | 0 | 0 | 0 | 0 | 112.2 | S2209 V2212 Y2298 L2299 S2304 Q2305 C2306 | S2209-T2302 WeakPolarHBondContact O-CG2 3Å; S2209-T2302 PolarHBondContact O-OG1 3.02Å; S2209-T2302 VanDerWaalsContact O-OG1 3.12Å; V2212-T2302 HydrophobicContact CG2-CG2 4.32Å; Y2298-T2302 HydrophobicContact CD1-CG2 4.28Å; Y2298-T2302 HydrophobicContact CE1-CG2 3.84Å; Y2298-T2302 PolarHBondContact O-N 3.03Å; Y2298-T2302 PolarHBondContact O-OG1 3.19Å; Y2298-T2302 VanDerWaalsContact O-OG1 3.07Å; L2299-T2302 PolarHBondContact O-N 3.11Å; L2299-T2302 VanDerWaalsContact O-N 3.11Å; L2299-T2302 PolarHBondContact O-OG1 2.87Å; T2302-S2304 VanDerWaalsContact C-N 3.31Å; T2302-S2304 PolarHBondContact O-N 3.26Å; T2302-Q2305 WeakPolarHBondContact O-CA 3.32Å; T2302-Q2305 WeakPolarHBondContact O-CB 3.32Å; T2302-Q2305 PolarHBondContact O-N 3.05Å; T2302-Q2305 VanDerWaalsContact O-N 3.1Å; T2302-C2306 PolarHBondContact O-N 3.23Å; T2302-C2306 PolarHBondContact O-SG 3.13Å; T2302-C2306 VanDerWaalsContact O-SG 3.34Å |
| 2303 | L | 91.9 | Very high | 88.4 | Confident | 58.25 Ų | 58.25 | 34.3 Ų | 34.3 | 31% | 0.305 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 174.3 | -70.3 | 174.7 | 0 | 0 | 0 | 112 | I2277 L2299 M2300 Y2301 Q2305 C2306 L2307 | I2277-L2303 HydrophobicContact CD1-CB 4.24Å; I2277-L2303 HydrophobicContact CG1-CB 4.48Å; L2299-L2303 HydrophobicContact CD1-CD1 4.46Å; L2299-L2303 HydrophobicContact CD1-CG 4.33Å; L2299-L2303 HydrophobicContact CG-CD1 4.18Å; L2299-L2303 HydrophobicContact CG-CG 4.48Å; L2299-L2303 WeakPolarHBondContact O-CB 3.44Å; L2299-L2303 VanDerWaalsContact O-CG 3.25Å; L2299-L2303 WeakPolarHBondContact O-CG 3.41Å; L2299-L2303 PolarHBondContact O-N 3.07Å; M2300-L2303 PolarHBondContact O-N 3.25Å; Y2301-L2303 PolarHBondContact O-N 3.2Å; L2303-Q2305 VanDerWaalsContact C-N 3.29Å; L2303-Q2305 PolarHBondContact O-N 3.27Å; L2303-C2306 WeakPolarHBondContact O-CB 3.37Å; L2303-C2306 PolarHBondContact O-N 3.01Å; L2303-L2307 WeakPolarHBondContact O-CB 3.42Å; L2303-L2307 PolarHBondContact O-N 3.39Å |
| 2304 | S | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -33.9 | 173.9 | 79.2 | 0 | 0 | 0 | 0 | 112.6 | M2300 Y2301 T2302 L2307 S2308 S2393 | M2300-S2304 WeakPolarHBondContact O-CB 3.42Å; M2300-S2304 PolarHBondContact O-N 3.2Å; Y2301-S2304 WeakPolarHBondContact O-CB 3.37Å; Y2301-S2304 PolarHBondContact O-N 3.27Å; Y2301-S2304 PolarHBondContact O-OG 3.32Å; T2302-S2304 VanDerWaalsContact C-N 3.31Å; T2302-S2304 PolarHBondContact O-N 3.26Å; S2304-L2307 PolarHBondContact O-N 3.19Å; S2304-S2308 VanDerWaalsContact O-CB 3.31Å; S2304-S2308 WeakPolarHBondContact O-CB 3.28Å; S2304-S2308 PolarHBondContact O-N 3.08Å; S2304-S2393 WeakPolarHBondContact CB-OG 3.28Å; S2304-S2393 PolarHBondContact OG-OG 3.39Å |
| 2305 | Q | 91.4 | Very high | 88.8 | Confident | 39.75 Ų | 39.75 | 28.5 Ų | 28.5 | 19% | 0.186 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 172 | -67.3 | -179.8 | 21.5 | 0 | 0 | 112.5 | V2212 Y2301 T2302 L2303 L2307 S2308 A2309 I2513 | V2212-Q2305 HydrophobicContact CB-CB 4.46Å; V2212-Q2305 HydrophobicContact CG1-CB 4.07Å; V2212-Q2305 HydrophobicContact CG2-CB 3.53Å; V2212-Q2305 VanDerWaalsContact CG2-CB 3.48Å; V2212-Q2305 HydrophobicContact CG2-CG 4.45Å; V2212-Q2305 VanDerWaalsContact CG2-OE1 3.25Å; Y2301-Q2305 VanDerWaalsContact CD1-NE2 3.34Å; Y2301-Q2305 HydrophobicContact CE1-CG 4.47Å; Y2301-Q2305 HydrophobicContact CE2-CG 4.34Å; Y2301-Q2305 PolarHBondContact O-N 3.22Å; Y2301-Q2305 VanDerWaalsContact O-N 3.08Å; Y2301-Q2305 PolarHBondContact OH-NE2 3Å; T2302-Q2305 WeakPolarHBondContact O-CA 3.32Å; T2302-Q2305 WeakPolarHBondContact O-CB 3.32Å; T2302-Q2305 PolarHBondContact O-N 3.05Å; T2302-Q2305 VanDerWaalsContact O-N 3.1Å; L2303-Q2305 VanDerWaalsContact C-N 3.29Å; L2303-Q2305 PolarHBondContact O-N 3.27Å; Q2305-L2307 VanDerWaalsContact C-N 3.34Å; Q2305-L2307 PolarHBondContact O-N 3.17Å; Q2305-S2308 PolarHBondContact O-N 3.04Å; Q2305-A2309 WeakPolarHBondContact O-CB 3.28Å; Q2305-A2309 PolarHBondContact O-N 3.24Å; Q2305-I2513 HydrophobicContact CB-CD1 3.93Å; Q2305-I2513 HydrophobicContact CG-CD1 3.53Å; Q2305-I2513 VanDerWaalsContact CG-CD1 3.45Å |
| 2306 | C | 90.8 | Very high | 88.7 | Confident | 2.5 Ų | 2.5 | 24.6 Ų | 24.6 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.6 | -48.9 | 174.3 | -63.5 | 0 | 0 | 0 | 0 | 111 | S2208 A2215 T2302 L2303 S2308 A2309 C2310 | S2208-C2306 PolarHBondContact O-SG 3.08Å; A2215-C2306 HydrophobicContact CB-CB 3.6Å; T2302-C2306 PolarHBondContact O-N 3.23Å; T2302-C2306 PolarHBondContact O-SG 3.13Å; T2302-C2306 VanDerWaalsContact O-SG 3.34Å; L2303-C2306 WeakPolarHBondContact O-CB 3.37Å; L2303-C2306 PolarHBondContact O-N 3.01Å; C2306-S2308 PolarHBondContact O-N 2.93Å; C2306-A2309 PolarHBondContact O-N 3.04Å; C2306-C2310 WeakPolarHBondContact O-CB 3.34Å; C2306-C2310 PolarHBondContact O-N 3.19Å; C2306-C2310 PolarHBondContact O-SG 3.25Å |
| 2307 | L | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 178.2 | 180 | 60.6 | 0 | 0 | 0 | 111.6 | V2270 Q2273 T2274 I2277 L2303 S2304 Q2305 A2309 C2310 M2311 A2389 I2390 | V2270-L2307 HydrophobicContact CG1-CD1 4.1Å; Q2273-L2307 HydrophobicContact CB-CD1 4.18Å; T2274-L2307 HydrophobicContact CG2-CD1 3.71Å; T2274-L2307 HydrophobicContact CG2-CD2 3.72Å; T2274-L2307 HydrophobicContact CG2-CG 4.34Å; T2274-L2307 WeakPolarHBondContact OG1-CD2 3.29Å; I2277-L2307 HydrophobicContact CD1-CB 4.43Å; I2277-L2307 HydrophobicContact CD1-CD2 3.93Å; L2303-L2307 WeakPolarHBondContact O-CB 3.42Å; L2303-L2307 PolarHBondContact O-N 3.39Å; S2304-L2307 PolarHBondContact O-N 3.19Å; Q2305-L2307 VanDerWaalsContact C-N 3.34Å; Q2305-L2307 PolarHBondContact O-N 3.17Å; L2307-A2309 VanDerWaalsContact C-N 3.32Å; L2307-A2309 PolarHBondContact O-N 3.23Å; L2307-C2310 PolarHBondContact O-N 3.05Å; L2307-M2311 HydrophobicContact CD1-CG 4.12Å; L2307-M2311 HydrophobicContact CD1-SD 4.33Å; L2307-M2311 HydrophobicContact CG-CG 4.44Å; L2307-M2311 HydrophobicContact CG-SD 4.23Å; L2307-M2311 VanDerWaalsContact O-CB 3.26Å; L2307-M2311 WeakPolarHBondContact O-CB 3.36Å; L2307-M2311 VanDerWaalsContact O-CG 3.28Å; L2307-M2311 WeakPolarHBondContact O-CG 3.41Å; L2307-M2311 PolarHBondContact O-N 3.11Å; L2307-A2389 HydrophobicContact CD2-CB 4.25Å; L2307-I2390 HydrophobicContact CB-CD1 4.46Å; L2307-I2390 HydrophobicContact CB-CG1 4.42Å; L2307-I2390 HydrophobicContact CD2-CD1 4.29Å; L2307-I2390 HydrophobicContact CD2-CG1 3.95Å; L2307-I2390 HydrophobicContact CG-CD1 4.13Å; L2307-I2390 HydrophobicContact CG-CG1 4.19Å |
| 2308 | S | 91.7 | Very high | 86.9 | Confident | 2.25 Ų | 2.25 | 22.4 Ų | 22.4 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | S2304 Q2305 C2306 Y2312 V2512 I2513 | S2304-S2308 VanDerWaalsContact O-CB 3.31Å; S2304-S2308 WeakPolarHBondContact O-CB 3.28Å; S2304-S2308 PolarHBondContact O-N 3.08Å; Q2305-S2308 PolarHBondContact O-N 3.04Å; C2306-S2308 PolarHBondContact O-N 2.93Å; S2308-Y2312 VanDerWaalsContact O-CB 3.27Å; S2308-Y2312 WeakPolarHBondContact O-CB 3.43Å; S2308-Y2312 PolarHBondContact O-N 3.23Å; S2308-Y2312 VanDerWaalsContact O-N 3.09Å; S2308-V2512 PolarHBondContact OG-N 3.48Å; S2308-I2513 PolarHBondContact OG-N 3.17Å |
| 2309 | A | 88.8 | Confident | 85.4 | Confident | 9 Ų | 9 | 19.7 Ų | 19.7 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.9 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V2107 V2212 Q2305 C2306 L2307 M2311 Y2312 G2313 | V2107-A2309 HydrophobicContact CG1-CB 4.27Å; V2107-A2309 HydrophobicContact CG2-CB 4.34Å; V2212-A2309 HydrophobicContact CG1-CB 3.75Å; Q2305-A2309 WeakPolarHBondContact O-CB 3.28Å; Q2305-A2309 PolarHBondContact O-N 3.24Å; C2306-A2309 PolarHBondContact O-N 3.04Å; L2307-A2309 VanDerWaalsContact C-N 3.32Å; L2307-A2309 PolarHBondContact O-N 3.23Å; A2309-M2311 VanDerWaalsContact C-N 3.34Å; A2309-M2311 PolarHBondContact O-N 3.12Å; A2309-Y2312 PolarHBondContact O-N 3.26Å; A2309-G2313 PolarHBondContact O-N 3.09Å |
| 2310 | C | 88.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.3 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | A2215 M2219 C2306 L2307 S2314 | A2215-C2310 VanDerWaalsContact C-SG 3.56Å; A2215-C2310 PolarHBondContact O-SG 3.17Å; A2215-C2310 VanDerWaalsContact O-SG 3.35Å; M2219-C2310 HydrophobicContact CB-CB 4.23Å; M2219-C2310 HydrophobicContact CG-CB 4.18Å; C2306-C2310 WeakPolarHBondContact O-CB 3.34Å; C2306-C2310 PolarHBondContact O-N 3.19Å; C2306-C2310 PolarHBondContact O-SG 3.25Å; L2307-C2310 PolarHBondContact O-N 3.05Å; C2310-S2314 WeakPolarHBondContact O-CB 3.23Å; C2310-S2314 PolarHBondContact O-N 3.2Å; C2310-S2314 VanDerWaalsContact O-N 3.08Å; C2310-S2314 PolarHBondContact O-OG 3.11Å |
| 2311 | M | 88.9 | Confident | 82.1 | Confident | 4.75 Ų | 4.75 | 18.6 Ų | 18.6 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 176.4 | -77.6 | -124.8 | 8.1 | 0 | 0 | 111.7 | L2251 V2270 L2307 A2309 G2313 S2314 L2315 L2383 S2386 I2390 F2424 | L2251-M2311 HydrophobicContact CD2-CE 3.89Å; V2270-M2311 HydrophobicContact CB-SD 4.42Å; V2270-M2311 HydrophobicContact CG1-CG 4.39Å; V2270-M2311 HydrophobicContact CG1-SD 3.51Å; V2270-M2311 WeakPolarHBondContact CG1-SD 3.41Å; V2270-M2311 HydrophobicContact CG2-SD 4.11Å; L2307-M2311 HydrophobicContact CD1-CG 4.12Å; L2307-M2311 HydrophobicContact CD1-SD 4.33Å; L2307-M2311 HydrophobicContact CG-CG 4.44Å; L2307-M2311 HydrophobicContact CG-SD 4.23Å; L2307-M2311 VanDerWaalsContact O-CB 3.26Å; L2307-M2311 WeakPolarHBondContact O-CB 3.36Å; L2307-M2311 VanDerWaalsContact O-CG 3.28Å; L2307-M2311 WeakPolarHBondContact O-CG 3.41Å; L2307-M2311 PolarHBondContact O-N 3.11Å; A2309-M2311 VanDerWaalsContact C-N 3.34Å; A2309-M2311 PolarHBondContact O-N 3.12Å; M2311-G2313 VanDerWaalsContact C-N 3.34Å; M2311-G2313 PolarHBondContact O-N 3.13Å; M2311-S2314 PolarHBondContact O-N 3.03Å; M2311-S2314 VanDerWaalsContact O-N 3.14Å; M2311-S2314 PolarHBondContact O-OG 3.24Å; M2311-L2315 HydrophobicContact CE-CD1 4.24Å; M2311-L2315 HydrophobicContact CE-CG 4.5Å; M2311-L2315 VanDerWaalsContact O-CG 3.28Å; M2311-L2315 WeakPolarHBondContact O-CG 3.42Å; M2311-L2315 PolarHBondContact O-N 3.29Å; M2311-L2315 VanDerWaalsContact O-N 3.17Å; M2311-L2383 HydrophobicContact CE-CD2 3.41Å; M2311-L2383 HydrophobicContact SD-CD2 4.32Å; M2311-S2386 WeakPolarHBondContact CE-OG 3.39Å; M2311-S2386 WeakPolarHBondContact SD-CB 3.35Å; M2311-S2386 PolarHBondContact SD-OG 2.9Å; M2311-S2386 VanDerWaalsContact SD-OG 3.32Å; M2311-I2390 HydrophobicContact SD-CD1 3.9Å; M2311-F2424 HydrophobicContact CE-CD1 4.37Å; M2311-F2424 HydrophobicContact CE-CE1 3.61Å; M2311-F2424 HydrophobicContact CE-CZ 4.35Å |
| 2312 | Y | 87.9 | Confident | 80.1 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 179.7 | 177.9 | -105.3 | 0 | 0 | 0 | 111.5 | V2107 G2109 S2308 A2309 S2314 L2315 C2316 P2508 K2510 | V2107-Y2312 HydrophobicContact CB-CD1 4.45Å; V2107-Y2312 HydrophobicContact CG1-CD1 4.03Å; V2107-Y2312 HydrophobicContact CG1-CE1 4.13Å; V2107-Y2312 WeakPolarHBondContact O-CE1 3.31Å; G2109-Y2312 PolarHBondContact N-OH 2.84Å; G2109-Y2312 VanDerWaalsContact N-OH 3.14Å; S2308-Y2312 VanDerWaalsContact O-CB 3.27Å; S2308-Y2312 WeakPolarHBondContact O-CB 3.43Å; S2308-Y2312 PolarHBondContact O-N 3.23Å; S2308-Y2312 VanDerWaalsContact O-N 3.09Å; A2309-Y2312 PolarHBondContact O-N 3.26Å; Y2312-S2314 VanDerWaalsContact C-N 3.29Å; Y2312-S2314 PolarHBondContact O-N 3.12Å; Y2312-L2315 PolarHBondContact O-N 3.03Å; Y2312-L2315 VanDerWaalsContact O-N 3.11Å; Y2312-C2316 VanDerWaalsContact CE1-SG 3.56Å; Y2312-C2316 VanDerWaalsContact CE2-SG 3.54Å; Y2312-C2316 VanDerWaalsContact CZ-SG 3.55Å; Y2312-C2316 PolarHBondContact O-N 2.96Å; Y2312-C2316 VanDerWaalsContact O-N 3.1Å; Y2312-C2316 PolarHBondContact O-SG 3.07Å; Y2312-P2508 HydrophobicContact CD2-CB 4.2Å; Y2312-P2508 HydrophobicContact CD2-CG 3.86Å; Y2312-P2508 HydrophobicContact CE2-CB 4.17Å; Y2312-P2508 HydrophobicContact CE2-CG 3.95Å; Y2312-K2510 VanDerWaalsContact CE2-C 3.47Å |
| 2313 | G | 83.9 | Confident | 78.1 | Confident | 5.25 Ų | 5.25 | 22.7 Ų | 22.7 | 5% | 0.054 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.3 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R2113 A2309 M2311 L2315 C2316 | R2113-G2313 PolarHBondContact NH2-O 3.12Å; A2309-G2313 PolarHBondContact O-N 3.09Å; M2311-G2313 VanDerWaalsContact C-N 3.34Å; M2311-G2313 PolarHBondContact O-N 3.13Å; G2313-L2315 VanDerWaalsContact C-N 3.33Å; G2313-L2315 PolarHBondContact O-N 3.3Å; G2313-L2315 VanDerWaalsContact O-N 3.16Å; G2313-C2316 PolarHBondContact O-N 2.92Å |
| 2314 | S | 85 | Confident | 75.9 | Confident | 0.5 Ų | 0.5 | 23.2 Ų | 23.2 | 0% | 0.003 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.7 | -16 | -179.4 | -38 | 0 | 0 | 0 | 0 | 114.8 | M2219 P2250 L2251 C2310 M2311 Y2312 | M2219-S2314 WeakPolarHBondContact CE-OG 3.38Å; M2219-S2314 WeakPolarHBondContact CG-OG 3.41Å; P2250-S2314 VanDerWaalsContact CD-O 3.31Å; P2250-S2314 WeakPolarHBondContact CD-O 3.37Å; L2251-S2314 PolarHBondContact N-O 3.13Å; L2251-S2314 VanDerWaalsContact N-O 3.13Å; C2310-S2314 WeakPolarHBondContact O-CB 3.23Å; C2310-S2314 PolarHBondContact O-N 3.2Å; C2310-S2314 VanDerWaalsContact O-N 3.08Å; C2310-S2314 PolarHBondContact O-OG 3.11Å; M2311-S2314 PolarHBondContact O-N 3.03Å; M2311-S2314 VanDerWaalsContact O-N 3.14Å; M2311-S2314 PolarHBondContact O-OG 3.24Å; Y2312-S2314 VanDerWaalsContact C-N 3.29Å; Y2312-S2314 PolarHBondContact O-N 3.12Å |
| 2315 | L | 84.5 | Confident | 73.7 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -101 | -19.2 | 178.5 | -65.6 | 177.1 | 0 | 0 | 0 | 113 | F2249 L2251 M2311 Y2312 G2313 W2358 L2383 F2424 W2505 P2508 | F2249-L2315 HydrophobicContact CD2-CD2 3.88Å; F2249-L2315 HydrophobicContact CE2-CD2 3.59Å; F2249-L2315 HydrophobicContact CG-CD2 4.35Å; F2249-L2315 HydrophobicContact CZ-CD2 4.28Å; L2251-L2315 HydrophobicContact CB-CD2 4.3Å; L2251-L2315 HydrophobicContact CD2-CD2 3.94Å; L2251-L2315 HydrophobicContact CD2-CG 4.47Å; M2311-L2315 HydrophobicContact CE-CD1 4.24Å; M2311-L2315 HydrophobicContact CE-CG 4.5Å; M2311-L2315 VanDerWaalsContact O-CG 3.28Å; M2311-L2315 WeakPolarHBondContact O-CG 3.42Å; M2311-L2315 PolarHBondContact O-N 3.29Å; M2311-L2315 VanDerWaalsContact O-N 3.17Å; Y2312-L2315 PolarHBondContact O-N 3.03Å; Y2312-L2315 VanDerWaalsContact O-N 3.11Å; G2313-L2315 VanDerWaalsContact C-N 3.33Å; G2313-L2315 PolarHBondContact O-N 3.3Å; G2313-L2315 VanDerWaalsContact O-N 3.16Å; L2315-W2358 HydrophobicContact CD2-CH2 4.49Å; L2315-W2358 HydrophobicContact CD2-CZ2 4.26Å; L2315-L2383 HydrophobicContact CD1-CD2 4.36Å; L2315-F2424 HydrophobicContact CD1-CB 4.42Å; L2315-F2424 HydrophobicContact CD1-CD1 3.83Å; L2315-W2505 HydrophobicContact CB-CZ2 4.47Å; L2315-W2505 HydrophobicContact CD2-CZ2 4.32Å; L2315-W2505 PolarHBondContact O-NE1 3.32Å; L2315-P2508 HydrophobicContact CB-CG 3.74Å; L2315-P2508 HydrophobicContact CD1-CG 4.41Å; L2315-P2508 WeakPolarHBondContact O-CD 3.22Å |
| 2316 | C | 81.6 | Confident | 71.6 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | trans | -77.8 | 142.7 | 176.1 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | R2113 Y2312 G2313 | R2113-C2316 PolarHBondContact NH1-O 3.14Å; Y2312-C2316 VanDerWaalsContact CE1-SG 3.56Å; Y2312-C2316 VanDerWaalsContact CE2-SG 3.54Å; Y2312-C2316 VanDerWaalsContact CZ-SG 3.55Å; Y2312-C2316 PolarHBondContact O-N 2.96Å; Y2312-C2316 VanDerWaalsContact O-N 3.1Å; Y2312-C2316 PolarHBondContact O-SG 3.07Å; G2313-C2316 PolarHBondContact O-N 2.92Å | ||
| 2317 | D | 71.8 | Confident | 69.5 | Low | 40.25 Ų | 40.25 | 40.4 Ų | 40.4 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | trans | -99.9 | 151.4 | 175.6 | -173.2 | 11.6 | 0 | 0 | 0 | 111 | T2248 S2319 S2320 Q2507 | T2248-D2317 VanDerWaalsContact CA-CG 3.46Å; T2248-D2317 WeakPolarHBondContact CA-OD1 3.49Å; T2248-D2317 WeakPolarHBondContact CG2-OD2 3.29Å; D2317-S2319 VanDerWaalsContact C-N 3.3Å; D2317-S2319 PolarHBondContact O-N 3.05Å; D2317-S2319 PolarHBondContact OD1-N 3.23Å; D2317-S2319 WeakPolarHBondContact OD2-CB 3.34Å; D2317-S2319 PolarHBondContact OD2-OG 3.08Å; D2317-S2320 PolarHBondContact O-OG 3.11Å; D2317-Q2507 VanDerWaalsContact N-OE1 3.16Å; D2317-Q2507 PolarHBondContact O-OE1 3.04Å | ||
| 2318 | M | 64.7 | Low | 67.4 | Low | 26.5 Ų | 26.5 | 41.5 Ų | 41.5 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -72.1 | -24.3 | 174.5 | -73.6 | -67.3 | -75.6 | 0 | 0 | 113.6 | R2113 A2114 Y2117 S2320 V2321 L2335 | R2113-M2318 HydrophobicContact CB-CE 4.38Å; R2113-M2318 HydrophobicContact CB-SD 3.7Å; R2113-M2318 VanDerWaalsContact CB-SD 3.55Å; R2113-M2318 VanDerWaalsContact CD-CG 3.48Å; R2113-M2318 VanDerWaalsContact CD-SD 3.5Å; R2113-M2318 WeakPolarHBondContact CD-SD 3.18Å; R2113-M2318 HydrophobicContact CG-CE 4.25Å; R2113-M2318 HydrophobicContact CG-CG 4.27Å; R2113-M2318 HydrophobicContact CG-SD 3.56Å; R2113-M2318 VanDerWaalsContact CG-SD 3.56Å; A2114-M2318 VanDerWaalsContact CA-CE 3.41Å; A2114-M2318 HydrophobicContact CB-CE 3.65Å; A2114-M2318 VanDerWaalsContact CB-CE 3.45Å; A2114-M2318 HydrophobicContact CB-SD 4.25Å; A2114-M2318 VanDerWaalsContact N-CE 3.35Å; Y2117-M2318 HydrophobicContact CD2-CE 4.14Å; Y2117-M2318 HydrophobicContact CE2-CE 4.3Å; M2318-S2320 VanDerWaalsContact C-N 3.27Å; M2318-S2320 PolarHBondContact O-N 3.09Å; M2318-V2321 WeakPolarHBondContact O-CB 3.17Å; M2318-V2321 PolarHBondContact O-N 3.19Å; M2318-V2321 VanDerWaalsContact O-N 3.12Å; M2318-L2335 HydrophobicContact CE-CD2 3.71Å |
| 2319 | S | 56.7 | Low | 65.5 | Low | 61.25 Ų | 61.25 | 49.3 Ų | 49.3 | 43% | 0.428 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.7 | -170.4 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | D2317 V2321 | D2317-S2319 VanDerWaalsContact C-N 3.3Å; D2317-S2319 PolarHBondContact O-N 3.05Å; D2317-S2319 PolarHBondContact OD1-N 3.23Å; D2317-S2319 WeakPolarHBondContact OD2-CB 3.34Å; D2317-S2319 PolarHBondContact OD2-OG 3.08Å; S2319-V2321 VanDerWaalsContact C-N 3.28Å; S2319-V2321 PolarHBondContact O-N 3.31Å |
| 2320 | S | 53.3 | Low | 63.8 | Low | 59.75 Ų | 59.75 | 57.3 Ų | 57.3 | 42% | 0.418 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -83 | -13.2 | -178.3 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | D2317 M2318 P2322 Q2507 | D2317-S2320 PolarHBondContact O-OG 3.11Å; M2318-S2320 VanDerWaalsContact C-N 3.27Å; M2318-S2320 PolarHBondContact O-N 3.09Å; S2320-P2322 WeakPolarHBondContact O-CD 3.37Å; S2320-Q2507 PolarHBondContact OG-NE2 2.99Å; S2320-Q2507 PolarHBondContact OG-OE1 3.06Å |
| 2321 | V | 54.1 | Low | 62.3 | Low | 18.5 Ų | 18.5 | 63.3 Ų | 63.3 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | trans | -80.8 | 122.9 | -175 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | G2109 G2110 Q2111 M2318 S2319 I2323 S2324 | G2109-V2321 WeakPolarHBondContact O-CG2 3.38Å; G2110-V2321 VanDerWaalsContact C-CG2 3.41Å; Q2111-V2321 HydrophobicContact CG-CG1 3.97Å; Q2111-V2321 HydrophobicContact CG-CG2 4.33Å; M2318-V2321 WeakPolarHBondContact O-CB 3.17Å; M2318-V2321 PolarHBondContact O-N 3.19Å; M2318-V2321 VanDerWaalsContact O-N 3.12Å; S2319-V2321 VanDerWaalsContact C-N 3.28Å; S2319-V2321 PolarHBondContact O-N 3.31Å; V2321-I2323 HydrophobicContact CB-CG1 4.39Å; V2321-I2323 HydrophobicContact CG1-CB 3.97Å; V2321-I2323 HydrophobicContact CG1-CD1 3.84Å; V2321-I2323 HydrophobicContact CG1-CG1 3.99Å; V2321-I2323 PolarHBondContact O-N 3.16Å; V2321-S2324 WeakPolarHBondContact O-CB 3.43Å; V2321-S2324 PolarHBondContact O-N 3.46Å; V2321-S2324 VanDerWaalsContact O-N 3.08Å | ||
| 2322 | P | 49.5 | Very low | 61.3 | Low | 93.25 Ų | 93.25 | 64.4 Ų | 64.4 | 61% | 0.606 | 35% | 0.345 | S | S | * | . | trans | -64.6 | 34.1 | 176.2 | 4.2 | -3.3 | 0 | 0 | 0 | 111.9 | S2320 S2324 K2325 M2326 | S2320-P2322 WeakPolarHBondContact O-CD 3.37Å; P2322-S2324 VanDerWaalsContact C-N 3.27Å; P2322-S2324 PolarHBondContact O-N 3.24Å; P2322-S2324 VanDerWaalsContact O-N 3.16Å; P2322-K2325 WeakPolarHBondContact O-CA 3.29Å; P2322-K2325 VanDerWaalsContact O-CB 3.29Å; P2322-K2325 WeakPolarHBondContact O-CB 3.16Å; P2322-K2325 PolarHBondContact O-N 3.12Å; P2322-K2325 VanDerWaalsContact O-N 3.16Å; P2322-M2326 PolarHBondContact O-N 3.38Å; P2322-M2326 VanDerWaalsContact O-N 3.15Å | ||
| 2323 | I | 49.7 | Very low | 60.2 | Low | 30.5 Ų | 30.5 | 66.8 Ų | 66.8 | 16% | 0.156 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -60.7 | -22.8 | 177.8 | -60.4 | 168.5 | 0 | 0 | 0 | 110.4 | Q2111 A2114 V2321 K2325 M2326 L2327 A2328 H2336 | Q2111-I2323 HydrophobicContact CG-CD1 4.39Å; A2114-I2323 HydrophobicContact CB-CD1 3.68Å; V2321-I2323 HydrophobicContact CB-CG1 4.39Å; V2321-I2323 HydrophobicContact CG1-CB 3.97Å; V2321-I2323 HydrophobicContact CG1-CD1 3.84Å; V2321-I2323 HydrophobicContact CG1-CG1 3.99Å; V2321-I2323 PolarHBondContact O-N 3.16Å; I2323-K2325 PolarHBondContact O-N 3.11Å; I2323-K2325 VanDerWaalsContact O-N 3.1Å; I2323-M2326 CarbonylContact O-C 3.55Å; I2323-M2326 WeakPolarHBondContact O-CA 3.36Å; I2323-M2326 PolarHBondContact O-N 3.05Å; I2323-L2327 HydrophobicContact CG2-CB 4.42Å; I2323-L2327 HydrophobicContact CG2-CD1 3.74Å; I2323-L2327 HydrophobicContact CG2-CG 3.83Å; I2323-L2327 WeakPolarHBondContact O-CB 3.34Å; I2323-L2327 PolarHBondContact O-N 3.36Å; I2323-A2328 HydrophobicContact CG2-CB 4Å; I2323-H2336 WeakPolarHBondContact CD1-O 3.38Å |
| 2324 | S | 45.7 | Very low | 59.4 | Low | 69.75 Ų | 69.75 | 66.8 Ų | 66.8 | 49% | 0.488 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -61.1 | -18.5 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 114.2 | V2321 P2322 M2326 A2328 | V2321-S2324 WeakPolarHBondContact O-CB 3.43Å; V2321-S2324 PolarHBondContact O-N 3.46Å; V2321-S2324 VanDerWaalsContact O-N 3.08Å; P2322-S2324 VanDerWaalsContact C-N 3.27Å; P2322-S2324 PolarHBondContact O-N 3.24Å; P2322-S2324 VanDerWaalsContact O-N 3.16Å; S2324-M2326 PolarHBondContact O-N 3.27Å; S2324-A2328 WeakPolarHBondContact O-CB 3.27Å |
| 2325 | K | 47.3 | Very low | 58.4 | Low | 167 Ų | 167 | 67.9 Ų | 67.9 | 73% | 0.726 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -87.3 | -18.7 | 176.7 | -69.1 | -173.5 | 178.9 | 179.7 | 0 | 114.1 | P2322 I2323 D2340 I2343 | P2322-K2325 WeakPolarHBondContact O-CA 3.29Å; P2322-K2325 VanDerWaalsContact O-CB 3.29Å; P2322-K2325 WeakPolarHBondContact O-CB 3.16Å; P2322-K2325 PolarHBondContact O-N 3.12Å; P2322-K2325 VanDerWaalsContact O-N 3.16Å; I2323-K2325 PolarHBondContact O-N 3.11Å; I2323-K2325 VanDerWaalsContact O-N 3.1Å; K2325-D2340 VanDerWaalsContact CE-OD2 3.24Å; K2325-D2340 WeakPolarHBondContact CE-OD2 3.35Å; K2325-D2340 IonicContact NZ-OD2 2.86Å; K2325-I2343 VanDerWaalsContact NZ-CD1 3.31Å |
| 2326 | M | 46.3 | Very low | 57.1 | Low | 121 Ų | 121 | 71.1 Ų | 71.1 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -103 | 49 | 175.1 | -80.9 | -159.4 | 78.1 | 0 | 0 | 112.6 | Q2115 L2118 P2322 I2323 S2324 A2328 | Q2115-M2326 VanDerWaalsContact NE2-CE 3.29Å; Q2115-M2326 PolarHBondContact NE2-SD 3.13Å; L2118-M2326 HydrophobicContact CD2-CE 3.6Å; L2118-M2326 VanDerWaalsContact CD2-CE 3.5Å; P2322-M2326 PolarHBondContact O-N 3.38Å; P2322-M2326 VanDerWaalsContact O-N 3.15Å; I2323-M2326 CarbonylContact O-C 3.55Å; I2323-M2326 WeakPolarHBondContact O-CA 3.36Å; I2323-M2326 PolarHBondContact O-N 3.05Å; S2324-M2326 PolarHBondContact O-N 3.27Å; M2326-A2328 PolarHBondContact O-N 3.1Å |
| 2327 | L | 47.3 | Very low | 55.6 | Low | 115.25 Ų | 115.25 | 75.8 Ų | 75.8 | 60% | 0.603 | 40% | 0.395 | S | S | * | . | trans | -79.8 | 28 | -179.5 | -71.3 | 167.2 | 0 | 0 | 0 | 112.6 | D1495 A1498 L2118 I2323 K2329 | D1495-L2327 WeakPolarHBondContact OD1-CD2 3.43Å; A1498-L2327 HydrophobicContact CB-CD1 3.59Å; L2118-L2327 HydrophobicContact CD2-CB 4.46Å; L2118-L2327 HydrophobicContact CD2-CD1 3.7Å; I2323-L2327 HydrophobicContact CG2-CB 4.42Å; I2323-L2327 HydrophobicContact CG2-CD1 3.74Å; I2323-L2327 HydrophobicContact CG2-CG 3.83Å; I2323-L2327 WeakPolarHBondContact O-CB 3.34Å; I2323-L2327 PolarHBondContact O-N 3.36Å; L2327-K2329 VanDerWaalsContact C-N 3.29Å; L2327-K2329 PolarHBondContact O-N 3.21Å | ||
| 2328 | A | 48.9 | Very low | 54.5 | Low | 22.5 Ų | 22.5 | 77.5 Ų | 77.5 | 19% | 0.186 | 41% | 0.407 | C | S | . | . | trans | -67.7 | 93.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | I2323 S2324 M2326 E2330 K2337 | I2323-A2328 HydrophobicContact CG2-CB 4Å; S2324-A2328 WeakPolarHBondContact O-CB 3.27Å; M2326-A2328 PolarHBondContact O-N 3.1Å; A2328-E2330 PolarHBondContact O-N 3.3Å; A2328-K2337 HydrophobicContact CB-CB 4.25Å | ||
| 2329 | K | 51.5 | Low | 53.4 | Low | 165.75 Ų | 165.75 | 81.7 Ų | 81.7 | 72% | 0.721 | 43% | 0.43 | S | S | * | . | trans | -51.7 | 139.5 | 162.9 | -74.3 | -179 | 178.3 | 177.3 | 0 | 107.2 | L2327 N2331 S2332 | L2327-K2329 VanDerWaalsContact C-N 3.29Å; L2327-K2329 PolarHBondContact O-N 3.21Å; K2329-N2331 PolarHBondContact O-N 3.37Å; K2329-S2332 PolarHBondContact O-N 3.01Å; K2329-S2332 VanDerWaalsContact O-N 3.16Å | ||
| 2330 | E | 51.7 | Low | 52.6 | Low | 177.25 Ų | 177.25 | 83.3 Ų | 83.3 | 83% | 0.828 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -8.9 | 179.6 | -64.9 | -175.5 | 151.7 | 0 | 0 | 113.8 | A2328 | A2328-E2330 PolarHBondContact O-N 3.3Š|
| 2331 | N | 59.1 | Low | 51.8 | Low | 127 Ų | 127 | 87.2 Ų | 87.2 | 68% | 0.679 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 10.4 | -173.8 | -66.2 | -10.4 | 0 | 0 | 0 | 115.5 | K2329 | K2329-N2331 PolarHBondContact O-N 3.37Š|
| 2332 | S | 67.9 | Low | 50.9 | Low | 27.25 Ų | 27.25 | 89.3 Ų | 89.3 | 19% | 0.191 | 47% | 0.466 | C | S | . | . | trans | -64.8 | 138.3 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 111 | E2121 K2329 L2335 | E2121-S2332 VanDerWaalsContact CD-OG 3.24Å; E2121-S2332 PolarHBondContact OE1-OG 3.12Å; E2121-S2332 WeakPolarHBondContact OE2-CB 3.38Å; E2121-S2332 PolarHBondContact OE2-OG 2.93Å; K2329-S2332 PolarHBondContact O-N 3.01Å; K2329-S2332 VanDerWaalsContact O-N 3.16Å; S2332-L2335 WeakPolarHBondContact OG-CB 3.43Å; S2332-L2335 PolarHBondContact OG-N 3.16Å; S2332-L2335 VanDerWaalsContact OG-N 3.12Å | ||
| 2333 | F | 64.6 | Low | 50.3 | Low | 71 Ų | 71 | 90.6 Ų | 90.6 | 31% | 0.311 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -82.1 | -37.3 | 179 | -63.9 | -87.4 | 0 | 0 | 0 | 111.6 | E2121 R2185 M2186 W2189 | E2121-F2333 VanDerWaalsContact OE1-CA 3.31Å; E2121-F2333 WeakPolarHBondContact OE1-CA 3.37Å; E2121-F2333 WeakPolarHBondContact OE1-CB 3.36Å; E2121-F2333 PolarHBondContact OE1-N 3.14Å; R2185-F2333 HydrophobicContact CG-CD1 3.74Å; R2185-F2333 HydrophobicContact CG-CE1 3.89Å; M2186-F2333 WeakPolarHBondContact CB-O 3.38Å; M2186-F2333 VanDerWaalsContact CG-O 3.26Å; M2186-F2333 WeakPolarHBondContact CG-O 3.28Å; W2189-F2333 HydrophobicContact CB-CB 4.07Å; W2189-F2333 HydrophobicContact CB-CD1 3.93Å; W2189-F2333 HydrophobicContact CB-CE1 4.35Å; W2189-F2333 HydrophobicContact CB-CG 4.1Å; W2189-F2333 AromaticContact CD1-CD1 3.67Å; W2189-F2333 AromaticContact CD1-CD2 3.51Å; W2189-F2333 VanDerWaalsContact CD1-CD2 3.48Å; W2189-F2333 AromaticContact CD1-CE1 3.87Å; W2189-F2333 AromaticContact CD1-CE2 3.8Å; W2189-F2333 AromaticContact CD1-CG 3.46Å; W2189-F2333 VanDerWaalsContact CD1-CG 3.45Å; W2189-F2333 AromaticContact CD1-CZ 3.95Å; W2189-F2333 HydrophobicContact CD2-CB 4.36Å; W2189-F2333 HydrophobicContact CG-CB 3.86Å; W2189-F2333 AromaticContact CG-CD1 3.88Å; W2189-F2333 HydrophobicContact CG-CD1 4.08Å; W2189-F2333 HydrophobicContact CG-CD2 4.27Å; W2189-F2333 HydrophobicContact CG-CE1 4.4Å; W2189-F2333 AromaticContact CG-CG 3.82Å; W2189-F2333 HydrophobicContact CG-CG 3.82Å; W2189-F2333 AromaticContact NE1-CD2 3.78Å; W2189-F2333 AromaticContact NE1-CE2 3.97Å |
| 2334 | L | 66.2 | Low | 49.6 | Very low | 3.75 Ų | 3.75 | 94.1 Ų | 94.1 | 2% | 0.02 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -100.4 | -32.1 | -172.4 | -60.5 | -178.9 | 0 | 0 | 0 | 113.2 | Y2117 L2120 E2121 M2186 W2189 L2190 L2224 | Y2117-L2334 HydrophobicContact CD1-CD1 4.3Å; Y2117-L2334 HydrophobicContact CD2-CB 3.76Å; Y2117-L2334 HydrophobicContact CE2-CB 4.45Å; Y2117-L2334 HydrophobicContact CG-CB 3.91Å; Y2117-L2334 HydrophobicContact CG-CD1 4.04Å; L2120-L2334 HydrophobicContact CB-CD1 4.42Å; L2120-L2334 HydrophobicContact CD1-CD1 4.47Å; E2121-L2334 HydrophobicContact CG-CD1 4.16Å; E2121-L2334 HydrophobicContact CG-CG 4.27Å; E2121-L2334 WeakPolarHBondContact OE1-CB 3.48Å; E2121-L2334 WeakPolarHBondContact OE1-CG 3.3Å; E2121-L2334 PolarHBondContact OE1-N 3.25Å; M2186-L2334 HydrophobicContact CG-CD2 3.78Å; M2186-L2334 HydrophobicContact SD-CD2 4.07Å; W2189-L2334 HydrophobicContact CD2-CD2 4.43Å; W2189-L2334 HydrophobicContact CE3-CD1 4.37Å; W2189-L2334 HydrophobicContact CE3-CD2 3.8Å; W2189-L2334 HydrophobicContact CE3-CG 4.21Å; W2189-L2334 HydrophobicContact CH2-CD1 4Å; W2189-L2334 HydrophobicContact CH2-CG 4.41Å; W2189-L2334 HydrophobicContact CZ2-CD1 4.49Å; W2189-L2334 HydrophobicContact CZ3-CD1 3.77Å; W2189-L2334 HydrophobicContact CZ3-CD2 3.92Å; W2189-L2334 HydrophobicContact CZ3-CG 4.13Å; L2190-L2334 HydrophobicContact CD2-CD2 4.07Å; L2190-L2334 HydrophobicContact CG-CD2 4.42Å; L2224-L2334 HydrophobicContact CD1-CD1 4.49Å; L2224-L2334 HydrophobicContact CD2-CD2 4.23Å |
| 2335 | L | 63.2 | Low | 49.2 | Very low | 24.5 Ų | 24.5 | 100.1 Ų | 100.1 | 13% | 0.128 | 51% | 0.512 | C | S | . | . | trans | -84.9 | 140.6 | -177.7 | -71 | 162.9 | 0 | 0 | 0 | 112.7 | A2114 Y2117 L2118 M2318 S2332 | A2114-L2335 HydrophobicContact CB-CD2 4.17Å; Y2117-L2335 HydrophobicContact CD2-CD2 4.49Å; L2118-L2335 HydrophobicContact CB-CD1 4.29Å; L2118-L2335 HydrophobicContact CD1-CD1 4.37Å; M2318-L2335 HydrophobicContact CE-CD2 3.71Å; S2332-L2335 WeakPolarHBondContact OG-CB 3.43Å; S2332-L2335 PolarHBondContact OG-N 3.16Å; S2332-L2335 VanDerWaalsContact OG-N 3.12Å | ||
| 2336 | H | 58.4 | Low | 48.8 | Very low | 67.5 Ų | 67.5 | 94.9 Ų | 94.9 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | trans | -105.4 | 114.9 | 176 | -65.1 | -25.1 | 0 | 0 | 0 | 111.2 | I2323 V2338 | I2323-H2336 WeakPolarHBondContact CD1-O 3.38Å; H2336-V2338 PolarHBondContact O-N 3.05Å; H2336-V2338 VanDerWaalsContact O-N 3.16Å | ||
| 2337 | K | 50 | Low | 48.9 | Very low | 101.25 Ų | 101.25 | 96.4 Ų | 96.4 | 44% | 0.44 | 52% | 0.517 | S | S | . | . | trans | -75.5 | 106.4 | 163.1 | -160.6 | 175.2 | -176.8 | 176.3 | 0 | 108.3 | R2182 A2328 N2339 | R2182-K2337 PolarHBondContact NH1-O 3.39Å; A2328-K2337 HydrophobicContact CB-CB 4.25Å; K2337-N2339 WeakPolarHBondContact CE-OD1 3.1Å; K2337-N2339 PolarHBondContact O-N 3.14Å | ||
| 2338 | V | 48.1 | Very low | 49.4 | Very low | 76.25 Ų | 76.25 | 98.3 Ų | 98.3 | 46% | 0.462 | 53% | 0.527 | S | S | . | . | trans | -82.5 | 103.1 | 167.5 | -175.9 | 0 | 0 | 0 | 0 | 106.3 | H2336 D2340 | H2336-V2338 PolarHBondContact O-N 3.05Å; H2336-V2338 VanDerWaalsContact O-N 3.16Å; V2338-D2340 HydrophobicContact CG1-CB 4.12Å; V2338-D2340 WeakPolarHBondContact CG1-OD1 3.36Å; V2338-D2340 WeakPolarHBondContact CG1-OD2 3.42Å; V2338-D2340 PolarHBondContact O-N 3.25Å | ||
| 2339 | N | 41.4 | Very low | 50.1 | Low | 114.5 Ų | 114.5 | 99.2 Ų | 99.2 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | trans | -68.8 | 104.4 | 164.8 | -82.4 | 7.9 | 0 | 0 | 0 | 107.4 | K2337 D2341 | K2337-N2339 WeakPolarHBondContact CE-OD1 3.1Å; K2337-N2339 PolarHBondContact O-N 3.14Å; N2339-D2341 VanDerWaalsContact C-N 3.25Å; N2339-D2341 PolarHBondContact O-N 3.35Å; N2339-D2341 VanDerWaalsContact O-N 3.14Å | ||
| 2340 | D | 39.6 | Very low | 50.9 | Low | 96.75 Ų | 96.75 | 97.9 Ų | 97.9 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | trans | -74.7 | 73.1 | 170.7 | -83.2 | -26.5 | 0 | 0 | 0 | 110.7 | K2325 V2338 S2342 I2343 | K2325-D2340 VanDerWaalsContact CE-OD2 3.24Å; K2325-D2340 WeakPolarHBondContact CE-OD2 3.35Å; K2325-D2340 IonicContact NZ-OD2 2.86Å; V2338-D2340 HydrophobicContact CG1-CB 4.12Å; V2338-D2340 WeakPolarHBondContact CG1-OD1 3.36Å; V2338-D2340 WeakPolarHBondContact CG1-OD2 3.42Å; V2338-D2340 PolarHBondContact O-N 3.25Å; D2340-S2342 PolarHBondContact O-N 3.39Å; D2340-S2342 VanDerWaalsContact O-N 3.14Å; D2340-I2343 WeakPolarHBondContact OD1-CD1 3.25Å | ||
| 2341 | D | 36.6 | Very low | 51.9 | Low | 140.5 Ų | 140.5 | 90.9 Ų | 90.9 | 75% | 0.751 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 36.1 | 167.8 | -75.1 | -24.9 | 0 | 0 | 0 | 111.2 | K2175 N2339 | K2175-D2341 VanDerWaalsContact NZ-CG 3.33Å; K2175-D2341 IonicContact NZ-OD1 3.45Å; K2175-D2341 PolarHBondContact NZ-OD1 2.68Å; K2175-D2341 VanDerWaalsContact NZ-OD1 3.15Å; K2175-D2341 IonicContact NZ-OD2 3.86Å; K2175-D2341 PolarHBondContact NZ-OD2 3.37Å; N2339-D2341 VanDerWaalsContact C-N 3.25Å; N2339-D2341 PolarHBondContact O-N 3.35Å; N2339-D2341 VanDerWaalsContact O-N 3.14Å |
| 2342 | S | 36.7 | Very low | 52.5 | Low | 63 Ų | 63 | 89 Ų | 89 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.1 | 46.5 | 176.6 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | D2340 C2344 R2430 | D2340-S2342 PolarHBondContact O-N 3.39Å; D2340-S2342 VanDerWaalsContact O-N 3.14Å; S2342-C2344 VanDerWaalsContact C-N 3.29Å; S2342-C2344 PolarHBondContact O-N 3.15Å; S2342-R2430 PolarHBondContact O-NH1 2.73Å; S2342-R2430 PolarHBondContact O-NH2 3.13Å; S2342-R2430 PolarHBondContact OG-NH2 3.27Å |
| 2343 | I | 36.2 | Very low | 52.8 | Low | 121 Ų | 121 | 89.1 Ų | 89.1 | 62% | 0.621 | 49% | 0.489 | S | S | * | . | trans | -84.7 | 84.9 | 156.3 | -53.8 | 175 | 0 | 0 | 0 | 106.2 | K2325 D2340 E2345 | K2325-I2343 VanDerWaalsContact NZ-CD1 3.31Å; D2340-I2343 WeakPolarHBondContact OD1-CD1 3.25Å; I2343-E2345 HydrophobicContact CG2-CG 4.21Å; I2343-E2345 PolarHBondContact O-N 2.94Å | ||
| 2344 | C | 35.3 | Very low | 53.5 | Low | 103.25 Ų | 103.25 | 90.5 Ų | 90.5 | 70% | 0.698 | 50% | 0.499 | S | S | * | . | trans | -67.5 | 116.9 | 150.9 | -68.7 | 0 | 0 | 0 | 0 | 105 | S2342 G2346 | S2342-C2344 VanDerWaalsContact C-N 3.29Å; S2342-C2344 PolarHBondContact O-N 3.15Å; C2344-G2346 PolarHBondContact O-N 3.08Å | ||
| 2345 | E | 36.5 | Very low | 54.2 | Low | 195 Ų | 195 | 90.8 Ų | 90.8 | 91% | 0.911 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 21.2 | 174.6 | -71.9 | -172.2 | 146.2 | 0 | 0 | 113.5 | I2343 | I2343-E2345 HydrophobicContact CG2-CG 4.21Å; I2343-E2345 PolarHBondContact O-N 2.94Å |
| 2346 | G | 40.4 | Very low | 54.9 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 48.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C2344 | C2344-G2346 PolarHBondContact O-N 3.08Š|
| 2347 | D | 47.8 | Very low | 55.8 | Low | 154 Ų | 154 | 99.2 Ų | 99.2 | 82% | 0.824 | 54% | 0.538 | S | S | * | . | trans | -80.6 | 101.3 | -177.1 | -66 | -35.4 | 0 | 0 | 0 | 113.5 | P2349 | D2347-P2349 WeakPolarHBondContact O-CD 3.48Å; D2347-P2349 VanDerWaalsContact O-N 3.13Å | ||
| 2348 | L | 57 | Low | 57.2 | Low | 154.5 Ų | 154.5 | 95.4 Ų | 95.4 | 81% | 0.809 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 125.1 | 165.9 | -78.2 | 162.2 | 0 | 0 | 0 | 108.6 | E2350 | L2348-E2350 PolarHBondContact O-N 3.12Å; L2348-E2350 VanDerWaalsContact O-N 3.11Å |
| 2349 | P | 63.4 | Low | 58.2 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 27% | 0.273 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 125.4 | -177.3 | 21 | -29.7 | 0 | 0 | 0 | 110.3 | D2347 V2506 | D2347-P2349 WeakPolarHBondContact O-CD 3.48Å; D2347-P2349 VanDerWaalsContact O-N 3.13Å; P2349-V2506 HydrophobicContact CB-CG2 4.11Å; P2349-V2506 HydrophobicContact CG-CG2 4.04Å; P2349-V2506 WeakPolarHBondContact O-CG1 3.4Å; P2349-V2506 VanDerWaalsContact O-CG2 3.31Å; P2349-V2506 WeakPolarHBondContact O-CG2 3.23Å |
| 2350 | E | 69 | Low | 59.4 | Low | 137.75 Ų | 137.75 | 88.4 Ų | 88.4 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 150.5 | 170.9 | -148.6 | 175.8 | -177.6 | 0 | 0 | 110 | L2348 V2352 G2428 | L2348-E2350 PolarHBondContact O-N 3.12Å; L2348-E2350 VanDerWaalsContact O-N 3.11Å; E2350-V2352 WeakPolarHBondContact O-CG2 3.34Å; E2350-V2352 PolarHBondContact O-N 2.97Å; E2350-G2428 VanDerWaalsContact O-CA 3.26Å; E2350-G2428 WeakPolarHBondContact O-CA 3.26Å |
| 2351 | V | 73.1 | Confident | 60.7 | Low | 30.25 Ų | 30.25 | 85.1 Ų | 85.1 | 18% | 0.183 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 117.1 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | T2353 V2506 | V2351-T2353 WeakPolarHBondContact CG1-OG1 3.21Å; V2351-V2506 HydrophobicContact CG2-CB 3.83Å; V2351-V2506 HydrophobicContact CG2-CG1 3.89Å; V2351-V2506 HydrophobicContact CG2-CG2 4.44Å |
| 2352 | V | 71.7 | Confident | 61.7 | Low | 88 Ų | 88 | 84.4 Ų | 84.4 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | trans | -104.3 | -12.9 | 179.8 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | E2350 N2354 G2427 H2429 | E2350-V2352 WeakPolarHBondContact O-CG2 3.34Å; E2350-V2352 PolarHBondContact O-N 2.97Å; V2352-N2354 PolarHBondContact O-N 3.44Å; V2352-G2427 PolarHBondContact N-O 3Å; V2352-G2427 VanDerWaalsContact N-O 3.12Å; V2352-H2429 WeakPolarHBondContact CB-ND1 3.27Å; V2352-H2429 HydrophobicContact CG2-CB 4.45Å | ||
| 2353 | T | 74.6 | Confident | 62.5 | Low | 28.75 Ų | 28.75 | 82.7 Ų | 82.7 | 18% | 0.176 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -78.5 | 133.4 | -175.7 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | V2351 G2360 G2427 | V2351-T2353 WeakPolarHBondContact CG1-OG1 3.21Å; T2353-G2360 WeakPolarHBondContact CG2-O 3.17Å; T2353-G2427 VanDerWaalsContact CG2-CA 3.46Å; T2353-G2427 VanDerWaalsContact CG2-O 3.28Å; T2353-G2427 WeakPolarHBondContact CG2-O 3.3Å; T2353-G2427 PolarHBondContact N-O 3Å; T2353-G2427 WeakPolarHBondContact OG1-CA 3.44Å; T2353-G2427 PolarHBondContact OG1-N 3.06Å; T2353-G2427 PolarHBondContact OG1-O 3.39Å |
| 2354 | N | 79.3 | Confident | 62.9 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | trans | -64.2 | 141.6 | 172.1 | -73.9 | -3.5 | 0 | 0 | 0 | 110.4 | V2352 E2356 K2357 | V2352-N2354 PolarHBondContact O-N 3.44Å; N2354-E2356 VanDerWaalsContact C-N 3.29Å; N2354-E2356 PolarHBondContact O-N 3.12Å; N2354-E2356 VanDerWaalsContact O-N 3.15Å; N2354-K2357 PolarHBondContact O-N 3.09Å | ||
| 2355 | P | 79.9 | Confident | 63.4 | Low | 10.75 Ų | 10.75 | 78.7 Ų | 78.7 | 7% | 0.07 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -55.1 | -34.9 | -179.6 | -29.6 | 37.8 | 0 | 0 | 0 | 114.6 | K2357 W2358 A2417 F2420 I2589 | P2355-K2357 PolarHBondContact O-N 2.99Å; P2355-K2357 VanDerWaalsContact O-N 3.13Å; P2355-W2358 VanDerWaalsContact O-CB 3.23Å; P2355-W2358 WeakPolarHBondContact O-CB 3.43Å; P2355-W2358 PolarHBondContact O-N 3.24Å; P2355-W2358 VanDerWaalsContact O-N 3.1Å; P2355-A2417 HydrophobicContact CG-CB 4.24Å; P2355-F2420 HydrophobicContact CB-CB 4.38Å; P2355-F2420 HydrophobicContact CB-CD1 3.64Å; P2355-F2420 HydrophobicContact CB-CD2 4.01Å; P2355-F2420 HydrophobicContact CB-CE1 3.82Å; P2355-F2420 HydrophobicContact CB-CE2 4.17Å; P2355-F2420 HydrophobicContact CB-CG 3.74Å; P2355-F2420 HydrophobicContact CB-CZ 4.09Å; P2355-F2420 HydrophobicContact CG-CB 3.95Å; P2355-F2420 HydrophobicContact CG-CD1 3.82Å; P2355-F2420 HydrophobicContact CG-CD2 4.48Å; P2355-F2420 HydrophobicContact CG-CE1 4.41Å; P2355-F2420 HydrophobicContact CG-CG 3.83Å; P2355-I2589 HydrophobicContact CB-CG2 4.14Å; P2355-I2589 WeakPolarHBondContact CB-O 3.37Å; P2355-I2589 HydrophobicContact CG-CG2 3.75Å |
| 2356 | E | 78.6 | Confident | 63.8 | Low | 114.25 Ų | 114.25 | 76.6 Ų | 76.6 | 53% | 0.534 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -58.9 | -26.3 | 176.2 | -48.1 | -176.7 | 158.5 | 0 | 0 | 113.5 | N2354 A2590 G2591 | N2354-E2356 VanDerWaalsContact C-N 3.29Å; N2354-E2356 PolarHBondContact O-N 3.12Å; N2354-E2356 VanDerWaalsContact O-N 3.15Å; E2356-A2590 WeakPolarHBondContact CA-O 3.37Å; E2356-G2591 WeakPolarHBondContact OE1-CA 3.42Å |
| 2357 | K | 76.6 | Confident | 64.1 | Low | 153.75 Ų | 153.75 | 76.3 Ų | 76.3 | 67% | 0.668 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -103.3 | 13.3 | -178.8 | -62.9 | -175.6 | -179.2 | 177.8 | 0 | 112.5 | N2354 P2355 G2360 | N2354-K2357 PolarHBondContact O-N 3.09Å; P2355-K2357 PolarHBondContact O-N 2.99Å; P2355-K2357 VanDerWaalsContact O-N 3.13Å; K2357-G2360 VanDerWaalsContact O-CA 3.25Å; K2357-G2360 WeakPolarHBondContact O-CA 3.3Å; K2357-G2360 PolarHBondContact O-N 3.16Å |
| 2358 | W | 79.7 | Confident | 64.1 | Low | 20.25 Ų | 20.25 | 71.8 Ų | 71.8 | 8% | 0.077 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 138.9 | 178.9 | -172.6 | 94.3 | 0 | 0 | 0 | 110.7 | F2249 M2252 L2315 P2355 L2379 L2380 L2383 F2420 G2425 W2505 | F2249-W2358 AromaticContact CE1-CH2 3.99Å; F2249-W2358 HydrophobicContact CE1-CH2 4.26Å; F2249-W2358 AromaticContact CE1-CZ2 3.95Å; F2249-W2358 HydrophobicContact CE1-CZ2 4.17Å; F2249-W2358 AromaticContact CE2-CH2 3.9Å; F2249-W2358 HydrophobicContact CE2-CH2 4.11Å; F2249-W2358 HydrophobicContact CE2-CZ2 4.23Å; F2249-W2358 AromaticContact CZ-CH2 3.43Å; F2249-W2358 HydrophobicContact CZ-CH2 3.43Å; F2249-W2358 AromaticContact CZ-CZ2 3.54Å; F2249-W2358 HydrophobicContact CZ-CZ2 3.54Å; F2249-W2358 VanDerWaalsContact CZ-CZ2 3.49Å; F2249-W2358 HydrophobicContact CZ-CZ3 4.22Å; M2252-W2358 HydrophobicContact CG-CH2 4.3Å; M2252-W2358 HydrophobicContact SD-CH2 3.98Å; M2252-W2358 HydrophobicContact SD-CZ3 3.94Å; L2315-W2358 HydrophobicContact CD2-CH2 4.49Å; L2315-W2358 HydrophobicContact CD2-CZ2 4.26Å; P2355-W2358 VanDerWaalsContact O-CB 3.23Å; P2355-W2358 WeakPolarHBondContact O-CB 3.43Å; P2355-W2358 PolarHBondContact O-N 3.24Å; P2355-W2358 VanDerWaalsContact O-N 3.1Å; W2358-L2379 HydrophobicContact CH2-CB 4.42Å; W2358-L2379 HydrophobicContact CH2-CD1 4.49Å; W2358-L2379 HydrophobicContact CZ3-CB 3.77Å; W2358-L2379 HydrophobicContact CZ3-CD1 4.19Å; W2358-L2380 HydrophobicContact CB-CD1 4.16Å; W2358-L2383 HydrophobicContact CD2-CD1 3.92Å; W2358-L2383 HydrophobicContact CE3-CD1 3.98Å; W2358-L2383 HydrophobicContact CH2-CD1 3.53Å; W2358-L2383 HydrophobicContact CH2-CG 4.37Å; W2358-L2383 HydrophobicContact CZ2-CD1 3.46Å; W2358-L2383 VanDerWaalsContact CZ2-CD1 3.46Å; W2358-L2383 HydrophobicContact CZ3-CD1 3.82Å; W2358-L2383 HydrophobicContact CZ3-CG 4.48Å; W2358-F2420 HydrophobicContact CB-CE1 4.16Å; W2358-F2420 HydrophobicContact CB-CZ 4.43Å; W2358-F2420 AromaticContact CD1-CE1 3.62Å; W2358-F2420 AromaticContact CG-CE1 3.94Å; W2358-F2420 HydrophobicContact CG-CE1 3.98Å; W2358-F2420 HydrophobicContact CG-CZ 4.35Å; W2358-G2425 PolarHBondContact NE1-O 2.95Å; W2358-W2505 AromaticContact CE2-CH2 3.84Å; W2358-W2505 AromaticContact CE2-CZ3 3.89Å; W2358-W2505 AromaticContact CZ2-CH2 3.63Å; W2358-W2505 HydrophobicContact CZ2-CH2 3.63Å; W2358-W2505 AromaticContact CZ2-CZ3 3.98Å; W2358-W2505 HydrophobicContact CZ2-CZ3 4.08Å; W2358-W2505 AromaticContact NE1-CH2 3.61Å; W2358-W2505 AromaticContact NE1-CZ3 3.75Å |
| 2359 | P | 69.6 | Low | 63.6 | Low | 25.25 Ų | 25.25 | 68.1 Ų | 68.1 | 16% | 0.164 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -80.7 | -7.6 | 8.5 | 31.8 | -35.9 | 0 | 0 | 0 | 115.2 | F2249 M2252 V2361 G2426 G2427 W2505 | F2249-P2359 HydrophobicContact CE1-CB 3.99Å; F2249-P2359 HydrophobicContact CE1-CG 4.4Å; F2249-P2359 HydrophobicContact CZ-CB 4.35Å; M2252-P2359 HydrophobicContact CE-CB 3.94Å; M2252-P2359 HydrophobicContact CE-CG 3.87Å; M2252-P2359 VanDerWaalsContact CE-CG 3.45Å; M2252-P2359 HydrophobicContact SD-CB 4.13Å; M2252-P2359 HydrophobicContact SD-CG 3.97Å; P2359-V2361 VanDerWaalsContact C-N 3.28Å; P2359-V2361 PolarHBondContact O-N 3Å; P2359-V2361 VanDerWaalsContact O-N 3.16Å; P2359-G2426 CarbonylContact O-C 3.59Å; P2359-G2427 PolarHBondContact O-N 3.22Å; P2359-W2505 HydrophobicContact CB-CE3 4.3Å; P2359-W2505 HydrophobicContact CB-CZ3 3.81Å |
| 2360 | G | 65.8 | Low | 62.8 | Low | 20 Ų | 20 | 68.8 Ų | 68.8 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | trans | 70.8 | 14.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | T2353 K2357 | T2353-G2360 WeakPolarHBondContact CG2-O 3.17Å; K2357-G2360 VanDerWaalsContact O-CA 3.25Å; K2357-G2360 WeakPolarHBondContact O-CA 3.3Å; K2357-G2360 PolarHBondContact O-N 3.16Å | ||
| 2361 | V | 66.1 | Low | 61.7 | Low | 27.25 Ų | 27.25 | 67.9 Ų | 67.9 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -97.7 | 141.6 | 173.7 | -177 | 0 | 0 | 0 | 0 | 109.1 | P2359 C2363 W2505 | P2359-V2361 VanDerWaalsContact C-N 3.28Å; P2359-V2361 PolarHBondContact O-N 3Å; P2359-V2361 VanDerWaalsContact O-N 3.16Å; V2361-C2363 VanDerWaalsContact C-N 3.26Å; V2361-C2363 PolarHBondContact O-N 3.14Å; V2361-W2505 HydrophobicContact CG2-CB 4.29Å; V2361-W2505 HydrophobicContact CG2-CE3 4.29Å |
| 2362 | D | 58.7 | Low | 60.5 | Low | 125 Ų | 125 | 74.9 Ų | 74.9 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | trans | -68.4 | 69.4 | 176.1 | -66.6 | -42.3 | 0 | 0 | 0 | 111.8 | S2364 T2503 | D2362-S2364 PolarHBondContact O-N 3.31Å; D2362-T2503 VanDerWaalsContact CG-OG1 3.23Å; D2362-T2503 PolarHBondContact N-OG1 2.93Å; D2362-T2503 PolarHBondContact OD2-OG1 3.04Å | ||
| 2363 | C | 53.6 | Low | 59.7 | Low | 28 Ų | 28 | 74.8 Ų | 74.8 | 19% | 0.189 | 41% | 0.409 | C | S | . | . | trans | -76.4 | 124 | 164.3 | -65.3 | 0 | 0 | 0 | 0 | 107.4 | L2243 V2361 P2365 L2368 | L2243-C2363 HydrophobicContact CD2-CB 4.34Å; V2361-C2363 VanDerWaalsContact C-N 3.26Å; V2361-C2363 PolarHBondContact O-N 3.14Å; C2363-P2365 VanDerWaalsContact O-N 3.16Å; C2363-L2368 HydrophobicContact CB-CD1 3.71Å; C2363-L2368 VanDerWaalsContact CB-CD1 3.5Å; C2363-L2368 HydrophobicContact CB-CG 4.31Å | ||
| 2364 | S | 44.5 | Very low | 58.7 | Low | 44.25 Ų | 44.25 | 82.6 Ų | 82.6 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | trans | -52.1 | 130 | 178.5 | 91 | 0 | 0 | 0 | 0 | 109.7 | D2362 H2366 T2367 L2368 | D2362-S2364 PolarHBondContact O-N 3.31Å; S2364-H2366 PolarHBondContact O-N 3.21Å; S2364-H2366 VanDerWaalsContact O-N 3.08Å; S2364-H2366 PolarHBondContact OG-CD2 3.29Å; S2364-H2366 PolarHBondContact OG-N 2.95Å; S2364-T2367 PolarHBondContact O-N 3.16Å; S2364-T2367 PolarHBondContact O-OG1 3.01Å; S2364-T2367 VanDerWaalsContact O-OG1 3.09Å; S2364-T2367 PolarHBondContact OG-N 3.29Å; S2364-T2367 PolarHBondContact OG-OG1 3.38Å; S2364-T2367 VanDerWaalsContact OG-OG1 3.13Å; S2364-L2368 PolarHBondContact O-N 3.15Å | ||
| 2365 | P | 45 | Very low | 57.8 | Low | 95.25 Ų | 95.25 | 84.9 Ų | 84.9 | 62% | 0.619 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.6 | -28.7 | -177.3 | 19.9 | -31.5 | 0 | 0 | 0 | 111.8 | C2363 T2367 L2368 S2369 | C2363-P2365 VanDerWaalsContact O-N 3.16Å; P2365-T2367 VanDerWaalsContact C-N 3.32Å; P2365-T2367 PolarHBondContact O-N 2.98Å; P2365-L2368 CarbonylContact O-C 3.51Å; P2365-L2368 PolarHBondContact O-N 3.25Å; P2365-L2368 VanDerWaalsContact O-N 3.14Å; P2365-S2369 VanDerWaalsContact C-OG 3.28Å; P2365-S2369 WeakPolarHBondContact O-CB 3.36Å; P2365-S2369 PolarHBondContact O-N 3.17Å; P2365-S2369 PolarHBondContact O-OG 3.15Å |
| 2366 | H | 45.3 | Very low | 57.1 | Low | 151 Ų | 151 | 87.3 Ų | 87.3 | 70% | 0.699 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.1 | -30.3 | 174.7 | -75.4 | -63 | 0 | 0 | 0 | 114.7 | S2364 L2368 S2369 G2370 | S2364-H2366 PolarHBondContact O-N 3.21Å; S2364-H2366 VanDerWaalsContact O-N 3.08Å; S2364-H2366 PolarHBondContact OG-CD2 3.29Å; S2364-H2366 PolarHBondContact OG-N 2.95Å; H2366-L2368 VanDerWaalsContact C-N 3.35Å; H2366-S2369 WeakPolarHBondContact CA-OG 3.45Å; H2366-G2370 VanDerWaalsContact O-CA 3.29Å; H2366-G2370 WeakPolarHBondContact O-CA 3.3Å; H2366-G2370 PolarHBondContact O-N 3.26Å; H2366-G2370 VanDerWaalsContact O-N 3.13Å |
| 2367 | T | 47.3 | Very low | 56.5 | Low | 52 Ų | 52 | 83.9 Ų | 83.9 | 32% | 0.319 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -81.9 | -28.8 | 175.5 | 35.9 | 0 | 0 | 0 | 0 | 112.2 | L2243 S2364 P2365 | L2243-T2367 HydrophobicContact CD1-CG2 4.32Å; S2364-T2367 PolarHBondContact O-N 3.16Å; S2364-T2367 PolarHBondContact O-OG1 3.01Å; S2364-T2367 VanDerWaalsContact O-OG1 3.09Å; S2364-T2367 PolarHBondContact OG-N 3.29Å; S2364-T2367 PolarHBondContact OG-OG1 3.38Å; S2364-T2367 VanDerWaalsContact OG-OG1 3.13Å; P2365-T2367 VanDerWaalsContact C-N 3.32Å; P2365-T2367 PolarHBondContact O-N 2.98Å |
| 2368 | L | 46.9 | Very low | 56.6 | Low | 60.25 Ų | 60.25 | 81.1 Ų | 81.1 | 32% | 0.315 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -82.6 | -23 | 175.2 | -86.9 | 148.9 | 0 | 0 | 0 | 113.4 | L2256 C2363 S2364 P2365 H2366 R2372 | L2256-L2368 HydrophobicContact CD2-CD2 4.4Å; L2256-L2368 HydrophobicContact CD2-CG 4.44Å; C2363-L2368 HydrophobicContact CB-CD1 3.71Å; C2363-L2368 VanDerWaalsContact CB-CD1 3.5Å; C2363-L2368 HydrophobicContact CB-CG 4.31Å; S2364-L2368 PolarHBondContact O-N 3.15Å; P2365-L2368 CarbonylContact O-C 3.51Å; P2365-L2368 PolarHBondContact O-N 3.25Å; P2365-L2368 VanDerWaalsContact O-N 3.14Å; H2366-L2368 VanDerWaalsContact C-N 3.35Å; L2368-R2372 WeakPolarHBondContact O-CD 3.35Å; L2368-R2372 VanDerWaalsContact O-CG 3.23Å; L2368-R2372 WeakPolarHBondContact O-CG 3.36Å; L2368-R2372 PolarHBondContact O-NE 3.12Å; L2368-R2372 VanDerWaalsContact O-NE 3.09Å |
| 2369 | S | 46.8 | Very low | 56.7 | Low | 76 Ų | 76 | 80.9 Ų | 80.9 | 53% | 0.531 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -107.1 | -17 | -177.3 | 67 | 0 | 0 | 0 | 0 | 113.9 | P2365 H2366 D2371 | P2365-S2369 VanDerWaalsContact C-OG 3.28Å; P2365-S2369 WeakPolarHBondContact O-CB 3.36Å; P2365-S2369 PolarHBondContact O-N 3.17Å; P2365-S2369 PolarHBondContact O-OG 3.15Å; H2366-S2369 WeakPolarHBondContact CA-OG 3.45Å; S2369-D2371 VanDerWaalsContact C-N 3.33Å; S2369-D2371 PolarHBondContact O-N 3.04Å |
| 2370 | G | 47.1 | Very low | 57.4 | Low | 56 Ų | 56 | 80.3 Ų | 80.3 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -73.9 | -20.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H2366 | H2366-G2370 VanDerWaalsContact O-CA 3.29Å; H2366-G2370 WeakPolarHBondContact O-CA 3.3Å; H2366-G2370 PolarHBondContact O-N 3.26Å; H2366-G2370 VanDerWaalsContact O-N 3.13Å |
| 2371 | D | 45.8 | Very low | 58.5 | Low | 119 Ų | 119 | 80.4 Ų | 80.4 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -154.3 | 39.6 | -172.1 | -123.6 | 6.7 | 0 | 0 | 0 | 111.6 | S2258 S2369 D2373 | S2258-D2371 WeakPolarHBondContact CB-OD2 3.37Å; S2258-D2371 PolarHBondContact OG-OD2 2.95Å; S2369-D2371 VanDerWaalsContact C-N 3.33Å; S2369-D2371 PolarHBondContact O-N 3.04Å; D2371-D2373 VanDerWaalsContact C-N 3.33Å; D2371-D2373 PolarHBondContact O-N 3.16Å |
| 2372 | R | 48.5 | Very low | 59.6 | Low | 177.25 Ų | 177.25 | 79.3 Ų | 79.3 | 67% | 0.669 | 44% | 0.436 | S | S | * | . | trans | -70.1 | 103.1 | 170.9 | -70.3 | -170.3 | -179.8 | -163.8 | -3 | 108.2 | L2368 E2374 | L2368-R2372 WeakPolarHBondContact O-CD 3.35Å; L2368-R2372 VanDerWaalsContact O-CG 3.23Å; L2368-R2372 WeakPolarHBondContact O-CG 3.36Å; L2368-R2372 PolarHBondContact O-NE 3.12Å; L2368-R2372 VanDerWaalsContact O-NE 3.09Å; R2372-E2374 PolarHBondContact O-N 3.17Å | ||
| 2373 | D | 53.2 | Low | 61 | Low | 85.75 Ų | 85.75 | 73.5 Ų | 73.5 | 46% | 0.459 | 40% | 0.404 | S | S | . | . | trans | -56.4 | 131.8 | 152.1 | -96.8 | -29.9 | 0 | 0 | 0 | 106.9 | D2371 D2375 V2376 | D2371-D2373 VanDerWaalsContact C-N 3.33Å; D2371-D2373 PolarHBondContact O-N 3.16Å; D2373-D2375 PolarHBondContact O-N 2.95Å; D2373-D2375 VanDerWaalsContact O-N 3.08Å; D2373-V2376 HydrophobicContact CB-CG2 4.06Å; D2373-V2376 WeakPolarHBondContact O-CG2 3.36Å; D2373-V2376 PolarHBondContact O-N 3.12Å; D2373-V2376 VanDerWaalsContact O-N 3.08Å | ||
| 2374 | E | 55.4 | Low | 62.9 | Low | 192.5 Ų | 192.5 | 72.2 Ų | 72.2 | 90% | 0.9 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -19 | 178.9 | -68.9 | -96.2 | 157.7 | 0 | 0 | 112 | R2372 | R2372-E2374 PolarHBondContact O-N 3.17Š|
| 2375 | D | 60.1 | Low | 65.2 | Low | 150 Ų | 150 | 71.5 Ų | 71.5 | 80% | 0.802 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.5 | 180 | -63.7 | -32.1 | 0 | 0 | 0 | 114.7 | D2373 P2377 | D2373-D2375 PolarHBondContact O-N 2.95Å; D2373-D2375 VanDerWaalsContact O-N 3.08Å; D2375-P2377 VanDerWaalsContact O-CD 3.29Å; D2375-P2377 WeakPolarHBondContact O-CD 3.37Å |
| 2376 | V | 63.6 | Low | 67.5 | Low | 60.5 Ų | 60.5 | 67 Ų | 67 | 37% | 0.367 | 36% | 0.358 | S | S | . | . | trans | -75.4 | 116.3 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | L2267 D2373 | L2267-V2376 HydrophobicContact CD2-CG1 4.23Å; D2373-V2376 HydrophobicContact CB-CG2 4.06Å; D2373-V2376 WeakPolarHBondContact O-CG2 3.36Å; D2373-V2376 PolarHBondContact O-N 3.12Å; D2373-V2376 VanDerWaalsContact O-N 3.08Å | ||
| 2377 | P | 66.8 | Low | 69.8 | Low | 41.75 Ų | 41.75 | 59.9 Ų | 59.9 | 27% | 0.271 | 33% | 0.325 | S | S | . | . | trans | -66 | 148.3 | -179 | 29.1 | -36.1 | 0 | 0 | 0 | 110.7 | L2267 I2271 D2375 L2379 | L2267-P2377 HydrophobicContact CD1-CG 4.47Å; L2267-P2377 HydrophobicContact CD2-CG 4.07Å; L2267-P2377 HydrophobicContact CG-CG 4.35Å; I2271-P2377 HydrophobicContact CD1-CB 4.38Å; I2271-P2377 HydrophobicContact CD1-CG 3.66Å; I2271-P2377 HydrophobicContact CG1-CG 4.27Å; D2375-P2377 VanDerWaalsContact O-CD 3.29Å; D2375-P2377 WeakPolarHBondContact O-CD 3.37Å; P2377-L2379 PolarHBondContact O-N 3.34Å | ||
| 2378 | N | 78 | Confident | 72.1 | Confident | 95.75 Ų | 95.75 | 57.5 Ų | 57.5 | 51% | 0.512 | 31% | 0.311 | S | S | . | . | trans | -62.6 | 111.6 | 167.4 | -175.4 | -7.9 | 0 | 0 | 0 | 108.6 | L2380 V2381 L2382 | N2378-L2380 PolarHBondContact O-N 3.33Å; N2378-L2380 VanDerWaalsContact O-N 3.13Å; N2378-L2380 PolarHBondContact OD1-N 3.12Å; N2378-V2381 HydrophobicContact CB-CB 4.16Å; N2378-V2381 HydrophobicContact CB-CG2 3.81Å; N2378-V2381 WeakPolarHBondContact O-CA 3.42Å; N2378-V2381 WeakPolarHBondContact O-CB 3.39Å; N2378-V2381 PolarHBondContact O-N 3.1Å; N2378-L2382 PolarHBondContact O-N 3.34Å | ||
| 2379 | L | 81.6 | Confident | 74.4 | Confident | 16.75 Ų | 16.75 | 54.6 Ų | 54.6 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.6 | -35.6 | -176.5 | -73 | 176.2 | 0 | 0 | 0 | 112.7 | L2251 M2252 S2255 L2267 W2358 P2377 V2381 L2382 L2383 | L2251-L2379 HydrophobicContact CD2-CD2 4.44Å; L2251-L2379 HydrophobicContact CG-CD2 4.29Å; M2252-L2379 HydrophobicContact CE-CD1 3.88Å; M2252-L2379 HydrophobicContact CG-CD1 4.1Å; M2252-L2379 VanDerWaalsContact CG-CD1 3.46Å; M2252-L2379 HydrophobicContact SD-CD1 3.33Å; M2252-L2379 VanDerWaalsContact SD-CD1 3.5Å; M2252-L2379 WeakPolarHBondContact SD-CD1 3.39Å; S2255-L2379 WeakPolarHBondContact OG-CD1 3.33Å; L2267-L2379 HydrophobicContact CD1-CD2 3.78Å; W2358-L2379 HydrophobicContact CH2-CB 4.42Å; W2358-L2379 HydrophobicContact CH2-CD1 4.49Å; W2358-L2379 HydrophobicContact CZ3-CB 3.77Å; W2358-L2379 HydrophobicContact CZ3-CD1 4.19Å; P2377-L2379 PolarHBondContact O-N 3.34Å; L2379-V2381 VanDerWaalsContact C-N 3.32Å; L2379-V2381 PolarHBondContact O-N 3.03Å; L2379-L2382 HydrophobicContact CD2-CD2 4.48Å; L2379-L2382 PolarHBondContact O-N 3.12Å; L2379-L2383 VanDerWaalsContact O-CG 3.31Å; L2379-L2383 WeakPolarHBondContact O-CG 3.34Å; L2379-L2383 PolarHBondContact O-N 3.3Å |
| 2380 | L | 86.1 | Confident | 76.7 | Confident | 12.5 Ų | 12.5 | 51 Ų | 51 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.6 | -179.2 | 61.3 | 0 | 0 | 0 | 111.3 | W2358 N2378 L2383 V2384 F2420 F2592 | W2358-L2380 HydrophobicContact CB-CD1 4.16Å; N2378-L2380 PolarHBondContact O-N 3.33Å; N2378-L2380 VanDerWaalsContact O-N 3.13Å; N2378-L2380 PolarHBondContact OD1-N 3.12Å; L2380-L2383 PolarHBondContact O-N 3.23Å; L2380-V2384 HydrophobicContact CD1-CG2 4.45Å; L2380-V2384 WeakPolarHBondContact O-CB 3.24Å; L2380-V2384 VanDerWaalsContact O-CG2 3.3Å; L2380-V2384 WeakPolarHBondContact O-CG2 3.31Å; L2380-V2384 PolarHBondContact O-N 3.23Å; L2380-V2384 VanDerWaalsContact O-N 3.08Å; L2380-F2420 HydrophobicContact CD1-CE2 4.26Å; L2380-F2420 HydrophobicContact CD1-CZ 3.72Å; L2380-F2592 HydrophobicContact CD2-CE2 4.29Å; L2380-F2592 HydrophobicContact CD2-CZ 4Å; L2380-F2592 HydrophobicContact CG-CE2 4.09Å; L2380-F2592 HydrophobicContact CG-CZ 3.99Å |
| 2381 | V | 87.6 | Confident | 79 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | N2378 L2379 L2383 V2384 E2385 F2592 I2600 | N2378-V2381 HydrophobicContact CB-CB 4.16Å; N2378-V2381 HydrophobicContact CB-CG2 3.81Å; N2378-V2381 WeakPolarHBondContact O-CA 3.42Å; N2378-V2381 WeakPolarHBondContact O-CB 3.39Å; N2378-V2381 PolarHBondContact O-N 3.1Å; L2379-V2381 VanDerWaalsContact C-N 3.32Å; L2379-V2381 PolarHBondContact O-N 3.03Å; V2381-L2383 VanDerWaalsContact C-N 3.34Å; V2381-L2383 PolarHBondContact O-N 3.29Å; V2381-V2384 PolarHBondContact O-N 2.98Å; V2381-V2384 VanDerWaalsContact O-N 3.14Å; V2381-E2385 HydrophobicContact CG1-CG 4.27Å; V2381-E2385 WeakPolarHBondContact O-CB 3.31Å; V2381-E2385 WeakPolarHBondContact O-CG 3.43Å; V2381-E2385 PolarHBondContact O-N 3.31Å; V2381-F2592 HydrophobicContact CG2-CE1 4.08Å; V2381-F2592 HydrophobicContact CG2-CE2 4.49Å; V2381-F2592 HydrophobicContact CG2-CZ 3.66Å; V2381-I2600 HydrophobicContact CG1-CG2 4.32Å; V2381-I2600 HydrophobicContact CG2-CG2 3.68Å |
| 2382 | L | 88.6 | Confident | 81.3 | Confident | 4.25 Ų | 4.25 | 43.2 Ų | 43.2 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 177.5 | -179.5 | 62 | 0 | 0 | 0 | 112.3 | L2267 V2270 I2271 T2274 N2378 L2379 V2384 E2385 S2386 | L2267-L2382 HydrophobicContact CD1-CD2 3.44Å; L2267-L2382 VanDerWaalsContact CD1-CD2 3.47Å; L2267-L2382 HydrophobicContact CG-CD2 4.36Å; V2270-L2382 HydrophobicContact CG1-CD1 4.28Å; V2270-L2382 HydrophobicContact CG1-CD2 4.13Å; V2270-L2382 HydrophobicContact CG1-CG 4.32Å; I2271-L2382 HydrophobicContact CB-CD1 4.43Å; I2271-L2382 HydrophobicContact CG1-CD1 3.77Å; I2271-L2382 HydrophobicContact CG1-CD2 3.94Å; I2271-L2382 HydrophobicContact CG1-CG 4.43Å; T2274-L2382 HydrophobicContact CG2-CD1 4.35Å; N2378-L2382 PolarHBondContact O-N 3.34Å; L2379-L2382 HydrophobicContact CD2-CD2 4.48Å; L2379-L2382 PolarHBondContact O-N 3.12Å; L2382-V2384 VanDerWaalsContact C-N 3.33Å; L2382-V2384 PolarHBondContact O-N 2.88Å; L2382-E2385 PolarHBondContact O-N 3.14Å; L2382-S2386 VanDerWaalsContact O-CB 3.25Å; L2382-S2386 WeakPolarHBondContact O-CB 3.44Å; L2382-S2386 PolarHBondContact O-N 3.26Å; L2382-S2386 PolarHBondContact O-OG 3.11Å |
| 2383 | L | 90.1 | Very high | 83.4 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.3 | -71.4 | -176.7 | 0 | 0 | 0 | 111.8 | L2251 M2311 L2315 W2358 L2379 L2380 V2381 S2386 W2387 F2424 | L2251-L2383 HydrophobicContact CD2-CD2 4.33Å; M2311-L2383 HydrophobicContact CE-CD2 3.41Å; M2311-L2383 HydrophobicContact SD-CD2 4.32Å; L2315-L2383 HydrophobicContact CD1-CD2 4.36Å; W2358-L2383 HydrophobicContact CD2-CD1 3.92Å; W2358-L2383 HydrophobicContact CE3-CD1 3.98Å; W2358-L2383 HydrophobicContact CH2-CD1 3.53Å; W2358-L2383 HydrophobicContact CH2-CG 4.37Å; W2358-L2383 HydrophobicContact CZ2-CD1 3.46Å; W2358-L2383 VanDerWaalsContact CZ2-CD1 3.46Å; W2358-L2383 HydrophobicContact CZ3-CD1 3.82Å; W2358-L2383 HydrophobicContact CZ3-CG 4.48Å; L2379-L2383 VanDerWaalsContact O-CG 3.31Å; L2379-L2383 WeakPolarHBondContact O-CG 3.34Å; L2379-L2383 PolarHBondContact O-N 3.3Å; L2380-L2383 PolarHBondContact O-N 3.23Å; V2381-L2383 VanDerWaalsContact C-N 3.34Å; V2381-L2383 PolarHBondContact O-N 3.29Å; L2383-S2386 VanDerWaalsContact C-OG 3.3Å; L2383-S2386 VanDerWaalsContact CA-OG 3.26Å; L2383-S2386 WeakPolarHBondContact CA-OG 3.28Å; L2383-S2386 PolarHBondContact O-N 3.1Å; L2383-S2386 PolarHBondContact O-OG 3.43Å; L2383-W2387 WeakPolarHBondContact O-CB 3.41Å; L2383-W2387 PolarHBondContact O-N 3.09Å; L2383-F2424 HydrophobicContact CB-CD2 4.38Å; L2383-F2424 HydrophobicContact CB-CE1 4.2Å; L2383-F2424 HydrophobicContact CB-CE2 4.06Å; L2383-F2424 HydrophobicContact CB-CZ 3.91Å; L2383-F2424 HydrophobicContact CD1-CB 4.31Å; L2383-F2424 HydrophobicContact CD1-CD1 4.24Å; L2383-F2424 HydrophobicContact CD1-CD2 4.34Å; L2383-F2424 HydrophobicContact CD1-CE1 4.5Å; L2383-F2424 HydrophobicContact CD1-CG 4.07Å; L2383-F2424 HydrophobicContact CD2-CD1 3.91Å; L2383-F2424 HydrophobicContact CD2-CE1 3.87Å; L2383-F2424 HydrophobicContact CD2-CG 4.42Å; L2383-F2424 HydrophobicContact CD2-CZ 4.39Å; L2383-F2424 HydrophobicContact CG-CD1 4.45Å; L2383-F2424 HydrophobicContact CG-CE1 4.44Å; L2383-F2424 VanDerWaalsContact O-CZ 3.27Å; L2383-F2424 WeakPolarHBondContact O-CZ 3.3Å |
| 2384 | V | 91.7 | Very high | 85.4 | Confident | 1.5 Ų | 1.5 | 30.7 Ų | 30.7 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.2 | -42.8 | 178.7 | 171 | 0 | 0 | 0 | 0 | 111.5 | L2380 V2381 L2382 S2386 W2387 A2388 F2586 L2587 A2590 F2592 I2604 | L2380-V2384 HydrophobicContact CD1-CG2 4.45Å; L2380-V2384 WeakPolarHBondContact O-CB 3.24Å; L2380-V2384 VanDerWaalsContact O-CG2 3.3Å; L2380-V2384 WeakPolarHBondContact O-CG2 3.31Å; L2380-V2384 PolarHBondContact O-N 3.23Å; L2380-V2384 VanDerWaalsContact O-N 3.08Å; V2381-V2384 PolarHBondContact O-N 2.98Å; V2381-V2384 VanDerWaalsContact O-N 3.14Å; L2382-V2384 VanDerWaalsContact C-N 3.33Å; L2382-V2384 PolarHBondContact O-N 2.88Å; V2384-S2386 VanDerWaalsContact C-N 3.32Å; V2384-S2386 PolarHBondContact O-N 3.49Å; V2384-W2387 PolarHBondContact O-N 3.33Å; V2384-A2388 WeakPolarHBondContact O-CB 3.35Å; V2384-A2388 PolarHBondContact O-N 3.1Å; V2384-F2586 HydrophobicContact CB-CE1 4.43Å; V2384-F2586 HydrophobicContact CG1-CD1 4.41Å; V2384-F2586 HydrophobicContact CG1-CE1 4.4Å; V2384-F2586 HydrophobicContact CG2-CD1 4.49Å; V2384-F2586 HydrophobicContact CG2-CE1 4.03Å; V2384-L2587 HydrophobicContact CG1-CD2 3.41Å; V2384-L2587 VanDerWaalsContact CG1-CD2 3.44Å; V2384-A2590 HydrophobicContact CG2-CB 3.74Å; V2384-F2592 HydrophobicContact CB-CE2 4.44Å; V2384-F2592 HydrophobicContact CG2-CD2 4.43Å; V2384-F2592 HydrophobicContact CG2-CE2 3.96Å; V2384-I2604 HydrophobicContact CG1-CD1 3.85Å |
| 2385 | E | 93.1 | Very high | 87.2 | Confident | 30 Ų | 30 | 21.7 Ų | 21.7 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 173.4 | -74.3 | -174.9 | 164.4 | 0 | 0 | 111.6 | T2274 L2278 V2381 L2382 W2387 A2388 A2389 S2601 I2604 | T2274-E2385 VanDerWaalsContact CG2-C 3.48Å; T2274-E2385 HydrophobicContact CG2-CB 3.71Å; L2278-E2385 HydrophobicContact CD1-CB 4.03Å; L2278-E2385 HydrophobicContact CD1-CG 4.23Å; V2381-E2385 HydrophobicContact CG1-CG 4.27Å; V2381-E2385 WeakPolarHBondContact O-CB 3.31Å; V2381-E2385 WeakPolarHBondContact O-CG 3.43Å; V2381-E2385 PolarHBondContact O-N 3.31Å; L2382-E2385 PolarHBondContact O-N 3.14Å; E2385-W2387 PolarHBondContact O-N 2.79Å; E2385-A2388 PolarHBondContact O-N 3.12Å; E2385-A2389 VanDerWaalsContact O-CB 3.31Å; E2385-A2389 WeakPolarHBondContact O-CB 3.35Å; E2385-A2389 PolarHBondContact O-N 3.09Å; E2385-S2601 VanDerWaalsContact OE1-CB 3.29Å; E2385-S2601 WeakPolarHBondContact OE1-CB 3.36Å; E2385-S2601 PolarHBondContact OE1-OG 3.31Å; E2385-I2604 HydrophobicContact CB-CD1 4.43Å; E2385-I2604 HydrophobicContact CG-CD1 3.68Å; E2385-I2604 HydrophobicContact CG-CG1 4.02Å |
| 2386 | S | 93.6 | Very high | 88.6 | Confident | 0.25 Ų | 0.25 | 14.8 Ų | 14.8 | 0% | 0.002 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 179.2 | -36.8 | 0 | 0 | 0 | 0 | 112 | T2274 M2311 L2382 L2383 V2384 A2389 I2390 | T2274-S2386 VanDerWaalsContact CG2-CB 3.41Å; T2274-S2386 WeakPolarHBondContact OG1-CB 3.25Å; T2274-S2386 PolarHBondContact OG1-OG 2.97Å; M2311-S2386 WeakPolarHBondContact CE-OG 3.39Å; M2311-S2386 WeakPolarHBondContact SD-CB 3.35Å; M2311-S2386 PolarHBondContact SD-OG 2.9Å; M2311-S2386 VanDerWaalsContact SD-OG 3.32Å; L2382-S2386 VanDerWaalsContact O-CB 3.25Å; L2382-S2386 WeakPolarHBondContact O-CB 3.44Å; L2382-S2386 PolarHBondContact O-N 3.26Å; L2382-S2386 PolarHBondContact O-OG 3.11Å; L2383-S2386 VanDerWaalsContact C-OG 3.3Å; L2383-S2386 VanDerWaalsContact CA-OG 3.26Å; L2383-S2386 WeakPolarHBondContact CA-OG 3.28Å; L2383-S2386 PolarHBondContact O-N 3.1Å; L2383-S2386 PolarHBondContact O-OG 3.43Å; V2384-S2386 VanDerWaalsContact C-N 3.32Å; V2384-S2386 PolarHBondContact O-N 3.49Å; S2386-A2389 PolarHBondContact O-N 3.1Å; S2386-I2390 WeakPolarHBondContact O-CD1 3.38Å; S2386-I2390 VanDerWaalsContact O-CG1 3.28Å; S2386-I2390 WeakPolarHBondContact O-CG1 3.45Å; S2386-I2390 PolarHBondContact O-N 3.33Å |
| 2387 | W | 94.8 | Very high | 90 | Very high | 1.25 Ų | 1.25 | 13.4 Ų | 13.4 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 171.3 | 174.9 | 87.2 | 0 | 0 | 0 | 111.5 | L2383 V2384 E2385 A2389 I2390 F2391 F2424 Y2516 I2583 F2586 | L2383-W2387 WeakPolarHBondContact O-CB 3.41Å; L2383-W2387 PolarHBondContact O-N 3.09Å; V2384-W2387 PolarHBondContact O-N 3.33Å; E2385-W2387 PolarHBondContact O-N 2.79Å; W2387-A2389 VanDerWaalsContact C-N 3.32Å; W2387-A2389 PolarHBondContact O-N 3.23Å; W2387-I2390 PolarHBondContact O-N 3.24Å; W2387-F2391 HydrophobicContact CD2-CB 4.41Å; W2387-F2391 AromaticContact CH2-CD1 3.94Å; W2387-F2391 HydrophobicContact CH2-CD1 3.96Å; W2387-F2391 HydrophobicContact CH2-CE1 4.35Å; W2387-F2391 HydrophobicContact CH2-CG 4.22Å; W2387-F2391 HydrophobicContact CZ2-CB 4.3Å; W2387-F2391 HydrophobicContact CZ2-CD1 4.21Å; W2387-F2391 HydrophobicContact CZ2-CD2 4.32Å; W2387-F2391 AromaticContact CZ2-CG 3.96Å; W2387-F2391 HydrophobicContact CZ2-CG 4.03Å; W2387-F2391 HydrophobicContact CZ3-CD1 4.44Å; W2387-F2391 WeakPolarHBondContact O-CB 3.36Å; W2387-F2391 PolarHBondContact O-N 3.27Å; W2387-F2424 HydrophobicContact CB-CE2 4.36Å; W2387-F2424 HydrophobicContact CB-CZ 3.94Å; W2387-Y2516 WeakPolarHBondContact CZ2-OH 3.35Å; W2387-Y2516 AromaticContact NE1-CE2 3.94Å; W2387-Y2516 AromaticContact NE1-CZ 3.99Å; W2387-Y2516 PolarHBondContact NE1-OH 2.86Å; W2387-Y2516 VanDerWaalsContact NE1-OH 3.11Å; W2387-I2583 HydrophobicContact CH2-CG1 4.26Å; W2387-I2583 HydrophobicContact CZ3-CB 4.48Å; W2387-I2583 HydrophobicContact CZ3-CG1 4.09Å; W2387-F2586 HydrophobicContact CB-CE1 3.95Å; W2387-F2586 HydrophobicContact CB-CZ 4.04Å; W2387-F2586 AromaticContact CD1-CE2 3.99Å; W2387-F2586 AromaticContact CD1-CZ 3.89Å; W2387-F2586 AromaticContact CD2-CD1 3.68Å; W2387-F2586 HydrophobicContact CD2-CD1 3.68Å; W2387-F2586 AromaticContact CD2-CD2 3.91Å; W2387-F2586 HydrophobicContact CD2-CD2 4Å; W2387-F2586 AromaticContact CD2-CE1 3.56Å; W2387-F2586 HydrophobicContact CD2-CE1 3.56Å; W2387-F2586 AromaticContact CD2-CE2 3.92Å; W2387-F2586 HydrophobicContact CD2-CE2 3.92Å; W2387-F2586 AromaticContact CD2-CG 3.88Å; W2387-F2586 HydrophobicContact CD2-CG 3.88Å; W2387-F2586 AromaticContact CD2-CZ 3.68Å; W2387-F2586 HydrophobicContact CD2-CZ 3.68Å; W2387-F2586 AromaticContact CE2-CD2 3.76Å; W2387-F2586 AromaticContact CE2-CE2 3.82Å; W2387-F2586 AromaticContact CE2-CG 3.94Å; W2387-F2586 HydrophobicContact CE3-CB 4.14Å; W2387-F2586 AromaticContact CE3-CD1 3.27Å; W2387-F2586 HydrophobicContact CE3-CD1 3.27Å; W2387-F2586 HydrophobicContact CE3-CD2 4.22Å; W2387-F2586 AromaticContact CE3-CE1 3.57Å; W2387-F2586 HydrophobicContact CE3-CE1 3.57Å; W2387-F2586 VanDerWaalsContact CE3-CE1 3.44Å; W2387-F2586 HydrophobicContact CE3-CE2 4.46Å; W2387-F2586 AromaticContact CE3-CG 3.62Å; W2387-F2586 HydrophobicContact CE3-CG 3.62Å; W2387-F2586 HydrophobicContact CE3-CZ 4.16Å; W2387-F2586 HydrophobicContact CG-CD1 4.35Å; W2387-F2586 AromaticContact CG-CE1 3.74Å; W2387-F2586 HydrophobicContact CG-CE1 3.74Å; W2387-F2586 HydrophobicContact CG-CE2 4.12Å; W2387-F2586 AromaticContact CG-CZ 3.6Å; W2387-F2586 HydrophobicContact CG-CZ 3.6Å; W2387-F2586 HydrophobicContact CH2-CB 3.46Å; W2387-F2586 VanDerWaalsContact CH2-CB 3.46Å; W2387-F2586 HydrophobicContact CH2-CD1 4.17Å; W2387-F2586 AromaticContact CH2-CD2 3.96Å; W2387-F2586 HydrophobicContact CH2-CD2 4.03Å; W2387-F2586 AromaticContact CH2-CG 3.63Å; W2387-F2586 HydrophobicContact CH2-CG 3.63Å; W2387-F2586 HydrophobicContact CZ2-CB 4.08Å; W2387-F2586 HydrophobicContact CZ2-CD1 4.48Å; W2387-F2586 AromaticContact CZ2-CD2 3.77Å; W2387-F2586 HydrophobicContact CZ2-CD2 3.77Å; W2387-F2586 HydrophobicContact CZ2-CE2 4.3Å; W2387-F2586 AromaticContact CZ2-CG 3.87Å; W2387-F2586 HydrophobicContact CZ2-CG 3.87Å; W2387-F2586 HydrophobicContact CZ3-CB 3.49Å; W2387-F2586 VanDerWaalsContact CZ3-CB 3.47Å; W2387-F2586 AromaticContact CZ3-CD1 3.56Å; W2387-F2586 HydrophobicContact CZ3-CD1 3.56Å; W2387-F2586 VanDerWaalsContact CZ3-CD1 3.48Å; W2387-F2586 HydrophobicContact CZ3-CD2 4.24Å; W2387-F2586 HydrophobicContact CZ3-CE1 4.3Å; W2387-F2586 AromaticContact CZ3-CG 3.5Å; W2387-F2586 HydrophobicContact CZ3-CG 3.5Å; W2387-F2586 VanDerWaalsContact CZ3-CG 3.48Å; W2387-F2586 AromaticContact NE1-CE2 3.76Å |
| 2388 | A | 94 | Very high | 91.1 | Very high | 1.75 Ų | 1.75 | 11.5 Ų | 11.5 | 1% | 0.014 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2278 V2384 E2385 F2391 L2392 I2604 | L2278-A2388 HydrophobicContact CD2-CB 4.43Å; V2384-A2388 WeakPolarHBondContact O-CB 3.35Å; V2384-A2388 PolarHBondContact O-N 3.1Å; E2385-A2388 PolarHBondContact O-N 3.12Å; A2388-F2391 PolarHBondContact O-N 3.48Å; A2388-L2392 VanDerWaalsContact O-CB 3.24Å; A2388-L2392 WeakPolarHBondContact O-CB 3.29Å; A2388-L2392 VanDerWaalsContact O-CG 3.28Å; A2388-L2392 WeakPolarHBondContact O-CG 3.19Å; A2388-L2392 PolarHBondContact O-N 3.27Å; A2388-I2604 HydrophobicContact CB-CD1 4.35Å; A2388-I2604 HydrophobicContact CB-CG1 4.24Å |
| 2389 | A | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.6 | -50.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T2274 I2277 L2278 L2307 E2385 S2386 W2387 S2393 | T2274-A2389 HydrophobicContact CG2-CB 4.14Å; I2277-A2389 HydrophobicContact CB-CB 4.21Å; I2277-A2389 HydrophobicContact CG2-CB 3.83Å; L2278-A2389 HydrophobicContact CD1-CB 4.43Å; L2278-A2389 HydrophobicContact CD2-CB 3.89Å; L2278-A2389 HydrophobicContact CG-CB 3.85Å; L2307-A2389 HydrophobicContact CD2-CB 4.25Å; E2385-A2389 VanDerWaalsContact O-CB 3.31Å; E2385-A2389 WeakPolarHBondContact O-CB 3.35Å; E2385-A2389 PolarHBondContact O-N 3.09Å; S2386-A2389 PolarHBondContact O-N 3.1Å; W2387-A2389 VanDerWaalsContact C-N 3.32Å; W2387-A2389 PolarHBondContact O-N 3.23Å; A2389-S2393 VanDerWaalsContact O-CB 3.28Å; A2389-S2393 WeakPolarHBondContact O-CB 3.29Å; A2389-S2393 PolarHBondContact O-N 3.29Å; A2389-S2393 PolarHBondContact O-OG 3.08Å |
| 2390 | I | 95.4 | Very high | 91.8 | Very high | 0.25 Ų | 0.25 | 6.4 Ų | 6.4 | 0% | 0.001 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 179.3 | -64 | 160.9 | 0 | 0 | 0 | 110.8 | L2307 M2311 S2386 W2387 L2392 S2393 L2394 V2512 I2513 | L2307-I2390 HydrophobicContact CB-CD1 4.46Å; L2307-I2390 HydrophobicContact CB-CG1 4.42Å; L2307-I2390 HydrophobicContact CD2-CD1 4.29Å; L2307-I2390 HydrophobicContact CD2-CG1 3.95Å; L2307-I2390 HydrophobicContact CG-CD1 4.13Å; L2307-I2390 HydrophobicContact CG-CG1 4.19Å; M2311-I2390 HydrophobicContact SD-CD1 3.9Å; S2386-I2390 WeakPolarHBondContact O-CD1 3.38Å; S2386-I2390 VanDerWaalsContact O-CG1 3.28Å; S2386-I2390 WeakPolarHBondContact O-CG1 3.45Å; S2386-I2390 PolarHBondContact O-N 3.33Å; W2387-I2390 PolarHBondContact O-N 3.24Å; I2390-L2392 PolarHBondContact O-N 3.21Å; I2390-S2393 WeakPolarHBondContact CA-OG 3.46Å; I2390-S2393 PolarHBondContact O-N 3.02Å; I2390-S2393 PolarHBondContact O-OG 3.24Å; I2390-L2394 HydrophobicContact CG2-CD1 3.94Å; I2390-L2394 HydrophobicContact CG2-CG 4.39Å; I2390-L2394 WeakPolarHBondContact O-CB 3.45Å; I2390-L2394 WeakPolarHBondContact O-CD1 3.24Å; I2390-L2394 VanDerWaalsContact O-CG 3.25Å; I2390-L2394 WeakPolarHBondContact O-CG 3.4Å; I2390-L2394 PolarHBondContact O-N 2.85Å; I2390-L2394 VanDerWaalsContact O-N 3.07Å; I2390-V2512 HydrophobicContact CB-CG1 4.23Å; I2390-V2512 HydrophobicContact CD1-CB 4.17Å; I2390-V2512 HydrophobicContact CD1-CG1 4.45Å; I2390-V2512 HydrophobicContact CD1-CG2 4.02Å; I2390-V2512 HydrophobicContact CG2-CB 4.17Å; I2390-V2512 HydrophobicContact CG2-CG1 3.71Å; I2390-I2513 HydrophobicContact CG2-CD1 4.15Å; I2390-I2513 HydrophobicContact CG2-CG1 3.72Å |
| 2391 | F | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 0% | 0.004 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | -177.4 | -178.6 | -112.3 | 0 | 0 | 0 | 112 | W2387 A2388 F2395 L2410 Y2516 V2579 R2582 I2583 | W2387-F2391 HydrophobicContact CD2-CB 4.41Å; W2387-F2391 AromaticContact CH2-CD1 3.94Å; W2387-F2391 HydrophobicContact CH2-CD1 3.96Å; W2387-F2391 HydrophobicContact CH2-CE1 4.35Å; W2387-F2391 HydrophobicContact CH2-CG 4.22Å; W2387-F2391 HydrophobicContact CZ2-CB 4.3Å; W2387-F2391 HydrophobicContact CZ2-CD1 4.21Å; W2387-F2391 HydrophobicContact CZ2-CD2 4.32Å; W2387-F2391 AromaticContact CZ2-CG 3.96Å; W2387-F2391 HydrophobicContact CZ2-CG 4.03Å; W2387-F2391 HydrophobicContact CZ3-CD1 4.44Å; W2387-F2391 WeakPolarHBondContact O-CB 3.36Å; W2387-F2391 PolarHBondContact O-N 3.27Å; A2388-F2391 PolarHBondContact O-N 3.48Å; F2391-F2395 WeakPolarHBondContact O-CB 3.31Å; F2391-F2395 PolarHBondContact O-N 3.14Å; F2391-L2410 HydrophobicContact CD2-CD2 4.14Å; F2391-L2410 HydrophobicContact CE2-CB 4.2Å; F2391-L2410 HydrophobicContact CE2-CD2 4.14Å; F2391-Y2516 HydrophobicContact CD2-CD2 4.48Å; F2391-Y2516 AromaticContact CD2-CE1 3.96Å; F2391-Y2516 HydrophobicContact CD2-CE1 4Å; F2391-Y2516 AromaticContact CD2-CE2 3.85Å; F2391-Y2516 HydrophobicContact CD2-CE2 3.85Å; F2391-Y2516 AromaticContact CD2-CZ 3.5Å; F2391-Y2516 VanDerWaalsContact CD2-CZ 3.46Å; F2391-Y2516 WeakPolarHBondContact CD2-OH 3.36Å; F2391-Y2516 AromaticContact CE2-CE1 3.89Å; F2391-Y2516 HydrophobicContact CE2-CE1 3.89Å; F2391-Y2516 HydrophobicContact CE2-CE2 4.43Å; F2391-Y2516 AromaticContact CE2-CZ 3.82Å; F2391-V2579 HydrophobicContact CE1-CB 4.47Å; F2391-V2579 HydrophobicContact CE1-CG1 3.9Å; F2391-V2579 HydrophobicContact CE1-CG2 4.31Å; F2391-V2579 HydrophobicContact CZ-CG2 4.32Å; F2391-R2582 HydrophobicContact CE1-CB 4.31Å; F2391-R2582 HydrophobicContact CZ-CB 4.28Å; F2391-I2583 HydrophobicContact CD1-CD1 4.39Å; F2391-I2583 HydrophobicContact CD1-CG1 4.05Å; F2391-I2583 HydrophobicContact CE1-CD1 4.48Å; F2391-I2583 HydrophobicContact CE1-CG1 4.13Å |
| 2392 | L | 94.4 | Very high | 91.7 | Very high | 10.75 Ų | 10.75 | 8.3 Ų | 8.3 | 6% | 0.056 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -68.3 | -42.1 | 177.5 | -74.2 | 172.2 | 0 | 0 | 0 | 111.9 | L2278 L2281 A2388 I2390 L2394 F2395 T2396 V2579 I2583 C2607 L2611 | L2278-L2392 HydrophobicContact CD2-CD1 4.48Å; L2281-L2392 HydrophobicContact CD1-CB 3.63Å; L2281-L2392 HydrophobicContact CD1-CD1 4.43Å; A2388-L2392 VanDerWaalsContact O-CB 3.24Å; A2388-L2392 WeakPolarHBondContact O-CB 3.29Å; A2388-L2392 VanDerWaalsContact O-CG 3.28Å; A2388-L2392 WeakPolarHBondContact O-CG 3.19Å; A2388-L2392 PolarHBondContact O-N 3.27Å; I2390-L2392 PolarHBondContact O-N 3.21Å; L2392-L2394 VanDerWaalsContact C-N 3.34Å; L2392-L2394 PolarHBondContact O-N 3.25Å; L2392-F2395 CarbonylContact O-C 3.49Å; L2392-F2395 WeakPolarHBondContact O-CB 3.32Å; L2392-F2395 PolarHBondContact O-N 3.28Å; L2392-F2395 VanDerWaalsContact O-N 3.13Å; L2392-T2396 VanDerWaalsContact O-CB 3.3Å; L2392-T2396 WeakPolarHBondContact O-CB 3.19Å; L2392-T2396 VanDerWaalsContact O-CG2 3.3Å; L2392-T2396 WeakPolarHBondContact O-CG2 3.38Å; L2392-T2396 PolarHBondContact O-N 3.16Å; L2392-T2396 PolarHBondContact O-OG1 3.01Å; L2392-V2579 HydrophobicContact CD2-CG1 3.86Å; L2392-I2583 HydrophobicContact CD1-CD1 4.13Å; L2392-I2583 HydrophobicContact CD2-CD1 3.57Å; L2392-I2583 HydrophobicContact CG-CD1 3.88Å; L2392-C2607 HydrophobicContact CD1-CB 3.69Å; L2392-L2611 HydrophobicContact CD2-CD1 4.18Å; L2392-L2611 HydrophobicContact CD2-CD2 4.31Å |
| 2393 | S | 93.7 | Very high | 91.6 | Very high | 0.25 Ų | 0.25 | 10.3 Ų | 10.3 | 0% | 0.002 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 177 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | I2277 M2300 S2304 A2389 I2390 F2395 T2396 F2397 | I2277-S2393 WeakPolarHBondContact CG2-OG 3.41Å; M2300-S2393 WeakPolarHBondContact CG-OG 3.35Å; M2300-S2393 PolarHBondContact O-OG 3.28Å; S2304-S2393 WeakPolarHBondContact CB-OG 3.28Å; S2304-S2393 PolarHBondContact OG-OG 3.39Å; A2389-S2393 VanDerWaalsContact O-CB 3.28Å; A2389-S2393 WeakPolarHBondContact O-CB 3.29Å; A2389-S2393 PolarHBondContact O-N 3.29Å; A2389-S2393 PolarHBondContact O-OG 3.08Å; I2390-S2393 WeakPolarHBondContact CA-OG 3.46Å; I2390-S2393 PolarHBondContact O-N 3.02Å; I2390-S2393 PolarHBondContact O-OG 3.24Å; S2393-F2395 VanDerWaalsContact C-N 3.34Å; S2393-F2395 PolarHBondContact O-N 3.17Å; S2393-T2396 WeakPolarHBondContact CA-OG1 3.46Å; S2393-T2396 PolarHBondContact O-N 3.22Å; S2393-T2396 PolarHBondContact O-OG1 3.21Å; S2393-T2396 VanDerWaalsContact O-OG1 3.07Å; S2393-F2397 WeakPolarHBondContact O-CB 3.32Å; S2393-F2397 PolarHBondContact O-N 3.15Å; S2393-F2397 VanDerWaalsContact O-N 3.1Å |
| 2394 | L | 93.4 | Very high | 91.3 | Very high | 0.5 Ų | 0.5 | 10.8 Ų | 10.8 | 0% | 0.003 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 172.3 | -70.6 | 169.8 | 0 | 0 | 0 | 110.7 | Y2301 I2390 L2392 T2396 F2397 C2398 L2410 I2513 Y2516 | Y2301-L2394 HydrophobicContact CD2-CD2 3.74Å; Y2301-L2394 HydrophobicContact CE2-CD2 3.53Å; I2390-L2394 HydrophobicContact CG2-CD1 3.94Å; I2390-L2394 HydrophobicContact CG2-CG 4.39Å; I2390-L2394 WeakPolarHBondContact O-CB 3.45Å; I2390-L2394 WeakPolarHBondContact O-CD1 3.24Å; I2390-L2394 VanDerWaalsContact O-CG 3.25Å; I2390-L2394 WeakPolarHBondContact O-CG 3.4Å; I2390-L2394 PolarHBondContact O-N 2.85Å; I2390-L2394 VanDerWaalsContact O-N 3.07Å; L2392-L2394 VanDerWaalsContact C-N 3.34Å; L2392-L2394 PolarHBondContact O-N 3.25Å; L2394-T2396 VanDerWaalsContact C-N 3.32Å; L2394-T2396 PolarHBondContact O-N 3.34Å; L2394-F2397 PolarHBondContact O-N 3.07Å; L2394-C2398 WeakPolarHBondContact O-CB 3.41Å; L2394-C2398 PolarHBondContact O-N 3.2Å; L2394-C2398 PolarHBondContact O-SG 3.3Å; L2394-L2410 HydrophobicContact CB-CD1 4.03Å; L2394-L2410 HydrophobicContact CB-CD2 3.93Å; L2394-L2410 HydrophobicContact CD1-CD2 3.92Å; L2394-L2410 HydrophobicContact CG-CD2 4.48Å; L2394-I2513 HydrophobicContact CD1-CG1 4.07Å; L2394-I2513 HydrophobicContact CD2-CD1 4.41Å; L2394-I2513 HydrophobicContact CD2-CG1 4.37Å; L2394-Y2516 HydrophobicContact CD1-CD2 4.26Å |
| 2395 | F | 93.4 | Very high | 91.1 | Very high | 3.25 Ų | 3.25 | 16.5 Ų | 16.5 | 1% | 0.014 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62 | -46 | 179.9 | 175.7 | -111.7 | 0 | 0 | 0 | 112.4 | F2391 L2392 S2393 F2397 C2398 L2399 L2407 L2410 L2575 V2576 V2579 W2614 | F2391-F2395 WeakPolarHBondContact O-CB 3.31Å; F2391-F2395 PolarHBondContact O-N 3.14Å; L2392-F2395 CarbonylContact O-C 3.49Å; L2392-F2395 WeakPolarHBondContact O-CB 3.32Å; L2392-F2395 PolarHBondContact O-N 3.28Å; L2392-F2395 VanDerWaalsContact O-N 3.13Å; S2393-F2395 VanDerWaalsContact C-N 3.34Å; S2393-F2395 PolarHBondContact O-N 3.17Å; F2395-F2397 VanDerWaalsContact C-N 3.35Å; F2395-F2397 PolarHBondContact O-N 3.24Å; F2395-C2398 PolarHBondContact O-N 3.07Å; F2395-L2399 HydrophobicContact CE1-CD2 4.21Å; F2395-L2399 HydrophobicContact CE2-CD1 4.46Å; F2395-L2399 HydrophobicContact CZ-CD1 4.32Å; F2395-L2399 HydrophobicContact CZ-CD2 4.12Å; F2395-L2399 VanDerWaalsContact O-CB 3.26Å; F2395-L2399 WeakPolarHBondContact O-CB 3.41Å; F2395-L2399 PolarHBondContact O-N 3.08Å; F2395-L2407 HydrophobicContact CD2-CD2 3.97Å; F2395-L2407 HydrophobicContact CE2-CD2 3.93Å; F2395-L2410 HydrophobicContact CB-CD1 4.33Å; F2395-L2575 HydrophobicContact CE2-CB 4.01Å; F2395-L2575 HydrophobicContact CZ-CB 4.09Å; F2395-V2576 HydrophobicContact CE1-CG2 4.21Å; F2395-V2576 HydrophobicContact CZ-CG2 4.08Å; F2395-V2579 HydrophobicContact CB-CG2 4.49Å; F2395-V2579 HydrophobicContact CD1-CB 4.39Å; F2395-V2579 HydrophobicContact CD1-CG1 4.06Å; F2395-V2579 HydrophobicContact CD1-CG2 3.96Å; F2395-V2579 HydrophobicContact CD2-CG2 3.53Å; F2395-V2579 HydrophobicContact CE1-CB 4.26Å; F2395-V2579 HydrophobicContact CE1-CG1 4.29Å; F2395-V2579 HydrophobicContact CE1-CG2 3.96Å; F2395-V2579 HydrophobicContact CE2-CG2 3.54Å; F2395-V2579 HydrophobicContact CG-CG1 4.41Å; F2395-V2579 HydrophobicContact CG-CG2 3.74Å; F2395-V2579 HydrophobicContact CZ-CB 4.36Å; F2395-V2579 HydrophobicContact CZ-CG2 3.76Å; F2395-W2614 HydrophobicContact CE1-CZ3 4.4Å |
| 2396 | T | 91.2 | Very high | 90.8 | Very high | 5.25 Ų | 5.25 | 17.5 Ų | 17.5 | 3% | 0.032 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 179.9 | 37.6 | 0 | 0 | 0 | 0 | 111.6 | L2281 L2284 P2288 M2297 L2392 S2393 L2394 L2399 C2400 W2614 | L2281-T2396 HydrophobicContact CD2-CG2 3.71Å; L2284-T2396 HydrophobicContact CD1-CG2 3.85Å; P2288-T2396 HydrophobicContact CG-CG2 3.86Å; M2297-T2396 HydrophobicContact SD-CG2 3.87Å; L2392-T2396 VanDerWaalsContact O-CB 3.3Å; L2392-T2396 WeakPolarHBondContact O-CB 3.19Å; L2392-T2396 VanDerWaalsContact O-CG2 3.3Å; L2392-T2396 WeakPolarHBondContact O-CG2 3.38Å; L2392-T2396 PolarHBondContact O-N 3.16Å; L2392-T2396 PolarHBondContact O-OG1 3.01Å; S2393-T2396 WeakPolarHBondContact CA-OG1 3.46Å; S2393-T2396 PolarHBondContact O-N 3.22Å; S2393-T2396 PolarHBondContact O-OG1 3.21Å; S2393-T2396 VanDerWaalsContact O-OG1 3.07Å; L2394-T2396 VanDerWaalsContact C-N 3.32Å; L2394-T2396 PolarHBondContact O-N 3.34Å; T2396-L2399 PolarHBondContact O-N 3.09Å; T2396-C2400 VanDerWaalsContact O-CB 3.31Å; T2396-C2400 WeakPolarHBondContact O-CB 3.39Å; T2396-C2400 PolarHBondContact O-N 3.22Å; T2396-W2614 HydrophobicContact CG2-CH2 3.59Å; T2396-W2614 HydrophobicContact CG2-CZ3 4.11Å |
| 2397 | F | 91.6 | Very high | 90.6 | Very high | 29.75 Ų | 29.75 | 17.5 Ų | 17.5 | 13% | 0.13 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 173.8 | 176.7 | -105.6 | 0 | 0 | 0 | 111.7 | M2297 Y2298 Y2301 S2393 L2394 F2395 L2399 C2400 T2401 | M2297-F2397 HydrophobicContact CB-CD2 4.19Å; M2297-F2397 WeakPolarHBondContact O-CD2 3.45Å; Y2298-F2397 AromaticContact CD2-CE2 3.91Å; Y2298-F2397 HydrophobicContact CD2-CE2 4.03Å; Y2298-F2397 HydrophobicContact CD2-CZ 4.21Å; Y2301-F2397 HydrophobicContact CD1-CD1 4.25Å; Y2301-F2397 AromaticContact CD1-CE1 3.95Å; Y2301-F2397 HydrophobicContact CD1-CE1 4.24Å; Y2301-F2397 HydrophobicContact CD1-CE2 4.42Å; Y2301-F2397 HydrophobicContact CD1-CZ 4.15Å; Y2301-F2397 HydrophobicContact CD2-CB 4.42Å; Y2301-F2397 AromaticContact CD2-CD1 3.8Å; Y2301-F2397 HydrophobicContact CD2-CD1 3.8Å; Y2301-F2397 HydrophobicContact CD2-CE1 4.27Å; Y2301-F2397 HydrophobicContact CD2-CG 4.19Å; Y2301-F2397 HydrophobicContact CE1-CE1 4.2Å; Y2301-F2397 HydrophobicContact CE1-CZ 4.45Å; Y2301-F2397 HydrophobicContact CE2-CD1 4.27Å; Y2301-F2397 HydrophobicContact CE2-CE1 4.4Å; Y2301-F2397 AromaticContact CG-CD1 3.9Å; Y2301-F2397 HydrophobicContact CG-CD1 3.9Å; Y2301-F2397 HydrophobicContact CG-CD2 4.39Å; Y2301-F2397 AromaticContact CG-CE1 3.97Å; Y2301-F2397 HydrophobicContact CG-CE1 4.14Å; Y2301-F2397 HydrophobicContact CG-CE2 4.44Å; Y2301-F2397 AromaticContact CG-CG 3.95Å; Y2301-F2397 HydrophobicContact CG-CG 4.03Å; Y2301-F2397 HydrophobicContact CG-CZ 4.38Å; S2393-F2397 WeakPolarHBondContact O-CB 3.32Å; S2393-F2397 PolarHBondContact O-N 3.15Å; S2393-F2397 VanDerWaalsContact O-N 3.1Å; L2394-F2397 PolarHBondContact O-N 3.07Å; F2395-F2397 VanDerWaalsContact C-N 3.35Å; F2395-F2397 PolarHBondContact O-N 3.24Å; F2397-L2399 VanDerWaalsContact C-N 3.3Å; F2397-L2399 PolarHBondContact O-N 3.05Å; F2397-C2400 WeakPolarHBondContact O-CB 3.36Å; F2397-C2400 PolarHBondContact O-N 3.11Å; F2397-C2400 VanDerWaalsContact O-N 3.12Å; F2397-T2401 HydrophobicContact CD2-CG2 4.28Å; F2397-T2401 HydrophobicContact CE1-CG2 4.18Å; F2397-T2401 HydrophobicContact CE2-CG2 3.82Å; F2397-T2401 HydrophobicContact CZ-CG2 3.77Å; F2397-T2401 PolarHBondContact O-N 3.03Å; F2397-T2401 PolarHBondContact O-OG1 3.04Å |
| 2398 | C | 90.1 | Very high | 90.3 | Very high | 2.25 Ų | 2.25 | 17.8 Ų | 17.8 | 2% | 0.015 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.8 | -31.7 | -179.6 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | L2394 F2395 C2400 T2401 Y2402 D2403 W2406 L2407 L2410 | L2394-C2398 WeakPolarHBondContact O-CB 3.41Å; L2394-C2398 PolarHBondContact O-N 3.2Å; L2394-C2398 PolarHBondContact O-SG 3.3Å; F2395-C2398 PolarHBondContact O-N 3.07Å; C2398-C2400 VanDerWaalsContact C-N 3.34Å; C2398-T2401 WeakPolarHBondContact CA-OG1 3.43Å; C2398-T2401 PolarHBondContact O-OG1 3Å; C2398-Y2402 PolarHBondContact O-N 3.33Å; C2398-D2403 PolarHBondContact O-N 3.1Å; C2398-W2406 HydrophobicContact CB-CB 4.18Å; C2398-W2406 WeakPolarHBondContact SG-CB 3.41Å; C2398-L2407 HydrophobicContact CB-CD2 3.76Å; C2398-L2407 HydrophobicContact CB-CG 3.95Å; C2398-L2410 HydrophobicContact CB-CD1 4.32Å |
| 2399 | L | 88.3 | Confident | 90 | Very high | 4.75 Ų | 4.75 | 19.6 Ų | 19.6 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.9 | -38 | 173.1 | -168.9 | 69.6 | 0 | 0 | 0 | 111.2 | P2287 F2395 T2396 F2397 Y2402 R2572 L2575 V2576 W2614 | P2287-L2399 HydrophobicContact CB-CD2 4.21Å; F2395-L2399 HydrophobicContact CE1-CD2 4.21Å; F2395-L2399 HydrophobicContact CE2-CD1 4.46Å; F2395-L2399 HydrophobicContact CZ-CD1 4.32Å; F2395-L2399 HydrophobicContact CZ-CD2 4.12Å; F2395-L2399 VanDerWaalsContact O-CB 3.26Å; F2395-L2399 WeakPolarHBondContact O-CB 3.41Å; F2395-L2399 PolarHBondContact O-N 3.08Å; T2396-L2399 PolarHBondContact O-N 3.09Å; F2397-L2399 VanDerWaalsContact C-N 3.3Å; F2397-L2399 PolarHBondContact O-N 3.05Å; L2399-Y2402 WeakPolarHBondContact O-CD1 3.36Å; L2399-Y2402 WeakPolarHBondContact O-CE1 3.46Å; L2399-R2572 HydrophobicContact CD1-CB 4.48Å; L2399-R2572 HydrophobicContact CD1-CG 3.92Å; L2399-L2575 HydrophobicContact CD1-CD1 4.32Å; L2399-V2576 HydrophobicContact CD2-CG2 4.43Å; L2399-W2614 HydrophobicContact CD2-CZ3 4.21Å |
| 2400 | C | 87.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.1 | -39.3 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | P2288 Y2290 M2297 T2396 F2397 C2398 Y2402 | P2288-C2400 HydrophobicContact CB-CB 4.2Å; P2288-C2400 HydrophobicContact CG-CB 4.13Å; Y2290-C2400 WeakPolarHBondContact CA-O 3.41Å; Y2290-C2400 WeakPolarHBondContact CB-O 3.27Å; Y2290-C2400 WeakPolarHBondContact CD2-O 3.24Å; M2297-C2400 HydrophobicContact CB-CB 4.45Å; M2297-C2400 HydrophobicContact CG-CB 4.21Å; T2396-C2400 VanDerWaalsContact O-CB 3.31Å; T2396-C2400 WeakPolarHBondContact O-CB 3.39Å; T2396-C2400 PolarHBondContact O-N 3.22Å; F2397-C2400 WeakPolarHBondContact O-CB 3.36Å; F2397-C2400 PolarHBondContact O-N 3.11Å; F2397-C2400 VanDerWaalsContact O-N 3.12Å; C2398-C2400 VanDerWaalsContact C-N 3.34Å; C2400-Y2402 WeakPolarHBondContact O-CD2 3.44Å; C2400-Y2402 WeakPolarHBondContact O-CE2 3.24Å |
| 2401 | T | 86.4 | Confident | 89.4 | Confident | 40.6667 Ų | 40.6667 | 19.8 Ų | 19.8 | 25% | 0.249 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -84.9 | -8 | 179.8 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | L2294 F2397 C2398 D2403 | L2294-T2401 HydrophobicContact CD1-CG2 4.13Å; F2397-T2401 HydrophobicContact CD2-CG2 4.28Å; F2397-T2401 HydrophobicContact CE1-CG2 4.18Å; F2397-T2401 HydrophobicContact CE2-CG2 3.82Å; F2397-T2401 HydrophobicContact CZ-CG2 3.77Å; F2397-T2401 PolarHBondContact O-N 3.03Å; F2397-T2401 PolarHBondContact O-OG1 3.04Å; C2398-T2401 WeakPolarHBondContact CA-OG1 3.43Å; C2398-T2401 PolarHBondContact O-OG1 3Å; T2401-D2403 PolarHBondContact O-N 3.2Å |
| 2402 | Y | 83.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 19.8 Ų | 19.8 | 13% | 0.133 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 29.3 | -174.8 | -56.5 | -79.7 | 0 | 0 | 0 | 113.9 | Y2290 C2398 L2399 C2400 S2404 W2568 R2572 | Y2290-Y2402 HydrophobicContact CG-CE2 4.12Å; Y2290-Y2402 PolarHBondContact N-OH 3.25Å; C2398-Y2402 PolarHBondContact O-N 3.33Å; L2399-Y2402 WeakPolarHBondContact O-CD1 3.36Å; L2399-Y2402 WeakPolarHBondContact O-CE1 3.46Å; C2400-Y2402 WeakPolarHBondContact O-CD2 3.44Å; C2400-Y2402 WeakPolarHBondContact O-CE2 3.24Å; Y2402-S2404 PolarHBondContact O-N 2.88Å; Y2402-W2568 HydrophobicContact CD1-CD2 4.21Å; Y2402-W2568 AromaticContact CD1-CE3 3.89Å; Y2402-W2568 HydrophobicContact CD1-CE3 3.89Å; Y2402-W2568 HydrophobicContact CD1-CH2 4.43Å; Y2402-W2568 AromaticContact CD1-CZ3 3.96Å; Y2402-W2568 HydrophobicContact CD1-CZ3 4.01Å; Y2402-W2568 HydrophobicContact CE1-CE3 4.48Å; Y2402-R2572 PolarHBondContact OH-NH2 3.18Å |
| 2403 | D | 86.2 | Confident | 88.6 | Confident | 46.6667 Ų | 46.6667 | 19.8 Ų | 19.8 | 25% | 0.25 | 9% | 0.088 | C | C | . | . | trans | -76.6 | 95.6 | 178 | -166.8 | -33.1 | 0 | 0 | 0 | 110.9 | C2398 T2401 R2405 W2406 L2407 | C2398-D2403 PolarHBondContact O-N 3.1Å; T2401-D2403 PolarHBondContact O-N 3.2Å; D2403-R2405 PolarHBondContact O-N 3.3Å; D2403-R2405 WeakPolarHBondContact OD1-CA 3.44Å; D2403-R2405 VanDerWaalsContact OD1-CB 3.29Å; D2403-R2405 WeakPolarHBondContact OD1-CB 3.44Å; D2403-R2405 PolarHBondContact OD1-N 3.28Å; D2403-R2405 IonicContact OD1-NE 3.03Å; D2403-R2405 PolarHBondContact OD1-NE 3.01Å; D2403-R2405 IonicContact OD1-NH2 3.35Å; D2403-R2405 IonicContact OD2-CZ 2.81Å; D2403-R2405 IonicContact OD2-NE 2.8Å; D2403-R2405 IonicContact OD2-NH2 2.99Å; D2403-R2405 PolarHBondContact OD2-NH2 3.43Å; D2403-W2406 HydrophobicContact CB-CB 4.37Å; D2403-W2406 PolarHBondContact O-N 3.1Å; D2403-W2406 PolarHBondContact OD1-N 3.16Å; D2403-W2406 VanDerWaalsContact OD2-CD1 3.31Å; D2403-L2407 WeakPolarHBondContact O-CB 3.2Å; D2403-L2407 VanDerWaalsContact O-CG 3.28Å; D2403-L2407 WeakPolarHBondContact O-CG 3.25Å; D2403-L2407 PolarHBondContact O-N 3.2Å | ||
| 2404 | S | 84.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 22.4 Ų | 22.4 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.9 | -27.4 | 179 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | Y2402 Y2408 P2671 | Y2402-S2404 PolarHBondContact O-N 2.88Å; S2404-Y2408 VanDerWaalsContact O-CB 3.27Å; S2404-Y2408 WeakPolarHBondContact O-CB 3.4Å; S2404-Y2408 PolarHBondContact O-N 3.42Å; S2404-P2671 VanDerWaalsContact OG-CB 3.25Å; S2404-P2671 WeakPolarHBondContact OG-CB 3.46Å |
| 2405 | R | 86.7 | Confident | 87.7 | Confident | 120.333 Ų | 120.333 | 22.7 Ų | 22.7 | 45% | 0.454 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -71.8 | -46.5 | 179.8 | -57.8 | 172.9 | -151.4 | 174.8 | -1.1 | 110.3 | D2403 Y2408 R2409 Y2532 P2671 | D2403-R2405 PolarHBondContact O-N 3.3Å; D2403-R2405 WeakPolarHBondContact OD1-CA 3.44Å; D2403-R2405 VanDerWaalsContact OD1-CB 3.29Å; D2403-R2405 WeakPolarHBondContact OD1-CB 3.44Å; D2403-R2405 PolarHBondContact OD1-N 3.28Å; D2403-R2405 IonicContact OD1-NE 3.03Å; D2403-R2405 PolarHBondContact OD1-NE 3.01Å; D2403-R2405 IonicContact OD1-NH2 3.35Å; D2403-R2405 IonicContact OD2-CZ 2.81Å; D2403-R2405 IonicContact OD2-NE 2.8Å; D2403-R2405 IonicContact OD2-NH2 2.99Å; D2403-R2405 PolarHBondContact OD2-NH2 3.43Å; R2405-Y2408 PolarHBondContact O-N 3.23Å; R2405-R2409 WeakPolarHBondContact O-CG 3.3Å; R2405-R2409 PolarHBondContact O-N 3.2Å; R2405-Y2532 PolarHBondContact NH2-OH 3.34Å; R2405-P2671 HydrophobicContact CG-CB 4.23Å |
| 2406 | W | 87.5 | Confident | 87.3 | Confident | 51.6667 Ų | 51.6667 | 26 Ų | 26 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.3 | -40.4 | 177.5 | -80.9 | 92.9 | 0 | 0 | 0 | 112.4 | C2398 D2403 Y2408 R2409 L2410 I2513 M2517 | C2398-W2406 HydrophobicContact CB-CB 4.18Å; C2398-W2406 WeakPolarHBondContact SG-CB 3.41Å; D2403-W2406 HydrophobicContact CB-CB 4.37Å; D2403-W2406 PolarHBondContact O-N 3.1Å; D2403-W2406 PolarHBondContact OD1-N 3.16Å; D2403-W2406 VanDerWaalsContact OD2-CD1 3.31Å; W2406-Y2408 VanDerWaalsContact C-N 3.29Å; W2406-Y2408 PolarHBondContact O-N 3.3Å; W2406-R2409 PolarHBondContact O-N 2.92Å; W2406-R2409 VanDerWaalsContact O-N 3.16Å; W2406-L2410 WeakPolarHBondContact O-CG 3.44Å; W2406-L2410 PolarHBondContact O-N 3.24Å; W2406-I2513 HydrophobicContact CH2-CG2 4.5Å; W2406-M2517 HydrophobicContact CH2-CB 4.27Å; W2406-M2517 HydrophobicContact CH2-CE 3.67Å; W2406-M2517 HydrophobicContact CH2-CG 3.41Å; W2406-M2517 VanDerWaalsContact CH2-CG 3.48Å; W2406-M2517 HydrophobicContact CH2-SD 3.91Å; W2406-M2517 HydrophobicContact CZ2-CE 4.26Å; W2406-M2517 HydrophobicContact CZ2-CG 3.79Å; W2406-M2517 HydrophobicContact CZ2-SD 4.24Å; W2406-M2517 HydrophobicContact CZ3-CB 4.24Å; W2406-M2517 HydrophobicContact CZ3-CE 4.31Å; W2406-M2517 HydrophobicContact CZ3-CG 3.94Å |
| 2407 | L | 89.6 | Confident | 86.9 | Confident | 0.333333 Ų | 0.333333 | 28.3 Ų | 28.3 | 0% | 0.002 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 173.2 | -72.1 | 170.2 | 0 | 0 | 0 | 111.1 | F2395 C2398 D2403 V2411 W2568 L2575 L2675 | F2395-L2407 HydrophobicContact CD2-CD2 3.97Å; F2395-L2407 HydrophobicContact CE2-CD2 3.93Å; C2398-L2407 HydrophobicContact CB-CD2 3.76Å; C2398-L2407 HydrophobicContact CB-CG 3.95Å; D2403-L2407 WeakPolarHBondContact O-CB 3.2Å; D2403-L2407 VanDerWaalsContact O-CG 3.28Å; D2403-L2407 WeakPolarHBondContact O-CG 3.25Å; D2403-L2407 PolarHBondContact O-N 3.2Å; L2407-V2411 VanDerWaalsContact O-CB 3.31Å; L2407-V2411 WeakPolarHBondContact O-CB 3.39Å; L2407-V2411 WeakPolarHBondContact O-CG2 3.36Å; L2407-V2411 PolarHBondContact O-N 3.1Å; L2407-V2411 VanDerWaalsContact O-N 3.14Å; L2407-W2568 HydrophobicContact CD1-CH2 4.12Å; L2407-W2568 HydrophobicContact CD1-CZ3 4.26Å; L2407-L2575 HydrophobicContact CB-CD2 4.38Å; L2407-L2575 HydrophobicContact CD1-CD1 3.89Å; L2407-L2575 HydrophobicContact CD2-CD1 4.21Å; L2407-L2575 HydrophobicContact CG-CD1 4.45Å; L2407-L2675 HydrophobicContact CB-CD1 3.55Å; L2407-L2675 HydrophobicContact CB-CD2 4.1Å |
| 2408 | Y | 88.5 | Confident | 86.6 | Confident | 7.33333 Ų | 7.33333 | 33.4 Ų | 33.4 | 3% | 0.029 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 174.5 | 174 | -94.8 | 0 | 0 | 0 | 111.6 | S2404 R2405 W2406 L2410 V2411 A2412 P2520 L2522 R2674 L2675 F2678 | S2404-Y2408 VanDerWaalsContact O-CB 3.27Å; S2404-Y2408 WeakPolarHBondContact O-CB 3.4Å; S2404-Y2408 PolarHBondContact O-N 3.42Å; R2405-Y2408 PolarHBondContact O-N 3.23Å; W2406-Y2408 VanDerWaalsContact C-N 3.29Å; W2406-Y2408 PolarHBondContact O-N 3.3Å; Y2408-L2410 PolarHBondContact O-N 3.01Å; Y2408-V2411 PolarHBondContact O-N 3.2Å; Y2408-A2412 HydrophobicContact CD1-CB 4.39Å; Y2408-A2412 HydrophobicContact CD2-CB 4.22Å; Y2408-A2412 HydrophobicContact CE1-CB 4.03Å; Y2408-A2412 HydrophobicContact CE2-CB 3.88Å; Y2408-A2412 HydrophobicContact CG-CB 4.46Å; Y2408-A2412 WeakPolarHBondContact O-CB 3.37Å; Y2408-A2412 PolarHBondContact O-N 3.33Å; Y2408-P2520 HydrophobicContact CD1-CG 4.35Å; Y2408-P2520 HydrophobicContact CE1-CG 3.61Å; Y2408-L2522 VanDerWaalsContact OH-CD1 3.28Å; Y2408-L2522 WeakPolarHBondContact OH-CD1 3.16Å; Y2408-R2674 HydrophobicContact CD2-CG 4.11Å; Y2408-R2674 VanDerWaalsContact CE1-NE 3.27Å; Y2408-R2674 HydrophobicContact CE2-CG 3.88Å; Y2408-R2674 VanDerWaalsContact CZ-CZ 3.49Å; Y2408-R2674 PolarHBondContact OH-NE 3.26Å; Y2408-R2674 PolarHBondContact OH-NH2 2.87Å; Y2408-R2674 VanDerWaalsContact OH-NH2 3.13Å; Y2408-L2675 HydrophobicContact CD2-CD1 4.46Å; Y2408-F2678 HydrophobicContact CD2-CB 4.19Å; Y2408-F2678 HydrophobicContact CD2-CG 4.37Å; Y2408-F2678 HydrophobicContact CE2-CB 3.88Å; Y2408-F2678 HydrophobicContact CE2-CD2 4.02Å; Y2408-F2678 AromaticContact CE2-CG 3.98Å; Y2408-F2678 HydrophobicContact CE2-CG 3.98Å |
| 2409 | R | 88.4 | Confident | 86.5 | Confident | 40.3333 Ų | 40.3333 | 33.5 Ų | 33.5 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 179.5 | -72.4 | 175.4 | -175.5 | -149.4 | -4.4 | 112 | R2405 W2406 V2411 H2413 Y2516 M2517 E2535 | R2405-R2409 WeakPolarHBondContact O-CG 3.3Å; R2405-R2409 PolarHBondContact O-N 3.2Å; W2406-R2409 PolarHBondContact O-N 2.92Å; W2406-R2409 VanDerWaalsContact O-N 3.16Å; R2409-V2411 VanDerWaalsContact C-N 3.32Å; R2409-V2411 PolarHBondContact O-N 3.1Å; R2409-H2413 PolarHBondContact O-CD2 3.08Å; R2409-H2413 PolarHBondContact O-N 3.11Å; R2409-Y2516 WeakPolarHBondContact CB-O 3.48Å; R2409-M2517 VanDerWaalsContact CZ-O 3.28Å; R2409-M2517 PolarHBondContact NH1-O 3.08Å; R2409-E2535 IonicContact NH2-OE1 2.88Å; R2409-E2535 PolarHBondContact NH2-OE1 2.95Å; R2409-E2535 VanDerWaalsContact NH2-OE1 3.15Å |
| 2410 | L | 89.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 179.7 | -71.3 | 170.3 | 0 | 0 | 0 | 112.7 | F2391 L2394 F2395 C2398 W2406 Y2408 Y2516 | F2391-L2410 HydrophobicContact CD2-CD2 4.14Å; F2391-L2410 HydrophobicContact CE2-CB 4.2Å; F2391-L2410 HydrophobicContact CE2-CD2 4.14Å; L2394-L2410 HydrophobicContact CB-CD1 4.03Å; L2394-L2410 HydrophobicContact CB-CD2 3.93Å; L2394-L2410 HydrophobicContact CD1-CD2 3.92Å; L2394-L2410 HydrophobicContact CG-CD2 4.48Å; F2395-L2410 HydrophobicContact CB-CD1 4.33Å; C2398-L2410 HydrophobicContact CB-CD1 4.32Å; W2406-L2410 WeakPolarHBondContact O-CG 3.44Å; W2406-L2410 PolarHBondContact O-N 3.24Å; Y2408-L2410 PolarHBondContact O-N 3.01Å; L2410-Y2516 HydrophobicContact CD2-CD1 3.83Å; L2410-Y2516 HydrophobicContact CD2-CD2 4.3Å; L2410-Y2516 HydrophobicContact CD2-CE1 4.35Å; L2410-Y2516 HydrophobicContact CD2-CG 3.78Å |
| 2411 | V | 87.3 | Confident | 86.4 | Confident | 0.666667 Ų | 0.666667 | 34.8 Ų | 34.8 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -85.8 | -34.1 | -173.3 | 158.7 | 0 | 0 | 0 | 0 | 113.2 | L2407 Y2408 R2409 L2575 Q2578 V2579 R2582 F2678 L2679 | L2407-V2411 VanDerWaalsContact O-CB 3.31Å; L2407-V2411 WeakPolarHBondContact O-CB 3.39Å; L2407-V2411 WeakPolarHBondContact O-CG2 3.36Å; L2407-V2411 PolarHBondContact O-N 3.1Å; L2407-V2411 VanDerWaalsContact O-N 3.14Å; Y2408-V2411 PolarHBondContact O-N 3.2Å; R2409-V2411 VanDerWaalsContact C-N 3.32Å; R2409-V2411 PolarHBondContact O-N 3.1Å; V2411-L2575 HydrophobicContact CG2-CD2 3.79Å; V2411-Q2578 HydrophobicContact CB-CG 4.26Å; V2411-Q2578 HydrophobicContact CG1-CB 4.45Å; V2411-Q2578 HydrophobicContact CG1-CG 3.39Å; V2411-Q2578 VanDerWaalsContact CG1-CG 3.45Å; V2411-Q2578 HydrophobicContact CG2-CG 4.07Å; V2411-V2579 HydrophobicContact CG2-CG2 4.35Å; V2411-R2582 PolarHBondContact O-NE 3.01Å; V2411-R2582 PolarHBondContact O-NH2 3.04Å; V2411-F2678 HydrophobicContact CG1-CD1 3.82Å; V2411-F2678 HydrophobicContact CG1-CE1 3.41Å; V2411-F2678 VanDerWaalsContact CG1-CE1 3.46Å; V2411-F2678 HydrophobicContact CG1-CZ 4.45Å; V2411-L2679 HydrophobicContact CG1-CD2 3.94Å |
| 2412 | A | 85.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -79.9 | -23 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y2408 P2414 P2520 F2678 | Y2408-A2412 HydrophobicContact CD1-CB 4.39Å; Y2408-A2412 HydrophobicContact CD2-CB 4.22Å; Y2408-A2412 HydrophobicContact CE1-CB 4.03Å; Y2408-A2412 HydrophobicContact CE2-CB 3.88Å; Y2408-A2412 HydrophobicContact CG-CB 4.46Å; Y2408-A2412 WeakPolarHBondContact O-CB 3.37Å; Y2408-A2412 PolarHBondContact O-N 3.33Å; A2412-P2414 WeakPolarHBondContact O-CD 3.18Å; A2412-P2520 HydrophobicContact CB-CB 4.17Å; A2412-P2520 HydrophobicContact CB-CG 3.84Å; A2412-F2678 VanDerWaalsContact CA-CZ 3.46Å; A2412-F2678 HydrophobicContact CB-CD2 4.14Å; A2412-F2678 HydrophobicContact CB-CE1 4.32Å; A2412-F2678 HydrophobicContact CB-CE2 3.75Å; A2412-F2678 HydrophobicContact CB-CZ 3.87Å |
| 2413 | H | 87.5 | Confident | 86.6 | Confident | 10.6667 Ų | 10.6667 | 33 Ų | 33 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -61.5 | 123 | 175.4 | -90.9 | -59.5 | 0 | 0 | 0 | 111.5 | R2409 V2415 F2515 Y2516 T2518 | R2409-H2413 PolarHBondContact O-CD2 3.08Å; R2409-H2413 PolarHBondContact O-N 3.11Å; H2413-V2415 PolarHBondContact O-N 3.04Å; H2413-F2515 HydrophobicContact CB-CE1 3.96Å; H2413-F2515 AromaticContact CD2-CE1 3.97Å; H2413-F2515 AromaticContact CE1-CE1 3.8Å; H2413-F2515 AromaticContact CE1-CZ 3.83Å; H2413-F2515 AromaticContact CG-CE1 3.54Å; H2413-F2515 AromaticContact ND1-CE1 3.43Å; H2413-F2515 WeakPolarHBondContact ND1-CE1 3.39Å; H2413-F2515 AromaticContact ND1-CZ 3.53Å; H2413-F2515 WeakPolarHBondContact ND1-CZ 3.35Å; H2413-F2515 PolarHBondContact NE2-O 3.06Å; H2413-Y2516 HydrophobicContact CB-CD1 4.27Å; H2413-Y2516 HydrophobicContact CB-CE1 4.04Å; H2413-Y2516 AromaticContact CD2-CD1 3.78Å; H2413-T2518 PolarHBondContact CE1-O 3.4Å; H2413-T2518 PolarHBondContact NE2-O 3.08Å |
| 2414 | P | 83.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 30.9 Ų | 30.9 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | trans | -72.7 | 128.3 | -179.6 | 28.8 | -33.4 | 0 | 0 | 0 | 110.6 | A2412 N2416 | A2412-P2414 WeakPolarHBondContact O-CD 3.18Å; P2414-N2416 PolarHBondContact O-N 3.13Å | ||
| 2415 | V | 84.6 | Confident | 86.7 | Confident | 6.33333 Ų | 6.33333 | 30.3 Ų | 30.3 | 4% | 0.038 | 16% | 0.155 | C | C | . | . | trans | -85 | 97.5 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | H2413 L2419 R2582 Q2585 F2586 I2589 | H2413-V2415 PolarHBondContact O-N 3.04Å; V2415-L2419 HydrophobicContact CB-CD2 4.32Å; V2415-L2419 HydrophobicContact CG1-CD2 4.25Å; V2415-L2419 HydrophobicContact CG2-CD2 4.09Å; V2415-R2582 HydrophobicContact CG2-CB 4.29Å; V2415-R2582 HydrophobicContact CG2-CG 4.47Å; V2415-Q2585 HydrophobicContact CB-CB 4.35Å; V2415-Q2585 HydrophobicContact CB-CG 4.22Å; V2415-Q2585 HydrophobicContact CG1-CB 3.98Å; V2415-Q2585 HydrophobicContact CG1-CG 4.3Å; V2415-Q2585 PolarHBondContact O-NE2 3.28Å; V2415-Q2585 VanDerWaalsContact O-NE2 3.07Å; V2415-F2586 HydrophobicContact CG1-CB 3.8Å; V2415-F2586 HydrophobicContact CG1-CD2 3.82Å; V2415-F2586 HydrophobicContact CG1-CG 4.32Å; V2415-I2589 HydrophobicContact CG1-CD1 3.77Å; V2415-I2589 VanDerWaalsContact O-CD1 3.24Å; V2415-I2589 WeakPolarHBondContact O-CD1 3.32Å | ||
| 2416 | N | 84.5 | Confident | 86.6 | Confident | 73 Ų | 73 | 24.6 Ų | 24.6 | 39% | 0.39 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -131.1 | 170.1 | -178.2 | -41 | -11 | 0 | 0 | 0 | 111.3 | P2414 Q2418 L2419 F2420 | P2414-N2416 PolarHBondContact O-N 3.13Å; N2416-Q2418 PolarHBondContact ND2-OE1 2.84Å; N2416-Q2418 PolarHBondContact O-N 3.11Å; N2416-Q2418 VanDerWaalsContact O-N 3.11Å; N2416-Q2418 WeakPolarHBondContact OD1-CB 3.45Å; N2416-Q2418 PolarHBondContact OD1-N 3.45Å; N2416-L2419 VanDerWaalsContact O-CB 3.28Å; N2416-L2419 WeakPolarHBondContact O-CB 3.34Å; N2416-L2419 PolarHBondContact O-N 3.16Å; N2416-L2419 VanDerWaalsContact O-N 3.16Å; N2416-L2419 PolarHBondContact OD1-N 3.48Å; N2416-F2420 PolarHBondContact O-N 3.13Å |
| 2417 | A | 84.1 | Confident | 86.1 | Confident | 52 Ų | 52 | 22.1 Ų | 22.1 | 43% | 0.43 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -58.4 | -28.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P2355 L2419 F2420 S2421 I2589 | P2355-A2417 HydrophobicContact CG-CB 4.24Å; A2417-L2419 VanDerWaalsContact C-N 3.32Å; A2417-L2419 PolarHBondContact O-N 2.86Å; A2417-F2420 WeakPolarHBondContact O-CB 3.39Å; A2417-F2420 PolarHBondContact O-N 3.28Å; A2417-S2421 PolarHBondContact O-N 3.15Å; A2417-S2421 PolarHBondContact O-OG 3.16Å; A2417-I2589 HydrophobicContact CB-CG2 4.48Å |
| 2418 | Q | 85.1 | Confident | 85.5 | Confident | 137.333 Ų | 137.333 | 22.1 Ų | 22.1 | 64% | 0.642 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -67 | -34.8 | 174.3 | -67.8 | 176.3 | -15.1 | 0 | 0 | 113 | N2416 F2420 S2421 T2422 | N2416-Q2418 PolarHBondContact ND2-OE1 2.84Å; N2416-Q2418 PolarHBondContact O-N 3.11Å; N2416-Q2418 VanDerWaalsContact O-N 3.11Å; N2416-Q2418 WeakPolarHBondContact OD1-CB 3.45Å; N2416-Q2418 PolarHBondContact OD1-N 3.45Å; Q2418-F2420 VanDerWaalsContact C-N 3.32Å; Q2418-F2420 PolarHBondContact O-N 2.82Å; Q2418-S2421 VanDerWaalsContact CA-OG 3.31Å; Q2418-S2421 WeakPolarHBondContact CA-OG 3.41Å; Q2418-S2421 PolarHBondContact O-N 3.32Å; Q2418-S2421 PolarHBondContact O-OG 3.19Å; Q2418-T2422 WeakPolarHBondContact O-CB 3.39Å; Q2418-T2422 WeakPolarHBondContact O-CG2 3.48Å; Q2418-T2422 PolarHBondContact O-N 3.14Å; Q2418-T2422 PolarHBondContact O-OG1 3.08Å; Q2418-T2422 VanDerWaalsContact O-OG1 3.13Å |
| 2419 | L | 86.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 172.3 | 173 | 72.9 | 0 | 0 | 0 | 109.2 | V2415 N2416 A2417 S2421 T2422 I2423 F2515 F2586 | V2415-L2419 HydrophobicContact CB-CD2 4.32Å; V2415-L2419 HydrophobicContact CG1-CD2 4.25Å; V2415-L2419 HydrophobicContact CG2-CD2 4.09Å; N2416-L2419 VanDerWaalsContact O-CB 3.28Å; N2416-L2419 WeakPolarHBondContact O-CB 3.34Å; N2416-L2419 PolarHBondContact O-N 3.16Å; N2416-L2419 VanDerWaalsContact O-N 3.16Å; N2416-L2419 PolarHBondContact OD1-N 3.48Å; A2417-L2419 VanDerWaalsContact C-N 3.32Å; A2417-L2419 PolarHBondContact O-N 2.86Å; L2419-S2421 VanDerWaalsContact C-N 3.33Å; L2419-S2421 PolarHBondContact O-N 3.26Å; L2419-T2422 WeakPolarHBondContact O-CB 3.49Å; L2419-T2422 PolarHBondContact O-N 3.22Å; L2419-T2422 VanDerWaalsContact O-N 3.14Å; L2419-T2422 PolarHBondContact O-OG1 3.17Å; L2419-I2423 HydrophobicContact CD1-CD1 3.8Å; L2419-I2423 VanDerWaalsContact CD1-CD1 3.45Å; L2419-I2423 HydrophobicContact CD1-CG1 4.29Å; L2419-I2423 HydrophobicContact CD1-CG2 4.12Å; L2419-I2423 HydrophobicContact CG-CD1 3.98Å; L2419-I2423 VanDerWaalsContact O-CG1 3.32Å; L2419-I2423 WeakPolarHBondContact O-CG1 3.36Å; L2419-I2423 PolarHBondContact O-N 3.22Å; L2419-F2515 HydrophobicContact CD1-CD1 3.47Å; L2419-F2515 VanDerWaalsContact CD1-CD1 3.47Å; L2419-F2515 HydrophobicContact CD1-CD2 4.17Å; L2419-F2515 HydrophobicContact CD1-CE1 3.06Å; L2419-F2515 HydrophobicContact CD1-CE2 3.8Å; L2419-F2515 HydrophobicContact CD1-CG 4.03Å; L2419-F2515 HydrophobicContact CD1-CZ 3.25Å; L2419-F2586 HydrophobicContact CD2-CD2 4.15Å; L2419-F2586 HydrophobicContact CD2-CE2 4.1Å; L2419-F2586 HydrophobicContact CG-CE2 4.47Å |
| 2420 | F | 87.5 | Confident | 83.6 | Confident | 4.33333 Ų | 4.33333 | 27.7 Ų | 27.7 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | -179.2 | -166.6 | -81 | 0 | 0 | 0 | 111.5 | P2355 W2358 L2380 N2416 A2417 Q2418 T2422 I2423 F2424 F2586 | P2355-F2420 HydrophobicContact CB-CB 4.38Å; P2355-F2420 HydrophobicContact CB-CD1 3.64Å; P2355-F2420 HydrophobicContact CB-CD2 4.01Å; P2355-F2420 HydrophobicContact CB-CE1 3.82Å; P2355-F2420 HydrophobicContact CB-CE2 4.17Å; P2355-F2420 HydrophobicContact CB-CG 3.74Å; P2355-F2420 HydrophobicContact CB-CZ 4.09Å; P2355-F2420 HydrophobicContact CG-CB 3.95Å; P2355-F2420 HydrophobicContact CG-CD1 3.82Å; P2355-F2420 HydrophobicContact CG-CD2 4.48Å; P2355-F2420 HydrophobicContact CG-CE1 4.41Å; P2355-F2420 HydrophobicContact CG-CG 3.83Å; W2358-F2420 HydrophobicContact CB-CE1 4.16Å; W2358-F2420 HydrophobicContact CB-CZ 4.43Å; W2358-F2420 AromaticContact CD1-CE1 3.62Å; W2358-F2420 AromaticContact CG-CE1 3.94Å; W2358-F2420 HydrophobicContact CG-CE1 3.98Å; W2358-F2420 HydrophobicContact CG-CZ 4.35Å; L2380-F2420 HydrophobicContact CD1-CE2 4.26Å; L2380-F2420 HydrophobicContact CD1-CZ 3.72Å; N2416-F2420 PolarHBondContact O-N 3.13Å; A2417-F2420 WeakPolarHBondContact O-CB 3.39Å; A2417-F2420 PolarHBondContact O-N 3.28Å; Q2418-F2420 VanDerWaalsContact C-N 3.32Å; Q2418-F2420 PolarHBondContact O-N 2.82Å; F2420-T2422 VanDerWaalsContact C-N 3.31Å; F2420-T2422 PolarHBondContact O-N 2.93Å; F2420-I2423 PolarHBondContact O-N 2.92Å; F2420-F2424 HydrophobicContact CD1-CB 4.46Å; F2420-F2424 HydrophobicContact CD1-CD2 4.2Å; F2420-F2424 AromaticContact CD2-CD2 3.79Å; F2420-F2424 HydrophobicContact CD2-CD2 3.79Å; F2420-F2424 AromaticContact CD2-CE2 3.96Å; F2420-F2424 HydrophobicContact CD2-CE2 4.13Å; F2420-F2424 HydrophobicContact CE1-CB 4.28Å; F2420-F2424 AromaticContact CE1-CD2 3.95Å; F2420-F2424 HydrophobicContact CE1-CD2 4Å; F2420-F2424 AromaticContact CE2-CD2 3.58Å; F2420-F2424 HydrophobicContact CE2-CD2 3.58Å; F2420-F2424 AromaticContact CE2-CE2 3.84Å; F2420-F2424 HydrophobicContact CE2-CE2 3.84Å; F2420-F2424 HydrophobicContact CG-CD2 4.1Å; F2420-F2424 AromaticContact CZ-CD2 3.68Å; F2420-F2424 HydrophobicContact CZ-CD2 3.68Å; F2420-F2424 HydrophobicContact CZ-CE2 4.3Å; F2420-F2424 PolarHBondContact O-N 3.23Å; F2420-F2586 HydrophobicContact CD2-CE1 4.41Å; F2420-F2586 HydrophobicContact CD2-CE2 4.15Å; F2420-F2586 AromaticContact CD2-CZ 3.82Å; F2420-F2586 HydrophobicContact CD2-CZ 3.82Å; F2420-F2586 HydrophobicContact CE2-CZ 4.24Å |
| 2421 | S | 85.6 | Confident | 82.1 | Confident | 27.6667 Ų | 27.6667 | 31 Ų | 31 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.7 | -33 | 177.6 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | A2417 Q2418 L2419 G2425 | A2417-S2421 PolarHBondContact O-N 3.15Å; A2417-S2421 PolarHBondContact O-OG 3.16Å; Q2418-S2421 VanDerWaalsContact CA-OG 3.31Å; Q2418-S2421 WeakPolarHBondContact CA-OG 3.41Å; Q2418-S2421 PolarHBondContact O-N 3.32Å; Q2418-S2421 PolarHBondContact O-OG 3.19Å; L2419-S2421 VanDerWaalsContact C-N 3.33Å; L2419-S2421 PolarHBondContact O-N 3.26Å; S2421-G2425 VanDerWaalsContact O-CA 3.23Å; S2421-G2425 WeakPolarHBondContact O-CA 3.41Å; S2421-G2425 PolarHBondContact O-N 3.23Å; S2421-G2425 VanDerWaalsContact O-N 3.07Å |
| 2422 | T | 86.6 | Confident | 80.4 | Confident | 31.6667 Ų | 31.6667 | 35.2 Ų | 35.2 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.3 | -39.4 | 178.7 | -29.2 | 0 | 0 | 0 | 0 | 112.2 | Q2418 L2419 F2420 P2508 R2509 K2510 F2515 | Q2418-T2422 WeakPolarHBondContact O-CB 3.39Å; Q2418-T2422 WeakPolarHBondContact O-CG2 3.48Å; Q2418-T2422 PolarHBondContact O-N 3.14Å; Q2418-T2422 PolarHBondContact O-OG1 3.08Å; Q2418-T2422 VanDerWaalsContact O-OG1 3.13Å; L2419-T2422 WeakPolarHBondContact O-CB 3.49Å; L2419-T2422 PolarHBondContact O-N 3.22Å; L2419-T2422 VanDerWaalsContact O-N 3.14Å; L2419-T2422 PolarHBondContact O-OG1 3.17Å; F2420-T2422 VanDerWaalsContact C-N 3.31Å; F2420-T2422 PolarHBondContact O-N 2.93Å; T2422-P2508 WeakPolarHBondContact O-CB 3.29Å; T2422-R2509 HydrophobicContact CG2-CB 4.11Å; T2422-R2509 PolarHBondContact O-N 3.17Å; T2422-K2510 HydrophobicContact CG2-CB 4.47Å; T2422-K2510 PolarHBondContact O-N 3.11Å; T2422-F2515 HydrophobicContact CG2-CD2 4.06Å; T2422-F2515 HydrophobicContact CG2-CE2 4.46Å |
| 2423 | I | 88.7 | Confident | 78.6 | Confident | 4.66667 Ų | 4.66667 | 40.7 Ų | 40.7 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -86.5 | -36.6 | -174.8 | -40.1 | -178.6 | 0 | 0 | 0 | 112.9 | L2419 F2420 P2508 V2512 F2515 F2586 | L2419-I2423 HydrophobicContact CD1-CD1 3.8Å; L2419-I2423 VanDerWaalsContact CD1-CD1 3.45Å; L2419-I2423 HydrophobicContact CD1-CG1 4.29Å; L2419-I2423 HydrophobicContact CD1-CG2 4.12Å; L2419-I2423 HydrophobicContact CG-CD1 3.98Å; L2419-I2423 VanDerWaalsContact O-CG1 3.32Å; L2419-I2423 WeakPolarHBondContact O-CG1 3.36Å; L2419-I2423 PolarHBondContact O-N 3.22Å; F2420-I2423 PolarHBondContact O-N 2.92Å; I2423-P2508 VanDerWaalsContact O-CB 3.22Å; I2423-P2508 WeakPolarHBondContact O-CB 3.33Å; I2423-V2512 HydrophobicContact CB-CG2 4.19Å; I2423-V2512 HydrophobicContact CD1-CG1 4.5Å; I2423-V2512 HydrophobicContact CD1-CG2 4.41Å; I2423-V2512 HydrophobicContact CG2-CB 4.34Å; I2423-V2512 HydrophobicContact CG2-CG2 3.42Å; I2423-V2512 VanDerWaalsContact CG2-CG2 3.46Å; I2423-F2515 HydrophobicContact CD1-CB 4.29Å; I2423-F2515 HydrophobicContact CD1-CD1 4.24Å; I2423-F2515 HydrophobicContact CD1-CG 4.17Å; I2423-F2515 HydrophobicContact CG1-CB 4.23Å; I2423-F2515 HydrophobicContact CG1-CG 4.27Å; I2423-F2515 HydrophobicContact CG2-CB 4.01Å; I2423-F2515 HydrophobicContact CG2-CD2 4.48Å; I2423-F2515 HydrophobicContact CG2-CG 4.15Å; I2423-F2586 HydrophobicContact CD1-CE2 4.14Å; I2423-F2586 HydrophobicContact CD1-CZ 4.15Å |
| 2424 | F | 88.1 | Confident | 76.8 | Confident | 2.33333 Ų | 2.33333 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -112.1 | -11.9 | -175.3 | -63 | -46.7 | 0 | 0 | 0 | 114.6 | M2311 L2315 L2383 W2387 F2420 W2505 V2512 F2586 | M2311-F2424 HydrophobicContact CE-CD1 4.37Å; M2311-F2424 HydrophobicContact CE-CE1 3.61Å; M2311-F2424 HydrophobicContact CE-CZ 4.35Å; L2315-F2424 HydrophobicContact CD1-CB 4.42Å; L2315-F2424 HydrophobicContact CD1-CD1 3.83Å; L2383-F2424 HydrophobicContact CB-CD2 4.38Å; L2383-F2424 HydrophobicContact CB-CE1 4.2Å; L2383-F2424 HydrophobicContact CB-CE2 4.06Å; L2383-F2424 HydrophobicContact CB-CZ 3.91Å; L2383-F2424 HydrophobicContact CD1-CB 4.31Å; L2383-F2424 HydrophobicContact CD1-CD1 4.24Å; L2383-F2424 HydrophobicContact CD1-CD2 4.34Å; L2383-F2424 HydrophobicContact CD1-CE1 4.5Å; L2383-F2424 HydrophobicContact CD1-CG 4.07Å; L2383-F2424 HydrophobicContact CD2-CD1 3.91Å; L2383-F2424 HydrophobicContact CD2-CE1 3.87Å; L2383-F2424 HydrophobicContact CD2-CG 4.42Å; L2383-F2424 HydrophobicContact CD2-CZ 4.39Å; L2383-F2424 HydrophobicContact CG-CD1 4.45Å; L2383-F2424 HydrophobicContact CG-CE1 4.44Å; L2383-F2424 VanDerWaalsContact O-CZ 3.27Å; L2383-F2424 WeakPolarHBondContact O-CZ 3.3Å; W2387-F2424 HydrophobicContact CB-CE2 4.36Å; W2387-F2424 HydrophobicContact CB-CZ 3.94Å; F2420-F2424 HydrophobicContact CD1-CB 4.46Å; F2420-F2424 HydrophobicContact CD1-CD2 4.2Å; F2420-F2424 AromaticContact CD2-CD2 3.79Å; F2420-F2424 HydrophobicContact CD2-CD2 3.79Å; F2420-F2424 AromaticContact CD2-CE2 3.96Å; F2420-F2424 HydrophobicContact CD2-CE2 4.13Å; F2420-F2424 HydrophobicContact CE1-CB 4.28Å; F2420-F2424 AromaticContact CE1-CD2 3.95Å; F2420-F2424 HydrophobicContact CE1-CD2 4Å; F2420-F2424 AromaticContact CE2-CD2 3.58Å; F2420-F2424 HydrophobicContact CE2-CD2 3.58Å; F2420-F2424 AromaticContact CE2-CE2 3.84Å; F2420-F2424 HydrophobicContact CE2-CE2 3.84Å; F2420-F2424 HydrophobicContact CG-CD2 4.1Å; F2420-F2424 AromaticContact CZ-CD2 3.68Å; F2420-F2424 HydrophobicContact CZ-CD2 3.68Å; F2420-F2424 HydrophobicContact CZ-CE2 4.3Å; F2420-F2424 PolarHBondContact O-N 3.23Å; F2424-W2505 VanDerWaalsContact O-CH2 3.26Å; F2424-W2505 WeakPolarHBondContact O-CH2 3.46Å; F2424-W2505 WeakPolarHBondContact O-CZ2 3.37Å; F2424-V2512 HydrophobicContact CE1-CG2 4.45Å; F2424-F2586 HydrophobicContact CE2-CE1 4.48Å; F2424-F2586 AromaticContact CE2-CZ 3.88Å; F2424-F2586 HydrophobicContact CE2-CZ 3.88Å; F2424-F2586 HydrophobicContact CZ-CZ 4.43Å |
| 2425 | G | 85.3 | Confident | 74.8 | Confident | 0.666667 Ų | 0.666667 | 44.3 Ų | 44.3 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | trans | 69 | -165 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W2358 S2421 V2506 | W2358-G2425 PolarHBondContact NE1-O 2.95Å; S2421-G2425 VanDerWaalsContact O-CA 3.23Å; S2421-G2425 WeakPolarHBondContact O-CA 3.41Å; S2421-G2425 PolarHBondContact O-N 3.23Å; S2421-G2425 VanDerWaalsContact O-N 3.07Å; G2425-V2506 CarbonylContact C-O 3.57Å; G2425-V2506 WeakPolarHBondContact CA-O 3.34Å | ||
| 2426 | G | 83.6 | Confident | 73.2 | Confident | 0.333333 Ų | 0.333333 | 45.5 Ų | 45.5 | 0% | 0.003 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -171.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P2359 G2428 V2506 | P2359-G2426 CarbonylContact O-C 3.59Å; G2426-G2428 PolarHBondContact O-N 3.31Å; G2426-V2506 PolarHBondContact N-O 3.11Å; G2426-V2506 WeakPolarHBondContact O-CA 3.3Å; G2426-V2506 WeakPolarHBondContact O-CB 3.33Å; G2426-V2506 PolarHBondContact O-N 3.21Å |
| 2427 | G | 78.3 | Confident | 71.2 | Confident | 0.333333 Ų | 0.333333 | 47.1 Ų | 47.1 | 0% | 0.003 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2352 T2353 P2359 E2504 | V2352-G2427 PolarHBondContact N-O 3Å; V2352-G2427 VanDerWaalsContact N-O 3.12Å; T2353-G2427 VanDerWaalsContact CG2-CA 3.46Å; T2353-G2427 VanDerWaalsContact CG2-O 3.28Å; T2353-G2427 WeakPolarHBondContact CG2-O 3.3Å; T2353-G2427 PolarHBondContact N-O 3Å; T2353-G2427 WeakPolarHBondContact OG1-CA 3.44Å; T2353-G2427 PolarHBondContact OG1-N 3.06Å; T2353-G2427 PolarHBondContact OG1-O 3.39Å; P2359-G2427 PolarHBondContact O-N 3.22Å; G2427-E2504 WeakPolarHBondContact CA-O 3.3Å |
| 2428 | G | 75.6 | Confident | 69 | Low | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 150.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E2350 G2426 T2503 E2504 | E2350-G2428 VanDerWaalsContact O-CA 3.26Å; E2350-G2428 WeakPolarHBondContact O-CA 3.26Å; G2426-G2428 PolarHBondContact O-N 3.31Å; G2428-T2503 CarbonylContact O-C 3.55Å; G2428-T2503 VanDerWaalsContact O-CA 3.3Å; G2428-T2503 WeakPolarHBondContact O-CA 3.42Å; G2428-E2504 PolarHBondContact N-O 3.32Å; G2428-E2504 PolarHBondContact O-N 3.27Å |
| 2429 | H | 71.6 | Confident | 66.9 | Low | 79.6667 Ų | 79.6667 | 47.5 Ų | 47.5 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.7 | 174.7 | -69.3 | 44.1 | 0 | 0 | 0 | 109.9 | V2352 T2503 | V2352-H2429 WeakPolarHBondContact CB-ND1 3.27Å; V2352-H2429 HydrophobicContact CG2-CB 4.45Å; H2429-T2503 VanDerWaalsContact CE1-CG2 3.4Å; H2429-T2503 WeakPolarHBondContact CE1-CG2 3.34Å; H2429-T2503 WeakPolarHBondContact ND1-CG2 3.42Å |
| 2430 | R | 66 | Low | 64.6 | Low | 84 Ų | 84 | 53.8 Ų | 53.8 | 32% | 0.317 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.3 | 169.6 | -167.4 | 169.8 | -176.8 | 179.4 | 0.4 | 109.7 | S2342 M2432 T2501 K2502 E2504 | S2342-R2430 PolarHBondContact O-NH1 2.73Å; S2342-R2430 PolarHBondContact O-NH2 3.13Å; S2342-R2430 PolarHBondContact OG-NH2 3.27Å; R2430-M2432 PolarHBondContact O-N 3.01Å; R2430-T2501 CarbonylContact O-C 3.32Å; R2430-T2501 WeakPolarHBondContact O-CA 3.23Å; R2430-K2502 PolarHBondContact N-O 3.34Å; R2430-K2502 PolarHBondContact O-N 3.11Å; R2430-E2504 HydrophobicContact CB-CG 4.46Å; R2430-E2504 VanDerWaalsContact CD-OE2 3.27Å; R2430-E2504 WeakPolarHBondContact CD-OE2 3.23Å; R2430-E2504 IonicContact NH1-OE2 3.39Å; R2430-E2504 PolarHBondContact NH1-OE2 2.94Å |
| 2431 | S | 58.3 | Low | 62.1 | Low | 73 Ų | 73 | 60.3 Ų | 60.3 | 51% | 0.51 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 120.1 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 2432 | M | 51.6 | Low | 59.6 | Low | 88 Ų | 88 | 66.5 Ų | 66.5 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.1 | 169.6 | -71.3 | -157 | -72.4 | 0 | 0 | 110.4 | R2430 L2499 T2500 K2502 | R2430-M2432 PolarHBondContact O-N 3.01Å; M2432-L2499 WeakPolarHBondContact O-CA 3.31Å; M2432-T2500 PolarHBondContact N-O 3Å; M2432-T2500 PolarHBondContact O-N 2.96Å; M2432-T2500 PolarHBondContact O-OG1 3.01Å; M2432-K2502 HydrophobicContact CE-CB 4.29Å; M2432-K2502 HydrophobicContact CE-CD 3.99Å |
| 2433 | L | 46.4 | Very low | 57.1 | Low | 116.667 Ų | 116.667 | 75.7 Ų | 75.7 | 61% | 0.611 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.9 | 176.3 | -76 | 173.5 | 0 | 0 | 0 | 109 | V2497 L2499 | L2433-V2497 HydrophobicContact CB-CG1 3.58Å; L2433-V2497 VanDerWaalsContact CB-CG1 3.5Å; L2433-V2497 HydrophobicContact CD2-CB 4.25Å; L2433-V2497 HydrophobicContact CD2-CG1 3.46Å; L2433-V2497 VanDerWaalsContact CD2-CG1 3.46Å; L2433-V2497 HydrophobicContact CG-CG1 4.06Å; L2433-L2499 HydrophobicContact CD2-CD1 3.62Å; L2433-L2499 HydrophobicContact CD2-CG 4.37Å; L2433-L2499 HydrophobicContact CG-CD1 4.21Å |
| 2434 | V | 51 | Low | 54.5 | Low | 72 Ų | 72 | 83.3 Ų | 83.3 | 44% | 0.436 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 113.4 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | V2436 V2497 I2498 T2500 | V2434-V2436 PolarHBondContact O-N 3.14Å; V2434-V2497 CarbonylContact O-C 3.56Å; V2434-V2497 WeakPolarHBondContact O-CA 3.37Å; V2434-V2497 WeakPolarHBondContact O-CG1 3.26Å; V2434-I2498 PolarHBondContact N-O 3.13Å; V2434-I2498 PolarHBondContact O-N 3.03Å; V2434-T2500 HydrophobicContact CG2-CG2 4.26Å |
| 2435 | D | 42.2 | Very low | 51.8 | Low | 71.3333 Ų | 71.3333 | 88.4 Ų | 88.4 | 38% | 0.381 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 123.9 | -176.3 | -143.7 | -9.8 | 0 | 0 | 0 | 110.9 | R2495 | D2435-R2495 WeakPolarHBondContact OD2-CD 3.4Å; D2435-R2495 IonicContact OD2-NH1 3.1Å; D2435-R2495 PolarHBondContact OD2-NH1 3.16Å; D2435-R2495 VanDerWaalsContact OD2-NH1 3.15Å |
| 2436 | V | 49.2 | Very low | 49.1 | Very low | 31 Ų | 31 | 93.8 Ų | 93.8 | 19% | 0.188 | 48% | 0.48 | C | S | . | . | trans | -86.1 | 6.7 | -177.1 | -178 | 0 | 0 | 0 | 0 | 110.8 | V2434 N2438 S2439 Q2440 Q2496 I2498 | V2434-V2436 PolarHBondContact O-N 3.14Å; V2436-N2438 PolarHBondContact O-N 3.03Å; V2436-N2438 VanDerWaalsContact O-N 3.15Å; V2436-S2439 WeakPolarHBondContact O-CA 3.34Å; V2436-S2439 VanDerWaalsContact O-CB 3.26Å; V2436-S2439 WeakPolarHBondContact O-CB 3.41Å; V2436-S2439 PolarHBondContact O-N 3.37Å; V2436-S2439 PolarHBondContact O-OG 3.3Å; V2436-Q2440 HydrophobicContact CG1-CG 4.31Å; V2436-Q2440 PolarHBondContact O-N 3.37Å; V2436-Q2496 WeakPolarHBondContact CA-O 3.47Å; V2436-Q2496 HydrophobicContact CB-CB 4.04Å; V2436-Q2496 WeakPolarHBondContact CB-O 3.37Å; V2436-Q2496 HydrophobicContact CG2-CB 4.26Å; V2436-Q2496 VanDerWaalsContact CG2-O 3.26Å; V2436-Q2496 WeakPolarHBondContact CG2-O 3.44Å; V2436-Q2496 PolarHBondContact N-O 3.19Å; V2436-I2498 HydrophobicContact CG2-CB 4.3Å; V2436-I2498 HydrophobicContact CG2-CD1 3.5Å; V2436-I2498 HydrophobicContact CG2-CG1 3.44Å; V2436-I2498 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 2437 | Q | 44 | Very low | 46.5 | Very low | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | 3.4 | -177.5 | -71.5 | -167.7 | -5.2 | 0 | 0 | 112.7 | S2439 Q2440 L2441 G2494 | Q2437-S2439 PolarHBondContact O-N 3.05Å; Q2437-S2439 VanDerWaalsContact O-N 3.08Å; Q2437-Q2440 PolarHBondContact O-N 3.22Å; Q2437-L2441 PolarHBondContact O-N 3.05Å; Q2437-G2494 PolarHBondContact NE2-O 3.49Å |
| 2438 | N | 38.5 | Very low | 44.4 | Very low | 107.333 Ų | 107.333 | 108.3 Ų | 108.3 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | 12.1 | 171.6 | -85.1 | -10.9 | 0 | 0 | 0 | 112.9 | V2436 Q2440 R2442 | V2436-N2438 PolarHBondContact O-N 3.03Å; V2436-N2438 VanDerWaalsContact O-N 3.15Å; N2438-Q2440 PolarHBondContact O-N 2.93Å; N2438-R2442 VanDerWaalsContact O-CD 3.29Å; N2438-R2442 WeakPolarHBondContact O-CD 3.33Å; N2438-R2442 WeakPolarHBondContact O-CG 3.43Å |
| 2439 | S | 40.9 | Very low | 42.2 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 63% | 0.629 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.8 | -12.7 | 173.4 | 94.2 | 0 | 0 | 0 | 0 | 113.6 | V2436 Q2437 | V2436-S2439 WeakPolarHBondContact O-CA 3.34Å; V2436-S2439 VanDerWaalsContact O-CB 3.26Å; V2436-S2439 WeakPolarHBondContact O-CB 3.41Å; V2436-S2439 PolarHBondContact O-N 3.37Å; V2436-S2439 PolarHBondContact O-OG 3.3Å; Q2437-S2439 PolarHBondContact O-N 3.05Å; Q2437-S2439 VanDerWaalsContact O-N 3.08Å |
| 2440 | Q | 37.6 | Very low | 40.3 | Very low | 137.667 Ų | 137.667 | 116.1 Ų | 116.1 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -97.5 | -26.7 | -172.4 | -71.9 | -104.9 | -11.9 | 0 | 0 | 114.1 | V2436 Q2437 N2438 R2442 R2443 | V2436-Q2440 HydrophobicContact CG1-CG 4.31Å; V2436-Q2440 PolarHBondContact O-N 3.37Å; Q2437-Q2440 PolarHBondContact O-N 3.22Å; N2438-Q2440 PolarHBondContact O-N 2.93Å; Q2440-R2442 PolarHBondContact O-N 3.08Å; Q2440-R2442 VanDerWaalsContact O-N 3.12Å; Q2440-R2443 PolarHBondContact O-N 3.32Å; Q2440-R2443 VanDerWaalsContact O-N 3.07Å |
| 2441 | L | 34.9 | Very low | 38.5 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -73.7 | 0.2 | 177.7 | -79.2 | 160.3 | 0 | 0 | 0 | 112.5 | Q2437 R2443 | Q2437-L2441 PolarHBondContact O-N 3.05Å; L2441-R2443 VanDerWaalsContact C-N 3.3Å; L2441-R2443 PolarHBondContact O-N 2.98Å |
| 2442 | R | 33.9 | Very low | 37.2 | Very low | 157.667 Ų | 157.667 | 124.6 Ų | 124.6 | 60% | 0.595 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -97.9 | 5.3 | 172.9 | -102.8 | 179.6 | 176.6 | -166.5 | -2.1 | 114.2 | G2160 A2161 E2164 N2438 Q2440 | G2160-R2442 PolarHBondContact O-NH2 3.15Å; A2161-R2442 VanDerWaalsContact CA-NH1 3.28Å; A2161-R2442 VanDerWaalsContact CA-NH2 3.28Å; A2161-R2442 HydrophobicContact CB-CB 4.48Å; A2161-R2442 HydrophobicContact CB-CG 3.95Å; A2161-R2442 PolarHBondContact O-NH1 3.27Å; A2161-R2442 PolarHBondContact O-NH2 3.26Å; E2164-R2442 VanDerWaalsContact CG-NH2 3.31Å; E2164-R2442 IonicContact OE1-CZ 3.97Å; E2164-R2442 IonicContact OE1-NH2 2.85Å; E2164-R2442 PolarHBondContact OE1-NH2 2.87Å; E2164-R2442 IonicContact OE2-CZ 2.67Å; E2164-R2442 IonicContact OE2-NH1 2.81Å; E2164-R2442 IonicContact OE2-NH2 3.93Å; E2164-R2442 PolarHBondContact OE2-NH2 2.78Å; N2438-R2442 VanDerWaalsContact O-CD 3.29Å; N2438-R2442 WeakPolarHBondContact O-CD 3.33Å; N2438-R2442 WeakPolarHBondContact O-CG 3.43Å; Q2440-R2442 PolarHBondContact O-N 3.08Å; Q2440-R2442 VanDerWaalsContact O-N 3.12Å |
| 2443 | R | 33.2 | Very low | 36.2 | Very low | 224.333 Ų | 224.333 | 129.1 Ų | 129.1 | 85% | 0.847 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -111 | 12.5 | 177 | -122.2 | 173.2 | -168.2 | -177.1 | 2 | 112.8 | Q2440 L2441 S2445 | Q2440-R2443 PolarHBondContact O-N 3.32Å; Q2440-R2443 VanDerWaalsContact O-N 3.07Å; L2441-R2443 VanDerWaalsContact C-N 3.3Å; L2441-R2443 PolarHBondContact O-N 2.98Å; R2443-S2445 VanDerWaalsContact C-N 3.28Å; R2443-S2445 PolarHBondContact O-N 2.67Å |
| 2444 | Q | 34.5 | Very low | 35.3 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 77% | 0.771 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 19.7 | 176.6 | -79.2 | -173.2 | -6.5 | 0 | 0 | 112.9 | C2446 | Q2444-C2446 VanDerWaalsContact C-N 3.26Å; Q2444-C2446 PolarHBondContact O-N 3.38Å |
| 2445 | S | 31.5 | Very low | 34.3 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 32.5 | 166.6 | 105.3 | 0 | 0 | 0 | 0 | 112.9 | R2443 | R2443-S2445 VanDerWaalsContact C-N 3.28Å; R2443-S2445 PolarHBondContact O-N 2.67Å |
| 2446 | C | 28.4 | Very low | 33.6 | Very low | 113.333 Ų | 113.333 | 133.8 Ų | 133.8 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -144.8 | 80.9 | 169.4 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | Q2444 S2448 | Q2444-C2446 VanDerWaalsContact C-N 3.26Å; Q2444-C2446 PolarHBondContact O-N 3.38Å; C2446-S2448 PolarHBondContact O-N 2.48Å | ||
| 2447 | K | 28.9 | Very low | 32.6 | Very low | 201.333 Ų | 201.333 | 137.3 Ų | 137.3 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | trans | -87.2 | 105.8 | 170.6 | -68.3 | 179.4 | 178.8 | 178.6 | 0 | 109.2 | ||||
| 2448 | S | 33.6 | Very low | 31.9 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -152.9 | 107.8 | 146.9 | 59 | 0 | 0 | 0 | 0 | 109.4 | C2446 D2450 | C2446-S2448 PolarHBondContact O-N 2.48Å; S2448-D2450 PolarHBondContact O-N 3.43Å | ||
| 2449 | S | 30.6 | Very low | 31.4 | Very low | 103.333 Ų | 103.333 | 138 Ų | 138 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | 8.7 | 119.8 | 151.5 | 54.4 | 0 | 0 | 0 | 0 | 115.7 | T2451 | S2449-T2451 PolarHBondContact O-N 3.46Š| ||
| 2450 | D | 30.5 | Very low | 30.9 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | -130.9 | 133.4 | 118.3 | -87.8 | -34.7 | 0 | 0 | 0 | 107.8 | S2448 Y2452 | S2448-D2450 PolarHBondContact O-N 3.43Å; D2450-Y2452 HydrophobicContact CB-CD2 4.07Å; D2450-Y2452 HydrophobicContact CB-CE2 3.76Å | |||
| 2451 | T | 28.9 | Very low | 30.7 | Very low | 128.333 Ų | 128.333 | 140.2 Ų | 140.2 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -107.9 | 110.1 | 160.5 | 11.3 | 0 | 0 | 0 | 0 | 111.4 | S2449 E2453 | S2449-T2451 PolarHBondContact O-N 3.46Å; T2451-E2453 PolarHBondContact O-N 2.86Å | ||
| 2452 | Y | 31.9 | Very low | 30.8 | Very low | 207.333 Ų | 207.333 | 141.5 Ų | 141.5 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -74.8 | 125.4 | 160.3 | -69.7 | -86.4 | 0 | 0 | 0 | 112.5 | D2450 | D2450-Y2452 HydrophobicContact CB-CD2 4.07Å; D2450-Y2452 HydrophobicContact CB-CE2 3.76Å | ||
| 2453 | E | 30.1 | Very low | 30.9 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -125.2 | 137.1 | 155 | -79.8 | 176.3 | 166.5 | 0 | 0 | 111.6 | T2451 A2455 | T2451-E2453 PolarHBondContact O-N 2.86Å; E2453-A2455 PolarHBondContact O-N 3.39Å; E2453-A2455 VanDerWaalsContact O-N 3.1Å | ||
| 2454 | T | 27.2 | Very low | 31.4 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -46 | 114 | 166.9 | 41 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2455 | A | 29.3 | Very low | 32.2 | Very low | 90.6667 Ų | 90.6667 | 135.7 Ų | 135.7 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -95.9 | 120.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E2453 | E2453-A2455 PolarHBondContact O-N 3.39Å; E2453-A2455 VanDerWaalsContact O-N 3.1Å | ||
| 2456 | T | 27.1 | Very low | 33.2 | Very low | 129.333 Ų | 129.333 | 134.3 Ų | 134.3 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | -92.7 | 154.7 | 148.5 | 43.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2457 | S | 29.2 | Very low | 34.5 | Very low | 104.667 Ų | 104.667 | 131.9 Ų | 131.9 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 60.6 | 123.6 | 157.4 | 66.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2458 | D | 29.2 | Very low | 35.8 | Very low | 154.667 Ų | 154.667 | 129.6 Ų | 129.6 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | 152.8 | 134.2 | 110.8 | -107.6 | -16.7 | 0 | 0 | 0 | 114.1 | T2460 | D2458-T2460 PolarHBondContact O-N 3.21Š| |||
| 2459 | G | 28.1 | Very low | 36.9 | Very low | 72.3333 Ų | 72.3333 | 129 Ų | 129 | 75% | 0.746 | 73% | 0.733 | S | S | * | * | trans | 24.3 | 93.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2460 | T | 30.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -148.4 | 133.3 | 143.1 | 43.9 | 0 | 0 | 0 | 0 | 110.9 | D2458 E2462 | D2458-T2460 PolarHBondContact O-N 3.21Å; T2460-E2462 PolarHBondContact O-N 3.38Å; T2460-E2462 VanDerWaalsContact O-N 3.16Å | ||
| 2461 | V | 32.7 | Very low | 39.3 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 90% | 0.897 | 72% | 0.717 | S | S | * | * | trans | -49.7 | 97.4 | 178 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | Q2463 | V2461-Q2463 PolarHBondContact O-N 3.5Š| ||
| 2462 | E | 36.3 | Very low | 40.5 | Very low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | -93.5 | 114.2 | 175 | -73 | -168.8 | 160.1 | 0 | 0 | 111.2 | T2460 L2464 | T2460-E2462 PolarHBondContact O-N 3.38Å; T2460-E2462 VanDerWaalsContact O-N 3.16Å; E2462-L2464 VanDerWaalsContact C-N 3.28Å; E2462-L2464 PolarHBondContact O-N 3.08Å | ||
| 2463 | Q | 37.2 | Very low | 41.7 | Very low | 193.667 Ų | 193.667 | 125.3 Ų | 125.3 | 91% | 0.905 | 70% | 0.698 | S | S | * | * | trans | -28.2 | 104.3 | 166.1 | -71.9 | 175.1 | -23.9 | 0 | 0 | 112.4 | V2461 D2465 | V2461-Q2463 PolarHBondContact O-N 3.5Å; Q2463-D2465 PolarHBondContact O-N 3.03Å; Q2463-D2465 VanDerWaalsContact O-N 3.12Å | ||
| 2464 | L | 43.1 | Very low | 42.8 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | trans | -71.6 | 104.5 | 176.7 | -77.8 | 159.9 | 0 | 0 | 0 | 110.4 | E2462 L2469 | E2462-L2464 VanDerWaalsContact C-N 3.28Å; E2462-L2464 PolarHBondContact O-N 3.08Å; L2464-L2469 HydrophobicContact CB-CD1 4.21Å; L2464-L2469 HydrophobicContact CB-CG 4.32Å | ||
| 2465 | D | 52.5 | Low | 44 | Very low | 98.3333 Ų | 98.3333 | 118.1 Ų | 118.1 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | trans | -56.7 | 120.1 | 177.8 | -147.9 | -4.1 | 0 | 0 | 0 | 110.9 | Q2463 A2467 K2468 L2469 | Q2463-D2465 PolarHBondContact O-N 3.03Å; Q2463-D2465 VanDerWaalsContact O-N 3.12Å; D2465-A2467 PolarHBondContact O-N 3.11Å; D2465-K2468 PolarHBondContact O-N 3.23Å; D2465-L2469 PolarHBondContact O-N 2.97Å | ||
| 2466 | P | 51.6 | Low | 44.9 | Very low | 80.3333 Ų | 80.3333 | 122.3 Ų | 122.3 | 52% | 0.522 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -60.4 | -22.4 | -172.7 | 22.5 | -34.2 | 0 | 0 | 0 | 113.2 | L2469 R2470 | P2466-L2469 PolarHBondContact O-N 3.26Å; P2466-R2470 VanDerWaalsContact O-CB 3.32Å; P2466-R2470 WeakPolarHBondContact O-CB 3.36Å; P2466-R2470 PolarHBondContact O-N 3.11Å |
| 2467 | A | 56.4 | Low | 45.6 | Very low | 62 Ų | 62 | 120.3 Ų | 120.3 | 51% | 0.512 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.4 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D2465 R2470 A2471 | D2465-A2467 PolarHBondContact O-N 3.11Å; A2467-R2470 PolarHBondContact O-N 2.82Å; A2467-A2471 WeakPolarHBondContact O-CB 3.24Å; A2467-A2471 PolarHBondContact O-N 3.32Å |
| 2468 | K | 55.9 | Low | 46.4 | Very low | 152.667 Ų | 152.667 | 121.6 Ų | 121.6 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.7 | -35.7 | 176.9 | -78.2 | 179.9 | 179.2 | 171.6 | 0 | 111.8 | D2465 A2471 K2472 | D2465-K2468 PolarHBondContact O-N 3.23Å; K2468-A2471 PolarHBondContact O-N 3.32Å; K2468-K2472 WeakPolarHBondContact O-CB 3.27Å; K2468-K2472 PolarHBondContact O-N 3.02Å |
| 2469 | L | 56.5 | Low | 46.6 | Very low | 92.3333 Ų | 92.3333 | 116.3 Ų | 116.3 | 48% | 0.483 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.7 | -42.1 | 172.7 | -80.6 | 169.4 | 0 | 0 | 0 | 111.6 | L2464 D2465 P2466 K2472 F2473 | L2464-L2469 HydrophobicContact CB-CD1 4.21Å; L2464-L2469 HydrophobicContact CB-CG 4.32Å; D2465-L2469 PolarHBondContact O-N 2.97Å; P2466-L2469 PolarHBondContact O-N 3.26Å; L2469-K2472 PolarHBondContact O-N 3.2Å; L2469-F2473 VanDerWaalsContact O-CB 3.3Å; L2469-F2473 WeakPolarHBondContact O-CB 3.37Å; L2469-F2473 PolarHBondContact O-N 3.15Å |
| 2470 | R | 56.2 | Low | 46.7 | Very low | 165.333 Ų | 165.333 | 120.9 Ų | 120.9 | 62% | 0.624 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.3 | -44.8 | 173.2 | -106.8 | -173.4 | -147.9 | 119.3 | -2.3 | 111.4 | P2466 A2467 K2472 F2473 H2474 | P2466-R2470 VanDerWaalsContact O-CB 3.32Å; P2466-R2470 WeakPolarHBondContact O-CB 3.36Å; P2466-R2470 PolarHBondContact O-N 3.11Å; A2467-R2470 PolarHBondContact O-N 2.82Å; R2470-K2472 VanDerWaalsContact C-N 3.34Å; R2470-K2472 PolarHBondContact O-N 3.26Å; R2470-F2473 CarbonylContact O-C 3.54Å; R2470-F2473 PolarHBondContact O-N 2.89Å; R2470-H2474 WeakPolarHBondContact O-CB 3.45Å; R2470-H2474 PolarHBondContact O-CD2 2.96Å; R2470-H2474 PolarHBondContact O-N 3.3Å |
| 2471 | A | 55.1 | Low | 46.8 | Very low | 60.6667 Ų | 60.6667 | 125.3 Ų | 125.3 | 50% | 0.501 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.7 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2467 K2468 F2473 H2474 S2475 | A2467-A2471 WeakPolarHBondContact O-CB 3.24Å; A2467-A2471 PolarHBondContact O-N 3.32Å; K2468-A2471 PolarHBondContact O-N 3.32Å; A2471-F2473 VanDerWaalsContact C-N 3.33Å; A2471-F2473 PolarHBondContact O-N 2.92Å; A2471-H2474 PolarHBondContact O-N 3.13Å; A2471-S2475 WeakPolarHBondContact O-CB 3.24Å; A2471-S2475 PolarHBondContact O-N 3.29Å; A2471-S2475 PolarHBondContact O-OG 3.05Å |
| 2472 | K | 53.4 | Low | 46.9 | Very low | 144.667 Ų | 144.667 | 124.1 Ų | 124.1 | 63% | 0.629 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.2 | -37.1 | 173.9 | -90.3 | -176.8 | 174.3 | 178.9 | 0 | 112.8 | K2468 L2469 R2470 S2475 K2476 | K2468-K2472 WeakPolarHBondContact O-CB 3.27Å; K2468-K2472 PolarHBondContact O-N 3.02Å; L2469-K2472 PolarHBondContact O-N 3.2Å; R2470-K2472 VanDerWaalsContact C-N 3.34Å; R2470-K2472 PolarHBondContact O-N 3.26Å; K2472-S2475 VanDerWaalsContact CA-OG 3.3Å; K2472-S2475 WeakPolarHBondContact CA-OG 3.27Å; K2472-S2475 PolarHBondContact O-N 3.49Å; K2472-S2475 PolarHBondContact O-OG 3.21Å; K2472-K2476 VanDerWaalsContact O-CB 3.31Å; K2472-K2476 WeakPolarHBondContact O-CB 3.42Å; K2472-K2476 VanDerWaalsContact O-CG 3.26Å; K2472-K2476 WeakPolarHBondContact O-CG 3.41Å; K2472-K2476 PolarHBondContact O-N 3.22Å; K2472-K2476 VanDerWaalsContact O-N 3.08Å |
| 2473 | F | 57.6 | Low | 46.7 | Very low | 131.333 Ų | 131.333 | 127.4 Ų | 127.4 | 58% | 0.576 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.8 | -47 | 175.2 | -178.3 | -102.8 | 0 | 0 | 0 | 110.6 | L2469 R2470 A2471 S2475 K2476 V2477 | L2469-F2473 VanDerWaalsContact O-CB 3.3Å; L2469-F2473 WeakPolarHBondContact O-CB 3.37Å; L2469-F2473 PolarHBondContact O-N 3.15Å; R2470-F2473 CarbonylContact O-C 3.54Å; R2470-F2473 PolarHBondContact O-N 2.89Å; A2471-F2473 VanDerWaalsContact C-N 3.33Å; A2471-F2473 PolarHBondContact O-N 2.92Å; F2473-S2475 VanDerWaalsContact C-N 3.31Å; F2473-S2475 PolarHBondContact O-N 3.21Å; F2473-K2476 CarbonylContact O-C 3.54Å; F2473-K2476 PolarHBondContact O-N 3.29Å; F2473-K2476 VanDerWaalsContact O-N 3.13Å; F2473-V2477 HydrophobicContact CD1-CG2 3.95Å; F2473-V2477 HydrophobicContact CD2-CG2 3.98Å; F2473-V2477 HydrophobicContact CE1-CG2 3.64Å; F2473-V2477 HydrophobicContact CE2-CG2 3.67Å; F2473-V2477 HydrophobicContact CG-CG2 4.12Å; F2473-V2477 HydrophobicContact CZ-CG2 3.49Å; F2473-V2477 VanDerWaalsContact CZ-CG2 3.47Å; F2473-V2477 VanDerWaalsContact O-CB 3.28Å; F2473-V2477 WeakPolarHBondContact O-CB 3.35Å; F2473-V2477 VanDerWaalsContact O-CG2 3.3Å; F2473-V2477 WeakPolarHBondContact O-CG2 3.38Å; F2473-V2477 PolarHBondContact O-N 3.17Å |
| 2474 | H | 53.8 | Low | 46.7 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 46% | 0.458 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.5 | -41.1 | 174.4 | -77.8 | -82.6 | 0 | 0 | 0 | 111.8 | R2470 A2471 K2476 V2477 L2478 | R2470-H2474 WeakPolarHBondContact O-CB 3.45Å; R2470-H2474 PolarHBondContact O-CD2 2.96Å; R2470-H2474 PolarHBondContact O-N 3.3Å; A2471-H2474 PolarHBondContact O-N 3.13Å; H2474-K2476 VanDerWaalsContact C-N 3.3Å; H2474-K2476 PolarHBondContact O-N 3.35Å; H2474-V2477 PolarHBondContact O-N 3.31Å; H2474-L2478 HydrophobicContact CB-CD1 4.32Å; H2474-L2478 VanDerWaalsContact O-CB 3.27Å; H2474-L2478 WeakPolarHBondContact O-CB 3.4Å; H2474-L2478 WeakPolarHBondContact O-CD1 3.33Å; H2474-L2478 WeakPolarHBondContact O-CG 3.38Å; H2474-L2478 PolarHBondContact O-N 3.32Å |
| 2475 | S | 52.4 | Low | 46.6 | Very low | 71.6667 Ų | 71.6667 | 120.9 Ų | 120.9 | 50% | 0.501 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.2 | -27.6 | 175.5 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | A2471 K2472 F2473 G2479 | A2471-S2475 WeakPolarHBondContact O-CB 3.24Å; A2471-S2475 PolarHBondContact O-N 3.29Å; A2471-S2475 PolarHBondContact O-OG 3.05Å; K2472-S2475 VanDerWaalsContact CA-OG 3.3Å; K2472-S2475 WeakPolarHBondContact CA-OG 3.27Å; K2472-S2475 PolarHBondContact O-N 3.49Å; K2472-S2475 PolarHBondContact O-OG 3.21Å; F2473-S2475 VanDerWaalsContact C-N 3.31Å; F2473-S2475 PolarHBondContact O-N 3.21Å; S2475-G2479 CarbonylContact O-C 3.54Å; S2475-G2479 VanDerWaalsContact O-C 3.31Å; S2475-G2479 PolarHBondContact O-N 3.34Å |
| 2476 | K | 47.3 | Very low | 45.9 | Very low | 178.333 Ų | 178.333 | 119.6 Ų | 119.6 | 78% | 0.775 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.1 | -36.1 | 175.6 | -80.7 | -175.5 | 173.8 | -170.6 | 0 | 112.6 | K2472 F2473 H2474 | K2472-K2476 VanDerWaalsContact O-CB 3.31Å; K2472-K2476 WeakPolarHBondContact O-CB 3.42Å; K2472-K2476 VanDerWaalsContact O-CG 3.26Å; K2472-K2476 WeakPolarHBondContact O-CG 3.41Å; K2472-K2476 PolarHBondContact O-N 3.22Å; K2472-K2476 VanDerWaalsContact O-N 3.08Å; F2473-K2476 CarbonylContact O-C 3.54Å; F2473-K2476 PolarHBondContact O-N 3.29Å; F2473-K2476 VanDerWaalsContact O-N 3.13Å; H2474-K2476 VanDerWaalsContact C-N 3.3Å; H2474-K2476 PolarHBondContact O-N 3.35Å |
| 2477 | V | 43.3 | Very low | 45.5 | Very low | 87.3333 Ų | 87.3333 | 119.6 Ų | 119.6 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -81.1 | -37.5 | -177.8 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | F2473 H2474 G2479 | F2473-V2477 HydrophobicContact CD1-CG2 3.95Å; F2473-V2477 HydrophobicContact CD2-CG2 3.98Å; F2473-V2477 HydrophobicContact CE1-CG2 3.64Å; F2473-V2477 HydrophobicContact CE2-CG2 3.67Å; F2473-V2477 HydrophobicContact CG-CG2 4.12Å; F2473-V2477 HydrophobicContact CZ-CG2 3.49Å; F2473-V2477 VanDerWaalsContact CZ-CG2 3.47Å; F2473-V2477 VanDerWaalsContact O-CB 3.28Å; F2473-V2477 WeakPolarHBondContact O-CB 3.35Å; F2473-V2477 VanDerWaalsContact O-CG2 3.3Å; F2473-V2477 WeakPolarHBondContact O-CG2 3.38Å; F2473-V2477 PolarHBondContact O-N 3.17Å; H2474-V2477 PolarHBondContact O-N 3.31Å; V2477-G2479 VanDerWaalsContact C-N 3.32Å; V2477-G2479 PolarHBondContact O-N 3.19Å |
| 2478 | L | 44.4 | Very low | 45 | Very low | 132 Ų | 132 | 121 Ų | 121 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -84.8 | 6.1 | 179.2 | -66.3 | 163.9 | 0 | 0 | 0 | 113.3 | H2474 | H2474-L2478 HydrophobicContact CB-CD1 4.32Å; H2474-L2478 VanDerWaalsContact O-CB 3.27Å; H2474-L2478 WeakPolarHBondContact O-CB 3.4Å; H2474-L2478 WeakPolarHBondContact O-CD1 3.33Å; H2474-L2478 WeakPolarHBondContact O-CG 3.38Å; H2474-L2478 PolarHBondContact O-N 3.32Å |
| 2479 | G | 34.2 | Very low | 44.7 | Very low | 42.3333 Ų | 42.3333 | 119 Ų | 119 | 44% | 0.436 | 60% | 0.6 | S | S | . | * | trans | 70.5 | 154.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S2475 V2477 R2481 | S2475-G2479 CarbonylContact O-C 3.54Å; S2475-G2479 VanDerWaalsContact O-C 3.31Å; S2475-G2479 PolarHBondContact O-N 3.34Å; V2477-G2479 VanDerWaalsContact C-N 3.32Å; V2477-G2479 PolarHBondContact O-N 3.19Å; G2479-R2481 VanDerWaalsContact C-N 3.34Å; G2479-R2481 PolarHBondContact O-N 2.97Å; G2479-R2481 VanDerWaalsContact O-N 3.11Å | ||
| 2480 | H | 30.9 | Very low | 44.1 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 79% | 0.787 | 61% | 0.608 | S | S | * | * | trans | -65.7 | 98.8 | 173.1 | -159 | -46.1 | 0 | 0 | 0 | 108.2 | D2482 | H2480-D2482 VanDerWaalsContact C-N 3.29Å; H2480-D2482 IonicContact CE1-OD1 3.26Å; H2480-D2482 PolarHBondContact CE1-OD1 3.23Å; H2480-D2482 IonicContact ND1-OD1 3.02Å; H2480-D2482 PolarHBondContact ND1-OD1 3.22Å; H2480-D2482 PolarHBondContact O-N 3.23Å | ||
| 2481 | R | 33 | Very low | 43.8 | Very low | 218.667 Ų | 218.667 | 115.2 Ų | 115.2 | 83% | 0.825 | 59% | 0.594 | S | S | * | * | trans | -72.4 | 105.2 | 166.9 | -111.4 | 176.8 | 114.2 | 131.6 | -2.2 | 106.9 | G2479 R2483 | G2479-R2481 VanDerWaalsContact C-N 3.34Å; G2479-R2481 PolarHBondContact O-N 2.97Å; G2479-R2481 VanDerWaalsContact O-N 3.11Å; R2481-R2483 PolarHBondContact O-N 3.08Å; R2481-R2483 VanDerWaalsContact O-N 3.16Å | ||
| 2482 | D | 33 | Very low | 43.9 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 65% | 0.652 | 62% | 0.615 | S | S | * | * | trans | -53.1 | 120.4 | 169.7 | -72.3 | -32.4 | 0 | 0 | 0 | 108.3 | H2480 S2484 | H2480-D2482 VanDerWaalsContact C-N 3.29Å; H2480-D2482 IonicContact CE1-OD1 3.26Å; H2480-D2482 PolarHBondContact CE1-OD1 3.23Å; H2480-D2482 IonicContact ND1-OD1 3.02Å; H2480-D2482 PolarHBondContact ND1-OD1 3.22Å; H2480-D2482 PolarHBondContact O-N 3.23Å; D2482-S2484 PolarHBondContact O-N 3.23Å | ||
| 2483 | R | 33.6 | Very low | 43.9 | Very low | 238 Ų | 238 | 117.6 Ų | 117.6 | 90% | 0.898 | 62% | 0.621 | S | S | * | * | trans | -71.8 | 24.5 | -175.9 | -89.9 | 179.4 | 162.5 | -168.5 | -5 | 112.9 | R2481 N2485 | R2481-R2483 PolarHBondContact O-N 3.08Å; R2481-R2483 VanDerWaalsContact O-N 3.16Å; R2483-N2485 PolarHBondContact O-N 3.34Å | ||
| 2484 | S | 37.3 | Very low | 43.5 | Very low | 91.3333 Ų | 91.3333 | 113.4 Ų | 113.4 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 14.8 | -174.2 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | D2482 | D2482-S2484 PolarHBondContact O-N 3.23Š|
| 2485 | N | 40.9 | Very low | 43.1 | Very low | 101 Ų | 101 | 115 Ų | 115 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.4 | 20.8 | 176.7 | -69 | 1.8 | 0 | 0 | 0 | 114.3 | R2483 T2487 T2501 | R2483-N2485 PolarHBondContact O-N 3.34Å; N2485-T2487 PolarHBondContact O-N 3.01Å; N2485-T2501 WeakPolarHBondContact CB-OG1 3.44Å; N2485-T2501 PolarHBondContact ND2-OG1 3.27Å |
| 2486 | S | 37.4 | Very low | 42.7 | Very low | 70 Ų | 70 | 115.8 Ų | 115.8 | 49% | 0.49 | 61% | 0.613 | S | S | . | * | trans | -107.6 | 101 | 172.1 | -32.3 | 0 | 0 | 0 | 0 | 110.2 | L2499 | S2486-L2499 VanDerWaalsContact CA-O 3.32Å; S2486-L2499 WeakPolarHBondContact CA-O 3.49Å | ||
| 2487 | T | 42.3 | Very low | 42.7 | Very low | 81.6667 Ų | 81.6667 | 107.7 Ų | 107.7 | 50% | 0.501 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.1 | 169.4 | -21.7 | 0 | 0 | 0 | 0 | 108.7 | N2485 L2499 | N2485-T2487 PolarHBondContact O-N 3.01Å; T2487-L2499 PolarHBondContact N-O 3.49Å; T2487-L2499 WeakPolarHBondContact O-CB 3.35Å; T2487-L2499 PolarHBondContact O-N 3.22Å; T2487-L2499 VanDerWaalsContact O-N 3.1Å |
| 2488 | V | 47.4 | Very low | 43.1 | Very low | 90.6667 Ų | 90.6667 | 106.2 Ų | 106.2 | 55% | 0.549 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85 | 117.4 | 172.6 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | Q2496 V2497 I2498 | V2488-Q2496 HydrophobicContact CG1-CB 4.26Å; V2488-Q2496 HydrophobicContact CG1-CG 4.37Å; V2488-V2497 WeakPolarHBondContact CA-O 3.37Å; V2488-I2498 HydrophobicContact CG2-CG1 4.22Å |
| 2489 | Q | 48.6 | Very low | 43.3 | Very low | 109.667 Ų | 109.667 | 101.4 Ų | 101.4 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.8 | 171.9 | -74.6 | -174.1 | -14.4 | 0 | 0 | 110.4 | Q2496 V2497 | Q2489-Q2496 WeakPolarHBondContact O-CA 3.34Å; Q2489-V2497 PolarHBondContact N-O 3.31Å; Q2489-V2497 PolarHBondContact O-N 3.25Å; Q2489-V2497 VanDerWaalsContact O-N 3.1Å |
| 2490 | L | 43.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 101.6 Ų | 101.6 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.2 | 167.9 | -79.6 | 153.5 | 0 | 0 | 0 | 107.6 | R2495 Q2496 | L2490-R2495 CarbonylContact C-O 3.45Å; L2490-R2495 WeakPolarHBondContact CA-O 3.41Å; L2490-Q2496 HydrophobicContact CD2-CG 3.95Å; L2490-Q2496 HydrophobicContact CG-CG 4.43Å |
| 2491 | T | 51.4 | Low | 45.7 | Very low | 52.6667 Ų | 52.6667 | 95.9 Ų | 95.9 | 32% | 0.323 | 51% | 0.512 | S | S | . | . | trans | -67 | 160.8 | 168.1 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | D2493 G2494 R2495 V2497 | T2491-D2493 PolarHBondContact O-N 3.16Å; T2491-D2493 VanDerWaalsContact O-N 3.07Å; T2491-G2494 PolarHBondContact O-N 3.01Å; T2491-R2495 PolarHBondContact N-O 3.22Å; T2491-R2495 WeakPolarHBondContact OG1-CB 3.38Å; T2491-R2495 PolarHBondContact OG1-N 3.09Å; T2491-R2495 VanDerWaalsContact OG1-N 3.12Å; T2491-R2495 PolarHBondContact OG1-O 3.26Å; T2491-V2497 HydrophobicContact CG2-CB 4.43Å; T2491-V2497 HydrophobicContact CG2-CG2 3.54Å; T2491-V2497 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 2492 | A | 55.4 | Low | 47.3 | Very low | 113.333 Ų | 113.333 | 89.9 Ų | 89.9 | 94% | 0.937 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -27.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G2494 | A2492-G2494 VanDerWaalsContact C-N 3.26Å; A2492-G2494 PolarHBondContact O-N 3.36Å |
| 2493 | D | 53.8 | Low | 48.9 | Very low | 142.667 Ų | 142.667 | 85.1 Ų | 85.1 | 76% | 0.763 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 9.3 | 177.5 | -63 | -19.6 | 0 | 0 | 0 | 113.9 | T2491 R2495 | T2491-D2493 PolarHBondContact O-N 3.16Å; T2491-D2493 VanDerWaalsContact O-N 3.07Å; D2493-R2495 VanDerWaalsContact C-N 3.34Å; D2493-R2495 PolarHBondContact O-N 3.26Å |
| 2494 | G | 50.4 | Low | 50.8 | Low | 43.3333 Ų | 43.3333 | 75.9 Ų | 75.9 | 45% | 0.447 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 75.7 | 14.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q2437 T2491 A2492 | Q2437-G2494 PolarHBondContact NE2-O 3.49Å; T2491-G2494 PolarHBondContact O-N 3.01Å; A2492-G2494 VanDerWaalsContact C-N 3.26Å; A2492-G2494 PolarHBondContact O-N 3.36Å |
| 2495 | R | 43.9 | Very low | 52.7 | Low | 131.667 Ų | 131.667 | 73 Ų | 73 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | trans | -83.3 | 134.2 | 173.1 | -58.8 | -173.8 | -177.4 | 178.3 | 4.3 | 110.6 | D2435 L2490 T2491 D2493 V2497 | D2435-R2495 WeakPolarHBondContact OD2-CD 3.4Å; D2435-R2495 IonicContact OD2-NH1 3.1Å; D2435-R2495 PolarHBondContact OD2-NH1 3.16Å; D2435-R2495 VanDerWaalsContact OD2-NH1 3.15Å; L2490-R2495 CarbonylContact C-O 3.45Å; L2490-R2495 WeakPolarHBondContact CA-O 3.41Å; T2491-R2495 PolarHBondContact N-O 3.22Å; T2491-R2495 WeakPolarHBondContact OG1-CB 3.38Å; T2491-R2495 PolarHBondContact OG1-N 3.09Å; T2491-R2495 VanDerWaalsContact OG1-N 3.12Å; T2491-R2495 PolarHBondContact OG1-O 3.26Å; D2493-R2495 VanDerWaalsContact C-N 3.34Å; D2493-R2495 PolarHBondContact O-N 3.26Å; R2495-V2497 HydrophobicContact CB-CG2 4.45Å | ||
| 2496 | Q | 45.7 | Very low | 54.5 | Low | 89.6667 Ų | 89.6667 | 69.5 Ų | 69.5 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.9 | 172 | -70.7 | -178.6 | 2.6 | 0 | 0 | 108.7 | V2436 V2488 Q2489 L2490 | V2436-Q2496 WeakPolarHBondContact CA-O 3.47Å; V2436-Q2496 HydrophobicContact CB-CB 4.04Å; V2436-Q2496 WeakPolarHBondContact CB-O 3.37Å; V2436-Q2496 HydrophobicContact CG2-CB 4.26Å; V2436-Q2496 VanDerWaalsContact CG2-O 3.26Å; V2436-Q2496 WeakPolarHBondContact CG2-O 3.44Å; V2436-Q2496 PolarHBondContact N-O 3.19Å; V2488-Q2496 HydrophobicContact CG1-CB 4.26Å; V2488-Q2496 HydrophobicContact CG1-CG 4.37Å; Q2489-Q2496 WeakPolarHBondContact O-CA 3.34Å; L2490-Q2496 HydrophobicContact CD2-CG 3.95Å; L2490-Q2496 HydrophobicContact CG-CG 4.43Å |
| 2497 | V | 47.3 | Very low | 56.7 | Low | 8.33333 Ų | 8.33333 | 68.7 Ų | 68.7 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.3 | -179.9 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | L2433 V2434 V2488 Q2489 T2491 R2495 | L2433-V2497 HydrophobicContact CB-CG1 3.58Å; L2433-V2497 VanDerWaalsContact CB-CG1 3.5Å; L2433-V2497 HydrophobicContact CD2-CB 4.25Å; L2433-V2497 HydrophobicContact CD2-CG1 3.46Å; L2433-V2497 VanDerWaalsContact CD2-CG1 3.46Å; L2433-V2497 HydrophobicContact CG-CG1 4.06Å; V2434-V2497 CarbonylContact O-C 3.56Å; V2434-V2497 WeakPolarHBondContact O-CA 3.37Å; V2434-V2497 WeakPolarHBondContact O-CG1 3.26Å; V2488-V2497 WeakPolarHBondContact CA-O 3.37Å; Q2489-V2497 PolarHBondContact N-O 3.31Å; Q2489-V2497 PolarHBondContact O-N 3.25Å; Q2489-V2497 VanDerWaalsContact O-N 3.1Å; T2491-V2497 HydrophobicContact CG2-CB 4.43Å; T2491-V2497 HydrophobicContact CG2-CG2 3.54Å; T2491-V2497 VanDerWaalsContact CG2-CG2 3.49Å; R2495-V2497 HydrophobicContact CB-CG2 4.45Å |
| 2498 | I | 51.4 | Low | 58.7 | Low | 54.6667 Ų | 54.6667 | 64.9 Ų | 64.9 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118 | 170.6 | -67.5 | 161.1 | 0 | 0 | 0 | 107.3 | V2434 V2436 V2488 T2500 | V2434-I2498 PolarHBondContact N-O 3.13Å; V2434-I2498 PolarHBondContact O-N 3.03Å; V2436-I2498 HydrophobicContact CG2-CB 4.3Å; V2436-I2498 HydrophobicContact CG2-CD1 3.5Å; V2436-I2498 HydrophobicContact CG2-CG1 3.44Å; V2436-I2498 VanDerWaalsContact CG2-CG1 3.48Å; V2488-I2498 HydrophobicContact CG2-CG1 4.22Å; I2498-T2500 HydrophobicContact CG2-CG2 3.88Å; I2498-T2500 PolarHBondContact O-N 3.19Å |
| 2499 | L | 48.2 | Very low | 60.4 | Low | 31.6667 Ų | 31.6667 | 68.8 Ų | 68.8 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.1 | 167.5 | -155.7 | 90.5 | 0 | 0 | 0 | 108.4 | M2432 L2433 S2486 T2487 T2501 | M2432-L2499 WeakPolarHBondContact O-CA 3.31Å; L2433-L2499 HydrophobicContact CD2-CD1 3.62Å; L2433-L2499 HydrophobicContact CD2-CG 4.37Å; L2433-L2499 HydrophobicContact CG-CD1 4.21Å; S2486-L2499 VanDerWaalsContact CA-O 3.32Å; S2486-L2499 WeakPolarHBondContact CA-O 3.49Å; T2487-L2499 PolarHBondContact N-O 3.49Å; T2487-L2499 WeakPolarHBondContact O-CB 3.35Å; T2487-L2499 PolarHBondContact O-N 3.22Å; T2487-L2499 VanDerWaalsContact O-N 3.1Å; L2499-T2501 HydrophobicContact CD2-CG2 4.4Å |
| 2500 | T | 55.4 | Low | 62.2 | Low | 46.3333 Ų | 46.3333 | 67.1 Ų | 67.1 | 28% | 0.284 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.7 | 170.4 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | M2432 V2434 I2498 | M2432-T2500 PolarHBondContact N-O 3Å; M2432-T2500 PolarHBondContact O-N 2.96Å; M2432-T2500 PolarHBondContact O-OG1 3.01Å; V2434-T2500 HydrophobicContact CG2-CG2 4.26Å; I2498-T2500 HydrophobicContact CG2-CG2 3.88Å; I2498-T2500 PolarHBondContact O-N 3.19Å |
| 2501 | T | 61.1 | Low | 64.3 | Low | 51.3333 Ų | 51.3333 | 61.7 Ų | 61.7 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 129.8 | 175.8 | 54.3 | 0 | 0 | 0 | 0 | 110.1 | R2430 N2485 L2499 | R2430-T2501 CarbonylContact O-C 3.32Å; R2430-T2501 WeakPolarHBondContact O-CA 3.23Å; N2485-T2501 WeakPolarHBondContact CB-OG1 3.44Å; N2485-T2501 PolarHBondContact ND2-OG1 3.27Å; L2499-T2501 HydrophobicContact CD2-CG2 4.4Å |
| 2502 | K | 65.1 | Low | 66.2 | Low | 91.6667 Ų | 91.6667 | 59.5 Ų | 59.5 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.6 | 172.6 | -174.4 | -175 | 170.1 | -151.5 | 0 | 108.8 | R2430 M2432 E2504 | R2430-K2502 PolarHBondContact N-O 3.34Å; R2430-K2502 PolarHBondContact O-N 3.11Å; M2432-K2502 HydrophobicContact CE-CB 4.29Å; M2432-K2502 HydrophobicContact CE-CD 3.99Å; K2502-E2504 HydrophobicContact CD-CG 4.31Å; K2502-E2504 WeakPolarHBondContact CD-OE1 3.4Å; K2502-E2504 WeakPolarHBondContact CE-OE1 3.21Å; K2502-E2504 HydrophobicContact CG-CG 4.36Å; K2502-E2504 IonicContact NZ-OE1 3.37Å; K2502-E2504 PolarHBondContact NZ-OE1 3.1Å |
| 2503 | T | 67.6 | Low | 67.7 | Low | 20.6667 Ų | 20.6667 | 54.6 Ų | 54.6 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 128.6 | 171.8 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | D2362 G2428 H2429 | D2362-T2503 VanDerWaalsContact CG-OG1 3.23Å; D2362-T2503 PolarHBondContact N-OG1 2.93Å; D2362-T2503 PolarHBondContact OD2-OG1 3.04Å; G2428-T2503 CarbonylContact O-C 3.55Å; G2428-T2503 VanDerWaalsContact O-CA 3.3Å; G2428-T2503 WeakPolarHBondContact O-CA 3.42Å; H2429-T2503 VanDerWaalsContact CE1-CG2 3.4Å; H2429-T2503 WeakPolarHBondContact CE1-CG2 3.34Å; H2429-T2503 WeakPolarHBondContact ND1-CG2 3.42Å |
| 2504 | E | 72 | Confident | 69.3 | Low | 44.6667 Ų | 44.6667 | 49.5 Ų | 49.5 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 150 | 176 | -63.4 | -170.1 | 156.1 | 0 | 0 | 109.5 | G2427 G2428 R2430 K2502 V2506 | G2427-E2504 WeakPolarHBondContact CA-O 3.3Å; G2428-E2504 PolarHBondContact N-O 3.32Å; G2428-E2504 PolarHBondContact O-N 3.27Å; R2430-E2504 HydrophobicContact CB-CG 4.46Å; R2430-E2504 VanDerWaalsContact CD-OE2 3.27Å; R2430-E2504 WeakPolarHBondContact CD-OE2 3.23Å; R2430-E2504 IonicContact NH1-OE2 3.39Å; R2430-E2504 PolarHBondContact NH1-OE2 2.94Å; K2502-E2504 HydrophobicContact CD-CG 4.31Å; K2502-E2504 WeakPolarHBondContact CD-OE1 3.4Å; K2502-E2504 WeakPolarHBondContact CE-OE1 3.21Å; K2502-E2504 HydrophobicContact CG-CG 4.36Å; K2502-E2504 IonicContact NZ-OE1 3.37Å; K2502-E2504 PolarHBondContact NZ-OE1 3.1Å; E2504-V2506 PolarHBondContact O-N 2.62Å |
| 2505 | W | 78.6 | Confident | 71.1 | Confident | 31.6667 Ų | 31.6667 | 48.8 Ų | 48.8 | 12% | 0.12 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.6 | 176 | 174.5 | -107.7 | 0 | 0 | 0 | 110.3 | G2247 T2248 F2249 L2315 W2358 P2359 V2361 F2424 | G2247-W2505 VanDerWaalsContact O-CB 3.26Å; G2247-W2505 WeakPolarHBondContact O-CB 3.18Å; T2248-W2505 VanDerWaalsContact O-CD1 3.31Å; F2249-W2505 HydrophobicContact CB-CG 4.47Å; F2249-W2505 HydrophobicContact CB-CZ2 4.26Å; F2249-W2505 AromaticContact CD1-CD2 3.6Å; F2249-W2505 HydrophobicContact CD1-CD2 3.6Å; F2249-W2505 AromaticContact CD1-CE2 3.31Å; F2249-W2505 AromaticContact CD1-CE3 3.81Å; F2249-W2505 HydrophobicContact CD1-CE3 3.81Å; F2249-W2505 AromaticContact CD1-CG 3.94Å; F2249-W2505 HydrophobicContact CD1-CG 4.18Å; F2249-W2505 AromaticContact CD1-CH2 3.69Å; F2249-W2505 HydrophobicContact CD1-CH2 3.69Å; F2249-W2505 AromaticContact CD1-CZ2 3.41Å; F2249-W2505 HydrophobicContact CD1-CZ2 3.74Å; F2249-W2505 VanDerWaalsContact CD1-CZ2 3.5Å; F2249-W2505 AromaticContact CD1-CZ3 3.86Å; F2249-W2505 HydrophobicContact CD1-CZ3 3.99Å; F2249-W2505 AromaticContact CD1-NE1 3.82Å; F2249-W2505 HydrophobicContact CD2-CZ2 4.12Å; F2249-W2505 AromaticContact CE1-CD2 3.8Å; F2249-W2505 HydrophobicContact CE1-CD2 3.96Å; F2249-W2505 AromaticContact CE1-CE2 3.82Å; F2249-W2505 AromaticContact CE1-CE3 3.69Å; F2249-W2505 HydrophobicContact CE1-CE3 3.69Å; F2249-W2505 VanDerWaalsContact CE1-CE3 3.5Å; F2249-W2505 AromaticContact CE1-CH2 3.57Å; F2249-W2505 HydrophobicContact CE1-CH2 3.57Å; F2249-W2505 VanDerWaalsContact CE1-CH2 3.45Å; F2249-W2505 AromaticContact CE1-CZ2 3.75Å; F2249-W2505 HydrophobicContact CE1-CZ2 3.84Å; F2249-W2505 AromaticContact CE1-CZ3 3.49Å; F2249-W2505 HydrophobicContact CE1-CZ3 3.49Å; F2249-W2505 VanDerWaalsContact CE1-CZ3 3.46Å; F2249-W2505 AromaticContact CE2-CH2 3.96Å; F2249-W2505 HydrophobicContact CE2-CH2 3.96Å; F2249-W2505 AromaticContact CE2-CZ2 3.78Å; F2249-W2505 HydrophobicContact CE2-CZ2 3.78Å; F2249-W2505 HydrophobicContact CG-CD2 4.28Å; F2249-W2505 AromaticContact CG-CE2 3.83Å; F2249-W2505 HydrophobicContact CG-CG 4.43Å; F2249-W2505 HydrophobicContact CG-CH2 4.41Å; F2249-W2505 AromaticContact CG-CZ2 3.91Å; F2249-W2505 HydrophobicContact CG-CZ2 4.09Å; F2249-W2505 AromaticContact CG-NE1 3.96Å; F2249-W2505 HydrophobicContact CZ-CD2 4.36Å; F2249-W2505 HydrophobicContact CZ-CE3 4.11Å; F2249-W2505 AromaticContact CZ-CH2 3.42Å; F2249-W2505 HydrophobicContact CZ-CH2 3.92Å; F2249-W2505 VanDerWaalsContact CZ-CH2 3.42Å; F2249-W2505 AromaticContact CZ-CZ2 3.7Å; F2249-W2505 HydrophobicContact CZ-CZ2 4.01Å; F2249-W2505 AromaticContact CZ-CZ3 3.63Å; F2249-W2505 HydrophobicContact CZ-CZ3 3.93Å; L2315-W2505 HydrophobicContact CB-CZ2 4.47Å; L2315-W2505 HydrophobicContact CD2-CZ2 4.32Å; L2315-W2505 PolarHBondContact O-NE1 3.32Å; W2358-W2505 AromaticContact CE2-CH2 3.84Å; W2358-W2505 AromaticContact CE2-CZ3 3.89Å; W2358-W2505 AromaticContact CZ2-CH2 3.63Å; W2358-W2505 HydrophobicContact CZ2-CH2 3.63Å; W2358-W2505 AromaticContact CZ2-CZ3 3.98Å; W2358-W2505 HydrophobicContact CZ2-CZ3 4.08Å; W2358-W2505 AromaticContact NE1-CH2 3.61Å; W2358-W2505 AromaticContact NE1-CZ3 3.75Å; P2359-W2505 HydrophobicContact CB-CE3 4.3Å; P2359-W2505 HydrophobicContact CB-CZ3 3.81Å; V2361-W2505 HydrophobicContact CG2-CB 4.29Å; V2361-W2505 HydrophobicContact CG2-CE3 4.29Å; F2424-W2505 VanDerWaalsContact O-CH2 3.26Å; F2424-W2505 WeakPolarHBondContact O-CH2 3.46Å; F2424-W2505 WeakPolarHBondContact O-CZ2 3.37Å |
| 2506 | V | 79.1 | Confident | 73.3 | Confident | 26.3333 Ų | 26.3333 | 42.6 Ų | 42.6 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.6 | 172.5 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | P2349 V2351 G2425 G2426 E2504 | P2349-V2506 HydrophobicContact CB-CG2 4.11Å; P2349-V2506 HydrophobicContact CG-CG2 4.04Å; P2349-V2506 WeakPolarHBondContact O-CG1 3.4Å; P2349-V2506 VanDerWaalsContact O-CG2 3.31Å; P2349-V2506 WeakPolarHBondContact O-CG2 3.23Å; V2351-V2506 HydrophobicContact CG2-CB 3.83Å; V2351-V2506 HydrophobicContact CG2-CG1 3.89Å; V2351-V2506 HydrophobicContact CG2-CG2 4.44Å; G2425-V2506 CarbonylContact C-O 3.57Å; G2425-V2506 WeakPolarHBondContact CA-O 3.34Å; G2426-V2506 PolarHBondContact N-O 3.11Å; G2426-V2506 WeakPolarHBondContact O-CA 3.3Å; G2426-V2506 WeakPolarHBondContact O-CB 3.33Å; G2426-V2506 PolarHBondContact O-N 3.21Å; E2504-V2506 PolarHBondContact O-N 2.62Å |
| 2507 | Q | 81.7 | Confident | 75.1 | Confident | 53.3333 Ų | 53.3333 | 42 Ų | 42 | 25% | 0.249 | 20% | 0.204 | C | C | . | . | trans | -67.8 | 157.9 | 179.8 | 69.1 | -178.5 | 5.9 | 0 | 0 | 112.6 | D2317 S2320 | D2317-Q2507 VanDerWaalsContact N-OE1 3.16Å; D2317-Q2507 PolarHBondContact O-OE1 3.04Å; S2320-Q2507 PolarHBondContact OG-NE2 2.99Å; S2320-Q2507 PolarHBondContact OG-OE1 3.06Å | ||
| 2508 | P | 85.7 | Confident | 76.8 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | trans | -64.1 | 151.2 | 173 | 29 | -37 | 0 | 0 | 0 | 112 | Y2312 L2315 T2422 I2423 | Y2312-P2508 HydrophobicContact CD2-CB 4.2Å; Y2312-P2508 HydrophobicContact CD2-CG 3.86Å; Y2312-P2508 HydrophobicContact CE2-CB 4.17Å; Y2312-P2508 HydrophobicContact CE2-CG 3.95Å; L2315-P2508 HydrophobicContact CB-CG 3.74Å; L2315-P2508 HydrophobicContact CD1-CG 4.41Å; L2315-P2508 WeakPolarHBondContact O-CD 3.22Å; T2422-P2508 WeakPolarHBondContact O-CB 3.29Å; I2423-P2508 VanDerWaalsContact O-CB 3.22Å; I2423-P2508 WeakPolarHBondContact O-CB 3.33Å | ||
| 2509 | R | 83 | Confident | 78.2 | Confident | 172.667 Ų | 172.667 | 44.1 Ų | 44.1 | 65% | 0.652 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -91.1 | -31.5 | 179.5 | -69.3 | -175.1 | 173.2 | -178.3 | -0.3 | 113 | T2422 | T2422-R2509 HydrophobicContact CG2-CB 4.11Å; T2422-R2509 PolarHBondContact O-N 3.17Å |
| 2510 | K | 86.2 | Confident | 79.6 | Confident | 73.6667 Ų | 73.6667 | 42.6 Ų | 42.6 | 32% | 0.32 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -143.3 | 149.3 | -178.1 | -66.1 | -173.6 | 177 | -178.1 | 0 | 109.8 | Y2312 T2422 F2515 T2518 | Y2312-K2510 VanDerWaalsContact CE2-C 3.47Å; T2422-K2510 HydrophobicContact CG2-CB 4.47Å; T2422-K2510 PolarHBondContact O-N 3.11Å; K2510-F2515 HydrophobicContact CB-CB 4.42Å; K2510-T2518 HydrophobicContact CD-CG2 4.34Å; K2510-T2518 PolarHBondContact NZ-OG1 3.35Å |
| 2511 | S | 88.4 | Confident | 80.2 | Confident | 14.3333 Ų | 14.3333 | 45.7 Ų | 45.7 | 10% | 0.1 | 23% | 0.229 | C | C | . | . | trans | -66.1 | 158.5 | 165.8 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | D2108 I2513 S2514 F2515 | D2108-S2511 WeakPolarHBondContact OD1-CB 3.45Å; D2108-S2511 PolarHBondContact OD1-OG 3.49Å; S2511-I2513 PolarHBondContact O-N 3.17Å; S2511-S2514 PolarHBondContact O-N 3.25Å; S2511-S2514 WeakPolarHBondContact OG-CB 3.37Å; S2511-S2514 PolarHBondContact OG-N 3.25Å; S2511-S2514 VanDerWaalsContact OG-N 3.12Å; S2511-F2515 WeakPolarHBondContact O-CB 3.33Å; S2511-F2515 PolarHBondContact O-N 3.11Å | ||
| 2512 | V | 89.7 | Confident | 80.4 | Confident | 4.66667 Ų | 4.66667 | 44.9 Ų | 44.9 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.6 | -45.7 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | S2308 I2390 I2423 F2424 F2515 Y2516 | S2308-V2512 PolarHBondContact OG-N 3.48Å; I2390-V2512 HydrophobicContact CB-CG1 4.23Å; I2390-V2512 HydrophobicContact CD1-CB 4.17Å; I2390-V2512 HydrophobicContact CD1-CG1 4.45Å; I2390-V2512 HydrophobicContact CD1-CG2 4.02Å; I2390-V2512 HydrophobicContact CG2-CB 4.17Å; I2390-V2512 HydrophobicContact CG2-CG1 3.71Å; I2423-V2512 HydrophobicContact CB-CG2 4.19Å; I2423-V2512 HydrophobicContact CD1-CG1 4.5Å; I2423-V2512 HydrophobicContact CD1-CG2 4.41Å; I2423-V2512 HydrophobicContact CG2-CB 4.34Å; I2423-V2512 HydrophobicContact CG2-CG2 3.42Å; I2423-V2512 VanDerWaalsContact CG2-CG2 3.46Å; F2424-V2512 HydrophobicContact CE1-CG2 4.45Å; V2512-F2515 WeakPolarHBondContact O-CB 3.31Å; V2512-F2515 PolarHBondContact O-N 2.78Å; V2512-Y2516 HydrophobicContact CG1-CD2 3.97Å; V2512-Y2516 HydrophobicContact CG1-CE2 3.79Å; V2512-Y2516 WeakPolarHBondContact O-CD2 3.38Å; V2512-Y2516 PolarHBondContact O-N 3.22Å; V2512-Y2516 VanDerWaalsContact O-N 3.14Å |
| 2513 | I | 88.3 | Confident | 80 | Confident | 10.6667 Ų | 10.6667 | 43.1 Ų | 43.1 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -45.9 | -179.7 | -67.8 | 179.4 | 0 | 0 | 0 | 111.6 | Q2305 S2308 I2390 L2394 W2406 S2511 F2515 Y2516 M2517 | Q2305-I2513 HydrophobicContact CB-CD1 3.93Å; Q2305-I2513 HydrophobicContact CG-CD1 3.53Å; Q2305-I2513 VanDerWaalsContact CG-CD1 3.45Å; S2308-I2513 PolarHBondContact OG-N 3.17Å; I2390-I2513 HydrophobicContact CG2-CD1 4.15Å; I2390-I2513 HydrophobicContact CG2-CG1 3.72Å; L2394-I2513 HydrophobicContact CD1-CG1 4.07Å; L2394-I2513 HydrophobicContact CD2-CD1 4.41Å; L2394-I2513 HydrophobicContact CD2-CG1 4.37Å; W2406-I2513 HydrophobicContact CH2-CG2 4.5Å; S2511-I2513 PolarHBondContact O-N 3.17Å; I2513-F2515 PolarHBondContact O-N 3.21Å; I2513-F2515 VanDerWaalsContact O-N 3.17Å; I2513-Y2516 CarbonylContact O-C 3.47Å; I2513-Y2516 PolarHBondContact O-N 3.15Å; I2513-Y2516 VanDerWaalsContact O-N 3.11Å; I2513-M2517 HydrophobicContact CG2-CE 3.56Å; I2513-M2517 VanDerWaalsContact CG2-CE 3.49Å; I2513-M2517 HydrophobicContact CG2-CG 4.05Å; I2513-M2517 HydrophobicContact CG2-SD 4.21Å; I2513-M2517 WeakPolarHBondContact O-CG 3.34Å; I2513-M2517 PolarHBondContact O-N 3.29Å |
| 2514 | S | 86.9 | Confident | 79.4 | Confident | 36.3333 Ų | 36.3333 | 50 Ų | 50 | 25% | 0.254 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.2 | -36.3 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | D2108 S2511 M2517 T2518 | D2108-S2514 WeakPolarHBondContact OD2-CB 3.19Å; D2108-S2514 PolarHBondContact OD2-OG 2.9Å; S2511-S2514 PolarHBondContact O-N 3.25Å; S2511-S2514 WeakPolarHBondContact OG-CB 3.37Å; S2511-S2514 PolarHBondContact OG-N 3.25Å; S2511-S2514 VanDerWaalsContact OG-N 3.12Å; S2514-M2517 PolarHBondContact O-N 3.11Å; S2514-T2518 VanDerWaalsContact O-CG2 3.23Å; S2514-T2518 WeakPolarHBondContact O-CG2 3.45Å; S2514-T2518 PolarHBondContact O-N 3.26Å; S2514-T2518 VanDerWaalsContact O-N 3.17Å; S2514-T2518 PolarHBondContact O-OG1 2.85Å |
| 2515 | F | 88.1 | Confident | 78.6 | Confident | 28.3333 Ų | 28.3333 | 54.5 Ų | 54.5 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -52.9 | 172.1 | -178.7 | -86.3 | 0 | 0 | 0 | 111.9 | H2413 L2419 T2422 I2423 K2510 S2511 V2512 I2513 M2517 T2518 | H2413-F2515 HydrophobicContact CB-CE1 3.96Å; H2413-F2515 AromaticContact CD2-CE1 3.97Å; H2413-F2515 AromaticContact CE1-CE1 3.8Å; H2413-F2515 AromaticContact CE1-CZ 3.83Å; H2413-F2515 AromaticContact CG-CE1 3.54Å; H2413-F2515 AromaticContact ND1-CE1 3.43Å; H2413-F2515 WeakPolarHBondContact ND1-CE1 3.39Å; H2413-F2515 AromaticContact ND1-CZ 3.53Å; H2413-F2515 WeakPolarHBondContact ND1-CZ 3.35Å; H2413-F2515 PolarHBondContact NE2-O 3.06Å; L2419-F2515 HydrophobicContact CD1-CD1 3.47Å; L2419-F2515 VanDerWaalsContact CD1-CD1 3.47Å; L2419-F2515 HydrophobicContact CD1-CD2 4.17Å; L2419-F2515 HydrophobicContact CD1-CE1 3.06Å; L2419-F2515 HydrophobicContact CD1-CE2 3.8Å; L2419-F2515 HydrophobicContact CD1-CG 4.03Å; L2419-F2515 HydrophobicContact CD1-CZ 3.25Å; T2422-F2515 HydrophobicContact CG2-CD2 4.06Å; T2422-F2515 HydrophobicContact CG2-CE2 4.46Å; I2423-F2515 HydrophobicContact CD1-CB 4.29Å; I2423-F2515 HydrophobicContact CD1-CD1 4.24Å; I2423-F2515 HydrophobicContact CD1-CG 4.17Å; I2423-F2515 HydrophobicContact CG1-CB 4.23Å; I2423-F2515 HydrophobicContact CG1-CG 4.27Å; I2423-F2515 HydrophobicContact CG2-CB 4.01Å; I2423-F2515 HydrophobicContact CG2-CD2 4.48Å; I2423-F2515 HydrophobicContact CG2-CG 4.15Å; K2510-F2515 HydrophobicContact CB-CB 4.42Å; S2511-F2515 WeakPolarHBondContact O-CB 3.33Å; S2511-F2515 PolarHBondContact O-N 3.11Å; V2512-F2515 WeakPolarHBondContact O-CB 3.31Å; V2512-F2515 PolarHBondContact O-N 2.78Å; I2513-F2515 PolarHBondContact O-N 3.21Å; I2513-F2515 VanDerWaalsContact O-N 3.17Å; F2515-M2517 VanDerWaalsContact C-N 3.28Å; F2515-M2517 PolarHBondContact O-N 3.21Å; F2515-T2518 VanDerWaalsContact O-CB 3.26Å; F2515-T2518 WeakPolarHBondContact O-CB 3.41Å; F2515-T2518 PolarHBondContact O-N 3.32Å; F2515-T2518 VanDerWaalsContact O-N 3.09Å; F2515-T2518 PolarHBondContact O-OG1 2.95Å |
| 2516 | Y | 88.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.5 | -22.1 | 178.8 | -72.7 | -66.6 | 0 | 0 | 0 | 114 | W2387 F2391 L2394 R2409 L2410 H2413 V2512 I2513 T2518 | W2387-Y2516 WeakPolarHBondContact CZ2-OH 3.35Å; W2387-Y2516 AromaticContact NE1-CE2 3.94Å; W2387-Y2516 AromaticContact NE1-CZ 3.99Å; W2387-Y2516 PolarHBondContact NE1-OH 2.86Å; W2387-Y2516 VanDerWaalsContact NE1-OH 3.11Å; F2391-Y2516 HydrophobicContact CD2-CD2 4.48Å; F2391-Y2516 AromaticContact CD2-CE1 3.96Å; F2391-Y2516 HydrophobicContact CD2-CE1 4Å; F2391-Y2516 AromaticContact CD2-CE2 3.85Å; F2391-Y2516 HydrophobicContact CD2-CE2 3.85Å; F2391-Y2516 AromaticContact CD2-CZ 3.5Å; F2391-Y2516 VanDerWaalsContact CD2-CZ 3.46Å; F2391-Y2516 WeakPolarHBondContact CD2-OH 3.36Å; F2391-Y2516 AromaticContact CE2-CE1 3.89Å; F2391-Y2516 HydrophobicContact CE2-CE1 3.89Å; F2391-Y2516 HydrophobicContact CE2-CE2 4.43Å; F2391-Y2516 AromaticContact CE2-CZ 3.82Å; L2394-Y2516 HydrophobicContact CD1-CD2 4.26Å; R2409-Y2516 WeakPolarHBondContact CB-O 3.48Å; L2410-Y2516 HydrophobicContact CD2-CD1 3.83Å; L2410-Y2516 HydrophobicContact CD2-CD2 4.3Å; L2410-Y2516 HydrophobicContact CD2-CE1 4.35Å; L2410-Y2516 HydrophobicContact CD2-CG 3.78Å; H2413-Y2516 HydrophobicContact CB-CD1 4.27Å; H2413-Y2516 HydrophobicContact CB-CE1 4.04Å; H2413-Y2516 AromaticContact CD2-CD1 3.78Å; V2512-Y2516 HydrophobicContact CG1-CD2 3.97Å; V2512-Y2516 HydrophobicContact CG1-CE2 3.79Å; V2512-Y2516 WeakPolarHBondContact O-CD2 3.38Å; V2512-Y2516 PolarHBondContact O-N 3.22Å; V2512-Y2516 VanDerWaalsContact O-N 3.14Å; I2513-Y2516 CarbonylContact O-C 3.47Å; I2513-Y2516 PolarHBondContact O-N 3.15Å; I2513-Y2516 VanDerWaalsContact O-N 3.11Å; Y2516-T2518 VanDerWaalsContact C-N 3.28Å |
| 2517 | M | 83.5 | Confident | 76.3 | Confident | 75.6667 Ų | 75.6667 | 57 Ų | 57 | 37% | 0.373 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.9 | -28.6 | 169.7 | -65.5 | -155.9 | 172.8 | 0 | 0 | 111.8 | W2406 R2409 I2513 S2514 F2515 | W2406-M2517 HydrophobicContact CH2-CB 4.27Å; W2406-M2517 HydrophobicContact CH2-CE 3.67Å; W2406-M2517 HydrophobicContact CH2-CG 3.41Å; W2406-M2517 VanDerWaalsContact CH2-CG 3.48Å; W2406-M2517 HydrophobicContact CH2-SD 3.91Å; W2406-M2517 HydrophobicContact CZ2-CE 4.26Å; W2406-M2517 HydrophobicContact CZ2-CG 3.79Å; W2406-M2517 HydrophobicContact CZ2-SD 4.24Å; W2406-M2517 HydrophobicContact CZ3-CB 4.24Å; W2406-M2517 HydrophobicContact CZ3-CE 4.31Å; W2406-M2517 HydrophobicContact CZ3-CG 3.94Å; R2409-M2517 VanDerWaalsContact CZ-O 3.28Å; R2409-M2517 PolarHBondContact NH1-O 3.08Å; I2513-M2517 HydrophobicContact CG2-CE 3.56Å; I2513-M2517 VanDerWaalsContact CG2-CE 3.49Å; I2513-M2517 HydrophobicContact CG2-CG 4.05Å; I2513-M2517 HydrophobicContact CG2-SD 4.21Å; I2513-M2517 WeakPolarHBondContact O-CG 3.34Å; I2513-M2517 PolarHBondContact O-N 3.29Å; S2514-M2517 PolarHBondContact O-N 3.11Å; F2515-M2517 VanDerWaalsContact C-N 3.28Å; F2515-M2517 PolarHBondContact O-N 3.21Å |
| 2518 | T | 84 | Confident | 74.9 | Confident | 47.3333 Ų | 47.3333 | 62.5 Ų | 62.5 | 29% | 0.29 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -70.9 | 143.8 | -179.8 | -24 | 0 | 0 | 0 | 0 | 111.1 | H2413 K2510 S2514 F2515 Y2516 | H2413-T2518 PolarHBondContact CE1-O 3.4Å; H2413-T2518 PolarHBondContact NE2-O 3.08Å; K2510-T2518 HydrophobicContact CD-CG2 4.34Å; K2510-T2518 PolarHBondContact NZ-OG1 3.35Å; S2514-T2518 VanDerWaalsContact O-CG2 3.23Å; S2514-T2518 WeakPolarHBondContact O-CG2 3.45Å; S2514-T2518 PolarHBondContact O-N 3.26Å; S2514-T2518 VanDerWaalsContact O-N 3.17Å; S2514-T2518 PolarHBondContact O-OG1 2.85Å; F2515-T2518 VanDerWaalsContact O-CB 3.26Å; F2515-T2518 WeakPolarHBondContact O-CB 3.41Å; F2515-T2518 PolarHBondContact O-N 3.32Å; F2515-T2518 VanDerWaalsContact O-N 3.09Å; F2515-T2518 PolarHBondContact O-OG1 2.95Å; Y2516-T2518 VanDerWaalsContact C-N 3.28Å |
| 2519 | K | 80.5 | Confident | 73.4 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -61 | 131 | 176.1 | -175 | 176.6 | 173.1 | -179.6 | 0 | 110.2 | C2521 D2533 | K2519-C2521 PolarHBondContact O-N 3.21Å; K2519-D2533 WeakPolarHBondContact CE-OD1 3.28Å; K2519-D2533 IonicContact NZ-OD1 3.46Å; K2519-D2533 PolarHBondContact NZ-OD1 3.27Å; K2519-D2533 IonicContact NZ-OD2 3.75Å; K2519-D2533 PolarHBondContact NZ-OD2 2.93Å |
| 2520 | P | 78.3 | Confident | 72.2 | Confident | 1.66667 Ų | 1.66667 | 59.9 Ų | 59.9 | 1% | 0.011 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 126.7 | 175.4 | 27.7 | -32.8 | 0 | 0 | 0 | 109.9 | Y2408 A2412 L2522 | Y2408-P2520 HydrophobicContact CD1-CG 4.35Å; Y2408-P2520 HydrophobicContact CE1-CG 3.61Å; A2412-P2520 HydrophobicContact CB-CB 4.17Å; A2412-P2520 HydrophobicContact CB-CG 3.84Å; P2520-L2522 PolarHBondContact O-N 3.2Å |
| 2521 | C | 68.2 | Low | 70.8 | Confident | 111.333 Ų | 111.333 | 63.6 Ų | 63.6 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | trans | -81.5 | 103.4 | 171.7 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | K2519 | K2519-C2521 PolarHBondContact O-N 3.21Š| ||
| 2522 | L | 63.7 | Low | 69.7 | Low | 33.6667 Ų | 33.6667 | 64.6 Ų | 64.6 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | trans | -87.1 | 153.9 | 167.6 | -61.2 | 176.9 | 0 | 0 | 0 | 107.6 | Y2408 P2520 A2526 E2527 F2530 F2678 | Y2408-L2522 VanDerWaalsContact OH-CD1 3.28Å; Y2408-L2522 WeakPolarHBondContact OH-CD1 3.16Å; P2520-L2522 PolarHBondContact O-N 3.2Å; L2522-A2526 HydrophobicContact CB-CB 3.85Å; L2522-A2526 HydrophobicContact CD1-CB 4.48Å; L2522-E2527 HydrophobicContact CB-CG 4.36Å; L2522-E2527 PolarHBondContact N-OE1 3.23Å; L2522-F2530 HydrophobicContact CD1-CD2 4.31Å; L2522-F2530 HydrophobicContact CD1-CE2 3.97Å; L2522-F2530 HydrophobicContact CD1-CZ 4.32Å; L2522-F2678 HydrophobicContact CD1-CD2 4.04Å; L2522-F2678 HydrophobicContact CD1-CE2 4.09Å; L2522-F2678 HydrophobicContact CD2-CE2 4.21Å | ||
| 2523 | G | 58.5 | Low | 68.4 | Low | 55 Ų | 55 | 67 Ų | 67 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | trans | -53.7 | 151 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D2525 A2526 E2527 | G2523-D2525 PolarHBondContact O-N 3.24Å; G2523-A2526 WeakPolarHBondContact O-CA 3.41Å; G2523-A2526 WeakPolarHBondContact O-CB 3.37Å; G2523-A2526 PolarHBondContact O-N 3.23Å; G2523-E2527 PolarHBondContact O-N 3.18Å | ||
| 2524 | K | 54.8 | Low | 67.1 | Low | 165.333 Ų | 165.333 | 67.7 Ų | 67.7 | 72% | 0.719 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -47.4 | -40 | -174.4 | -67.4 | -176.2 | 176.8 | -176.4 | 0 | 113.4 | A2526 E2527 E2528 | K2524-A2526 VanDerWaalsContact C-N 3.26Å; K2524-A2526 PolarHBondContact O-N 3.21Å; K2524-E2527 PolarHBondContact O-N 3.03Å; K2524-E2528 PolarHBondContact O-N 3.34Å |
| 2525 | D | 54 | Low | 65.6 | Low | 138.333 Ų | 138.333 | 72.2 Ų | 72.2 | 74% | 0.74 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -31.7 | 179.5 | -52.8 | -24 | 0 | 0 | 0 | 113.1 | G2523 | G2523-D2525 PolarHBondContact O-N 3.24Å |
| 2526 | A | 55.2 | Low | 63.9 | Low | 27 Ų | 27 | 77.1 Ų | 77.1 | 22% | 0.223 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -80 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L2522 G2523 K2524 E2529 F2530 | L2522-A2526 HydrophobicContact CB-CB 3.85Å; L2522-A2526 HydrophobicContact CD1-CB 4.48Å; G2523-A2526 WeakPolarHBondContact O-CA 3.41Å; G2523-A2526 WeakPolarHBondContact O-CB 3.37Å; G2523-A2526 PolarHBondContact O-N 3.23Å; K2524-A2526 VanDerWaalsContact C-N 3.26Å; K2524-A2526 PolarHBondContact O-N 3.21Å; A2526-E2529 PolarHBondContact O-N 2.84Å; A2526-F2530 HydrophobicContact CB-CE2 4.24Å; A2526-F2530 WeakPolarHBondContact O-CD2 3.29Å; A2526-F2530 WeakPolarHBondContact O-CE2 3.4Å |
| 2527 | E | 54.2 | Low | 61.8 | Low | 83.3333 Ų | 83.3333 | 81.8 Ų | 81.8 | 39% | 0.389 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | -177.2 | -66.8 | -172.5 | 159.3 | 0 | 0 | 112.9 | L2522 G2523 K2524 E2529 F2530 | L2522-E2527 HydrophobicContact CB-CG 4.36Å; L2522-E2527 PolarHBondContact N-OE1 3.23Å; G2523-E2527 PolarHBondContact O-N 3.18Å; K2524-E2527 PolarHBondContact O-N 3.03Å; E2527-E2529 PolarHBondContact O-N 3.18Å; E2527-E2529 VanDerWaalsContact O-N 3.15Å; E2527-F2530 PolarHBondContact O-N 3.36Å |
| 2528 | E | 53 | Low | 59.9 | Low | 168.333 Ų | 168.333 | 83.3 Ų | 83.3 | 79% | 0.787 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24 | 179.6 | -71.3 | -177.3 | -175.7 | 0 | 0 | 113.3 | K2524 | K2524-E2528 PolarHBondContact O-N 3.34Š|
| 2529 | E | 54.8 | Low | 57.8 | Low | 101 Ų | 101 | 85.3 Ų | 85.3 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.7 | -179.2 | -66.9 | -177.4 | 156.4 | 0 | 0 | 114 | A2526 E2527 E2531 R2681 | A2526-E2529 PolarHBondContact O-N 2.84Å; E2527-E2529 PolarHBondContact O-N 3.18Å; E2527-E2529 VanDerWaalsContact O-N 3.15Å; E2529-E2531 PolarHBondContact O-N 2.99Å; E2529-R2681 IonicContact OE2-CZ 2.89Å; E2529-R2681 IonicContact OE2-NH1 2.99Å; E2529-R2681 PolarHBondContact OE2-NH1 2.97Å; E2529-R2681 IonicContact OE2-NH2 2.72Å; E2529-R2681 PolarHBondContact OE2-NH2 2.87Å |
| 2530 | F | 57.5 | Low | 56 | Low | 19.3333 Ų | 19.3333 | 87.8 Ų | 87.8 | 9% | 0.085 | 48% | 0.484 | C | S | . | . | trans | -91.3 | 97.1 | 174.8 | -61.9 | -70 | 0 | 0 | 0 | 108.9 | L2522 A2526 E2527 Y2532 R2674 L2677 F2678 | L2522-F2530 HydrophobicContact CD1-CD2 4.31Å; L2522-F2530 HydrophobicContact CD1-CE2 3.97Å; L2522-F2530 HydrophobicContact CD1-CZ 4.32Å; A2526-F2530 HydrophobicContact CB-CE2 4.24Å; A2526-F2530 WeakPolarHBondContact O-CD2 3.29Å; A2526-F2530 WeakPolarHBondContact O-CE2 3.4Å; E2527-F2530 PolarHBondContact O-N 3.36Å; F2530-Y2532 PolarHBondContact O-N 3.05Å; F2530-R2674 HydrophobicContact CD1-CG 3.92Å; F2530-R2674 HydrophobicContact CE1-CG 4.46Å; F2530-R2674 HydrophobicContact CG-CG 4.34Å; F2530-L2677 HydrophobicContact CD1-CB 4.34Å; F2530-L2677 HydrophobicContact CE1-CB 3.79Å; F2530-F2678 HydrophobicContact CE1-CB 4.34Å; F2530-F2678 HydrophobicContact CZ-CB 4.36Å; F2530-F2678 HydrophobicContact CZ-CD2 4.44Å | ||
| 2531 | E | 57.2 | Low | 54.3 | Low | 151.667 Ų | 151.667 | 95.4 Ų | 95.4 | 71% | 0.709 | 52% | 0.519 | S | S | * | . | trans | -56.7 | -3.2 | 179.7 | -69.4 | 177.4 | 154.4 | 0 | 0 | 115.2 | E2529 R2673 | E2529-E2531 PolarHBondContact O-N 2.99Å; E2531-R2673 IonicContact OE2-CZ 3.73Å; E2531-R2673 IonicContact OE2-NH1 2.73Å; E2531-R2673 PolarHBondContact OE2-NH1 3.27Å; E2531-R2673 IonicContact OE2-NH2 3.18Å; E2531-R2673 PolarHBondContact OE2-NH2 3.21Å | ||
| 2532 | Y | 63.4 | Low | 53 | Low | 34.6667 Ų | 34.6667 | 96.5 Ų | 96.5 | 14% | 0.136 | 52% | 0.517 | C | S | . | . | trans | -123.4 | 117.3 | -173.2 | 179.5 | -110.6 | 0 | 0 | 0 | 113.7 | R2405 F2530 S2534 L2670 P2671 R2674 | R2405-Y2532 PolarHBondContact NH2-OH 3.34Å; F2530-Y2532 PolarHBondContact O-N 3.05Å; Y2532-S2534 WeakPolarHBondContact CE1-OG 3.31Å; Y2532-L2670 HydrophobicContact CD1-CB 4.04Å; Y2532-L2670 HydrophobicContact CD2-CB 3.54Å; Y2532-L2670 VanDerWaalsContact CD2-CB 3.44Å; Y2532-L2670 HydrophobicContact CD2-CD1 3.5Å; Y2532-L2670 VanDerWaalsContact CD2-CD1 3.44Å; Y2532-L2670 HydrophobicContact CD2-CG 4.16Å; Y2532-L2670 HydrophobicContact CE1-CB 4.41Å; Y2532-L2670 HydrophobicContact CE2-CB 4.06Å; Y2532-L2670 HydrophobicContact CE2-CD1 4.08Å; Y2532-L2670 HydrophobicContact CG-CB 3.52Å; Y2532-L2670 VanDerWaalsContact CG-CB 3.48Å; Y2532-L2670 HydrophobicContact CG-CD1 4.21Å; Y2532-L2670 HydrophobicContact CG-CG 4.46Å; Y2532-P2671 HydrophobicContact CD1-CG 4.4Å; Y2532-P2671 HydrophobicContact CE1-CB 4.2Å; Y2532-P2671 HydrophobicContact CE1-CG 3.68Å; Y2532-R2674 PolarHBondContact O-NH1 3.33Å | ||
| 2533 | D | 62.9 | Low | 52 | Low | 56.3333 Ų | 56.3333 | 101.9 Ų | 101.9 | 30% | 0.301 | 55% | 0.546 | S | S | . | . | trans | -92.6 | 127.3 | 165.1 | -159.8 | -11.3 | 0 | 0 | 0 | 111.4 | K2519 E2535 E2536 | K2519-D2533 WeakPolarHBondContact CE-OD1 3.28Å; K2519-D2533 IonicContact NZ-OD1 3.46Å; K2519-D2533 PolarHBondContact NZ-OD1 3.27Å; K2519-D2533 IonicContact NZ-OD2 3.75Å; K2519-D2533 PolarHBondContact NZ-OD2 2.93Å; D2533-E2535 PolarHBondContact O-N 3.11Å; D2533-E2535 PolarHBondContact OD1-N 3.05Å; D2533-E2535 VanDerWaalsContact OD1-N 3.15Å; D2533-E2536 HydrophobicContact CB-CG 4.4Å; D2533-E2536 PolarHBondContact O-N 3.12Å | ||
| 2534 | S | 61.5 | Low | 51.1 | Low | 24.6667 Ų | 24.6667 | 104.4 Ų | 104.4 | 17% | 0.172 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -12.6 | -179.5 | -27 | 0 | 0 | 0 | 0 | 114 | Y2532 R2674 | Y2532-S2534 WeakPolarHBondContact CE1-OG 3.31Å; S2534-R2674 PolarHBondContact OG-NH1 2.85Å; S2534-R2674 VanDerWaalsContact OG-NH1 3.15Å |
| 2535 | E | 55.5 | Low | 50.3 | Low | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -10.2 | 179.7 | -61.5 | -145.9 | 167.8 | 0 | 0 | 114.2 | R2409 D2533 S2537 | R2409-E2535 IonicContact NH2-OE1 2.88Å; R2409-E2535 PolarHBondContact NH2-OE1 2.95Å; R2409-E2535 VanDerWaalsContact NH2-OE1 3.15Å; D2533-E2535 PolarHBondContact O-N 3.11Å; D2533-E2535 PolarHBondContact OD1-N 3.05Å; D2533-E2535 VanDerWaalsContact OD1-N 3.15Å; E2535-S2537 VanDerWaalsContact C-N 3.32Å; E2535-S2537 PolarHBondContact O-N 3.35Å |
| 2536 | E | 52.6 | Low | 49.5 | Very low | 132 Ų | 132 | 102.2 Ų | 102.2 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | trans | -67.2 | 101.5 | 172 | -78.9 | -170.7 | 167.3 | 0 | 0 | 109.6 | D2533 N2538 R2667 | D2533-E2536 HydrophobicContact CB-CG 4.4Å; D2533-E2536 PolarHBondContact O-N 3.12Å; E2536-N2538 PolarHBondContact O-N 3.16Å; E2536-N2538 PolarHBondContact OE2-ND2 3.32Å; E2536-R2667 IonicContact OE2-NH2 3.85Å | ||
| 2537 | S | 44.1 | Very low | 48.7 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 71% | 0.706 | 59% | 0.588 | S | S | * | * | trans | -66.4 | 110.1 | 173.6 | 64.3 | 0 | 0 | 0 | 0 | 109.8 | E2535 S2539 | E2535-S2537 VanDerWaalsContact C-N 3.32Å; E2535-S2537 PolarHBondContact O-N 3.35Å; S2537-S2539 PolarHBondContact O-N 3.08Å | ||
| 2538 | N | 44.3 | Very low | 47.9 | Very low | 107.333 Ų | 107.333 | 114.3 Ų | 114.3 | 57% | 0.574 | 61% | 0.609 | S | S | * | * | trans | -63.2 | 118.4 | 174.2 | -73.3 | -14.8 | 0 | 0 | 0 | 110.4 | E2536 S2540 R2667 | E2536-N2538 PolarHBondContact O-N 3.16Å; E2536-N2538 PolarHBondContact OE2-ND2 3.32Å; N2538-S2540 PolarHBondContact O-N 2.85Å; N2538-R2667 PolarHBondContact OD1-NH1 3.05Å; N2538-R2667 PolarHBondContact OD1-NH2 3.14Å | ||
| 2539 | S | 40.1 | Very low | 47.1 | Very low | 88 Ų | 88 | 115 Ų | 115 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | trans | -63.1 | 116.7 | 160.9 | 46.1 | 0 | 0 | 0 | 0 | 108.2 | S2537 E2541 | S2537-S2539 PolarHBondContact O-N 3.08Å; S2539-E2541 PolarHBondContact O-N 3.11Å | ||
| 2540 | S | 43.2 | Very low | 46.3 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 26.6 | -177.3 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | N2538 | N2538-S2540 PolarHBondContact O-N 2.85Š|
| 2541 | E | 40.9 | Very low | 45.5 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 76% | 0.757 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -11.5 | -172.5 | -66.8 | -156.8 | 162 | 0 | 0 | 115.3 | S2539 | S2539-E2541 PolarHBondContact O-N 3.11Š|
| 2542 | D | 42.1 | Very low | 44.8 | Very low | 134.333 Ų | 134.333 | 124.4 Ų | 124.4 | 72% | 0.718 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -99.7 | -3.8 | -174.6 | -80 | -23 | 0 | 0 | 0 | 115.9 | S2544 | D2542-S2544 VanDerWaalsContact C-N 3.3Å; D2542-S2544 PolarHBondContact O-N 3.31Å; D2542-S2544 VanDerWaalsContact O-N 3.11Å |
| 2543 | D | 42.1 | Very low | 43.7 | Very low | 145.667 Ų | 145.667 | 129.8 Ų | 129.8 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 26.7 | -178.9 | -66.6 | -26.8 | 0 | 0 | 0 | 113.4 | A2545 | D2543-A2545 PolarHBondContact O-N 2.57Š|
| 2544 | S | 38.8 | Very low | 43 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | -105.7 | 27.3 | 172.3 | 58.3 | 0 | 0 | 0 | 0 | 114 | D2542 E2546 | D2542-S2544 VanDerWaalsContact C-N 3.3Å; D2542-S2544 PolarHBondContact O-N 3.31Å; D2542-S2544 VanDerWaalsContact O-N 3.11Å; S2544-E2546 PolarHBondContact O-N 3.28Å; S2544-E2546 VanDerWaalsContact O-N 3.08Å | ||
| 2545 | A | 38.3 | Very low | 42.3 | Very low | 80.6667 Ų | 80.6667 | 137.5 Ų | 137.5 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -104.1 | 114.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D2543 E2547 | D2543-A2545 PolarHBondContact O-N 2.57Å; A2545-E2547 PolarHBondContact O-N 3.36Å |
| 2546 | E | 37.2 | Very low | 42 | Very low | 176.333 Ų | 176.333 | 137 Ų | 137 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | 11 | 88.1 | 163.8 | -55.8 | 178.4 | 175.7 | 0 | 0 | 115.3 | S2544 E2548 | S2544-E2546 PolarHBondContact O-N 3.28Å; S2544-E2546 VanDerWaalsContact O-N 3.08Å; E2546-E2548 HydrophobicContact CB-CG 4.23Å; E2546-E2548 PolarHBondContact O-N 3.27Å | ||
| 2547 | E | 38.2 | Very low | 41.9 | Very low | 189.333 Ų | 189.333 | 132.9 Ų | 132.9 | 89% | 0.885 | 71% | 0.709 | S | S | * | * | trans | -99.8 | 84.4 | 158.9 | -67.1 | -167.2 | 172.3 | 0 | 0 | 109.8 | A2545 E2549 | A2545-E2547 PolarHBondContact O-N 3.36Å; E2547-E2549 PolarHBondContact O-N 3.3Å | ||
| 2548 | E | 38.3 | Very low | 42.7 | Very low | 175.667 Ų | 175.667 | 134 Ų | 134 | 82% | 0.821 | 70% | 0.701 | S | S | * | * | trans | -76.5 | 128.7 | 171.7 | -71.7 | -160.2 | 160.1 | 0 | 0 | 109.4 | E2546 D2550 | E2546-E2548 HydrophobicContact CB-CG 4.23Å; E2546-E2548 PolarHBondContact O-N 3.27Å; E2548-D2550 PolarHBondContact O-N 3.24Å; E2548-D2550 VanDerWaalsContact O-N 3.1Å | ||
| 2549 | E | 35.4 | Very low | 43.7 | Very low | 182.667 Ų | 182.667 | 130.5 Ų | 130.5 | 85% | 0.854 | 68% | 0.681 | S | S | * | * | trans | -81 | 89.9 | 177.6 | -66.6 | 170.7 | 173 | 0 | 0 | 112.2 | E2547 E2551 | E2547-E2549 PolarHBondContact O-N 3.3Å; E2549-E2551 PolarHBondContact O-N 3.49Å | ||
| 2550 | D | 38.8 | Very low | 45 | Very low | 107.333 Ų | 107.333 | 127.7 Ų | 127.7 | 57% | 0.574 | 66% | 0.658 | S | S | * | * | trans | -123 | 71.2 | 161.3 | -81.3 | -13.8 | 0 | 0 | 0 | 110.7 | E2548 E2552 K2553 | E2548-D2550 PolarHBondContact O-N 3.24Å; E2548-D2550 VanDerWaalsContact O-N 3.1Å; D2550-E2552 PolarHBondContact O-N 3.3Å; D2550-E2552 VanDerWaalsContact O-N 3.12Å; D2550-K2553 HydrophobicContact CB-CD 4.3Å; D2550-K2553 PolarHBondContact O-N 2.95Å; D2550-K2553 VanDerWaalsContact O-N 3.11Å; D2550-K2553 WeakPolarHBondContact OD2-CE 3.43Å; D2550-K2553 IonicContact OD2-NZ 3.13Å; D2550-K2553 PolarHBondContact OD2-NZ 3.04Å | ||
| 2551 | E | 40.2 | Very low | 46.2 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -58.3 | -21 | 177.5 | -70.9 | -169.3 | 154.2 | 0 | 0 | 113.5 | E2549 K2553 S2554 | E2549-E2551 PolarHBondContact O-N 3.49Å; E2551-K2553 PolarHBondContact O-N 2.94Å; E2551-S2554 WeakPolarHBondContact O-CB 3.23Å; E2551-S2554 PolarHBondContact O-N 3.24Å; E2551-S2554 PolarHBondContact O-OG 3.21Å |
| 2552 | E | 42.4 | Very low | 47.7 | Very low | 193.333 Ų | 193.333 | 122.1 Ų | 122.1 | 90% | 0.903 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -80 | -13.8 | -176.9 | -65.6 | -169.2 | 167.7 | 0 | 0 | 114.6 | D2550 S2554 | D2550-E2552 PolarHBondContact O-N 3.3Å; D2550-E2552 VanDerWaalsContact O-N 3.12Å; E2552-S2554 VanDerWaalsContact C-N 3.29Å |
| 2553 | K | 41.1 | Very low | 49 | Very low | 147.667 Ų | 147.667 | 117.4 Ų | 117.4 | 64% | 0.642 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -90.5 | 2.7 | 174 | -72.5 | 177.3 | -173.8 | 149.6 | 0 | 113.5 | D2550 E2551 E2555 A2557 | D2550-K2553 HydrophobicContact CB-CD 4.3Å; D2550-K2553 PolarHBondContact O-N 2.95Å; D2550-K2553 VanDerWaalsContact O-N 3.11Å; D2550-K2553 WeakPolarHBondContact OD2-CE 3.43Å; D2550-K2553 IonicContact OD2-NZ 3.13Å; D2550-K2553 PolarHBondContact OD2-NZ 3.04Å; E2551-K2553 PolarHBondContact O-N 2.94Å; K2553-E2555 VanDerWaalsContact C-N 3.29Å; K2553-E2555 PolarHBondContact O-N 3.16Å; K2553-A2557 WeakPolarHBondContact O-CB 3.42Å; K2553-A2557 PolarHBondContact O-N 2.92Å; K2553-A2557 VanDerWaalsContact O-N 3.12Å |
| 2554 | S | 46.9 | Very low | 50.6 | Low | 67.6667 Ų | 67.6667 | 114.6 Ų | 114.6 | 47% | 0.473 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.9 | -18.2 | -168 | 68.9 | 0 | 0 | 0 | 0 | 115.6 | E2551 E2552 K2558 | E2551-S2554 WeakPolarHBondContact O-CB 3.23Å; E2551-S2554 PolarHBondContact O-N 3.24Å; E2551-S2554 PolarHBondContact O-OG 3.21Å; E2552-S2554 VanDerWaalsContact C-N 3.29Å; S2554-K2558 WeakPolarHBondContact O-CD 3.33Å; S2554-K2558 WeakPolarHBondContact O-CG 3.24Å |
| 2555 | E | 48.2 | Very low | 52.7 | Low | 174 Ų | 174 | 109.7 Ų | 109.7 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79.5 | -31.3 | 180 | -68.1 | -158.9 | 158.4 | 0 | 0 | 113.4 | K2553 A2557 | K2553-E2555 VanDerWaalsContact C-N 3.29Å; K2553-E2555 PolarHBondContact O-N 3.16Å; E2555-A2557 PolarHBondContact O-N 3.39Å |
| 2556 | H | 47.9 | Very low | 54.8 | Low | 121 Ų | 121 | 106.6 Ų | 106.6 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -82.7 | -0.5 | 176.9 | -67.8 | -57 | 0 | 0 | 0 | 111.5 | K2558 Q2559 | H2556-K2558 VanDerWaalsContact C-N 3.29Å; H2556-K2558 PolarHBondContact O-N 3.23Å; H2556-Q2559 PolarHBondContact O-N 3.37Å |
| 2557 | A | 50.7 | Low | 57 | Low | 45.6667 Ų | 45.6667 | 98.2 Ų | 98.2 | 38% | 0.377 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | 1.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K2553 E2555 Q2559 H2560 | K2553-A2557 WeakPolarHBondContact O-CB 3.42Å; K2553-A2557 PolarHBondContact O-N 2.92Å; K2553-A2557 VanDerWaalsContact O-N 3.12Å; E2555-A2557 PolarHBondContact O-N 3.39Å; A2557-Q2559 PolarHBondContact O-N 2.93Å; A2557-H2560 PolarHBondContact O-CE1 3.2Å; A2557-H2560 VanDerWaalsContact O-CE1 3.26Å; A2557-H2560 PolarHBondContact O-ND1 3.21Å |
| 2558 | K | 60.7 | Low | 59.2 | Low | 125.333 Ų | 125.333 | 89.5 Ų | 89.5 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -77.3 | 28.2 | -174.2 | -69.9 | 177.4 | -178 | 179.5 | 0 | 112.9 | S2554 H2556 H2560 S2561 D2562 D2666 | S2554-K2558 WeakPolarHBondContact O-CD 3.33Å; S2554-K2558 WeakPolarHBondContact O-CG 3.24Å; H2556-K2558 VanDerWaalsContact C-N 3.29Å; H2556-K2558 PolarHBondContact O-N 3.23Å; K2558-H2560 PolarHBondContact O-N 3.27Å; K2558-H2560 VanDerWaalsContact O-N 3.17Å; K2558-S2561 PolarHBondContact O-N 3.13Å; K2558-S2561 PolarHBondContact O-OG 3.31Å; K2558-D2562 PolarHBondContact O-N 3.26Å; K2558-D2562 VanDerWaalsContact O-N 3.14Å; K2558-D2666 VanDerWaalsContact CD-OD2 3.25Å; K2558-D2666 WeakPolarHBondContact CD-OD2 3.24Å; K2558-D2666 WeakPolarHBondContact CE-OD2 3.49Å; K2558-D2666 IonicContact NZ-OD1 3.73Å; K2558-D2666 PolarHBondContact NZ-OD1 3.27Å; K2558-D2666 IonicContact NZ-OD2 3.9Å; K2558-D2666 PolarHBondContact NZ-OD2 3.44Å |
| 2559 | Q | 66.8 | Low | 61.5 | Low | 32.6667 Ų | 32.6667 | 81.6 Ų | 81.6 | 15% | 0.153 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -59.8 | -27.2 | -173.9 | -66.2 | -174.2 | 13.1 | 0 | 0 | 113.6 | H2556 A2557 S2561 S2565 A2567 P2661 F2662 | H2556-Q2559 PolarHBondContact O-N 3.37Å; A2557-Q2559 PolarHBondContact O-N 2.93Å; Q2559-S2561 VanDerWaalsContact C-N 3.3Å; Q2559-S2561 PolarHBondContact O-N 3.13Å; Q2559-S2565 WeakPolarHBondContact O-CB 3.45Å; Q2559-S2565 PolarHBondContact O-OG 3.17Å; Q2559-S2565 VanDerWaalsContact O-OG 3.08Å; Q2559-A2567 HydrophobicContact CB-CB 4.5Å; Q2559-P2661 PolarHBondContact OE1-O 3.05Å; Q2559-F2662 HydrophobicContact CB-CE1 4.35Å |
| 2560 | H | 67.3 | Low | 63.9 | Low | 28.3333 Ų | 28.3333 | 72.9 Ų | 72.9 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -70.8 | -28.1 | 177.4 | 69.7 | -88.1 | 0 | 0 | 0 | 113.1 | A2557 K2558 W2568 F2662 D2666 S2668 T2669 | A2557-H2560 PolarHBondContact O-CE1 3.2Å; A2557-H2560 VanDerWaalsContact O-CE1 3.26Å; A2557-H2560 PolarHBondContact O-ND1 3.21Å; K2558-H2560 PolarHBondContact O-N 3.27Å; K2558-H2560 VanDerWaalsContact O-N 3.17Å; H2560-W2568 PolarHBondContact O-NE1 2.86Å; H2560-W2568 VanDerWaalsContact O-NE1 3.09Å; H2560-F2662 HydrophobicContact CB-CD1 3.78Å; H2560-F2662 HydrophobicContact CB-CE1 4.05Å; H2560-D2666 IonicContact CE1-OD2 3.82Å; H2560-D2666 PolarHBondContact CE1-OD2 2.84Å; H2560-S2668 PolarHBondContact NE2-OG 2.76Å; H2560-T2669 HydrophobicContact CB-CG2 4.32Å; H2560-T2669 VanDerWaalsContact ND1-CG2 3.34Å; H2560-T2669 WeakPolarHBondContact ND1-CG2 3.4Å |
| 2561 | S | 67.7 | Low | 66.3 | Low | 82.6667 Ų | 82.6667 | 67.8 Ų | 67.8 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -28.3 | -178.7 | -15.8 | 0 | 0 | 0 | 0 | 113.2 | K2558 Q2559 S2563 | K2558-S2561 PolarHBondContact O-N 3.13Å; K2558-S2561 PolarHBondContact O-OG 3.31Å; Q2559-S2561 VanDerWaalsContact C-N 3.3Å; Q2559-S2561 PolarHBondContact O-N 3.13Å; S2561-S2563 PolarHBondContact O-N 3.04Å |
| 2562 | D | 72.3 | Confident | 68.7 | Low | 75.6667 Ų | 75.6667 | 60 Ų | 60 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | trans | -83.1 | 110.7 | 178 | -175.8 | 6 | 0 | 0 | 0 | 111.1 | K2558 N2564 S2565 W2568 | K2558-D2562 PolarHBondContact O-N 3.26Å; K2558-D2562 VanDerWaalsContact O-N 3.14Å; D2562-N2564 PolarHBondContact O-N 3.39Å; D2562-N2564 PolarHBondContact OD1-N 3.19Å; D2562-S2565 VanDerWaalsContact O-CB 3.23Å; D2562-S2565 WeakPolarHBondContact O-CB 3.42Å; D2562-S2565 PolarHBondContact O-N 3.15Å; D2562-S2565 VanDerWaalsContact O-N 3.07Å; D2562-S2565 PolarHBondContact O-OG 3.36Å; D2562-S2565 VanDerWaalsContact O-OG 3.12Å; D2562-W2568 VanDerWaalsContact O-CD1 3.26Å | ||
| 2563 | S | 70.2 | Confident | 70.9 | Confident | 36.3333 Ų | 36.3333 | 50.9 Ų | 50.9 | 25% | 0.254 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.5 | 179.4 | 32.7 | 0 | 0 | 0 | 0 | 113.6 | S2561 R2572 | S2561-S2563 PolarHBondContact O-N 3.04Å; S2563-R2572 PolarHBondContact O-NH2 3.22Å |
| 2564 | N | 75.8 | Confident | 73.3 | Confident | 86.6667 Ų | 86.6667 | 43.8 Ų | 43.8 | 46% | 0.463 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.1 | 177.4 | -68.5 | -35.8 | 0 | 0 | 0 | 112.7 | D2562 Y2625 | D2562-N2564 PolarHBondContact O-N 3.39Å; D2562-N2564 PolarHBondContact OD1-N 3.19Å; N2564-Y2625 WeakPolarHBondContact O-CE2 3.37Å; N2564-Y2625 PolarHBondContact O-OH 3.03Å; N2564-Y2625 VanDerWaalsContact O-OH 3.04Å |
| 2565 | S | 81.3 | Confident | 75.5 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -63.1 | 150.4 | 174.8 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | Q2559 D2562 A2567 W2568 L2569 | Q2559-S2565 WeakPolarHBondContact O-CB 3.45Å; Q2559-S2565 PolarHBondContact O-OG 3.17Å; Q2559-S2565 VanDerWaalsContact O-OG 3.08Å; D2562-S2565 VanDerWaalsContact O-CB 3.23Å; D2562-S2565 WeakPolarHBondContact O-CB 3.42Å; D2562-S2565 PolarHBondContact O-N 3.15Å; D2562-S2565 VanDerWaalsContact O-N 3.07Å; D2562-S2565 PolarHBondContact O-OG 3.36Å; D2562-S2565 VanDerWaalsContact O-OG 3.12Å; S2565-A2567 PolarHBondContact O-N 3.24Å; S2565-W2568 PolarHBondContact O-N 3.27Å; S2565-W2568 VanDerWaalsContact O-N 3.11Å; S2565-W2568 PolarHBondContact OG-N 2.99Å; S2565-L2569 PolarHBondContact O-N 3.1Å |
| 2566 | Y | 82.5 | Confident | 77.7 | Confident | 15.6667 Ų | 15.6667 | 32.3 Ų | 32.3 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.5 | -38.7 | 176 | -168.7 | -105.5 | 0 | 0 | 0 | 112.2 | W2568 L2569 I2570 L2622 Y2625 C2629 P2630 F2633 C2692 | Y2566-W2568 PolarHBondContact O-N 3.01Å; Y2566-L2569 PolarHBondContact O-N 3.09Å; Y2566-I2570 HydrophobicContact CD1-CD1 3.85Å; Y2566-I2570 HydrophobicContact CE1-CD1 3.56Å; Y2566-I2570 HydrophobicContact CE1-CG1 4.3Å; Y2566-I2570 WeakPolarHBondContact O-CG1 3.31Å; Y2566-I2570 PolarHBondContact O-N 3.08Å; Y2566-I2570 VanDerWaalsContact O-N 3.11Å; Y2566-L2622 HydrophobicContact CD2-CD1 3.75Å; Y2566-L2622 HydrophobicContact CE2-CD1 3.33Å; Y2566-L2622 HydrophobicContact CE2-CG 3.83Å; Y2566-Y2625 AromaticContact CD2-CD1 3.71Å; Y2566-Y2625 HydrophobicContact CD2-CD1 3.71Å; Y2566-Y2625 HydrophobicContact CD2-CD2 4.37Å; Y2566-Y2625 HydrophobicContact CD2-CE1 4.14Å; Y2566-Y2625 AromaticContact CD2-CG 3.83Å; Y2566-Y2625 HydrophobicContact CD2-CG 3.83Å; Y2566-Y2625 HydrophobicContact CE2-CD1 4.41Å; Y2566-Y2625 HydrophobicContact CE2-CG 4.38Å; Y2566-Y2625 HydrophobicContact CG-CD1 4.48Å; Y2566-C2629 HydrophobicContact CE1-CB 3.92Å; Y2566-P2630 VanDerWaalsContact CD1-CD 3.5Å; Y2566-P2630 HydrophobicContact CD1-CG 4.39Å; Y2566-P2630 HydrophobicContact CG-CG 4.42Å; Y2566-F2633 HydrophobicContact CD1-CD2 4.12Å; Y2566-F2633 AromaticContact CD1-CE2 3.84Å; Y2566-F2633 HydrophobicContact CD1-CE2 3.84Å; Y2566-F2633 HydrophobicContact CD1-CZ 4.2Å; Y2566-C2692 PolarHBondContact OH-O 3.11Å; Y2566-C2692 VanDerWaalsContact OH-O 3.04Å |
| 2567 | A | 83.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q2559 S2565 I2570 L2571 F2633 P2661 F2662 W2676 | Q2559-A2567 HydrophobicContact CB-CB 4.5Å; S2565-A2567 PolarHBondContact O-N 3.24Å; A2567-I2570 PolarHBondContact O-N 3.23Å; A2567-L2571 WeakPolarHBondContact O-CG 3.39Å; A2567-L2571 PolarHBondContact O-N 3.06Å; A2567-F2633 HydrophobicContact CB-CE2 3.91Å; A2567-F2633 HydrophobicContact CB-CZ 3.84Å; A2567-P2661 HydrophobicContact CB-CB 4.19Å; A2567-P2661 HydrophobicContact CB-CG 4.02Å; A2567-F2662 HydrophobicContact CB-CE1 4.05Å; A2567-F2662 HydrophobicContact CB-CZ 3.85Å; A2567-W2676 HydrophobicContact CB-CZ3 4.49Å |
| 2568 | W | 85.9 | Confident | 81.8 | Confident | 6.33333 Ų | 6.33333 | 27.1 Ų | 27.1 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.7 | -33.1 | 176.5 | -98 | 116.3 | 0 | 0 | 0 | 112.8 | Y2402 L2407 H2560 D2562 S2565 Y2566 I2570 L2571 R2572 L2575 V2672 | Y2402-W2568 HydrophobicContact CD1-CD2 4.21Å; Y2402-W2568 AromaticContact CD1-CE3 3.89Å; Y2402-W2568 HydrophobicContact CD1-CE3 3.89Å; Y2402-W2568 HydrophobicContact CD1-CH2 4.43Å; Y2402-W2568 AromaticContact CD1-CZ3 3.96Å; Y2402-W2568 HydrophobicContact CD1-CZ3 4.01Å; Y2402-W2568 HydrophobicContact CE1-CE3 4.48Å; L2407-W2568 HydrophobicContact CD1-CH2 4.12Å; L2407-W2568 HydrophobicContact CD1-CZ3 4.26Å; H2560-W2568 PolarHBondContact O-NE1 2.86Å; H2560-W2568 VanDerWaalsContact O-NE1 3.09Å; D2562-W2568 VanDerWaalsContact O-CD1 3.26Å; S2565-W2568 PolarHBondContact O-N 3.27Å; S2565-W2568 VanDerWaalsContact O-N 3.11Å; S2565-W2568 PolarHBondContact OG-N 2.99Å; Y2566-W2568 PolarHBondContact O-N 3.01Å; W2568-I2570 VanDerWaalsContact C-N 3.35Å; W2568-I2570 PolarHBondContact O-N 3.21Å; W2568-L2571 HydrophobicContact CD2-CB 4.41Å; W2568-L2571 HydrophobicContact CD2-CD1 4.21Å; W2568-L2571 HydrophobicContact CE3-CB 3.96Å; W2568-L2571 HydrophobicContact CE3-CD1 4.02Å; W2568-L2571 HydrophobicContact CE3-CG 4.41Å; W2568-L2571 HydrophobicContact CZ3-CB 3.75Å; W2568-L2571 HydrophobicContact CZ3-CD1 4.29Å; W2568-L2571 PolarHBondContact O-N 2.94Å; W2568-R2572 HydrophobicContact CE3-CG 4.13Å; W2568-R2572 WeakPolarHBondContact O-CB 3.22Å; W2568-R2572 VanDerWaalsContact O-CG 3.29Å; W2568-R2572 WeakPolarHBondContact O-CG 3.37Å; W2568-R2572 PolarHBondContact O-N 3.26Å; W2568-L2575 HydrophobicContact CZ3-CD1 3.94Å; W2568-V2672 HydrophobicContact CZ2-CG1 4.19Å; W2568-V2672 HydrophobicContact CZ2-CG2 4.15Å |
| 2569 | L | 85.4 | Confident | 83.3 | Confident | 10.3333 Ų | 10.3333 | 21.1 Ų | 21.1 | 5% | 0.054 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.3 | -73.3 | 170.7 | 0 | 0 | 0 | 111.8 | S2565 Y2566 R2572 L2573 L2622 Y2625 | S2565-L2569 PolarHBondContact O-N 3.1Å; Y2566-L2569 PolarHBondContact O-N 3.09Å; L2569-R2572 VanDerWaalsContact CD2-CZ 3.46Å; L2569-R2572 VanDerWaalsContact CD2-NH2 3.34Å; L2569-R2572 PolarHBondContact O-N 3.05Å; L2569-L2573 WeakPolarHBondContact O-CB 3.49Å; L2569-L2573 PolarHBondContact O-N 3.16Å; L2569-L2622 HydrophobicContact CB-CD1 3.81Å; L2569-Y2625 HydrophobicContact CD1-CD2 3.45Å; L2569-Y2625 VanDerWaalsContact CD1-CD2 3.45Å; L2569-Y2625 HydrophobicContact CD1-CE2 3.62Å; L2569-Y2625 HydrophobicContact CD1-CG 4.5Å |
| 2570 | I | 86.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 173.3 | -64.6 | 172.2 | 0 | 0 | 0 | 110.4 | Y2566 A2567 W2568 R2572 L2573 A2574 L2622 F2633 W2676 F2689 C2692 | Y2566-I2570 HydrophobicContact CD1-CD1 3.85Å; Y2566-I2570 HydrophobicContact CE1-CD1 3.56Å; Y2566-I2570 HydrophobicContact CE1-CG1 4.3Å; Y2566-I2570 WeakPolarHBondContact O-CG1 3.31Å; Y2566-I2570 PolarHBondContact O-N 3.08Å; Y2566-I2570 VanDerWaalsContact O-N 3.11Å; A2567-I2570 PolarHBondContact O-N 3.23Å; W2568-I2570 VanDerWaalsContact C-N 3.35Å; W2568-I2570 PolarHBondContact O-N 3.21Å; I2570-R2572 PolarHBondContact O-N 3.13Å; I2570-L2573 PolarHBondContact O-N 3.26Å; I2570-A2574 WeakPolarHBondContact O-CB 3.36Å; I2570-A2574 PolarHBondContact O-N 3.13Å; I2570-L2622 HydrophobicContact CG1-CD1 4.01Å; I2570-L2622 HydrophobicContact CG1-CD2 4.42Å; I2570-F2633 HydrophobicContact CD1-CE1 4.14Å; I2570-F2633 HydrophobicContact CD1-CZ 4.07Å; I2570-W2676 HydrophobicContact CB-CZ3 4.39Å; I2570-W2676 HydrophobicContact CD1-CH2 4.33Å; I2570-W2676 HydrophobicContact CG2-CH2 4.13Å; I2570-W2676 HydrophobicContact CG2-CZ3 4.16Å; I2570-F2689 HydrophobicContact CG2-CD1 3.75Å; I2570-F2689 HydrophobicContact CG2-CE1 3.61Å; I2570-F2689 HydrophobicContact CG2-CZ 4.4Å; I2570-C2692 HydrophobicContact CD1-CB 3.74Å; I2570-C2692 HydrophobicContact CG1-CB 3.87Å |
| 2571 | L | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 177.4 | -75.5 | 176.5 | 0 | 0 | 0 | 111.6 | A2567 W2568 L2573 A2574 L2575 F2662 V2672 L2675 W2676 L2679 | A2567-L2571 WeakPolarHBondContact O-CG 3.39Å; A2567-L2571 PolarHBondContact O-N 3.06Å; W2568-L2571 HydrophobicContact CD2-CB 4.41Å; W2568-L2571 HydrophobicContact CD2-CD1 4.21Å; W2568-L2571 HydrophobicContact CE3-CB 3.96Å; W2568-L2571 HydrophobicContact CE3-CD1 4.02Å; W2568-L2571 HydrophobicContact CE3-CG 4.41Å; W2568-L2571 HydrophobicContact CZ3-CB 3.75Å; W2568-L2571 HydrophobicContact CZ3-CD1 4.29Å; W2568-L2571 PolarHBondContact O-N 2.94Å; L2571-L2573 PolarHBondContact O-N 3.26Å; L2571-A2574 PolarHBondContact O-N 3.12Å; L2571-L2575 VanDerWaalsContact O-CB 3.24Å; L2571-L2575 WeakPolarHBondContact O-CB 3.24Å; L2571-L2575 WeakPolarHBondContact O-CD1 3.31Å; L2571-L2575 WeakPolarHBondContact O-CG 3.34Å; L2571-L2575 PolarHBondContact O-N 2.98Å; L2571-F2662 HydrophobicContact CD1-CE2 4.29Å; L2571-F2662 HydrophobicContact CD1-CZ 4.05Å; L2571-V2672 HydrophobicContact CD1-CG1 3.84Å; L2571-L2675 HydrophobicContact CD1-CD2 4.01Å; L2571-L2675 HydrophobicContact CD2-CD2 3.53Å; L2571-L2675 HydrophobicContact CG-CD2 4.25Å; L2571-W2676 HydrophobicContact CD1-CE3 4.29Å; L2571-W2676 HydrophobicContact CD2-CB 4.35Å; L2571-W2676 HydrophobicContact CD2-CD2 4.39Å; L2571-W2676 HydrophobicContact CD2-CE3 3.57Å; L2571-W2676 VanDerWaalsContact CD2-CE3 3.47Å; L2571-W2676 HydrophobicContact CD2-CZ3 4.24Å; L2571-W2676 HydrophobicContact CG-CE3 3.79Å; L2571-W2676 HydrophobicContact CG-CZ3 4.16Å; L2571-L2679 HydrophobicContact CD2-CD1 3.69Å |
| 2572 | R | 89.9 | Confident | 86.8 | Confident | 5.33333 Ų | 5.33333 | 20.8 Ų | 20.8 | 2% | 0.02 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 176.8 | -74.8 | -173.4 | -115.4 | 154.6 | -6.9 | 111.5 | L2399 Y2402 S2563 W2568 L2569 I2570 A2574 L2575 V2576 L2618 E2621 | L2399-R2572 HydrophobicContact CD1-CB 4.48Å; L2399-R2572 HydrophobicContact CD1-CG 3.92Å; Y2402-R2572 PolarHBondContact OH-NH2 3.18Å; S2563-R2572 PolarHBondContact O-NH2 3.22Å; W2568-R2572 HydrophobicContact CE3-CG 4.13Å; W2568-R2572 WeakPolarHBondContact O-CB 3.22Å; W2568-R2572 VanDerWaalsContact O-CG 3.29Å; W2568-R2572 WeakPolarHBondContact O-CG 3.37Å; W2568-R2572 PolarHBondContact O-N 3.26Å; L2569-R2572 VanDerWaalsContact CD2-CZ 3.46Å; L2569-R2572 VanDerWaalsContact CD2-NH2 3.34Å; L2569-R2572 PolarHBondContact O-N 3.05Å; I2570-R2572 PolarHBondContact O-N 3.13Å; R2572-A2574 PolarHBondContact O-N 3.31Å; R2572-L2575 PolarHBondContact O-N 3.08Å; R2572-V2576 VanDerWaalsContact O-CG2 3.29Å; R2572-V2576 WeakPolarHBondContact O-CG2 3.41Å; R2572-V2576 PolarHBondContact O-N 3.02Å; R2572-L2618 HydrophobicContact CB-CD1 4.13Å; R2572-L2618 HydrophobicContact CB-CD2 4.29Å; R2572-E2621 IonicContact NH1-OE2 3.05Å |
| 2573 | L | 89.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 177.9 | 178.3 | 63.4 | 0 | 0 | 0 | 111.7 | L2569 I2570 L2571 V2576 R2577 V2615 L2618 N2619 L2622 V2688 | L2569-L2573 WeakPolarHBondContact O-CB 3.49Å; L2569-L2573 PolarHBondContact O-N 3.16Å; I2570-L2573 PolarHBondContact O-N 3.26Å; L2571-L2573 PolarHBondContact O-N 3.26Å; L2573-V2576 PolarHBondContact O-N 3.09Å; L2573-R2577 WeakPolarHBondContact O-CB 3.44Å; L2573-R2577 PolarHBondContact O-N 3.36Å; L2573-R2577 VanDerWaalsContact O-N 3.12Å; L2573-V2615 HydrophobicContact CD1-CB 4.43Å; L2573-V2615 HydrophobicContact CD1-CG1 3.98Å; L2573-L2618 HydrophobicContact CB-CB 4.38Å; L2573-L2618 HydrophobicContact CD1-CB 3.99Å; L2573-N2619 WeakPolarHBondContact CD2-OD1 3.4Å; L2573-L2622 HydrophobicContact CD2-CD2 4.45Å; L2573-V2688 HydrophobicContact CD2-CG1 3.53Å; L2573-V2688 HydrophobicContact CG-CG1 3.93Å |
| 2574 | A | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2570 L2571 R2572 R2577 Q2578 L2679 L2685 F2689 | I2570-A2574 WeakPolarHBondContact O-CB 3.36Å; I2570-A2574 PolarHBondContact O-N 3.13Å; L2571-A2574 PolarHBondContact O-N 3.12Å; R2572-A2574 PolarHBondContact O-N 3.31Å; A2574-R2577 PolarHBondContact O-N 3.34Å; A2574-Q2578 VanDerWaalsContact O-CB 3.26Å; A2574-Q2578 WeakPolarHBondContact O-CB 3.34Å; A2574-Q2578 PolarHBondContact O-N 3.32Å; A2574-L2679 HydrophobicContact CB-CD1 4.17Å; A2574-L2685 HydrophobicContact CB-CD1 4.31Å; A2574-F2689 HydrophobicContact CB-CE2 4.14Å; A2574-F2689 HydrophobicContact CB-CZ 3.9Å |
| 2575 | L | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.2 | -76.5 | 168.9 | 0 | 0 | 0 | 112.3 | F2395 L2399 L2407 V2411 W2568 L2571 R2572 R2577 Q2578 V2579 L2675 L2679 | F2395-L2575 HydrophobicContact CE2-CB 4.01Å; F2395-L2575 HydrophobicContact CZ-CB 4.09Å; L2399-L2575 HydrophobicContact CD1-CD1 4.32Å; L2407-L2575 HydrophobicContact CB-CD2 4.38Å; L2407-L2575 HydrophobicContact CD1-CD1 3.89Å; L2407-L2575 HydrophobicContact CD2-CD1 4.21Å; L2407-L2575 HydrophobicContact CG-CD1 4.45Å; V2411-L2575 HydrophobicContact CG2-CD2 3.79Å; W2568-L2575 HydrophobicContact CZ3-CD1 3.94Å; L2571-L2575 VanDerWaalsContact O-CB 3.24Å; L2571-L2575 WeakPolarHBondContact O-CB 3.24Å; L2571-L2575 WeakPolarHBondContact O-CD1 3.31Å; L2571-L2575 WeakPolarHBondContact O-CG 3.34Å; L2571-L2575 PolarHBondContact O-N 2.98Å; R2572-L2575 PolarHBondContact O-N 3.08Å; L2575-R2577 VanDerWaalsContact C-N 3.35Å; L2575-R2577 PolarHBondContact O-N 3.11Å; L2575-Q2578 WeakPolarHBondContact O-CB 3.33Å; L2575-Q2578 PolarHBondContact O-N 2.95Å; L2575-V2579 WeakPolarHBondContact O-CB 3.16Å; L2575-V2579 WeakPolarHBondContact O-CG2 3.18Å; L2575-V2579 PolarHBondContact O-N 2.88Å; L2575-L2675 HydrophobicContact CD1-CD2 4.45Å; L2575-L2675 HydrophobicContact CD2-CD1 4.22Å; L2575-L2679 HydrophobicContact CD2-CD1 4.02Å; L2575-L2679 HydrophobicContact CD2-CD2 4.34Å; L2575-L2679 HydrophobicContact CG-CD1 4.07Å |
| 2576 | V | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | F2395 L2399 R2572 L2573 Q2578 V2579 Q2580 L2611 W2614 V2615 L2618 | F2395-V2576 HydrophobicContact CE1-CG2 4.21Å; F2395-V2576 HydrophobicContact CZ-CG2 4.08Å; L2399-V2576 HydrophobicContact CD2-CG2 4.43Å; R2572-V2576 VanDerWaalsContact O-CG2 3.29Å; R2572-V2576 WeakPolarHBondContact O-CG2 3.41Å; R2572-V2576 PolarHBondContact O-N 3.02Å; L2573-V2576 PolarHBondContact O-N 3.09Å; V2576-Q2578 VanDerWaalsContact C-N 3.34Å; V2576-Q2578 PolarHBondContact O-N 2.99Å; V2576-V2579 PolarHBondContact O-N 3.33Å; V2576-Q2580 PolarHBondContact O-N 3.03Å; V2576-L2611 HydrophobicContact CG1-CB 4.33Å; V2576-L2611 HydrophobicContact CG1-CD2 4Å; V2576-W2614 HydrophobicContact CG1-CB 4.13Å; V2576-W2614 HydrophobicContact CG2-CE3 4.22Å; V2576-V2615 HydrophobicContact CB-CG2 4.3Å; V2576-V2615 HydrophobicContact CG1-CG2 3.61Å; V2576-L2618 HydrophobicContact CG2-CD1 3.95Å |
| 2577 | R | 92.2 | Very high | 90.3 | Very high | 56.6667 Ų | 56.6667 | 16.1 Ų | 16.1 | 21% | 0.214 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 175.8 | -102.9 | -172.9 | -178.5 | 158.5 | -4.3 | 112.3 | L2573 A2574 L2575 Q2580 Y2581 V2615 L2685 D2687 | L2573-R2577 WeakPolarHBondContact O-CB 3.44Å; L2573-R2577 PolarHBondContact O-N 3.36Å; L2573-R2577 VanDerWaalsContact O-N 3.12Å; A2574-R2577 PolarHBondContact O-N 3.34Å; L2575-R2577 VanDerWaalsContact C-N 3.35Å; L2575-R2577 PolarHBondContact O-N 3.11Å; R2577-Q2580 WeakPolarHBondContact O-CB 3.44Å; R2577-Q2580 PolarHBondContact O-N 3.18Å; R2577-Y2581 PolarHBondContact O-N 3.34Å; R2577-V2615 HydrophobicContact CG-CG1 4.29Å; R2577-V2615 HydrophobicContact CG-CG2 3.89Å; R2577-L2685 HydrophobicContact CB-CD2 3.7Å; R2577-L2685 HydrophobicContact CG-CD2 3.87Å; R2577-D2687 IonicContact CZ-OD2 3.69Å; R2577-D2687 IonicContact NE-OD2 3.05Å; R2577-D2687 IonicContact NH1-OD1 2.75Å; R2577-D2687 IonicContact NH1-OD2 3.12Å; R2577-D2687 PolarHBondContact NH1-OD2 2.88Å; R2577-D2687 IonicContact NH2-OD2 2.69Å; R2577-D2687 PolarHBondContact NH2-OD2 3.05Å |
| 2578 | Q | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 176.3 | -177.2 | 59.2 | 46.2 | 0 | 0 | 112 | V2411 A2574 L2575 V2576 Q2580 Y2581 R2582 L2679 H2684 L2685 | V2411-Q2578 HydrophobicContact CB-CG 4.26Å; V2411-Q2578 HydrophobicContact CG1-CB 4.45Å; V2411-Q2578 HydrophobicContact CG1-CG 3.39Å; V2411-Q2578 VanDerWaalsContact CG1-CG 3.45Å; V2411-Q2578 HydrophobicContact CG2-CG 4.07Å; A2574-Q2578 VanDerWaalsContact O-CB 3.26Å; A2574-Q2578 WeakPolarHBondContact O-CB 3.34Å; A2574-Q2578 PolarHBondContact O-N 3.32Å; L2575-Q2578 WeakPolarHBondContact O-CB 3.33Å; L2575-Q2578 PolarHBondContact O-N 2.95Å; V2576-Q2578 VanDerWaalsContact C-N 3.34Å; V2576-Q2578 PolarHBondContact O-N 2.99Å; Q2578-Q2580 VanDerWaalsContact C-N 3.33Å; Q2578-Q2580 PolarHBondContact O-N 3.22Å; Q2578-Y2581 WeakPolarHBondContact O-CB 3.37Å; Q2578-Y2581 PolarHBondContact O-N 2.95Å; Q2578-R2582 VanDerWaalsContact NE2-NE 3.14Å; Q2578-R2582 WeakPolarHBondContact O-CG 3.36Å; Q2578-R2582 PolarHBondContact O-N 3.34Å; Q2578-L2679 HydrophobicContact CB-CD2 4.28Å; Q2578-L2679 HydrophobicContact CG-CD2 4.22Å; Q2578-H2684 PolarHBondContact OE1-CE1 3.23Å; Q2578-H2684 PolarHBondContact OE1-NE2 3.28Å; Q2578-L2685 HydrophobicContact CB-CD1 4.05Å; Q2578-L2685 HydrophobicContact CB-CD2 4.45Å; Q2578-L2685 HydrophobicContact CG-CD1 4.45Å |
| 2579 | V | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 175.5 | 163.8 | 0 | 0 | 0 | 0 | 111 | F2391 L2392 F2395 V2411 L2575 V2576 Y2581 R2582 I2583 L2611 | F2391-V2579 HydrophobicContact CE1-CB 4.47Å; F2391-V2579 HydrophobicContact CE1-CG1 3.9Å; F2391-V2579 HydrophobicContact CE1-CG2 4.31Å; F2391-V2579 HydrophobicContact CZ-CG2 4.32Å; L2392-V2579 HydrophobicContact CD2-CG1 3.86Å; F2395-V2579 HydrophobicContact CB-CG2 4.49Å; F2395-V2579 HydrophobicContact CD1-CB 4.39Å; F2395-V2579 HydrophobicContact CD1-CG1 4.06Å; F2395-V2579 HydrophobicContact CD1-CG2 3.96Å; F2395-V2579 HydrophobicContact CD2-CG2 3.53Å; F2395-V2579 HydrophobicContact CE1-CB 4.26Å; F2395-V2579 HydrophobicContact CE1-CG1 4.29Å; F2395-V2579 HydrophobicContact CE1-CG2 3.96Å; F2395-V2579 HydrophobicContact CE2-CG2 3.54Å; F2395-V2579 HydrophobicContact CG-CG1 4.41Å; F2395-V2579 HydrophobicContact CG-CG2 3.74Å; F2395-V2579 HydrophobicContact CZ-CB 4.36Å; F2395-V2579 HydrophobicContact CZ-CG2 3.76Å; V2411-V2579 HydrophobicContact CG2-CG2 4.35Å; L2575-V2579 WeakPolarHBondContact O-CB 3.16Å; L2575-V2579 WeakPolarHBondContact O-CG2 3.18Å; L2575-V2579 PolarHBondContact O-N 2.88Å; V2576-V2579 PolarHBondContact O-N 3.33Å; V2579-Y2581 VanDerWaalsContact C-N 3.28Å; V2579-Y2581 PolarHBondContact O-N 3.3Å; V2579-R2582 PolarHBondContact O-N 3.26Å; V2579-I2583 HydrophobicContact CG1-CD1 3.9Å; V2579-I2583 WeakPolarHBondContact O-CG1 3.33Å; V2579-I2583 PolarHBondContact O-N 3.16Å; V2579-L2611 HydrophobicContact CG1-CD1 4.12Å; V2579-L2611 HydrophobicContact CG1-CD2 4.44Å |
| 2580 | Q | 91.7 | Very high | 90.6 | Very high | 22.6667 Ų | 22.6667 | 20.2 Ų | 20.2 | 11% | 0.106 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 174.3 | -165 | -168.1 | 10.8 | 0 | 0 | 111.3 | V2576 R2577 Q2578 K2584 L2608 L2611 E2612 | V2576-Q2580 PolarHBondContact O-N 3.03Å; R2577-Q2580 WeakPolarHBondContact O-CB 3.44Å; R2577-Q2580 PolarHBondContact O-N 3.18Å; Q2578-Q2580 VanDerWaalsContact C-N 3.33Å; Q2578-Q2580 PolarHBondContact O-N 3.22Å; Q2580-K2584 HydrophobicContact CG-CD 4.46Å; Q2580-K2584 VanDerWaalsContact O-CG 3.28Å; Q2580-K2584 WeakPolarHBondContact O-CG 3.25Å; Q2580-K2584 PolarHBondContact O-N 3.17Å; Q2580-K2584 VanDerWaalsContact O-N 3.13Å; Q2580-L2608 HydrophobicContact CG-CD2 4.24Å; Q2580-L2611 HydrophobicContact CB-CD1 4.23Å; Q2580-L2611 HydrophobicContact CG-CD1 4.43Å; Q2580-E2612 PolarHBondContact NE2-OE1 3.17Å |
| 2581 | Y | 91.7 | Very high | 90.4 | Very high | 93.6667 Ų | 93.6667 | 22 Ų | 22 | 37% | 0.367 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -64 | -44.8 | 175 | 179.1 | -102.3 | 0 | 0 | 0 | 112.2 | R2577 Q2578 V2579 I2583 K2584 Q2585 H2684 | R2577-Y2581 PolarHBondContact O-N 3.34Å; Q2578-Y2581 WeakPolarHBondContact O-CB 3.37Å; Q2578-Y2581 PolarHBondContact O-N 2.95Å; V2579-Y2581 VanDerWaalsContact C-N 3.28Å; V2579-Y2581 PolarHBondContact O-N 3.3Å; Y2581-I2583 PolarHBondContact O-N 2.93Å; Y2581-K2584 PolarHBondContact O-N 3.41Å; Y2581-Q2585 HydrophobicContact CD1-CG 4.25Å; Y2581-Q2585 HydrophobicContact CE1-CG 3.94Å; Y2581-Q2585 HydrophobicContact CE2-CG 4.33Å; Y2581-Q2585 WeakPolarHBondContact O-CB 3.37Å; Y2581-Q2585 WeakPolarHBondContact O-CG 3.4Å; Y2581-Q2585 PolarHBondContact O-N 3.25Å; Y2581-Q2585 PolarHBondContact OH-NE2 3.29Å; Y2581-H2684 AromaticContact CD1-CD2 3.99Å; Y2581-H2684 AromaticContact CD1-CE1 3.6Å; Y2581-H2684 WeakPolarHBondContact CD1-CE1 3.34Å; Y2581-H2684 AromaticContact CD1-ND1 3.96Å; Y2581-H2684 AromaticContact CD1-NE2 3.62Å; Y2581-H2684 WeakPolarHBondContact CD1-NE2 3.44Å; Y2581-H2684 AromaticContact CE1-CE1 3.63Å; Y2581-H2684 AromaticContact CE1-ND1 3.88Å; Y2581-H2684 AromaticContact CG-CD2 3.85Å; Y2581-H2684 AromaticContact CG-CE1 3.93Å; Y2581-H2684 AromaticContact CG-NE2 3.63Å |
| 2582 | R | 91.8 | Very high | 90.3 | Very high | 20.6667 Ų | 20.6667 | 23.3 Ų | 23.3 | 8% | 0.078 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 178.4 | -69.9 | -57.9 | -172.7 | -151.6 | -3 | 112.9 | F2391 V2411 V2415 Q2578 V2579 Q2585 F2586 | F2391-R2582 HydrophobicContact CE1-CB 4.31Å; F2391-R2582 HydrophobicContact CZ-CB 4.28Å; V2411-R2582 PolarHBondContact O-NE 3.01Å; V2411-R2582 PolarHBondContact O-NH2 3.04Å; V2415-R2582 HydrophobicContact CG2-CB 4.29Å; V2415-R2582 HydrophobicContact CG2-CG 4.47Å; Q2578-R2582 VanDerWaalsContact NE2-NE 3.14Å; Q2578-R2582 WeakPolarHBondContact O-CG 3.36Å; Q2578-R2582 PolarHBondContact O-N 3.34Å; V2579-R2582 PolarHBondContact O-N 3.26Å; R2582-Q2585 PolarHBondContact O-N 3.16Å; R2582-F2586 PolarHBondContact O-N 3.05Å |
| 2583 | I | 92.4 | Very high | 89.8 | Confident | 3.33333 Ų | 3.33333 | 28.9 Ų | 28.9 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -46.7 | 175.8 | -67.7 | 168.2 | 0 | 0 | 0 | 110 | W2387 F2391 L2392 V2579 Y2581 Q2585 F2586 L2587 I2604 L2608 L2611 | W2387-I2583 HydrophobicContact CH2-CG1 4.26Å; W2387-I2583 HydrophobicContact CZ3-CB 4.48Å; W2387-I2583 HydrophobicContact CZ3-CG1 4.09Å; F2391-I2583 HydrophobicContact CD1-CD1 4.39Å; F2391-I2583 HydrophobicContact CD1-CG1 4.05Å; F2391-I2583 HydrophobicContact CE1-CD1 4.48Å; F2391-I2583 HydrophobicContact CE1-CG1 4.13Å; L2392-I2583 HydrophobicContact CD1-CD1 4.13Å; L2392-I2583 HydrophobicContact CD2-CD1 3.57Å; L2392-I2583 HydrophobicContact CG-CD1 3.88Å; V2579-I2583 HydrophobicContact CG1-CD1 3.9Å; V2579-I2583 WeakPolarHBondContact O-CG1 3.33Å; V2579-I2583 PolarHBondContact O-N 3.16Å; Y2581-I2583 PolarHBondContact O-N 2.93Å; I2583-Q2585 VanDerWaalsContact C-N 3.29Å; I2583-Q2585 PolarHBondContact O-N 3.19Å; I2583-F2586 PolarHBondContact O-N 3.18Å; I2583-F2586 VanDerWaalsContact O-N 3.14Å; I2583-L2587 HydrophobicContact CG2-CD1 4.02Å; I2583-L2587 HydrophobicContact CG2-CG 4.39Å; I2583-L2587 VanDerWaalsContact O-CG 3.28Å; I2583-L2587 WeakPolarHBondContact O-CG 3.28Å; I2583-L2587 PolarHBondContact O-N 3.2Å; I2583-I2604 HydrophobicContact CG2-CG2 4.44Å; I2583-L2608 HydrophobicContact CB-CD2 4.42Å; I2583-L2608 HydrophobicContact CG2-CD2 3.95Å; I2583-L2611 HydrophobicContact CD1-CD1 3.92Å |
| 2584 | K | 91.2 | Very high | 89.3 | Confident | 63.3333 Ų | 63.3333 | 33 Ų | 33 | 28% | 0.275 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 176.2 | -71.7 | 174.2 | 178.2 | 176.3 | 0 | 112.2 | Q2580 Y2581 A2588 L2594 | Q2580-K2584 HydrophobicContact CG-CD 4.46Å; Q2580-K2584 VanDerWaalsContact O-CG 3.28Å; Q2580-K2584 WeakPolarHBondContact O-CG 3.25Å; Q2580-K2584 PolarHBondContact O-N 3.17Å; Q2580-K2584 VanDerWaalsContact O-N 3.13Å; Y2581-K2584 PolarHBondContact O-N 3.41Å; K2584-A2588 WeakPolarHBondContact O-CB 3.36Å; K2584-A2588 PolarHBondContact O-N 3.1Å; K2584-A2588 VanDerWaalsContact O-N 3.09Å; K2584-L2594 HydrophobicContact CB-CD2 4.06Å; K2584-L2594 HydrophobicContact CD-CD1 4.44Å; K2584-L2594 HydrophobicContact CD-CD2 4.05Å; K2584-L2594 HydrophobicContact CG-CD1 4.11Å; K2584-L2594 HydrophobicContact CG-CD2 4.05Å; K2584-L2594 HydrophobicContact CG-CG 4.36Å |
| 2585 | Q | 90.1 | Very high | 88.6 | Confident | 49.6667 Ų | 49.6667 | 38.5 Ų | 38.5 | 23% | 0.232 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.3 | -101.5 | -176.8 | -22.9 | 0 | 0 | 112.3 | V2415 Y2581 R2582 I2583 L2587 A2588 I2589 | V2415-Q2585 HydrophobicContact CB-CB 4.35Å; V2415-Q2585 HydrophobicContact CB-CG 4.22Å; V2415-Q2585 HydrophobicContact CG1-CB 3.98Å; V2415-Q2585 HydrophobicContact CG1-CG 4.3Å; V2415-Q2585 PolarHBondContact O-NE2 3.28Å; V2415-Q2585 VanDerWaalsContact O-NE2 3.07Å; Y2581-Q2585 HydrophobicContact CD1-CG 4.25Å; Y2581-Q2585 HydrophobicContact CE1-CG 3.94Å; Y2581-Q2585 HydrophobicContact CE2-CG 4.33Å; Y2581-Q2585 WeakPolarHBondContact O-CB 3.37Å; Y2581-Q2585 WeakPolarHBondContact O-CG 3.4Å; Y2581-Q2585 PolarHBondContact O-N 3.25Å; Y2581-Q2585 PolarHBondContact OH-NE2 3.29Å; R2582-Q2585 PolarHBondContact O-N 3.16Å; I2583-Q2585 VanDerWaalsContact C-N 3.29Å; I2583-Q2585 PolarHBondContact O-N 3.19Å; Q2585-L2587 VanDerWaalsContact C-N 3.33Å; Q2585-L2587 PolarHBondContact O-N 3.19Å; Q2585-A2588 PolarHBondContact O-N 3.06Å; Q2585-I2589 HydrophobicContact CG-CD1 4.17Å; Q2585-I2589 WeakPolarHBondContact O-CD1 3.43Å; Q2585-I2589 WeakPolarHBondContact O-CG1 3.31Å; Q2585-I2589 PolarHBondContact O-N 2.92Å |
| 2586 | F | 91.5 | Very high | 87.8 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 178.7 | -167.7 | -97.7 | 0 | 0 | 0 | 111.8 | V2384 W2387 V2415 L2419 F2420 I2423 F2424 R2582 I2583 A2588 I2589 A2590 | V2384-F2586 HydrophobicContact CB-CE1 4.43Å; V2384-F2586 HydrophobicContact CG1-CD1 4.41Å; V2384-F2586 HydrophobicContact CG1-CE1 4.4Å; V2384-F2586 HydrophobicContact CG2-CD1 4.49Å; V2384-F2586 HydrophobicContact CG2-CE1 4.03Å; W2387-F2586 HydrophobicContact CB-CE1 3.95Å; W2387-F2586 HydrophobicContact CB-CZ 4.04Å; W2387-F2586 AromaticContact CD1-CE2 3.99Å; W2387-F2586 AromaticContact CD1-CZ 3.89Å; W2387-F2586 AromaticContact CD2-CD1 3.68Å; W2387-F2586 HydrophobicContact CD2-CD1 3.68Å; W2387-F2586 AromaticContact CD2-CD2 3.91Å; W2387-F2586 HydrophobicContact CD2-CD2 4Å; W2387-F2586 AromaticContact CD2-CE1 3.56Å; W2387-F2586 HydrophobicContact CD2-CE1 3.56Å; W2387-F2586 AromaticContact CD2-CE2 3.92Å; W2387-F2586 HydrophobicContact CD2-CE2 3.92Å; W2387-F2586 AromaticContact CD2-CG 3.88Å; W2387-F2586 HydrophobicContact CD2-CG 3.88Å; W2387-F2586 AromaticContact CD2-CZ 3.68Å; W2387-F2586 HydrophobicContact CD2-CZ 3.68Å; W2387-F2586 AromaticContact CE2-CD2 3.76Å; W2387-F2586 AromaticContact CE2-CE2 3.82Å; W2387-F2586 AromaticContact CE2-CG 3.94Å; W2387-F2586 HydrophobicContact CE3-CB 4.14Å; W2387-F2586 AromaticContact CE3-CD1 3.27Å; W2387-F2586 HydrophobicContact CE3-CD1 3.27Å; W2387-F2586 HydrophobicContact CE3-CD2 4.22Å; W2387-F2586 AromaticContact CE3-CE1 3.57Å; W2387-F2586 HydrophobicContact CE3-CE1 3.57Å; W2387-F2586 VanDerWaalsContact CE3-CE1 3.44Å; W2387-F2586 HydrophobicContact CE3-CE2 4.46Å; W2387-F2586 AromaticContact CE3-CG 3.62Å; W2387-F2586 HydrophobicContact CE3-CG 3.62Å; W2387-F2586 HydrophobicContact CE3-CZ 4.16Å; W2387-F2586 HydrophobicContact CG-CD1 4.35Å; W2387-F2586 AromaticContact CG-CE1 3.74Å; W2387-F2586 HydrophobicContact CG-CE1 3.74Å; W2387-F2586 HydrophobicContact CG-CE2 4.12Å; W2387-F2586 AromaticContact CG-CZ 3.6Å; W2387-F2586 HydrophobicContact CG-CZ 3.6Å; W2387-F2586 HydrophobicContact CH2-CB 3.46Å; W2387-F2586 VanDerWaalsContact CH2-CB 3.46Å; W2387-F2586 HydrophobicContact CH2-CD1 4.17Å; W2387-F2586 AromaticContact CH2-CD2 3.96Å; W2387-F2586 HydrophobicContact CH2-CD2 4.03Å; W2387-F2586 AromaticContact CH2-CG 3.63Å; W2387-F2586 HydrophobicContact CH2-CG 3.63Å; W2387-F2586 HydrophobicContact CZ2-CB 4.08Å; W2387-F2586 HydrophobicContact CZ2-CD1 4.48Å; W2387-F2586 AromaticContact CZ2-CD2 3.77Å; W2387-F2586 HydrophobicContact CZ2-CD2 3.77Å; W2387-F2586 HydrophobicContact CZ2-CE2 4.3Å; W2387-F2586 AromaticContact CZ2-CG 3.87Å; W2387-F2586 HydrophobicContact CZ2-CG 3.87Å; W2387-F2586 HydrophobicContact CZ3-CB 3.49Å; W2387-F2586 VanDerWaalsContact CZ3-CB 3.47Å; W2387-F2586 AromaticContact CZ3-CD1 3.56Å; W2387-F2586 HydrophobicContact CZ3-CD1 3.56Å; W2387-F2586 VanDerWaalsContact CZ3-CD1 3.48Å; W2387-F2586 HydrophobicContact CZ3-CD2 4.24Å; W2387-F2586 HydrophobicContact CZ3-CE1 4.3Å; W2387-F2586 AromaticContact CZ3-CG 3.5Å; W2387-F2586 HydrophobicContact CZ3-CG 3.5Å; W2387-F2586 VanDerWaalsContact CZ3-CG 3.48Å; W2387-F2586 AromaticContact NE1-CE2 3.76Å; V2415-F2586 HydrophobicContact CG1-CB 3.8Å; V2415-F2586 HydrophobicContact CG1-CD2 3.82Å; V2415-F2586 HydrophobicContact CG1-CG 4.32Å; L2419-F2586 HydrophobicContact CD2-CD2 4.15Å; L2419-F2586 HydrophobicContact CD2-CE2 4.1Å; L2419-F2586 HydrophobicContact CG-CE2 4.47Å; F2420-F2586 HydrophobicContact CD2-CE1 4.41Å; F2420-F2586 HydrophobicContact CD2-CE2 4.15Å; F2420-F2586 AromaticContact CD2-CZ 3.82Å; F2420-F2586 HydrophobicContact CD2-CZ 3.82Å; F2420-F2586 HydrophobicContact CE2-CZ 4.24Å; I2423-F2586 HydrophobicContact CD1-CE2 4.14Å; I2423-F2586 HydrophobicContact CD1-CZ 4.15Å; F2424-F2586 HydrophobicContact CE2-CE1 4.48Å; F2424-F2586 AromaticContact CE2-CZ 3.88Å; F2424-F2586 HydrophobicContact CE2-CZ 3.88Å; F2424-F2586 HydrophobicContact CZ-CZ 4.43Å; R2582-F2586 PolarHBondContact O-N 3.05Å; I2583-F2586 PolarHBondContact O-N 3.18Å; I2583-F2586 VanDerWaalsContact O-N 3.14Å; F2586-A2588 VanDerWaalsContact C-N 3.33Å; F2586-A2588 PolarHBondContact O-N 3.06Å; F2586-I2589 PolarHBondContact O-N 3.24Å; F2586-A2590 PolarHBondContact O-N 3.18Å |
| 2587 | L | 89.7 | Confident | 87 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.9 | -67.3 | 172.7 | 0 | 0 | 0 | 111.9 | V2384 I2583 Q2585 I2589 A2590 G2591 F2592 L2594 M2597 I2604 L2608 | V2384-L2587 HydrophobicContact CG1-CD2 3.41Å; V2384-L2587 VanDerWaalsContact CG1-CD2 3.44Å; I2583-L2587 HydrophobicContact CG2-CD1 4.02Å; I2583-L2587 HydrophobicContact CG2-CG 4.39Å; I2583-L2587 VanDerWaalsContact O-CG 3.28Å; I2583-L2587 WeakPolarHBondContact O-CG 3.28Å; I2583-L2587 PolarHBondContact O-N 3.2Å; Q2585-L2587 VanDerWaalsContact C-N 3.33Å; Q2585-L2587 PolarHBondContact O-N 3.19Å; L2587-I2589 VanDerWaalsContact C-N 3.32Å; L2587-I2589 PolarHBondContact O-N 2.97Å; L2587-A2590 PolarHBondContact O-N 3.2Å; L2587-G2591 PolarHBondContact O-N 3.23Å; L2587-F2592 HydrophobicContact CD2-CD2 4.47Å; L2587-F2592 PolarHBondContact O-N 3.23Å; L2587-L2594 HydrophobicContact CD1-CD1 4.31Å; L2587-M2597 HydrophobicContact CB-CE 4.2Å; L2587-M2597 HydrophobicContact CD1-CE 4.13Å; L2587-M2597 HydrophobicContact CD1-CG 4.4Å; L2587-M2597 HydrophobicContact CD1-SD 4.24Å; L2587-M2597 HydrophobicContact CD2-CE 3.82Å; L2587-M2597 HydrophobicContact CD2-SD 4.08Å; L2587-M2597 HydrophobicContact CG-CE 4.14Å; L2587-I2604 HydrophobicContact CD1-CG2 4.16Å; L2587-I2604 HydrophobicContact CD2-CD1 4.37Å; L2587-I2604 HydrophobicContact CD2-CG2 4.48Å; L2587-L2608 HydrophobicContact CD1-CD1 4.35Å |
| 2588 | A | 88.5 | Confident | 86.3 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 50% | 0.504 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K2584 Q2585 F2586 A2590 G2591 | K2584-A2588 WeakPolarHBondContact O-CB 3.36Å; K2584-A2588 PolarHBondContact O-N 3.1Å; K2584-A2588 VanDerWaalsContact O-N 3.09Å; Q2585-A2588 PolarHBondContact O-N 3.06Å; F2586-A2588 VanDerWaalsContact C-N 3.33Å; F2586-A2588 PolarHBondContact O-N 3.06Å; A2588-A2590 VanDerWaalsContact C-N 3.35Å; A2588-G2591 PolarHBondContact O-N 3.22Å; A2588-G2591 VanDerWaalsContact O-N 3.15Å |
| 2589 | I | 87 | Confident | 85.5 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 21% | 0.205 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 176.6 | -70 | 165.6 | 0 | 0 | 0 | 111.7 | P2355 V2415 A2417 Q2585 F2586 L2587 G2591 | P2355-I2589 HydrophobicContact CB-CG2 4.14Å; P2355-I2589 WeakPolarHBondContact CB-O 3.37Å; P2355-I2589 HydrophobicContact CG-CG2 3.75Å; V2415-I2589 HydrophobicContact CG1-CD1 3.77Å; V2415-I2589 VanDerWaalsContact O-CD1 3.24Å; V2415-I2589 WeakPolarHBondContact O-CD1 3.32Å; A2417-I2589 HydrophobicContact CB-CG2 4.48Å; Q2585-I2589 HydrophobicContact CG-CD1 4.17Å; Q2585-I2589 WeakPolarHBondContact O-CD1 3.43Å; Q2585-I2589 WeakPolarHBondContact O-CG1 3.31Å; Q2585-I2589 PolarHBondContact O-N 2.92Å; F2586-I2589 PolarHBondContact O-N 3.24Å; L2587-I2589 VanDerWaalsContact C-N 3.32Å; L2587-I2589 PolarHBondContact O-N 2.97Å; I2589-G2591 PolarHBondContact O-N 3.25Å |
| 2590 | A | 85.8 | Confident | 84.9 | Confident | 1.66667 Ų | 1.66667 | 49.5 Ų | 49.5 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E2356 V2384 F2586 L2587 A2588 F2592 | E2356-A2590 WeakPolarHBondContact CA-O 3.37Å; V2384-A2590 HydrophobicContact CG2-CB 3.74Å; F2586-A2590 PolarHBondContact O-N 3.18Å; L2587-A2590 PolarHBondContact O-N 3.2Å; A2588-A2590 VanDerWaalsContact C-N 3.35Å; A2590-F2592 HydrophobicContact CB-CD2 3.75Å; A2590-F2592 HydrophobicContact CB-CE2 3.94Å |
| 2591 | G | 83 | Confident | 84.6 | Confident | 36.6667 Ų | 36.6667 | 48.5 Ų | 48.5 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 17 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E2356 L2587 A2588 I2589 | E2356-G2591 WeakPolarHBondContact OE1-CA 3.42Å; L2587-G2591 PolarHBondContact O-N 3.23Å; A2588-G2591 PolarHBondContact O-N 3.22Å; A2588-G2591 VanDerWaalsContact O-N 3.15Å; I2589-G2591 PolarHBondContact O-N 3.25Å |
| 2592 | F | 85.5 | Confident | 84.3 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | trans | -97.2 | 125.1 | 178.4 | -62.5 | -60.9 | 0 | 0 | 0 | 111.5 | L2380 V2381 V2384 L2587 A2590 M2597 I2600 | L2380-F2592 HydrophobicContact CD2-CE2 4.29Å; L2380-F2592 HydrophobicContact CD2-CZ 4Å; L2380-F2592 HydrophobicContact CG-CE2 4.09Å; L2380-F2592 HydrophobicContact CG-CZ 3.99Å; V2381-F2592 HydrophobicContact CG2-CE1 4.08Å; V2381-F2592 HydrophobicContact CG2-CE2 4.49Å; V2381-F2592 HydrophobicContact CG2-CZ 3.66Å; V2384-F2592 HydrophobicContact CB-CE2 4.44Å; V2384-F2592 HydrophobicContact CG2-CD2 4.43Å; V2384-F2592 HydrophobicContact CG2-CE2 3.96Å; L2587-F2592 HydrophobicContact CD2-CD2 4.47Å; L2587-F2592 PolarHBondContact O-N 3.23Å; A2590-F2592 HydrophobicContact CB-CD2 3.75Å; A2590-F2592 HydrophobicContact CB-CE2 3.94Å; F2592-M2597 HydrophobicContact CB-CE 3.65Å; F2592-M2597 HydrophobicContact CB-SD 3.61Å; F2592-M2597 HydrophobicContact CG-CE 4.45Å; F2592-M2597 HydrophobicContact CG-SD 4.12Å; F2592-I2600 HydrophobicContact CD1-CD1 3.75Å; F2592-I2600 HydrophobicContact CD1-CG2 4.16Å; F2592-I2600 HydrophobicContact CE1-CD1 4.28Å; F2592-I2600 HydrophobicContact CE1-CG2 3.93Å | ||
| 2593 | E | 80.6 | Confident | 84.2 | Confident | 123 Ų | 123 | 49 Ų | 49 | 58% | 0.575 | 30% | 0.3 | S | S | * | . | trans | -77.8 | 136 | 172.4 | -65.7 | -169.8 | 178 | 0 | 0 | 111.1 | T2595 E2596 M2597 | E2593-T2595 PolarHBondContact O-N 3.22Å; E2593-T2595 VanDerWaalsContact O-N 3.11Å; E2593-E2596 HydrophobicContact CB-CG 4.41Å; E2593-E2596 PolarHBondContact O-N 3.17Å; E2593-E2596 VanDerWaalsContact O-N 3.11Å; E2593-M2597 PolarHBondContact O-N 3.18Å | ||
| 2594 | L | 78 | Confident | 84.1 | Confident | 88 Ų | 88 | 49 Ų | 49 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.1 | -176.7 | -140.4 | 71.1 | 0 | 0 | 0 | 113.1 | K2584 L2587 E2596 M2597 L2608 | K2584-L2594 HydrophobicContact CB-CD2 4.06Å; K2584-L2594 HydrophobicContact CD-CD1 4.44Å; K2584-L2594 HydrophobicContact CD-CD2 4.05Å; K2584-L2594 HydrophobicContact CG-CD1 4.11Å; K2584-L2594 HydrophobicContact CG-CD2 4.05Å; K2584-L2594 HydrophobicContact CG-CG 4.36Å; L2587-L2594 HydrophobicContact CD1-CD1 4.31Å; L2594-E2596 VanDerWaalsContact C-N 3.33Å; L2594-M2597 WeakPolarHBondContact O-CB 3.24Å; L2594-L2608 HydrophobicContact CD1-CD1 4.09Å |
| 2595 | T | 76.7 | Confident | 84 | Confident | 116.333 Ų | 116.333 | 50.4 Ų | 50.4 | 71% | 0.714 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -29.1 | 178.9 | 40.7 | 0 | 0 | 0 | 0 | 113.3 | E2593 | E2593-T2595 PolarHBondContact O-N 3.22Å; E2593-T2595 VanDerWaalsContact O-N 3.11Å |
| 2596 | E | 77.6 | Confident | 83.9 | Confident | 114 Ų | 114 | 48.9 Ų | 48.9 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -10 | -178.4 | -59.4 | -168.7 | 156.3 | 0 | 0 | 112.5 | E2593 L2594 G2598 G2599 I2600 | E2593-E2596 HydrophobicContact CB-CG 4.41Å; E2593-E2596 PolarHBondContact O-N 3.17Å; E2593-E2596 VanDerWaalsContact O-N 3.11Å; L2594-E2596 VanDerWaalsContact C-N 3.33Å; E2596-G2598 VanDerWaalsContact C-N 3.26Å; E2596-G2598 PolarHBondContact O-N 2.95Å; E2596-G2598 VanDerWaalsContact O-N 3.14Å; E2596-G2599 PolarHBondContact O-N 3.29Å; E2596-I2600 HydrophobicContact CB-CD1 3.9Å; E2596-I2600 HydrophobicContact CB-CG1 4.43Å; E2596-I2600 WeakPolarHBondContact O-CG1 3.33Å; E2596-I2600 PolarHBondContact O-N 3.01Å; E2596-I2600 VanDerWaalsContact O-N 3.12Å |
| 2597 | M | 77 | Confident | 83.9 | Confident | 2.33333 Ų | 2.33333 | 48.9 Ų | 48.9 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56 | -36.5 | -174 | -137.4 | 30.7 | -61.6 | 0 | 0 | 113.6 | L2587 F2592 E2593 L2594 G2599 I2600 S2601 I2604 | L2587-M2597 HydrophobicContact CB-CE 4.2Å; L2587-M2597 HydrophobicContact CD1-CE 4.13Å; L2587-M2597 HydrophobicContact CD1-CG 4.4Å; L2587-M2597 HydrophobicContact CD1-SD 4.24Å; L2587-M2597 HydrophobicContact CD2-CE 3.82Å; L2587-M2597 HydrophobicContact CD2-SD 4.08Å; L2587-M2597 HydrophobicContact CG-CE 4.14Å; F2592-M2597 HydrophobicContact CB-CE 3.65Å; F2592-M2597 HydrophobicContact CB-SD 3.61Å; F2592-M2597 HydrophobicContact CG-CE 4.45Å; F2592-M2597 HydrophobicContact CG-SD 4.12Å; E2593-M2597 PolarHBondContact O-N 3.18Å; L2594-M2597 WeakPolarHBondContact O-CB 3.24Å; M2597-G2599 PolarHBondContact O-N 3.24Å; M2597-I2600 PolarHBondContact O-N 3.21Å; M2597-S2601 CarbonylContact O-C 3.52Å; M2597-S2601 PolarHBondContact O-N 3.13Å; M2597-S2601 VanDerWaalsContact O-O 3.09Å; M2597-I2604 HydrophobicContact CE-CB 3.74Å; M2597-I2604 HydrophobicContact CE-CD1 3.67Å; M2597-I2604 VanDerWaalsContact CE-CD1 3.44Å; M2597-I2604 HydrophobicContact CE-CG1 4.05Å; M2597-I2604 HydrophobicContact CE-CG2 3.79Å |
| 2598 | G | 76.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -24.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | E2596 | E2596-G2598 VanDerWaalsContact C-N 3.26Å; E2596-G2598 PolarHBondContact O-N 2.95Å; E2596-G2598 VanDerWaalsContact O-N 3.14Å |
| 2599 | G | 76.6 | Confident | 84 | Confident | 73.6667 Ų | 73.6667 | 48.2 Ų | 48.2 | 76% | 0.759 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -91.9 | -32.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E2596 M2597 | E2596-G2599 PolarHBondContact O-N 3.29Å; M2597-G2599 PolarHBondContact O-N 3.24Å |
| 2600 | I | 80.8 | Confident | 84.2 | Confident | 57.3333 Ų | 57.3333 | 46.3 Ų | 46.3 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.3 | -48.7 | -175.9 | -59.8 | 172 | 0 | 0 | 0 | 111.5 | V2381 F2592 E2596 M2597 | V2381-I2600 HydrophobicContact CG1-CG2 4.32Å; V2381-I2600 HydrophobicContact CG2-CG2 3.68Å; F2592-I2600 HydrophobicContact CD1-CD1 3.75Å; F2592-I2600 HydrophobicContact CD1-CG2 4.16Å; F2592-I2600 HydrophobicContact CE1-CD1 4.28Å; F2592-I2600 HydrophobicContact CE1-CG2 3.93Å; E2596-I2600 HydrophobicContact CB-CD1 3.9Å; E2596-I2600 HydrophobicContact CB-CG1 4.43Å; E2596-I2600 WeakPolarHBondContact O-CG1 3.33Å; E2596-I2600 PolarHBondContact O-N 3.01Å; E2596-I2600 VanDerWaalsContact O-N 3.12Å; M2597-I2600 PolarHBondContact O-N 3.21Å |
| 2601 | S | 85.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -142.4 | 101.5 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | E2385 M2597 L2603 I2604 Y2605 | E2385-S2601 VanDerWaalsContact OE1-CB 3.29Å; E2385-S2601 WeakPolarHBondContact OE1-CB 3.36Å; E2385-S2601 PolarHBondContact OE1-OG 3.31Å; M2597-S2601 CarbonylContact O-C 3.52Å; M2597-S2601 PolarHBondContact O-N 3.13Å; M2597-S2601 VanDerWaalsContact O-O 3.09Å; S2601-L2603 PolarHBondContact O-N 2.94Å; S2601-I2604 WeakPolarHBondContact OG-CG1 3.5Å; S2601-I2604 PolarHBondContact OG-N 3.01Å; S2601-Y2605 PolarHBondContact O-N 3.29Å | ||
| 2602 | P | 86.4 | Confident | 84.9 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 57% | 0.571 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.9 | -24 | 176.7 | 27.5 | -34.1 | 0 | 0 | 0 | 112.3 | G2606 | P2602-G2606 PolarHBondContact O-N 3.24Å |
| 2603 | L | 89.3 | Confident | 85.1 | Confident | 37 Ų | 37 | 53 Ų | 53 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.3 | -49.3 | -179.3 | -64.5 | 178.1 | 0 | 0 | 0 | 111.7 | L2278 K2279 S2601 Y2605 G2606 C2607 | L2278-L2603 HydrophobicContact CB-CB 4.07Å; L2278-L2603 HydrophobicContact CB-CD1 4.4Å; L2278-L2603 HydrophobicContact CD1-CB 3.83Å; L2278-L2603 HydrophobicContact CD1-CD1 4.14Å; K2279-L2603 HydrophobicContact CG-CD2 3.8Å; S2601-L2603 PolarHBondContact O-N 2.94Å; L2603-Y2605 VanDerWaalsContact C-N 3.32Å; L2603-Y2605 PolarHBondContact O-N 3.25Å; L2603-G2606 WeakPolarHBondContact O-CA 3.35Å; L2603-G2606 PolarHBondContact O-N 3.06Å; L2603-G2606 VanDerWaalsContact O-N 3.15Å; L2603-C2607 PolarHBondContact O-N 3.34Å; L2603-C2607 PolarHBondContact O-SG 2.99Å; L2603-C2607 VanDerWaalsContact O-SG 3.37Å |
| 2604 | I | 89.4 | Confident | 85.7 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.4 | -64.4 | 167.6 | 0 | 0 | 0 | 110.2 | V2384 E2385 A2388 I2583 L2587 M2597 S2601 G2606 C2607 L2608 | V2384-I2604 HydrophobicContact CG1-CD1 3.85Å; E2385-I2604 HydrophobicContact CB-CD1 4.43Å; E2385-I2604 HydrophobicContact CG-CD1 3.68Å; E2385-I2604 HydrophobicContact CG-CG1 4.02Å; A2388-I2604 HydrophobicContact CB-CD1 4.35Å; A2388-I2604 HydrophobicContact CB-CG1 4.24Å; I2583-I2604 HydrophobicContact CG2-CG2 4.44Å; L2587-I2604 HydrophobicContact CD1-CG2 4.16Å; L2587-I2604 HydrophobicContact CD2-CD1 4.37Å; L2587-I2604 HydrophobicContact CD2-CG2 4.48Å; M2597-I2604 HydrophobicContact CE-CB 3.74Å; M2597-I2604 HydrophobicContact CE-CD1 3.67Å; M2597-I2604 VanDerWaalsContact CE-CD1 3.44Å; M2597-I2604 HydrophobicContact CE-CG1 4.05Å; M2597-I2604 HydrophobicContact CE-CG2 3.79Å; S2601-I2604 WeakPolarHBondContact OG-CG1 3.5Å; S2601-I2604 PolarHBondContact OG-N 3.01Å; I2604-G2606 VanDerWaalsContact C-N 3.29Å; I2604-G2606 PolarHBondContact O-N 3.22Å; I2604-C2607 WeakPolarHBondContact O-CB 3.48Å; I2604-C2607 PolarHBondContact O-N 3.49Å; I2604-C2607 VanDerWaalsContact O-N 3.14Å; I2604-L2608 HydrophobicContact CG2-CD1 4.3Å; I2604-L2608 HydrophobicContact CG2-CG 4.41Å; I2604-L2608 WeakPolarHBondContact O-CG 3.49Å; I2604-L2608 PolarHBondContact O-N 3.14Å |
| 2605 | Y | 88.9 | Confident | 86.2 | Confident | 94.5 Ų | 94.5 | 43.6 Ų | 43.6 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 175.2 | -173.5 | -103.9 | 0 | 0 | 0 | 111.7 | S2601 L2603 C2607 L2608 N2609 | S2601-Y2605 PolarHBondContact O-N 3.29Å; L2603-Y2605 VanDerWaalsContact C-N 3.32Å; L2603-Y2605 PolarHBondContact O-N 3.25Å; Y2605-C2607 PolarHBondContact O-N 3.3Å; Y2605-L2608 PolarHBondContact O-N 3.05Å; Y2605-N2609 WeakPolarHBondContact CD1-ND2 3.45Å; Y2605-N2609 WeakPolarHBondContact CE1-ND2 3.32Å; Y2605-N2609 VanDerWaalsContact O-CG 3.3Å; Y2605-N2609 PolarHBondContact O-N 3.15Å; Y2605-N2609 PolarHBondContact O-ND2 3.37Å |
| 2606 | G | 87.5 | Confident | 86.7 | Confident | 17.5 Ų | 17.5 | 40.7 Ų | 40.7 | 18% | 0.18 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P2602 L2603 I2604 N2609 M2610 | P2602-G2606 PolarHBondContact O-N 3.24Å; L2603-G2606 WeakPolarHBondContact O-CA 3.35Å; L2603-G2606 PolarHBondContact O-N 3.06Å; L2603-G2606 VanDerWaalsContact O-N 3.15Å; I2604-G2606 VanDerWaalsContact C-N 3.29Å; I2604-G2606 PolarHBondContact O-N 3.22Å; G2606-N2609 PolarHBondContact O-N 3.19Å; G2606-M2610 PolarHBondContact O-N 2.92Å |
| 2607 | C | 91.8 | Very high | 87.1 | Confident | 2.5 Ų | 2.5 | 36.3 Ų | 36.3 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 176.3 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | L2392 L2603 I2604 Y2605 M2610 L2611 | L2392-C2607 HydrophobicContact CD1-CB 3.69Å; L2603-C2607 PolarHBondContact O-N 3.34Å; L2603-C2607 PolarHBondContact O-SG 2.99Å; L2603-C2607 VanDerWaalsContact O-SG 3.37Å; I2604-C2607 WeakPolarHBondContact O-CB 3.48Å; I2604-C2607 PolarHBondContact O-N 3.49Å; I2604-C2607 VanDerWaalsContact O-N 3.14Å; Y2605-C2607 PolarHBondContact O-N 3.3Å; C2607-M2610 WeakPolarHBondContact O-CB 3.35Å; C2607-M2610 PolarHBondContact O-N 3.31Å; C2607-L2611 WeakPolarHBondContact O-CG 3.43Å; C2607-L2611 PolarHBondContact O-N 3.07Å |
| 2608 | L | 90.8 | Very high | 87.6 | Confident | 6.5 Ų | 6.5 | 36.4 Ų | 36.4 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.2 | -73.4 | 174.4 | 0 | 0 | 0 | 111.3 | Q2580 I2583 L2587 L2594 I2604 Y2605 M2610 L2611 E2612 | Q2580-L2608 HydrophobicContact CG-CD2 4.24Å; I2583-L2608 HydrophobicContact CB-CD2 4.42Å; I2583-L2608 HydrophobicContact CG2-CD2 3.95Å; L2587-L2608 HydrophobicContact CD1-CD1 4.35Å; L2594-L2608 HydrophobicContact CD1-CD1 4.09Å; I2604-L2608 HydrophobicContact CG2-CD1 4.3Å; I2604-L2608 HydrophobicContact CG2-CG 4.41Å; I2604-L2608 WeakPolarHBondContact O-CG 3.49Å; I2604-L2608 PolarHBondContact O-N 3.14Å; Y2605-L2608 PolarHBondContact O-N 3.05Å; L2608-M2610 VanDerWaalsContact C-N 3.3Å; L2608-M2610 PolarHBondContact O-N 2.94Å; L2608-L2611 HydrophobicContact CD2-CD1 4.49Å; L2608-L2611 PolarHBondContact O-N 3.08Å; L2608-E2612 WeakPolarHBondContact O-CG 3.38Å; L2608-E2612 PolarHBondContact O-N 3.15Å |
| 2609 | N | 89.2 | Confident | 88 | Confident | 42 Ų | 42 | 36.5 Ų | 36.5 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | 174 | -68.8 | -24.2 | 0 | 0 | 0 | 112.1 | Y2605 G2606 E2612 R2613 | Y2605-N2609 WeakPolarHBondContact CD1-ND2 3.45Å; Y2605-N2609 WeakPolarHBondContact CE1-ND2 3.32Å; Y2605-N2609 VanDerWaalsContact O-CG 3.3Å; Y2605-N2609 PolarHBondContact O-N 3.15Å; Y2605-N2609 PolarHBondContact O-ND2 3.37Å; G2606-N2609 PolarHBondContact O-N 3.19Å; N2609-E2612 PolarHBondContact O-N 3.11Å; N2609-R2613 WeakPolarHBondContact O-CG 3.38Å; N2609-R2613 PolarHBondContact O-N 3.27Å; N2609-R2613 PolarHBondContact O-NE 3.37Å; N2609-R2613 VanDerWaalsContact O-NE 3.11Å |
| 2610 | M | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 172.6 | 172.8 | -113.5 | -10.1 | 0 | 0 | 110.8 | L2281 L2284 G2606 C2607 L2608 E2612 R2613 W2614 | L2281-M2610 HydrophobicContact CB-CE 4.14Å; L2281-M2610 WeakPolarHBondContact O-CE 3.32Å; L2284-M2610 HydrophobicContact CB-SD 4.24Å; L2284-M2610 VanDerWaalsContact O-CG 3.24Å; L2284-M2610 WeakPolarHBondContact O-CG 3.4Å; G2606-M2610 PolarHBondContact O-N 2.92Å; C2607-M2610 WeakPolarHBondContact O-CB 3.35Å; C2607-M2610 PolarHBondContact O-N 3.31Å; L2608-M2610 VanDerWaalsContact C-N 3.3Å; L2608-M2610 PolarHBondContact O-N 2.94Å; M2610-E2612 VanDerWaalsContact C-N 3.31Å; M2610-E2612 PolarHBondContact O-N 3.1Å; M2610-R2613 WeakPolarHBondContact O-CB 3.43Å; M2610-R2613 PolarHBondContact O-N 3.38Å; M2610-W2614 HydrophobicContact CE-CD2 4.17Å; M2610-W2614 HydrophobicContact CE-CE3 4.15Å; M2610-W2614 HydrophobicContact CE-CH2 4Å; M2610-W2614 HydrophobicContact CE-CZ2 3.92Å; M2610-W2614 HydrophobicContact CE-CZ3 3.99Å; M2610-W2614 HydrophobicContact CG-CZ2 4.19Å; M2610-W2614 VanDerWaalsContact O-CD1 3.25Å; M2610-W2614 PolarHBondContact O-N 3.05Å; M2610-W2614 HydrophobicContact SD-CD2 3.64Å; M2610-W2614 HydrophobicContact SD-CE3 4.02Å; M2610-W2614 HydrophobicContact SD-CG 4.24Å; M2610-W2614 HydrophobicContact SD-CH2 3.97Å; M2610-W2614 HydrophobicContact SD-CZ2 3.51Å; M2610-W2614 VanDerWaalsContact SD-CZ2 3.55Å; M2610-W2614 WeakPolarHBondContact SD-CZ2 3.36Å; M2610-W2614 HydrophobicContact SD-CZ3 4.14Å |
| 2611 | L | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 175.9 | -67.2 | 173.8 | 0 | 0 | 0 | 112 | L2392 V2576 V2579 Q2580 I2583 C2607 L2608 R2613 W2614 V2615 | L2392-L2611 HydrophobicContact CD2-CD1 4.18Å; L2392-L2611 HydrophobicContact CD2-CD2 4.31Å; V2576-L2611 HydrophobicContact CG1-CB 4.33Å; V2576-L2611 HydrophobicContact CG1-CD2 4Å; V2579-L2611 HydrophobicContact CG1-CD1 4.12Å; V2579-L2611 HydrophobicContact CG1-CD2 4.44Å; Q2580-L2611 HydrophobicContact CB-CD1 4.23Å; Q2580-L2611 HydrophobicContact CG-CD1 4.43Å; I2583-L2611 HydrophobicContact CD1-CD1 3.92Å; C2607-L2611 WeakPolarHBondContact O-CG 3.43Å; C2607-L2611 PolarHBondContact O-N 3.07Å; L2608-L2611 HydrophobicContact CD2-CD1 4.49Å; L2608-L2611 PolarHBondContact O-N 3.08Å; L2611-R2613 VanDerWaalsContact C-N 3.35Å; L2611-W2614 HydrophobicContact CD2-CE3 4.07Å; L2611-W2614 HydrophobicContact CD2-CZ3 4.35Å; L2611-W2614 WeakPolarHBondContact O-CB 3.36Å; L2611-W2614 PolarHBondContact O-N 3.42Å; L2611-V2615 WeakPolarHBondContact O-CG2 3.47Å; L2611-V2615 PolarHBondContact O-N 3.3Å |
| 2612 | E | 90.3 | Very high | 88.3 | Confident | 92 Ų | 92 | 37.7 Ų | 37.7 | 43% | 0.43 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.1 | -74 | -179.1 | -178.6 | 0 | 0 | 112.2 | Q2580 L2608 N2609 M2610 W2614 V2615 A2616 | Q2580-E2612 PolarHBondContact NE2-OE1 3.17Å; L2608-E2612 WeakPolarHBondContact O-CG 3.38Å; L2608-E2612 PolarHBondContact O-N 3.15Å; N2609-E2612 PolarHBondContact O-N 3.11Å; M2610-E2612 VanDerWaalsContact C-N 3.31Å; M2610-E2612 PolarHBondContact O-N 3.1Å; E2612-W2614 VanDerWaalsContact C-N 3.34Å; E2612-V2615 PolarHBondContact O-N 3.18Å; E2612-A2616 PolarHBondContact O-N 2.96Å |
| 2613 | R | 89.4 | Confident | 87.7 | Confident | 113.5 Ų | 113.5 | 38 Ų | 38 | 43% | 0.428 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 171.9 | -73.5 | 178.4 | -111.8 | 137.3 | -4.7 | 111.9 | N2609 M2610 L2611 A2616 S2617 | N2609-R2613 WeakPolarHBondContact O-CG 3.38Å; N2609-R2613 PolarHBondContact O-N 3.27Å; N2609-R2613 PolarHBondContact O-NE 3.37Å; N2609-R2613 VanDerWaalsContact O-NE 3.11Å; M2610-R2613 WeakPolarHBondContact O-CB 3.43Å; M2610-R2613 PolarHBondContact O-N 3.38Å; L2611-R2613 VanDerWaalsContact C-N 3.35Å; R2613-A2616 PolarHBondContact O-N 3.42Å; R2613-S2617 WeakPolarHBondContact O-CB 3.48Å; R2613-S2617 PolarHBondContact O-N 3.09Å |
| 2614 | W | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.7 | -69.9 | 8.3 | 0 | 0 | 0 | 112 | L2284 K2286 P2287 F2395 T2396 L2399 V2576 M2610 L2611 E2612 A2616 S2617 L2618 | L2284-W2614 HydrophobicContact CB-CZ2 3.73Å; L2284-W2614 HydrophobicContact CD1-CH2 4.38Å; L2284-W2614 HydrophobicContact CD1-CZ2 4.05Å; L2284-W2614 HydrophobicContact CG-CZ2 4.48Å; L2284-W2614 PolarHBondContact O-NE1 3.25Å; K2286-W2614 PolarHBondContact O-NE1 3.24Å; P2287-W2614 HydrophobicContact CB-CD2 4.08Å; P2287-W2614 HydrophobicContact CB-CE3 4.07Å; P2287-W2614 HydrophobicContact CB-CG 4.44Å; P2287-W2614 HydrophobicContact CB-CZ3 4.45Å; F2395-W2614 HydrophobicContact CE1-CZ3 4.4Å; T2396-W2614 HydrophobicContact CG2-CH2 3.59Å; T2396-W2614 HydrophobicContact CG2-CZ3 4.11Å; L2399-W2614 HydrophobicContact CD2-CZ3 4.21Å; V2576-W2614 HydrophobicContact CG1-CB 4.13Å; V2576-W2614 HydrophobicContact CG2-CE3 4.22Å; M2610-W2614 HydrophobicContact CE-CD2 4.17Å; M2610-W2614 HydrophobicContact CE-CE3 4.15Å; M2610-W2614 HydrophobicContact CE-CH2 4Å; M2610-W2614 HydrophobicContact CE-CZ2 3.92Å; M2610-W2614 HydrophobicContact CE-CZ3 3.99Å; M2610-W2614 HydrophobicContact CG-CZ2 4.19Å; M2610-W2614 VanDerWaalsContact O-CD1 3.25Å; M2610-W2614 PolarHBondContact O-N 3.05Å; M2610-W2614 HydrophobicContact SD-CD2 3.64Å; M2610-W2614 HydrophobicContact SD-CE3 4.02Å; M2610-W2614 HydrophobicContact SD-CG 4.24Å; M2610-W2614 HydrophobicContact SD-CH2 3.97Å; M2610-W2614 HydrophobicContact SD-CZ2 3.51Å; M2610-W2614 VanDerWaalsContact SD-CZ2 3.55Å; M2610-W2614 WeakPolarHBondContact SD-CZ2 3.36Å; M2610-W2614 HydrophobicContact SD-CZ3 4.14Å; L2611-W2614 HydrophobicContact CD2-CE3 4.07Å; L2611-W2614 HydrophobicContact CD2-CZ3 4.35Å; L2611-W2614 WeakPolarHBondContact O-CB 3.36Å; L2611-W2614 PolarHBondContact O-N 3.42Å; E2612-W2614 VanDerWaalsContact C-N 3.34Å; W2614-A2616 VanDerWaalsContact C-N 3.34Å; W2614-A2616 PolarHBondContact O-N 3.21Å; W2614-S2617 PolarHBondContact O-N 3.38Å; W2614-L2618 WeakPolarHBondContact O-CB 3.32Å; W2614-L2618 VanDerWaalsContact O-CG 3.3Å; W2614-L2618 WeakPolarHBondContact O-CG 3.41Å; W2614-L2618 PolarHBondContact O-N 3.39Å |
| 2615 | V | 89.8 | Confident | 86.7 | Confident | 14.5 Ų | 14.5 | 44.9 Ų | 44.9 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 173.4 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L2573 V2576 R2577 L2611 E2612 L2618 N2619 | L2573-V2615 HydrophobicContact CD1-CB 4.43Å; L2573-V2615 HydrophobicContact CD1-CG1 3.98Å; V2576-V2615 HydrophobicContact CB-CG2 4.3Å; V2576-V2615 HydrophobicContact CG1-CG2 3.61Å; R2577-V2615 HydrophobicContact CG-CG1 4.29Å; R2577-V2615 HydrophobicContact CG-CG2 3.89Å; L2611-V2615 WeakPolarHBondContact O-CG2 3.47Å; L2611-V2615 PolarHBondContact O-N 3.3Å; E2612-V2615 PolarHBondContact O-N 3.18Å; V2615-L2618 PolarHBondContact O-N 2.9Å; V2615-N2619 WeakPolarHBondContact CG1-ND2 3.47Å; V2615-N2619 WeakPolarHBondContact O-CB 3.33Å; V2615-N2619 VanDerWaalsContact O-CG 3.3Å; V2615-N2619 PolarHBondContact O-N 3.23Å; V2615-N2619 PolarHBondContact O-ND2 3.38Å |
| 2616 | A | 86 | Confident | 85.7 | Confident | 55.5 Ų | 55.5 | 45.6 Ų | 45.6 | 46% | 0.459 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E2612 R2613 W2614 L2618 N2619 D2620 | E2612-A2616 PolarHBondContact O-N 2.96Å; R2613-A2616 PolarHBondContact O-N 3.42Å; W2614-A2616 VanDerWaalsContact C-N 3.34Å; W2614-A2616 PolarHBondContact O-N 3.21Å; A2616-L2618 VanDerWaalsContact C-N 3.34Å; A2616-L2618 PolarHBondContact O-N 2.96Å; A2616-N2619 PolarHBondContact O-N 3.12Å; A2616-D2620 PolarHBondContact O-N 3.01Å |
| 2617 | S | 87.9 | Confident | 84.5 | Confident | 22.5 Ų | 22.5 | 48 Ų | 48 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 178.6 | -174.7 | 0 | 0 | 0 | 0 | 113.1 | R2613 W2614 D2620 E2621 | R2613-S2617 WeakPolarHBondContact O-CB 3.48Å; R2613-S2617 PolarHBondContact O-N 3.09Å; W2614-S2617 PolarHBondContact O-N 3.38Å; S2617-D2620 PolarHBondContact O-N 3.24Å; S2617-E2621 WeakPolarHBondContact O-CG 3.43Å; S2617-E2621 PolarHBondContact O-N 3.31Å |
| 2618 | L | 86.7 | Confident | 83.3 | Confident | 2.5 Ų | 2.5 | 49.3 Ų | 49.3 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.1 | -34.4 | 178.3 | -74.2 | 171.3 | 0 | 0 | 0 | 111.9 | P2287 R2572 L2573 V2576 W2614 V2615 A2616 E2621 L2622 | P2287-L2618 HydrophobicContact CG-CD1 4.37Å; P2287-L2618 HydrophobicContact CG-CD2 3.98Å; P2287-L2618 HydrophobicContact CG-CG 4.1Å; R2572-L2618 HydrophobicContact CB-CD1 4.13Å; R2572-L2618 HydrophobicContact CB-CD2 4.29Å; L2573-L2618 HydrophobicContact CB-CB 4.38Å; L2573-L2618 HydrophobicContact CD1-CB 3.99Å; V2576-L2618 HydrophobicContact CG2-CD1 3.95Å; W2614-L2618 WeakPolarHBondContact O-CB 3.32Å; W2614-L2618 VanDerWaalsContact O-CG 3.3Å; W2614-L2618 WeakPolarHBondContact O-CG 3.41Å; W2614-L2618 PolarHBondContact O-N 3.39Å; V2615-L2618 PolarHBondContact O-N 2.9Å; A2616-L2618 VanDerWaalsContact C-N 3.34Å; A2616-L2618 PolarHBondContact O-N 2.96Å; L2618-E2621 PolarHBondContact O-N 3.1Å; L2618-L2622 WeakPolarHBondContact O-CB 3.31Å; L2618-L2622 PolarHBondContact O-N 3.33Å |
| 2619 | N | 84.9 | Confident | 82.2 | Confident | 44.5 Ų | 44.5 | 50.2 Ų | 50.2 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 170.6 | -75.4 | -50.7 | 0 | 0 | 0 | 110.8 | L2573 V2615 A2616 E2621 L2622 E2623 | L2573-N2619 WeakPolarHBondContact CD2-OD1 3.4Å; V2615-N2619 WeakPolarHBondContact CG1-ND2 3.47Å; V2615-N2619 WeakPolarHBondContact O-CB 3.33Å; V2615-N2619 VanDerWaalsContact O-CG 3.3Å; V2615-N2619 PolarHBondContact O-N 3.23Å; V2615-N2619 PolarHBondContact O-ND2 3.38Å; A2616-N2619 PolarHBondContact O-N 3.12Å; N2619-E2621 VanDerWaalsContact C-N 3.34Å; N2619-E2621 PolarHBondContact O-N 2.95Å; N2619-L2622 PolarHBondContact O-N 3.21Å; N2619-L2622 VanDerWaalsContact O-N 3.14Å; N2619-E2623 WeakPolarHBondContact O-CG 3.39Å; N2619-E2623 PolarHBondContact O-N 3.35Å |
| 2620 | D | 82.5 | Confident | 81.1 | Confident | 89.5 Ų | 89.5 | 50.4 Ų | 50.4 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.7 | -121.8 | 22.8 | 0 | 0 | 0 | 112 | A2616 S2617 L2622 N2624 | A2616-D2620 PolarHBondContact O-N 3.01Å; S2617-D2620 PolarHBondContact O-N 3.24Å; D2620-L2622 VanDerWaalsContact C-N 3.31Å; D2620-L2622 PolarHBondContact O-N 3.34Å; D2620-N2624 VanDerWaalsContact O-CB 3.3Å; D2620-N2624 WeakPolarHBondContact O-CB 3.42Å; D2620-N2624 PolarHBondContact O-N 3.27Å; D2620-N2624 VanDerWaalsContact O-N 3.09Å; D2620-N2624 PolarHBondContact O-ND2 3.16Å; D2620-N2624 PolarHBondContact OD1-ND2 2.96Å |
| 2621 | E | 83.7 | Confident | 79.6 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -35.2 | 173.8 | -76.7 | -169.4 | 165.9 | 0 | 0 | 112.2 | K2289 R2572 S2617 L2618 N2619 Y2625 | K2289-E2621 IonicContact NZ-OE1 3.33Å; K2289-E2621 PolarHBondContact NZ-OE1 3.47Å; K2289-E2621 VanDerWaalsContact NZ-OE1 3.14Å; K2289-E2621 IonicContact NZ-OE2 2.84Å; R2572-E2621 IonicContact NH1-OE2 3.05Å; S2617-E2621 WeakPolarHBondContact O-CG 3.43Å; S2617-E2621 PolarHBondContact O-N 3.31Å; L2618-E2621 PolarHBondContact O-N 3.1Å; N2619-E2621 VanDerWaalsContact C-N 3.34Å; N2619-E2621 PolarHBondContact O-N 2.95Å; E2621-Y2625 PolarHBondContact O-N 3.23Å |
| 2622 | L | 81.6 | Confident | 78 | Confident | 15.5 Ų | 15.5 | 63.8 Ų | 63.8 | 8% | 0.081 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.4 | -39.7 | 179.6 | -165 | 79.2 | 0 | 0 | 0 | 112.5 | Y2566 L2569 I2570 L2573 L2618 N2619 D2620 N2624 Y2625 C2692 | Y2566-L2622 HydrophobicContact CD2-CD1 3.75Å; Y2566-L2622 HydrophobicContact CE2-CD1 3.33Å; Y2566-L2622 HydrophobicContact CE2-CG 3.83Å; L2569-L2622 HydrophobicContact CB-CD1 3.81Å; I2570-L2622 HydrophobicContact CG1-CD1 4.01Å; I2570-L2622 HydrophobicContact CG1-CD2 4.42Å; L2573-L2622 HydrophobicContact CD2-CD2 4.45Å; L2618-L2622 WeakPolarHBondContact O-CB 3.31Å; L2618-L2622 PolarHBondContact O-N 3.33Å; N2619-L2622 PolarHBondContact O-N 3.21Å; N2619-L2622 VanDerWaalsContact O-N 3.14Å; D2620-L2622 VanDerWaalsContact C-N 3.31Å; D2620-L2622 PolarHBondContact O-N 3.34Å; L2622-N2624 VanDerWaalsContact C-N 3.32Å; L2622-Y2625 WeakPolarHBondContact O-CB 3.32Å; L2622-Y2625 PolarHBondContact O-N 3Å; L2622-C2692 HydrophobicContact CD2-CB 3.89Å; L2622-C2692 WeakPolarHBondContact CD2-SG 3.35Å |
| 2623 | E | 75.1 | Confident | 77 | Confident | 95.5 Ų | 95.5 | 60 Ų | 60 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.9 | -35 | 177.2 | -72 | -171.2 | 158.5 | 0 | 0 | 112 | N2619 Y2625 K2695 N2761 | N2619-E2623 WeakPolarHBondContact O-CG 3.39Å; N2619-E2623 PolarHBondContact O-N 3.35Å; E2623-Y2625 VanDerWaalsContact C-N 3.31Å; E2623-Y2625 PolarHBondContact O-N 3.43Å; E2623-K2695 IonicContact OE1-NZ 2.82Å; E2623-K2695 PolarHBondContact OE1-NZ 2.92Å; E2623-N2761 PolarHBondContact OE1-ND2 3.43Å; E2623-N2761 PolarHBondContact OE2-ND2 3.22Å |
| 2624 | N | 79.2 | Confident | 76 | Confident | 121.5 Ų | 121.5 | 54.6 Ų | 54.6 | 65% | 0.65 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 7.1 | 177.1 | -64.9 | -48 | 0 | 0 | 0 | 113.7 | D2620 L2622 | D2620-N2624 VanDerWaalsContact O-CB 3.3Å; D2620-N2624 WeakPolarHBondContact O-CB 3.42Å; D2620-N2624 PolarHBondContact O-N 3.27Å; D2620-N2624 VanDerWaalsContact O-N 3.09Å; D2620-N2624 PolarHBondContact O-ND2 3.16Å; D2620-N2624 PolarHBondContact OD1-ND2 2.96Å; L2622-N2624 VanDerWaalsContact C-N 3.32Å |
| 2625 | Y | 77.1 | Confident | 74.5 | Confident | 62.5 Ų | 62.5 | 59.1 Ų | 59.1 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -63.9 | 128.3 | -178.1 | -165.1 | -94.6 | 0 | 0 | 0 | 111 | N2564 Y2566 L2569 E2621 L2622 E2623 G2627 G2628 | N2564-Y2625 WeakPolarHBondContact O-CE2 3.37Å; N2564-Y2625 PolarHBondContact O-OH 3.03Å; N2564-Y2625 VanDerWaalsContact O-OH 3.04Å; Y2566-Y2625 AromaticContact CD2-CD1 3.71Å; Y2566-Y2625 HydrophobicContact CD2-CD1 3.71Å; Y2566-Y2625 HydrophobicContact CD2-CD2 4.37Å; Y2566-Y2625 HydrophobicContact CD2-CE1 4.14Å; Y2566-Y2625 AromaticContact CD2-CG 3.83Å; Y2566-Y2625 HydrophobicContact CD2-CG 3.83Å; Y2566-Y2625 HydrophobicContact CE2-CD1 4.41Å; Y2566-Y2625 HydrophobicContact CE2-CG 4.38Å; Y2566-Y2625 HydrophobicContact CG-CD1 4.48Å; L2569-Y2625 HydrophobicContact CD1-CD2 3.45Å; L2569-Y2625 VanDerWaalsContact CD1-CD2 3.45Å; L2569-Y2625 HydrophobicContact CD1-CE2 3.62Å; L2569-Y2625 HydrophobicContact CD1-CG 4.5Å; E2621-Y2625 PolarHBondContact O-N 3.23Å; L2622-Y2625 WeakPolarHBondContact O-CB 3.32Å; L2622-Y2625 PolarHBondContact O-N 3Å; E2623-Y2625 VanDerWaalsContact C-N 3.31Å; E2623-Y2625 PolarHBondContact O-N 3.43Å; Y2625-G2627 PolarHBondContact O-N 2.96Å; Y2625-G2627 VanDerWaalsContact O-N 3.13Å; Y2625-G2628 PolarHBondContact O-N 3.37Å |
| 2626 | P | 68.5 | Low | 73 | Confident | 110 Ų | 110 | 60.2 Ų | 60.2 | 71% | 0.714 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 118.8 | -174 | 23.1 | -32.8 | 0 | 0 | 0 | 111.3 | ||
| 2627 | G | 62.2 | Low | 71.6 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -4.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y2625 | Y2625-G2627 PolarHBondContact O-N 2.96Å; Y2625-G2627 VanDerWaalsContact O-N 3.13Å |
| 2628 | G | 66.7 | Low | 70 | Confident | 29.5 Ų | 29.5 | 59.8 Ų | 59.8 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 66.6 | -156.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y2625 | Y2625-G2628 PolarHBondContact O-N 3.37Š|
| 2629 | C | 67.1 | Low | 68.3 | Low | 25 Ų | 25 | 64.8 Ų | 64.8 | 17% | 0.169 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -59.1 | 127 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | Y2566 K2697 | Y2566-C2629 HydrophobicContact CE1-CB 3.92Å; C2629-K2697 WeakPolarHBondContact O-CE 3.45Å |
| 2630 | P | 66.3 | Low | 66.7 | Low | 46 Ų | 46 | 62.9 Ų | 62.9 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 139.8 | 176.4 | -25.4 | 33.5 | 0 | 0 | 0 | 112 | Y2566 N2632 F2633 | Y2566-P2630 VanDerWaalsContact CD1-CD 3.5Å; Y2566-P2630 HydrophobicContact CD1-CG 4.39Å; Y2566-P2630 HydrophobicContact CG-CG 4.42Å; P2630-N2632 PolarHBondContact O-N 2.97Å; P2630-F2633 HydrophobicContact CB-CD2 4.41Å; P2630-F2633 HydrophobicContact CG-CD2 4.15Å; P2630-F2633 WeakPolarHBondContact O-CB 3.46Å; P2630-F2633 PolarHBondContact O-N 3.21Å |
| 2631 | E | 60.7 | Low | 65.2 | Low | 145 Ų | 145 | 64.3 Ų | 64.3 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 136.2 | 172.4 | -63.1 | -119.5 | 156.4 | 0 | 0 | 109.4 | F2633 K2697 | E2631-F2633 VanDerWaalsContact C-N 3.33Å; E2631-F2633 PolarHBondContact O-N 3.18Å; E2631-K2697 IonicContact OE1-NZ 3Å; E2631-K2697 PolarHBondContact OE1-NZ 3.03Å |
| 2632 | N | 60.4 | Low | 63.6 | Low | 136.5 Ų | 136.5 | 70.2 Ų | 70.2 | 73% | 0.73 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 34.5 | -173.6 | -56.3 | -33.7 | 0 | 0 | 0 | 115.2 | P2630 L2634 | P2630-N2632 PolarHBondContact O-N 2.97Å; N2632-L2634 VanDerWaalsContact C-N 3.25Å; N2632-L2634 PolarHBondContact O-N 3.34Å |
| 2633 | F | 68.5 | Low | 61.8 | Low | 12 Ų | 12 | 72.1 Ų | 72.1 | 5% | 0.053 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -53.6 | -37.8 | 177.5 | -177.2 | -105.5 | 0 | 0 | 0 | 114.2 | Y2566 A2567 I2570 P2630 E2631 P2661 W2676 I2693 | Y2566-F2633 HydrophobicContact CD1-CD2 4.12Å; Y2566-F2633 AromaticContact CD1-CE2 3.84Å; Y2566-F2633 HydrophobicContact CD1-CE2 3.84Å; Y2566-F2633 HydrophobicContact CD1-CZ 4.2Å; A2567-F2633 HydrophobicContact CB-CE2 3.91Å; A2567-F2633 HydrophobicContact CB-CZ 3.84Å; I2570-F2633 HydrophobicContact CD1-CE1 4.14Å; I2570-F2633 HydrophobicContact CD1-CZ 4.07Å; P2630-F2633 HydrophobicContact CB-CD2 4.41Å; P2630-F2633 HydrophobicContact CG-CD2 4.15Å; P2630-F2633 WeakPolarHBondContact O-CB 3.46Å; P2630-F2633 PolarHBondContact O-N 3.21Å; E2631-F2633 VanDerWaalsContact C-N 3.33Å; E2631-F2633 PolarHBondContact O-N 3.18Å; F2633-P2661 HydrophobicContact CD2-CB 4.34Å; F2633-P2661 HydrophobicContact CE1-CB 4.03Å; F2633-P2661 HydrophobicContact CE1-CG 4.15Å; F2633-P2661 HydrophobicContact CE2-CB 3.74Å; F2633-P2661 HydrophobicContact CE2-CG 4.41Å; F2633-P2661 HydrophobicContact CZ-CB 3.57Å; F2633-P2661 HydrophobicContact CZ-CG 3.77Å; F2633-W2676 AromaticContact CE1-CH2 3.85Å; F2633-W2676 HydrophobicContact CE1-CH2 3.85Å; F2633-W2676 HydrophobicContact CE1-CZ2 4.33Å; F2633-W2676 HydrophobicContact CZ-CH2 4.04Å; F2633-I2693 HydrophobicContact CD1-CG1 4.31Å; F2633-I2693 HydrophobicContact CE1-CD1 4.48Å; F2633-I2693 HydrophobicContact CE1-CG1 4.28Å |
| 2634 | L | 68.9 | Low | 60.4 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -109.7 | 134.1 | 168.4 | -62.7 | 179.8 | 0 | 0 | 0 | 109.5 | N2632 S2636 A2637 I2654 N2659 I2693 | N2632-L2634 VanDerWaalsContact C-N 3.25Å; N2632-L2634 PolarHBondContact O-N 3.34Å; L2634-S2636 PolarHBondContact O-N 3.36Å; L2634-A2637 HydrophobicContact CB-CB 4.06Å; L2634-A2637 VanDerWaalsContact O-CB 3.25Å; L2634-A2637 WeakPolarHBondContact O-CB 3.43Å; L2634-A2637 PolarHBondContact O-N 3.15Å; L2634-I2654 HydrophobicContact CD1-CG1 4.41Å; L2634-N2659 WeakPolarHBondContact CB-OD1 3.46Å; L2634-N2659 WeakPolarHBondContact CD2-O 3.37Å; L2634-I2693 HydrophobicContact CD1-CD1 4.14Å; L2634-I2693 HydrophobicContact CD1-CG2 3.91Å; L2634-I2693 HydrophobicContact CG-CG2 4.35Å |
| 2635 | P | 60.4 | Low | 59 | Low | 94 Ų | 94 | 67.4 Ų | 67.4 | 61% | 0.61 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -35.4 | 179.8 | -29.9 | 33.1 | 0 | 0 | 0 | 115.1 | N2659 | P2635-N2659 VanDerWaalsContact CD-OD1 3.25Å; P2635-N2659 WeakPolarHBondContact CD-OD1 3.26Å; P2635-N2659 VanDerWaalsContact N-OD1 3.16Å |
| 2636 | S | 59.5 | Low | 57.8 | Low | 37.5 Ų | 37.5 | 68.4 Ų | 68.4 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 11.6 | -179.8 | 2.6 | 0 | 0 | 0 | 0 | 114.7 | L2634 G2638 V2639 N2659 | L2634-S2636 PolarHBondContact O-N 3.36Å; S2636-G2638 VanDerWaalsContact C-N 3.26Å; S2636-G2638 PolarHBondContact O-N 3.29Å; S2636-G2638 VanDerWaalsContact O-N 3.15Å; S2636-V2639 PolarHBondContact O-N 3.02Å; S2636-N2659 PolarHBondContact N-OD1 3.15Å; S2636-N2659 PolarHBondContact OG-ND2 3.49Å; S2636-N2659 PolarHBondContact OG-OD1 3.06Å; S2636-N2659 VanDerWaalsContact OG-OD1 3.04Å |
| 2637 | A | 55.5 | Low | 57.2 | Low | 22.5 Ų | 22.5 | 64.6 Ų | 64.6 | 19% | 0.186 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.1 | -34.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2634 V2639 A2640 | L2634-A2637 HydrophobicContact CB-CB 4.06Å; L2634-A2637 VanDerWaalsContact O-CB 3.25Å; L2634-A2637 WeakPolarHBondContact O-CB 3.43Å; L2634-A2637 PolarHBondContact O-N 3.15Å; A2637-V2639 VanDerWaalsContact C-N 3.27Å; A2637-V2639 PolarHBondContact O-N 2.91Å; A2637-A2640 WeakPolarHBondContact O-CB 3.37Å; A2637-A2640 PolarHBondContact O-N 3.09Å; A2637-A2640 VanDerWaalsContact O-N 3.13Å |
| 2638 | G | 54 | Low | 57.1 | Low | 48 Ų | 48 | 67 Ų | 67 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2636 A2640 N2641 | S2636-G2638 VanDerWaalsContact C-N 3.26Å; S2636-G2638 PolarHBondContact O-N 3.29Å; S2636-G2638 VanDerWaalsContact O-N 3.15Å; G2638-A2640 VanDerWaalsContact C-N 3.27Å; G2638-A2640 PolarHBondContact O-N 3.34Å; G2638-N2641 PolarHBondContact O-N 3Å |
| 2639 | V | 52.1 | Low | 56.9 | Low | 106 Ų | 106 | 70 Ų | 70 | 64% | 0.642 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -69 | -28.3 | -179.1 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | S2636 A2637 N2641 E2642 | S2636-V2639 PolarHBondContact O-N 3.02Å; A2637-V2639 VanDerWaalsContact C-N 3.27Å; A2637-V2639 PolarHBondContact O-N 2.91Å; V2639-N2641 VanDerWaalsContact C-N 3.27Å; V2639-N2641 PolarHBondContact O-N 3.27Å; V2639-E2642 PolarHBondContact O-N 2.89Å |
| 2640 | A | 50.5 | Low | 56.8 | Low | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -71.8 | -26 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A2637 G2638 E2642 R2650 V2653 F2694 | A2637-A2640 WeakPolarHBondContact O-CB 3.37Å; A2637-A2640 PolarHBondContact O-N 3.09Å; A2637-A2640 VanDerWaalsContact O-N 3.13Å; G2638-A2640 VanDerWaalsContact C-N 3.27Å; G2638-A2640 PolarHBondContact O-N 3.34Å; A2640-E2642 VanDerWaalsContact C-N 3.27Å; A2640-E2642 PolarHBondContact O-N 3.49Å; A2640-R2650 HydrophobicContact CB-CG 3.93Å; A2640-R2650 WeakPolarHBondContact O-CD 3.36Å; A2640-R2650 WeakPolarHBondContact O-CG 3.35Å; A2640-R2650 PolarHBondContact O-NE 2.96Å; A2640-V2653 HydrophobicContact CB-CG2 4.15Å; A2640-F2694 HydrophobicContact CB-CE1 3.94Å; A2640-F2694 HydrophobicContact CB-CZ 4Å |
| 2641 | N | 52.2 | Low | 56.8 | Low | 117.5 Ų | 117.5 | 70.1 Ų | 70.1 | 63% | 0.628 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -76.4 | -24.1 | 178.5 | -98.7 | -10.5 | 0 | 0 | 0 | 113.1 | G2638 V2639 R2650 | G2638-N2641 PolarHBondContact O-N 3Å; V2639-N2641 VanDerWaalsContact C-N 3.27Å; V2639-N2641 PolarHBondContact O-N 3.27Å; N2641-R2650 PolarHBondContact OD1-NH1 2.9Å; N2641-R2650 PolarHBondContact OD1-NH2 3.18Å |
| 2642 | E | 49.4 | Very low | 57.3 | Low | 175.5 Ų | 175.5 | 70.6 Ų | 70.6 | 82% | 0.82 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -88.2 | -22 | -178.6 | -65.1 | -171.4 | 163.1 | 0 | 0 | 113.3 | V2639 A2640 G2644 | V2639-E2642 PolarHBondContact O-N 2.89Å; A2640-E2642 VanDerWaalsContact C-N 3.27Å; A2640-E2642 PolarHBondContact O-N 3.49Å; E2642-G2644 PolarHBondContact O-N 3.31Å |
| 2643 | A | 44.2 | Very low | 57.8 | Low | 55.5 Ų | 55.5 | 65.1 Ų | 65.1 | 46% | 0.459 | 39% | 0.392 | S | S | . | . | trans | -82 | 93.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G2645 | A2643-G2645 PolarHBondContact O-N 3.05Š| ||
| 2644 | G | 45.8 | Very low | 58.1 | Low | 88 Ų | 88 | 64.9 Ų | 64.9 | 91% | 0.907 | 39% | 0.391 | S | S | * | . | trans | -65.9 | 43.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | E2642 | E2642-G2644 PolarHBondContact O-N 3.31Š| ||
| 2645 | G | 48.2 | Very low | 58.2 | Low | 29.5 Ų | 29.5 | 68.1 Ų | 68.1 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | trans | -96.2 | 165.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2643 S2647 | A2643-G2645 PolarHBondContact O-N 3.05Å; G2645-S2647 PolarHBondContact O-N 3.44Å | ||
| 2646 | P | 52.4 | Low | 58.7 | Low | 84 Ų | 84 | 68.1 Ų | 68.1 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | trans | -52.7 | 142.2 | 177.2 | 1.6 | -2.4 | 0 | 0 | 0 | 110.5 | L2648 H2649 | P2646-L2648 CarbonylContact O-C 3.46Å; P2646-L2648 WeakPolarHBondContact O-CA 3.5Å; P2646-L2648 PolarHBondContact O-N 3.06Å; P2646-H2649 WeakPolarHBondContact O-CB 3.25Å; P2646-H2649 PolarHBondContact O-N 3.12Å | ||
| 2647 | S | 57 | Low | 59.1 | Low | 29 Ų | 29 | 68.9 Ų | 68.9 | 20% | 0.203 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -36.1 | -35.4 | -177.2 | 55.2 | 0 | 0 | 0 | 0 | 115.8 | G2645 H2649 R2650 F2651 E2772 | G2645-S2647 PolarHBondContact O-N 3.44Å; S2647-H2649 VanDerWaalsContact C-N 3.29Å; S2647-H2649 PolarHBondContact O-N 3.12Å; S2647-R2650 WeakPolarHBondContact O-CB 3.33Å; S2647-R2650 PolarHBondContact O-N 3.23Å; S2647-R2650 VanDerWaalsContact O-N 3.1Å; S2647-F2651 WeakPolarHBondContact O-CD2 3.45Å; S2647-F2651 WeakPolarHBondContact O-CG 3.34Å; S2647-F2651 PolarHBondContact O-N 3.31Å; S2647-E2772 WeakPolarHBondContact CB-OE2 3.34Å |
| 2648 | L | 58.9 | Low | 59.8 | Low | 118 Ų | 118 | 73.8 Ų | 73.8 | 62% | 0.618 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -50.7 | -37.7 | 171.8 | -68.6 | 173.5 | 0 | 0 | 0 | 115 | P2646 R2650 F2651 R2652 T2776 | P2646-L2648 CarbonylContact O-C 3.46Å; P2646-L2648 WeakPolarHBondContact O-CA 3.5Å; P2646-L2648 PolarHBondContact O-N 3.06Å; L2648-R2650 VanDerWaalsContact C-N 3.28Å; L2648-R2650 PolarHBondContact O-N 2.64Å; L2648-F2651 PolarHBondContact O-N 3.01Å; L2648-R2652 PolarHBondContact O-N 3.08Å; L2648-R2652 VanDerWaalsContact O-N 3.07Å; L2648-T2776 HydrophobicContact CD2-CG2 4.3Å |
| 2649 | H | 61.9 | Low | 60.8 | Low | 94 Ų | 94 | 71.6 Ų | 71.6 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 178.4 | -83.6 | -81.9 | 0 | 0 | 0 | 112.2 | P2646 S2647 F2651 R2652 V2653 | P2646-H2649 WeakPolarHBondContact O-CB 3.25Å; P2646-H2649 PolarHBondContact O-N 3.12Å; S2647-H2649 VanDerWaalsContact C-N 3.29Å; S2647-H2649 PolarHBondContact O-N 3.12Å; H2649-F2651 VanDerWaalsContact C-N 3.31Å; H2649-F2651 PolarHBondContact O-N 3.01Å; H2649-R2652 VanDerWaalsContact CE1-CZ 3.43Å; H2649-R2652 PolarHBondContact CE1-NH2 3.16Å; H2649-R2652 WeakPolarHBondContact O-CB 3.46Å; H2649-R2652 PolarHBondContact O-N 3.42Å; H2649-V2653 WeakPolarHBondContact O-CG2 3.34Å; H2649-V2653 PolarHBondContact O-N 3.3Å; H2649-V2653 VanDerWaalsContact O-N 3.15Å |
| 2650 | R | 65.6 | Low | 61.8 | Low | 44.5 Ų | 44.5 | 66.8 Ų | 66.8 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 176.4 | -121.9 | 178 | 175 | 161.3 | -0.8 | 111.5 | A2640 N2641 S2647 L2648 R2652 V2653 I2654 F2694 T2769 E2772 | A2640-R2650 HydrophobicContact CB-CG 3.93Å; A2640-R2650 WeakPolarHBondContact O-CD 3.36Å; A2640-R2650 WeakPolarHBondContact O-CG 3.35Å; A2640-R2650 PolarHBondContact O-NE 2.96Å; N2641-R2650 PolarHBondContact OD1-NH1 2.9Å; N2641-R2650 PolarHBondContact OD1-NH2 3.18Å; S2647-R2650 WeakPolarHBondContact O-CB 3.33Å; S2647-R2650 PolarHBondContact O-N 3.23Å; S2647-R2650 VanDerWaalsContact O-N 3.1Å; L2648-R2650 VanDerWaalsContact C-N 3.28Å; L2648-R2650 PolarHBondContact O-N 2.64Å; R2650-R2652 VanDerWaalsContact C-N 3.31Å; R2650-R2652 PolarHBondContact O-N 2.92Å; R2650-V2653 WeakPolarHBondContact O-CG2 3.41Å; R2650-V2653 PolarHBondContact O-N 2.94Å; R2650-I2654 WeakPolarHBondContact O-CG1 3.24Å; R2650-I2654 PolarHBondContact O-N 2.83Å; R2650-F2694 HydrophobicContact CB-CD2 3.95Å; R2650-F2694 HydrophobicContact CB-CE2 3.61Å; R2650-F2694 HydrophobicContact CB-CZ 4.14Å; R2650-F2694 HydrophobicContact CG-CD1 4.46Å; R2650-F2694 HydrophobicContact CG-CD2 3.99Å; R2650-F2694 HydrophobicContact CG-CE1 4.43Å; R2650-F2694 HydrophobicContact CG-CE2 3.91Å; R2650-F2694 HydrophobicContact CG-CG 4.26Å; R2650-F2694 HydrophobicContact CG-CZ 4.15Å; R2650-T2769 VanDerWaalsContact CZ-CG2 3.42Å; R2650-E2772 IonicContact NH1-OE2 2.68Å |
| 2651 | F | 67.2 | Low | 62.9 | Low | 27.5 Ų | 27.5 | 66.8 Ų | 66.8 | 12% | 0.121 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.3 | -29.5 | 177.6 | -61.4 | -53.5 | 0 | 0 | 0 | 113.1 | S2647 L2648 H2649 V2653 I2654 L2655 M2686 I2690 F2694 E2772 | S2647-F2651 WeakPolarHBondContact O-CD2 3.45Å; S2647-F2651 WeakPolarHBondContact O-CG 3.34Å; S2647-F2651 PolarHBondContact O-N 3.31Å; L2648-F2651 PolarHBondContact O-N 3.01Å; H2649-F2651 VanDerWaalsContact C-N 3.31Å; H2649-F2651 PolarHBondContact O-N 3.01Å; F2651-V2653 VanDerWaalsContact C-N 3.33Å; F2651-V2653 PolarHBondContact O-N 3.28Å; F2651-V2653 VanDerWaalsContact O-N 3.08Å; F2651-I2654 PolarHBondContact O-N 3.23Å; F2651-L2655 WeakPolarHBondContact O-CD1 3.22Å; F2651-L2655 VanDerWaalsContact O-CG 3.32Å; F2651-L2655 WeakPolarHBondContact O-CG 3.25Å; F2651-L2655 PolarHBondContact O-N 3.32Å; F2651-M2686 HydrophobicContact CB-CE 4.04Å; F2651-M2686 HydrophobicContact CD1-CB 4.23Å; F2651-M2686 HydrophobicContact CD1-CE 3.07Å; F2651-M2686 HydrophobicContact CD1-SD 4.45Å; F2651-M2686 HydrophobicContact CE1-CB 3.78Å; F2651-M2686 HydrophobicContact CE1-CE 3.56Å; F2651-M2686 HydrophobicContact CE1-SD 4.46Å; F2651-M2686 HydrophobicContact CG-CE 3.76Å; F2651-I2690 HydrophobicContact CB-CD1 4.25Å; F2651-I2690 HydrophobicContact CB-CG1 4.36Å; F2651-I2690 HydrophobicContact CD1-CD1 3.81Å; F2651-I2690 HydrophobicContact CD1-CG1 4.1Å; F2651-I2690 HydrophobicContact CD1-CG2 4.08Å; F2651-I2690 HydrophobicContact CD2-CD1 4.09Å; F2651-I2690 HydrophobicContact CD2-CG1 4.33Å; F2651-I2690 HydrophobicContact CE1-CD1 3Å; F2651-I2690 HydrophobicContact CE1-CG1 4.24Å; F2651-I2690 HydrophobicContact CE1-CG2 3.58Å; F2651-I2690 HydrophobicContact CE2-CD1 4.12Å; F2651-I2690 HydrophobicContact CE2-CG2 4.28Å; F2651-I2690 HydrophobicContact CG-CD1 3.97Å; F2651-I2690 HydrophobicContact CG-CG1 3.94Å; F2651-I2690 HydrophobicContact CZ-CD1 3.39Å; F2651-I2690 HydrophobicContact CZ-CG2 3.7Å; F2651-F2694 AromaticContact CD1-CD2 3.64Å; F2651-F2694 HydrophobicContact CD1-CD2 3.64Å; F2651-F2694 AromaticContact CD1-CE2 3.57Å; F2651-F2694 HydrophobicContact CD1-CE2 3.57Å; F2651-F2694 HydrophobicContact CD1-CG 4.4Å; F2651-F2694 HydrophobicContact CD1-CZ 4.3Å; F2651-F2694 HydrophobicContact CE1-CB 4.47Å; F2651-F2694 AromaticContact CE1-CD2 3.74Å; F2651-F2694 HydrophobicContact CE1-CD2 3.74Å; F2651-F2694 HydrophobicContact CE1-CE2 4.13Å; F2651-F2694 HydrophobicContact CE1-CG 4.13Å; F2651-E2772 WeakPolarHBondContact CZ-OE2 3.39Å |
| 2652 | R | 70.2 | Confident | 64 | Low | 156 Ų | 156 | 61.4 Ų | 61.4 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.3 | -33 | 176.8 | -123.7 | -178.2 | -132.3 | -177.2 | -3.4 | 112.4 | L2648 H2649 R2650 I2654 L2655 E2656 | L2648-R2652 PolarHBondContact O-N 3.08Å; L2648-R2652 VanDerWaalsContact O-N 3.07Å; H2649-R2652 VanDerWaalsContact CE1-CZ 3.43Å; H2649-R2652 PolarHBondContact CE1-NH2 3.16Å; H2649-R2652 WeakPolarHBondContact O-CB 3.46Å; H2649-R2652 PolarHBondContact O-N 3.42Å; R2650-R2652 VanDerWaalsContact C-N 3.31Å; R2650-R2652 PolarHBondContact O-N 2.92Å; R2652-I2654 PolarHBondContact O-N 3.46Å; R2652-L2655 WeakPolarHBondContact O-CB 3.44Å; R2652-L2655 PolarHBondContact O-N 2.85Å; R2652-E2656 PolarHBondContact O-N 3.16Å |
| 2653 | V | 71.8 | Confident | 64.8 | Low | 20.5 Ų | 20.5 | 57.4 Ų | 57.4 | 12% | 0.124 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | A2640 H2649 R2650 F2651 N2659 | A2640-V2653 HydrophobicContact CB-CG2 4.15Å; H2649-V2653 WeakPolarHBondContact O-CG2 3.34Å; H2649-V2653 PolarHBondContact O-N 3.3Å; H2649-V2653 VanDerWaalsContact O-N 3.15Å; R2650-V2653 WeakPolarHBondContact O-CG2 3.41Å; R2650-V2653 PolarHBondContact O-N 2.94Å; F2651-V2653 VanDerWaalsContact C-N 3.33Å; F2651-V2653 PolarHBondContact O-N 3.28Å; F2651-V2653 VanDerWaalsContact O-N 3.08Å; V2653-N2659 WeakPolarHBondContact CG1-ND2 3.38Å; V2653-N2659 PolarHBondContact O-ND2 3.09Å |
| 2654 | I | 74.4 | Confident | 65.7 | Low | 7.5 Ų | 7.5 | 57.9 Ų | 57.9 | 4% | 0.038 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.8 | -29 | 177.2 | -49.1 | 169.7 | 0 | 0 | 0 | 111.2 | L2634 R2650 F2651 R2652 E2656 V2680 F2689 I2690 I2693 F2694 | L2634-I2654 HydrophobicContact CD1-CG1 4.41Å; R2650-I2654 WeakPolarHBondContact O-CG1 3.24Å; R2650-I2654 PolarHBondContact O-N 2.83Å; F2651-I2654 PolarHBondContact O-N 3.23Å; R2652-I2654 PolarHBondContact O-N 3.46Å; I2654-E2656 VanDerWaalsContact C-N 3.31Å; I2654-E2656 PolarHBondContact O-N 3.2Å; I2654-V2680 HydrophobicContact CB-CG1 4.14Å; I2654-V2680 HydrophobicContact CG2-CB 4.29Å; I2654-V2680 HydrophobicContact CG2-CG1 3.42Å; I2654-V2680 VanDerWaalsContact CG2-CG1 3.42Å; I2654-V2680 HydrophobicContact CG2-CG2 3.81Å; I2654-F2689 HydrophobicContact CD1-CB 4.22Å; I2654-F2689 HydrophobicContact CG2-CB 4.46Å; I2654-I2690 HydrophobicContact CD1-CG1 4.1Å; I2654-I2693 HydrophobicContact CD1-CD1 4.22Å; I2654-I2693 HydrophobicContact CG1-CD1 4.42Å; I2654-I2693 HydrophobicContact CG2-CD1 4.39Å; I2654-F2694 HydrophobicContact CD1-CD2 4.37Å; I2654-F2694 HydrophobicContact CD1-CE2 3.68Å; I2654-F2694 HydrophobicContact CG1-CE2 3.87Å; I2654-F2694 HydrophobicContact CG1-CZ 4.39Å |
| 2655 | L | 71.7 | Confident | 66.6 | Low | 69.5 Ų | 69.5 | 57.2 Ų | 57.2 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.4 | -13.5 | -177.7 | -69.7 | 167 | 0 | 0 | 0 | 113.7 | F2651 R2652 V2680 R2681 M2686 | F2651-L2655 WeakPolarHBondContact O-CD1 3.22Å; F2651-L2655 VanDerWaalsContact O-CG 3.32Å; F2651-L2655 WeakPolarHBondContact O-CG 3.25Å; F2651-L2655 PolarHBondContact O-N 3.32Å; R2652-L2655 WeakPolarHBondContact O-CB 3.44Å; R2652-L2655 PolarHBondContact O-N 2.85Å; L2655-V2680 HydrophobicContact CD2-CG1 3.99Å; L2655-R2681 HydrophobicContact CD2-CG 4.04Å; L2655-M2686 HydrophobicContact CD1-CE 4.42Å |
| 2656 | E | 70.9 | Confident | 67.6 | Low | 94 Ų | 94 | 58.5 Ų | 58.5 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | trans | -68.3 | 125.6 | 179.6 | -71.7 | -177.9 | 176.9 | 0 | 0 | 111.3 | R2652 I2654 N2658 N2659 | R2652-E2656 PolarHBondContact O-N 3.16Å; I2654-E2656 VanDerWaalsContact C-N 3.31Å; I2654-E2656 PolarHBondContact O-N 3.2Å; E2656-N2658 PolarHBondContact O-N 3.33Å; E2656-N2658 VanDerWaalsContact O-N 3.09Å; E2656-N2659 HydrophobicContact CB-CB 4.09Å; E2656-N2659 PolarHBondContact O-N 3.36Å | ||
| 2657 | P | 67.9 | Low | 68.5 | Low | 54 Ų | 54 | 59.9 Ų | 59.9 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.5 | -172.9 | -1.7 | -0 | 0 | 0 | 0 | 114.9 | R2673 L2677 | P2657-R2673 PolarHBondContact O-NE 3.35Å; P2657-R2673 PolarHBondContact O-NH2 3.01Å; P2657-L2677 HydrophobicContact CB-CD2 4.45Å |
| 2658 | N | 69.7 | Low | 69.3 | Low | 126 Ų | 126 | 61.7 Ų | 61.7 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -11.1 | -179.6 | -65.4 | -13 | 0 | 0 | 0 | 112.9 | E2656 T2660 R2673 | E2656-N2658 PolarHBondContact O-N 3.33Å; E2656-N2658 VanDerWaalsContact O-N 3.09Å; N2658-T2660 PolarHBondContact O-N 3.48Å; N2658-R2673 PolarHBondContact OD1-NH2 3.37Å |
| 2659 | N | 73.8 | Confident | 70.2 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.011 | 31% | 0.305 | C | S | . | . | trans | -100.9 | 68.2 | -173.2 | -162.2 | 35.7 | 0 | 0 | 0 | 110.9 | L2634 P2635 S2636 V2653 E2656 | L2634-N2659 WeakPolarHBondContact CB-OD1 3.46Å; L2634-N2659 WeakPolarHBondContact CD2-O 3.37Å; P2635-N2659 VanDerWaalsContact CD-OD1 3.25Å; P2635-N2659 WeakPolarHBondContact CD-OD1 3.26Å; P2635-N2659 VanDerWaalsContact N-OD1 3.16Å; S2636-N2659 PolarHBondContact N-OD1 3.15Å; S2636-N2659 PolarHBondContact OG-ND2 3.49Å; S2636-N2659 PolarHBondContact OG-OD1 3.06Å; S2636-N2659 VanDerWaalsContact OG-OD1 3.04Å; V2653-N2659 WeakPolarHBondContact CG1-ND2 3.38Å; V2653-N2659 PolarHBondContact O-ND2 3.09Å; E2656-N2659 HydrophobicContact CB-CB 4.09Å; E2656-N2659 PolarHBondContact O-N 3.36Å | ||
| 2660 | T | 75 | Confident | 71.1 | Confident | 3.5 Ų | 3.5 | 53.4 Ų | 53.4 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -120.6 | 152.1 | 178.3 | 67 | 0 | 0 | 0 | 0 | 110.5 | N2658 F2662 R2673 W2676 L2677 | N2658-T2660 PolarHBondContact O-N 3.48Å; T2660-F2662 PolarHBondContact O-N 3.24Å; T2660-F2662 PolarHBondContact OG1-O 3.16Å; T2660-R2673 HydrophobicContact CG2-CG 4.21Å; T2660-W2676 HydrophobicContact CG2-CG 4.48Å; T2660-L2677 HydrophobicContact CG2-CD2 3.86Å; T2660-L2677 HydrophobicContact CG2-CG 4.25Å |
| 2661 | P | 72.6 | Confident | 71.8 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.045 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -66.9 | -2.7 | 176.3 | 28.6 | -35.6 | 0 | 0 | 0 | 113.5 | Q2559 A2567 F2633 P2663 W2676 | Q2559-P2661 PolarHBondContact OE1-O 3.05Å; A2567-P2661 HydrophobicContact CB-CB 4.19Å; A2567-P2661 HydrophobicContact CB-CG 4.02Å; F2633-P2661 HydrophobicContact CD2-CB 4.34Å; F2633-P2661 HydrophobicContact CE1-CB 4.03Å; F2633-P2661 HydrophobicContact CE1-CG 4.15Å; F2633-P2661 HydrophobicContact CE2-CB 3.74Å; F2633-P2661 HydrophobicContact CE2-CG 4.41Å; F2633-P2661 HydrophobicContact CZ-CB 3.57Å; F2633-P2661 HydrophobicContact CZ-CG 3.77Å; P2661-P2663 WeakPolarHBondContact O-CD 3.48Å; P2661-W2676 HydrophobicContact CG-CD2 4.16Å; P2661-W2676 HydrophobicContact CG-CE3 4Å; P2661-W2676 HydrophobicContact CG-CH2 3.95Å; P2661-W2676 HydrophobicContact CG-CZ2 4.06Å; P2661-W2676 HydrophobicContact CG-CZ3 3.91Å |
| 2662 | F | 75.6 | Confident | 72.6 | Confident | 3.5 Ų | 3.5 | 50.8 Ų | 50.8 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | trans | -108 | 90.1 | 178.3 | -48.4 | -65.2 | 0 | 0 | 0 | 109.7 | Q2559 H2560 A2567 L2571 T2660 T2669 V2672 W2676 | Q2559-F2662 HydrophobicContact CB-CE1 4.35Å; H2560-F2662 HydrophobicContact CB-CD1 3.78Å; H2560-F2662 HydrophobicContact CB-CE1 4.05Å; A2567-F2662 HydrophobicContact CB-CE1 4.05Å; A2567-F2662 HydrophobicContact CB-CZ 3.85Å; L2571-F2662 HydrophobicContact CD1-CE2 4.29Å; L2571-F2662 HydrophobicContact CD1-CZ 4.05Å; T2660-F2662 PolarHBondContact O-N 3.24Å; T2660-F2662 PolarHBondContact OG1-O 3.16Å; F2662-T2669 HydrophobicContact CB-CG2 4.26Å; F2662-V2672 HydrophobicContact CD1-CG1 4.49Å; F2662-V2672 HydrophobicContact CD2-CB 4.5Å; F2662-V2672 HydrophobicContact CD2-CG1 4.11Å; F2662-V2672 HydrophobicContact CE1-CG1 4.04Å; F2662-V2672 HydrophobicContact CE2-CB 4.38Å; F2662-V2672 HydrophobicContact CE2-CG1 3.53Å; F2662-V2672 VanDerWaalsContact CE2-CG1 3.48Å; F2662-V2672 HydrophobicContact CZ-CG1 3.48Å; F2662-V2672 VanDerWaalsContact CZ-CG1 3.42Å; F2662-W2676 HydrophobicContact CE2-CB 4.24Å; F2662-W2676 HydrophobicContact CE2-CD2 4.38Å; F2662-W2676 HydrophobicContact CE2-CE3 4.03Å; F2662-W2676 HydrophobicContact CE2-CG 4.48Å | ||
| 2663 | P | 65.8 | Low | 73.2 | Confident | 92.5 Ų | 92.5 | 45 Ų | 45 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | trans | -72.8 | 67.5 | -177.6 | 28.4 | -34.5 | 0 | 0 | 0 | 113.1 | P2661 G2665 | P2661-P2663 WeakPolarHBondContact O-CD 3.48Å; P2663-G2665 PolarHBondContact O-N 3.2Å | ||
| 2664 | S | 63.2 | Low | 73.8 | Confident | 66 Ų | 66 | 45 Ų | 45 | 46% | 0.462 | 26% | 0.261 | S | S | . | . | trans | -76.1 | 80.7 | -173 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | D2666 T2669 | S2664-D2666 WeakPolarHBondContact CB-OD2 3.44Å; S2664-D2666 PolarHBondContact O-N 3.13Å; S2664-D2666 PolarHBondContact OG-OD2 3.03Å; S2664-T2669 PolarHBondContact O-OG1 2.91Å; S2664-T2669 WeakPolarHBondContact OG-CG2 3.37Å | ||
| 2665 | G | 64.2 | Low | 74.3 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 75% | 0.753 | 26% | 0.26 | S | S | * | . | trans | -80.3 | -22.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P2663 R2667 | P2663-G2665 PolarHBondContact O-N 3.2Å; G2665-R2667 PolarHBondContact O-N 3.49Å | ||
| 2666 | D | 69.7 | Low | 75 | Confident | 55.5 Ų | 55.5 | 41.4 Ų | 41.4 | 30% | 0.297 | 24% | 0.242 | S | C | . | . | trans | -77.4 | 134.1 | -176.5 | -49.8 | -42.5 | 0 | 0 | 0 | 111.4 | K2558 H2560 S2664 S2668 T2669 | K2558-D2666 VanDerWaalsContact CD-OD2 3.25Å; K2558-D2666 WeakPolarHBondContact CD-OD2 3.24Å; K2558-D2666 WeakPolarHBondContact CE-OD2 3.49Å; K2558-D2666 IonicContact NZ-OD1 3.73Å; K2558-D2666 PolarHBondContact NZ-OD1 3.27Å; K2558-D2666 IonicContact NZ-OD2 3.9Å; K2558-D2666 PolarHBondContact NZ-OD2 3.44Å; H2560-D2666 IonicContact CE1-OD2 3.82Å; H2560-D2666 PolarHBondContact CE1-OD2 2.84Å; S2664-D2666 WeakPolarHBondContact CB-OD2 3.44Å; S2664-D2666 PolarHBondContact O-N 3.13Å; S2664-D2666 PolarHBondContact OG-OD2 3.03Å; D2666-S2668 WeakPolarHBondContact CB-OG 3.47Å; D2666-S2668 PolarHBondContact O-N 3.27Å; D2666-S2668 VanDerWaalsContact O-N 3.13Å; D2666-T2669 HydrophobicContact CB-CG2 4.25Å; D2666-T2669 WeakPolarHBondContact O-CB 3.33Å; D2666-T2669 PolarHBondContact O-N 3.36Å; D2666-T2669 PolarHBondContact O-OG1 3.14Å | ||
| 2667 | R | 71.6 | Confident | 75.7 | Confident | 113.5 Ų | 113.5 | 37.3 Ų | 37.3 | 43% | 0.428 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.1 | 178.1 | -156.8 | 172.1 | -177.5 | 178.9 | -0.2 | 113.1 | E2536 N2538 G2665 T2669 L2670 | E2536-R2667 IonicContact OE2-NH2 3.85Å; N2538-R2667 PolarHBondContact OD1-NH1 3.05Å; N2538-R2667 PolarHBondContact OD1-NH2 3.14Å; G2665-R2667 PolarHBondContact O-N 3.49Å; R2667-T2669 PolarHBondContact O-N 2.87Å; R2667-L2670 HydrophobicContact CB-CD1 4.44Å; R2667-L2670 HydrophobicContact CG-CD1 3.88Å; R2667-L2670 PolarHBondContact O-N 3.45Å |
| 2668 | S | 74.1 | Confident | 76.5 | Confident | 67 Ų | 67 | 35.3 Ų | 35.3 | 47% | 0.469 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.3 | 173.3 | 57.7 | 0 | 0 | 0 | 0 | 114 | H2560 D2666 P2671 | H2560-S2668 PolarHBondContact NE2-OG 2.76Å; D2666-S2668 WeakPolarHBondContact CB-OG 3.47Å; D2666-S2668 PolarHBondContact O-N 3.27Å; D2666-S2668 VanDerWaalsContact O-N 3.13Å; S2668-P2671 WeakPolarHBondContact O-CD 3.39Å |
| 2669 | T | 77.7 | Confident | 77.3 | Confident | 0.5 Ų | 0.5 | 29.3 Ų | 29.3 | 0% | 0.003 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -25.3 | 180 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | H2560 F2662 S2664 D2666 R2667 V2672 R2673 | H2560-T2669 HydrophobicContact CB-CG2 4.32Å; H2560-T2669 VanDerWaalsContact ND1-CG2 3.34Å; H2560-T2669 WeakPolarHBondContact ND1-CG2 3.4Å; F2662-T2669 HydrophobicContact CB-CG2 4.26Å; S2664-T2669 PolarHBondContact O-OG1 2.91Å; S2664-T2669 WeakPolarHBondContact OG-CG2 3.37Å; D2666-T2669 HydrophobicContact CB-CG2 4.25Å; D2666-T2669 WeakPolarHBondContact O-CB 3.33Å; D2666-T2669 PolarHBondContact O-N 3.36Å; D2666-T2669 PolarHBondContact O-OG1 3.14Å; R2667-T2669 PolarHBondContact O-N 2.87Å; T2669-V2672 PolarHBondContact O-N 3.09Å; T2669-V2672 VanDerWaalsContact O-N 3.12Å; T2669-R2673 WeakPolarHBondContact O-CB 3.45Å; T2669-R2673 PolarHBondContact O-N 3.2Å |
| 2670 | L | 80.1 | Confident | 77.8 | Confident | 37.5 Ų | 37.5 | 29.4 Ų | 29.4 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | -172 | -59.4 | 176.6 | 0 | 0 | 0 | 114.4 | Y2532 R2667 V2672 R2673 R2674 | Y2532-L2670 HydrophobicContact CD1-CB 4.04Å; Y2532-L2670 HydrophobicContact CD2-CB 3.54Å; Y2532-L2670 VanDerWaalsContact CD2-CB 3.44Å; Y2532-L2670 HydrophobicContact CD2-CD1 3.5Å; Y2532-L2670 VanDerWaalsContact CD2-CD1 3.44Å; Y2532-L2670 HydrophobicContact CD2-CG 4.16Å; Y2532-L2670 HydrophobicContact CE1-CB 4.41Å; Y2532-L2670 HydrophobicContact CE2-CB 4.06Å; Y2532-L2670 HydrophobicContact CE2-CD1 4.08Å; Y2532-L2670 HydrophobicContact CG-CB 3.52Å; Y2532-L2670 VanDerWaalsContact CG-CB 3.48Å; Y2532-L2670 HydrophobicContact CG-CD1 4.21Å; Y2532-L2670 HydrophobicContact CG-CG 4.46Å; R2667-L2670 HydrophobicContact CB-CD1 4.44Å; R2667-L2670 HydrophobicContact CG-CD1 3.88Å; R2667-L2670 PolarHBondContact O-N 3.45Å; L2670-V2672 PolarHBondContact O-N 3.14Å; L2670-R2673 PolarHBondContact O-N 3.24Å; L2670-R2674 WeakPolarHBondContact O-CB 3.42Å; L2670-R2674 PolarHBondContact O-N 3.43Å |
| 2671 | P | 81.3 | Confident | 78.2 | Confident | 11 Ų | 11 | 32.5 Ų | 32.5 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 175.8 | -23.2 | 34.5 | 0 | 0 | 0 | 113.4 | S2404 R2405 Y2532 S2668 R2674 L2675 | S2404-P2671 VanDerWaalsContact OG-CB 3.25Å; S2404-P2671 WeakPolarHBondContact OG-CB 3.46Å; R2405-P2671 HydrophobicContact CG-CB 4.23Å; Y2532-P2671 HydrophobicContact CD1-CG 4.4Å; Y2532-P2671 HydrophobicContact CE1-CB 4.2Å; Y2532-P2671 HydrophobicContact CE1-CG 3.68Å; S2668-P2671 WeakPolarHBondContact O-CD 3.39Å; P2671-R2674 PolarHBondContact O-N 2.91Å; P2671-L2675 PolarHBondContact O-N 3.33Å; P2671-L2675 VanDerWaalsContact O-N 3.12Å |
| 2672 | V | 83.5 | Confident | 78.7 | Confident | 7.5 Ų | 7.5 | 34 Ų | 34 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.1 | -39.7 | -179.6 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | W2568 L2571 F2662 T2669 L2670 R2674 L2675 W2676 | W2568-V2672 HydrophobicContact CZ2-CG1 4.19Å; W2568-V2672 HydrophobicContact CZ2-CG2 4.15Å; L2571-V2672 HydrophobicContact CD1-CG1 3.84Å; F2662-V2672 HydrophobicContact CD1-CG1 4.49Å; F2662-V2672 HydrophobicContact CD2-CB 4.5Å; F2662-V2672 HydrophobicContact CD2-CG1 4.11Å; F2662-V2672 HydrophobicContact CE1-CG1 4.04Å; F2662-V2672 HydrophobicContact CE2-CB 4.38Å; F2662-V2672 HydrophobicContact CE2-CG1 3.53Å; F2662-V2672 VanDerWaalsContact CE2-CG1 3.48Å; F2662-V2672 HydrophobicContact CZ-CG1 3.48Å; F2662-V2672 VanDerWaalsContact CZ-CG1 3.42Å; T2669-V2672 PolarHBondContact O-N 3.09Å; T2669-V2672 VanDerWaalsContact O-N 3.12Å; L2670-V2672 PolarHBondContact O-N 3.14Å; V2672-R2674 VanDerWaalsContact C-N 3.33Å; V2672-R2674 PolarHBondContact O-N 2.87Å; V2672-L2675 WeakPolarHBondContact O-CB 3.11Å; V2672-L2675 PolarHBondContact O-N 3.12Å; V2672-W2676 WeakPolarHBondContact O-CB 3.34Å; V2672-W2676 PolarHBondContact O-N 3.38Å |
| 2673 | R | 83 | Confident | 79 | Confident | 32.5 Ų | 32.5 | 42 Ų | 42 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 173.6 | -173.3 | 175.7 | 174.1 | -154 | -4.7 | 111.2 | E2531 P2657 N2658 T2660 T2669 L2670 L2675 W2676 L2677 | E2531-R2673 IonicContact OE2-CZ 3.73Å; E2531-R2673 IonicContact OE2-NH1 2.73Å; E2531-R2673 PolarHBondContact OE2-NH1 3.27Å; E2531-R2673 IonicContact OE2-NH2 3.18Å; E2531-R2673 PolarHBondContact OE2-NH2 3.21Å; P2657-R2673 PolarHBondContact O-NE 3.35Å; P2657-R2673 PolarHBondContact O-NH2 3.01Å; N2658-R2673 PolarHBondContact OD1-NH2 3.37Å; T2660-R2673 HydrophobicContact CG2-CG 4.21Å; T2669-R2673 WeakPolarHBondContact O-CB 3.45Å; T2669-R2673 PolarHBondContact O-N 3.2Å; L2670-R2673 PolarHBondContact O-N 3.24Å; R2673-L2675 VanDerWaalsContact C-N 3.33Å; R2673-L2675 PolarHBondContact O-N 3.34Å; R2673-W2676 PolarHBondContact O-N 3.11Å; R2673-L2677 HydrophobicContact CG-CD1 4.13Å; R2673-L2677 HydrophobicContact CG-CG 4.43Å; R2673-L2677 WeakPolarHBondContact O-CB 3.36Å; R2673-L2677 VanDerWaalsContact O-CG 3.28Å; R2673-L2677 WeakPolarHBondContact O-CG 3.42Å; R2673-L2677 PolarHBondContact O-N 2.89Å |
| 2674 | R | 83.2 | Confident | 79.7 | Confident | 20.5 Ų | 20.5 | 40 Ų | 40 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 173.9 | -178.1 | 179.5 | -178 | 171.5 | 4.9 | 112.1 | Y2408 F2530 Y2532 S2534 L2670 P2671 V2672 F2678 | Y2408-R2674 HydrophobicContact CD2-CG 4.11Å; Y2408-R2674 VanDerWaalsContact CE1-NE 3.27Å; Y2408-R2674 HydrophobicContact CE2-CG 3.88Å; Y2408-R2674 VanDerWaalsContact CZ-CZ 3.49Å; Y2408-R2674 PolarHBondContact OH-NE 3.26Å; Y2408-R2674 PolarHBondContact OH-NH2 2.87Å; Y2408-R2674 VanDerWaalsContact OH-NH2 3.13Å; F2530-R2674 HydrophobicContact CD1-CG 3.92Å; F2530-R2674 HydrophobicContact CE1-CG 4.46Å; F2530-R2674 HydrophobicContact CG-CG 4.34Å; Y2532-R2674 PolarHBondContact O-NH1 3.33Å; S2534-R2674 PolarHBondContact OG-NH1 2.85Å; S2534-R2674 VanDerWaalsContact OG-NH1 3.15Å; L2670-R2674 WeakPolarHBondContact O-CB 3.42Å; L2670-R2674 PolarHBondContact O-N 3.43Å; P2671-R2674 PolarHBondContact O-N 2.91Å; V2672-R2674 VanDerWaalsContact C-N 3.33Å; V2672-R2674 PolarHBondContact O-N 2.87Å; R2674-F2678 WeakPolarHBondContact O-CB 3.37Å; R2674-F2678 PolarHBondContact O-N 3.18Å |
| 2675 | L | 85.9 | Confident | 80.7 | Confident | 1.5 Ų | 1.5 | 36.9 Ų | 36.9 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.3 | -179.5 | 101.6 | 0 | 0 | 0 | 112 | L2407 Y2408 L2571 L2575 P2671 V2672 R2673 F2678 L2679 | L2407-L2675 HydrophobicContact CB-CD1 3.55Å; L2407-L2675 HydrophobicContact CB-CD2 4.1Å; Y2408-L2675 HydrophobicContact CD2-CD1 4.46Å; L2571-L2675 HydrophobicContact CD1-CD2 4.01Å; L2571-L2675 HydrophobicContact CD2-CD2 3.53Å; L2571-L2675 HydrophobicContact CG-CD2 4.25Å; L2575-L2675 HydrophobicContact CD1-CD2 4.45Å; L2575-L2675 HydrophobicContact CD2-CD1 4.22Å; P2671-L2675 PolarHBondContact O-N 3.33Å; P2671-L2675 VanDerWaalsContact O-N 3.12Å; V2672-L2675 WeakPolarHBondContact O-CB 3.11Å; V2672-L2675 PolarHBondContact O-N 3.12Å; R2673-L2675 VanDerWaalsContact C-N 3.33Å; R2673-L2675 PolarHBondContact O-N 3.34Å; L2675-F2678 PolarHBondContact O-N 2.93Å; L2675-L2679 HydrophobicContact CD1-CD1 4.14Å; L2675-L2679 HydrophobicContact CD1-CG 4.37Å; L2675-L2679 HydrophobicContact CD2-CD1 3.62Å; L2675-L2679 HydrophobicContact CG-CD1 4.14Å; L2675-L2679 WeakPolarHBondContact O-CG 3.44Å; L2675-L2679 PolarHBondContact O-N 3.22Å; L2675-L2679 VanDerWaalsContact O-N 3.07Å |
| 2676 | W | 86.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -52.7 | 176.3 | -179.7 | -83.1 | 0 | 0 | 0 | 111.6 | A2567 I2570 L2571 F2633 T2660 P2661 F2662 V2672 R2673 F2678 L2679 V2680 F2689 I2693 | A2567-W2676 HydrophobicContact CB-CZ3 4.49Å; I2570-W2676 HydrophobicContact CB-CZ3 4.39Å; I2570-W2676 HydrophobicContact CD1-CH2 4.33Å; I2570-W2676 HydrophobicContact CG2-CH2 4.13Å; I2570-W2676 HydrophobicContact CG2-CZ3 4.16Å; L2571-W2676 HydrophobicContact CD1-CE3 4.29Å; L2571-W2676 HydrophobicContact CD2-CB 4.35Å; L2571-W2676 HydrophobicContact CD2-CD2 4.39Å; L2571-W2676 HydrophobicContact CD2-CE3 3.57Å; L2571-W2676 VanDerWaalsContact CD2-CE3 3.47Å; L2571-W2676 HydrophobicContact CD2-CZ3 4.24Å; L2571-W2676 HydrophobicContact CG-CE3 3.79Å; L2571-W2676 HydrophobicContact CG-CZ3 4.16Å; F2633-W2676 AromaticContact CE1-CH2 3.85Å; F2633-W2676 HydrophobicContact CE1-CH2 3.85Å; F2633-W2676 HydrophobicContact CE1-CZ2 4.33Å; F2633-W2676 HydrophobicContact CZ-CH2 4.04Å; T2660-W2676 HydrophobicContact CG2-CG 4.48Å; P2661-W2676 HydrophobicContact CG-CD2 4.16Å; P2661-W2676 HydrophobicContact CG-CE3 4Å; P2661-W2676 HydrophobicContact CG-CH2 3.95Å; P2661-W2676 HydrophobicContact CG-CZ2 4.06Å; P2661-W2676 HydrophobicContact CG-CZ3 3.91Å; F2662-W2676 HydrophobicContact CE2-CB 4.24Å; F2662-W2676 HydrophobicContact CE2-CD2 4.38Å; F2662-W2676 HydrophobicContact CE2-CE3 4.03Å; F2662-W2676 HydrophobicContact CE2-CG 4.48Å; V2672-W2676 WeakPolarHBondContact O-CB 3.34Å; V2672-W2676 PolarHBondContact O-N 3.38Å; R2673-W2676 PolarHBondContact O-N 3.11Å; W2676-F2678 VanDerWaalsContact C-N 3.27Å; W2676-F2678 PolarHBondContact O-N 2.86Å; W2676-L2679 PolarHBondContact O-N 3.05Å; W2676-L2679 VanDerWaalsContact O-N 3.16Å; W2676-V2680 HydrophobicContact CG-CG2 4.47Å; W2676-V2680 WeakPolarHBondContact O-CG2 3.32Å; W2676-V2680 PolarHBondContact O-N 3.26Å; W2676-F2689 HydrophobicContact CD2-CE1 4.36Å; W2676-F2689 HydrophobicContact CE3-CE1 4.35Å; W2676-F2689 HydrophobicContact CH2-CD1 4.05Å; W2676-F2689 AromaticContact CH2-CE1 3.85Å; W2676-F2689 HydrophobicContact CH2-CE1 3.85Å; W2676-F2689 AromaticContact CZ2-CD1 3.99Å; W2676-F2689 HydrophobicContact CZ2-CD1 4.02Å; W2676-F2689 AromaticContact CZ2-CE1 3.96Å; W2676-F2689 HydrophobicContact CZ2-CE1 3.96Å; W2676-F2689 HydrophobicContact CZ3-CE1 4.06Å; W2676-I2693 HydrophobicContact CZ2-CD1 4.27Å |
| 2677 | L | 84.3 | Confident | 81.8 | Confident | 9.5 Ų | 9.5 | 35.1 Ų | 35.1 | 5% | 0.05 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -37.3 | 179.9 | -70.1 | 172.5 | 0 | 0 | 0 | 112 | F2530 P2657 T2660 R2673 R2681 | F2530-L2677 HydrophobicContact CD1-CB 4.34Å; F2530-L2677 HydrophobicContact CE1-CB 3.79Å; P2657-L2677 HydrophobicContact CB-CD2 4.45Å; T2660-L2677 HydrophobicContact CG2-CD2 3.86Å; T2660-L2677 HydrophobicContact CG2-CG 4.25Å; R2673-L2677 HydrophobicContact CG-CD1 4.13Å; R2673-L2677 HydrophobicContact CG-CG 4.43Å; R2673-L2677 WeakPolarHBondContact O-CB 3.36Å; R2673-L2677 VanDerWaalsContact O-CG 3.28Å; R2673-L2677 WeakPolarHBondContact O-CG 3.42Å; R2673-L2677 PolarHBondContact O-N 2.89Å; L2677-R2681 WeakPolarHBondContact O-CD 3.42Å; L2677-R2681 VanDerWaalsContact O-CG 3.27Å; L2677-R2681 WeakPolarHBondContact O-CG 3.22Å |
| 2678 | F | 85.1 | Confident | 82.2 | Confident | 10.5 Ų | 10.5 | 30 Ų | 30 | 5% | 0.046 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.2 | 179 | -88.9 | 0 | 0 | 0 | 112.4 | Y2408 V2411 A2412 L2522 F2530 R2674 L2675 W2676 R2681 Q2682 | Y2408-F2678 HydrophobicContact CD2-CB 4.19Å; Y2408-F2678 HydrophobicContact CD2-CG 4.37Å; Y2408-F2678 HydrophobicContact CE2-CB 3.88Å; Y2408-F2678 HydrophobicContact CE2-CD2 4.02Å; Y2408-F2678 AromaticContact CE2-CG 3.98Å; Y2408-F2678 HydrophobicContact CE2-CG 3.98Å; V2411-F2678 HydrophobicContact CG1-CD1 3.82Å; V2411-F2678 HydrophobicContact CG1-CE1 3.41Å; V2411-F2678 VanDerWaalsContact CG1-CE1 3.46Å; V2411-F2678 HydrophobicContact CG1-CZ 4.45Å; A2412-F2678 VanDerWaalsContact CA-CZ 3.46Å; A2412-F2678 HydrophobicContact CB-CD2 4.14Å; A2412-F2678 HydrophobicContact CB-CE1 4.32Å; A2412-F2678 HydrophobicContact CB-CE2 3.75Å; A2412-F2678 HydrophobicContact CB-CZ 3.87Å; L2522-F2678 HydrophobicContact CD1-CD2 4.04Å; L2522-F2678 HydrophobicContact CD1-CE2 4.09Å; L2522-F2678 HydrophobicContact CD2-CE2 4.21Å; F2530-F2678 HydrophobicContact CE1-CB 4.34Å; F2530-F2678 HydrophobicContact CZ-CB 4.36Å; F2530-F2678 HydrophobicContact CZ-CD2 4.44Å; R2674-F2678 WeakPolarHBondContact O-CB 3.37Å; R2674-F2678 PolarHBondContact O-N 3.18Å; L2675-F2678 PolarHBondContact O-N 2.93Å; W2676-F2678 VanDerWaalsContact C-N 3.27Å; W2676-F2678 PolarHBondContact O-N 2.86Å; F2678-R2681 PolarHBondContact O-N 3.35Å; F2678-Q2682 HydrophobicContact CE1-CG 4.19Å; F2678-Q2682 VanDerWaalsContact CE1-NE2 3.31Å |
| 2679 | L | 86.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.8 | -39.7 | -176.6 | -71 | 170.4 | 0 | 0 | 0 | 112.6 | V2411 L2571 A2574 L2575 Q2578 L2675 W2676 R2681 Q2682 L2685 F2689 | V2411-L2679 HydrophobicContact CG1-CD2 3.94Å; L2571-L2679 HydrophobicContact CD2-CD1 3.69Å; A2574-L2679 HydrophobicContact CB-CD1 4.17Å; L2575-L2679 HydrophobicContact CD2-CD1 4.02Å; L2575-L2679 HydrophobicContact CD2-CD2 4.34Å; L2575-L2679 HydrophobicContact CG-CD1 4.07Å; Q2578-L2679 HydrophobicContact CB-CD2 4.28Å; Q2578-L2679 HydrophobicContact CG-CD2 4.22Å; L2675-L2679 HydrophobicContact CD1-CD1 4.14Å; L2675-L2679 HydrophobicContact CD1-CG 4.37Å; L2675-L2679 HydrophobicContact CD2-CD1 3.62Å; L2675-L2679 HydrophobicContact CG-CD1 4.14Å; L2675-L2679 WeakPolarHBondContact O-CG 3.44Å; L2675-L2679 PolarHBondContact O-N 3.22Å; L2675-L2679 VanDerWaalsContact O-N 3.07Å; W2676-L2679 PolarHBondContact O-N 3.05Å; W2676-L2679 VanDerWaalsContact O-N 3.16Å; L2679-R2681 PolarHBondContact O-N 2.78Å; L2679-Q2682 WeakPolarHBondContact O-CB 3.36Å; L2679-Q2682 PolarHBondContact O-N 3.36Å; L2679-Q2682 VanDerWaalsContact O-N 3.1Å; L2679-L2685 HydrophobicContact CB-CD1 4.26Å; L2679-L2685 HydrophobicContact CD2-CD1 3.66Å; L2679-F2689 HydrophobicContact CB-CE2 4.08Å; L2679-F2689 HydrophobicContact CB-CZ 3.83Å |
| 2680 | V | 84 | Confident | 82.6 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -32.9 | 178.3 | 167 | 0 | 0 | 0 | 0 | 112 | I2654 L2655 W2676 Q2682 F2689 | I2654-V2680 HydrophobicContact CB-CG1 4.14Å; I2654-V2680 HydrophobicContact CG2-CB 4.29Å; I2654-V2680 HydrophobicContact CG2-CG1 3.42Å; I2654-V2680 VanDerWaalsContact CG2-CG1 3.42Å; I2654-V2680 HydrophobicContact CG2-CG2 3.81Å; L2655-V2680 HydrophobicContact CD2-CG1 3.99Å; W2676-V2680 HydrophobicContact CG-CG2 4.47Å; W2676-V2680 WeakPolarHBondContact O-CG2 3.32Å; W2676-V2680 PolarHBondContact O-N 3.26Å; V2680-Q2682 VanDerWaalsContact C-N 3.27Å; V2680-Q2682 PolarHBondContact O-N 3.06Å; V2680-F2689 HydrophobicContact CB-CE2 4.49Å; V2680-F2689 HydrophobicContact CG2-CD1 3.95Å; V2680-F2689 HydrophobicContact CG2-CD2 4.17Å; V2680-F2689 HydrophobicContact CG2-CE1 3.79Å; V2680-F2689 HydrophobicContact CG2-CE2 4.02Å; V2680-F2689 HydrophobicContact CG2-CG 4.14Å; V2680-F2689 HydrophobicContact CG2-CZ 3.83Å |
| 2681 | R | 83.9 | Confident | 82.3 | Confident | 68 Ų | 68 | 29.6 Ų | 29.6 | 26% | 0.257 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.2 | 179.6 | -69.4 | 171.5 | -176.1 | -165.1 | -8.1 | 113.7 | E2529 L2655 L2677 F2678 L2679 E2683 | E2529-R2681 IonicContact OE2-CZ 2.89Å; E2529-R2681 IonicContact OE2-NH1 2.99Å; E2529-R2681 PolarHBondContact OE2-NH1 2.97Å; E2529-R2681 IonicContact OE2-NH2 2.72Å; E2529-R2681 PolarHBondContact OE2-NH2 2.87Å; L2655-R2681 HydrophobicContact CD2-CG 4.04Å; L2677-R2681 WeakPolarHBondContact O-CD 3.42Å; L2677-R2681 VanDerWaalsContact O-CG 3.27Å; L2677-R2681 WeakPolarHBondContact O-CG 3.22Å; F2678-R2681 PolarHBondContact O-N 3.35Å; L2679-R2681 PolarHBondContact O-N 2.78Å; R2681-E2683 PolarHBondContact O-N 3.14Å |
| 2682 | Q | 83.7 | Confident | 82.1 | Confident | 39 Ų | 39 | 29.5 Ų | 29.5 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | trans | -80.1 | 116.2 | 177.8 | -60.7 | -60.9 | -32.2 | 0 | 0 | 110.4 | F2678 L2679 V2680 H2684 L2685 M2686 | F2678-Q2682 HydrophobicContact CE1-CG 4.19Å; F2678-Q2682 VanDerWaalsContact CE1-NE2 3.31Å; L2679-Q2682 WeakPolarHBondContact O-CB 3.36Å; L2679-Q2682 PolarHBondContact O-N 3.36Å; L2679-Q2682 VanDerWaalsContact O-N 3.1Å; V2680-Q2682 VanDerWaalsContact C-N 3.27Å; V2680-Q2682 PolarHBondContact O-N 3.06Å; Q2682-H2684 VanDerWaalsContact C-N 3.26Å; Q2682-H2684 PolarHBondContact O-N 2.94Å; Q2682-H2684 VanDerWaalsContact O-N 3.16Å; Q2682-L2685 HydrophobicContact CB-CB 4.3Å; Q2682-L2685 HydrophobicContact CB-CD1 3.92Å; Q2682-L2685 HydrophobicContact CB-CG 4.02Å; Q2682-L2685 HydrophobicContact CG-CD1 4.29Å; Q2682-L2685 PolarHBondContact O-N 3.16Å; Q2682-M2686 WeakPolarHBondContact O-CG 3.35Å; Q2682-M2686 PolarHBondContact O-N 3.39Å | ||
| 2683 | E | 80.1 | Confident | 81.7 | Confident | 171 Ų | 171 | 30 Ų | 30 | 80% | 0.799 | 14% | 0.135 | S | C | * | . | G | 310 helix | trans | -54.5 | -39.2 | -174.4 | -63.6 | -175.2 | 167.4 | 0 | 0 | 113.6 | R2681 L2685 M2686 | R2681-E2683 PolarHBondContact O-N 3.14Å; E2683-L2685 VanDerWaalsContact C-N 3.25Å; E2683-L2685 PolarHBondContact O-N 3.19Å; E2683-M2686 PolarHBondContact O-N 3.02Å |
| 2684 | H | 81 | Confident | 81.1 | Confident | 52 Ų | 52 | 29.2 Ų | 29.2 | 24% | 0.241 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -78.1 | -3 | -178.3 | 64.3 | -79.3 | 0 | 0 | 0 | 114.6 | Q2578 Y2581 Q2682 | Q2578-H2684 PolarHBondContact OE1-CE1 3.23Å; Q2578-H2684 PolarHBondContact OE1-NE2 3.28Å; Y2581-H2684 AromaticContact CD1-CD2 3.99Å; Y2581-H2684 AromaticContact CD1-CE1 3.6Å; Y2581-H2684 WeakPolarHBondContact CD1-CE1 3.34Å; Y2581-H2684 AromaticContact CD1-ND1 3.96Å; Y2581-H2684 AromaticContact CD1-NE2 3.62Å; Y2581-H2684 WeakPolarHBondContact CD1-NE2 3.44Å; Y2581-H2684 AromaticContact CE1-CE1 3.63Å; Y2581-H2684 AromaticContact CE1-ND1 3.88Å; Y2581-H2684 AromaticContact CG-CD2 3.85Å; Y2581-H2684 AromaticContact CG-CE1 3.93Å; Y2581-H2684 AromaticContact CG-NE2 3.63Å; Q2682-H2684 VanDerWaalsContact C-N 3.26Å; Q2682-H2684 PolarHBondContact O-N 2.94Å; Q2682-H2684 VanDerWaalsContact O-N 3.16Å |
| 2685 | L | 84.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -109.5 | -12 | 173.9 | -58 | -179.2 | 0 | 0 | 0 | 112.6 | A2574 R2577 Q2578 L2679 Q2682 E2683 D2687 V2688 F2689 | A2574-L2685 HydrophobicContact CB-CD1 4.31Å; R2577-L2685 HydrophobicContact CB-CD2 3.7Å; R2577-L2685 HydrophobicContact CG-CD2 3.87Å; Q2578-L2685 HydrophobicContact CB-CD1 4.05Å; Q2578-L2685 HydrophobicContact CB-CD2 4.45Å; Q2578-L2685 HydrophobicContact CG-CD1 4.45Å; L2679-L2685 HydrophobicContact CB-CD1 4.26Å; L2679-L2685 HydrophobicContact CD2-CD1 3.66Å; Q2682-L2685 HydrophobicContact CB-CB 4.3Å; Q2682-L2685 HydrophobicContact CB-CD1 3.92Å; Q2682-L2685 HydrophobicContact CB-CG 4.02Å; Q2682-L2685 HydrophobicContact CG-CD1 4.29Å; Q2682-L2685 PolarHBondContact O-N 3.16Å; E2683-L2685 VanDerWaalsContact C-N 3.25Å; E2683-L2685 PolarHBondContact O-N 3.19Å; L2685-D2687 PolarHBondContact O-N 3.08Å; L2685-V2688 VanDerWaalsContact O-CB 3.29Å; L2685-V2688 WeakPolarHBondContact O-CB 3.36Å; L2685-V2688 PolarHBondContact O-N 3.4Å; L2685-F2689 HydrophobicContact CB-CD2 4.36Å; L2685-F2689 HydrophobicContact CB-CE2 4.1Å; L2685-F2689 VanDerWaalsContact O-CD2 3.29Å; L2685-F2689 WeakPolarHBondContact O-CD2 3.4Å; L2685-F2689 PolarHBondContact O-N 3.01Å |
| 2686 | M | 80.8 | Confident | 79 | Confident | 51.5 Ų | 51.5 | 34.2 Ų | 34.2 | 25% | 0.254 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.4 | -31 | -177.9 | -68 | 176.6 | 69.4 | 0 | 0 | 111.9 | F2651 L2655 Q2682 E2683 V2688 F2689 I2690 | F2651-M2686 HydrophobicContact CB-CE 4.04Å; F2651-M2686 HydrophobicContact CD1-CB 4.23Å; F2651-M2686 HydrophobicContact CD1-CE 3.07Å; F2651-M2686 HydrophobicContact CD1-SD 4.45Å; F2651-M2686 HydrophobicContact CE1-CB 3.78Å; F2651-M2686 HydrophobicContact CE1-CE 3.56Å; F2651-M2686 HydrophobicContact CE1-SD 4.46Å; F2651-M2686 HydrophobicContact CG-CE 3.76Å; L2655-M2686 HydrophobicContact CD1-CE 4.42Å; Q2682-M2686 WeakPolarHBondContact O-CG 3.35Å; Q2682-M2686 PolarHBondContact O-N 3.39Å; E2683-M2686 PolarHBondContact O-N 3.02Å; M2686-V2688 VanDerWaalsContact C-N 3.34Å; M2686-V2688 PolarHBondContact O-N 3.4Å; M2686-F2689 PolarHBondContact O-N 3.1Å; M2686-I2690 WeakPolarHBondContact O-CB 3.35Å; M2686-I2690 WeakPolarHBondContact O-CD1 3.32Å; M2686-I2690 WeakPolarHBondContact O-CG1 3.43Å; M2686-I2690 PolarHBondContact O-N 3.19Å |
| 2687 | D | 75.9 | Confident | 77.3 | Confident | 38.5 Ų | 38.5 | 39.3 Ų | 39.3 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 173.7 | 69.2 | -36.9 | 0 | 0 | 0 | 112.3 | R2577 L2685 R2691 L2773 | R2577-D2687 IonicContact CZ-OD2 3.69Å; R2577-D2687 IonicContact NE-OD2 3.05Å; R2577-D2687 IonicContact NH1-OD1 2.75Å; R2577-D2687 IonicContact NH1-OD2 3.12Å; R2577-D2687 PolarHBondContact NH1-OD2 2.88Å; R2577-D2687 IonicContact NH2-OD2 2.69Å; R2577-D2687 PolarHBondContact NH2-OD2 3.05Å; L2685-D2687 PolarHBondContact O-N 3.08Å; D2687-R2691 WeakPolarHBondContact O-CB 3.42Å; D2687-R2691 VanDerWaalsContact O-CG 3.25Å; D2687-R2691 WeakPolarHBondContact O-CG 3.36Å; D2687-R2691 PolarHBondContact O-N 2.99Å; D2687-R2691 IonicContact OD2-NH2 3.48Å; D2687-L2773 HydrophobicContact CB-CD2 3.97Å |
| 2688 | V | 80.9 | Confident | 75.4 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -54.5 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | L2573 L2685 M2686 I2690 R2691 C2692 | L2573-V2688 HydrophobicContact CD2-CG1 3.53Å; L2573-V2688 HydrophobicContact CG-CG1 3.93Å; L2685-V2688 VanDerWaalsContact O-CB 3.29Å; L2685-V2688 WeakPolarHBondContact O-CB 3.36Å; L2685-V2688 PolarHBondContact O-N 3.4Å; M2686-V2688 VanDerWaalsContact C-N 3.34Å; M2686-V2688 PolarHBondContact O-N 3.4Å; V2688-I2690 VanDerWaalsContact C-N 3.34Å; V2688-I2690 PolarHBondContact O-N 2.85Å; V2688-R2691 PolarHBondContact O-N 3.06Å; V2688-R2691 VanDerWaalsContact O-N 3.16Å; V2688-C2692 WeakPolarHBondContact O-CB 3.37Å; V2688-C2692 PolarHBondContact O-N 3.16Å; V2688-C2692 PolarHBondContact O-SG 3.04Å |
| 2689 | F | 83.1 | Confident | 73.3 | Confident | 1.5 Ų | 1.5 | 47 Ų | 47 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | -177 | -70.6 | -77.5 | 0 | 0 | 0 | 112.1 | I2570 A2574 I2654 W2676 L2679 V2680 L2685 M2686 C2692 I2693 | I2570-F2689 HydrophobicContact CG2-CD1 3.75Å; I2570-F2689 HydrophobicContact CG2-CE1 3.61Å; I2570-F2689 HydrophobicContact CG2-CZ 4.4Å; A2574-F2689 HydrophobicContact CB-CE2 4.14Å; A2574-F2689 HydrophobicContact CB-CZ 3.9Å; I2654-F2689 HydrophobicContact CD1-CB 4.22Å; I2654-F2689 HydrophobicContact CG2-CB 4.46Å; W2676-F2689 HydrophobicContact CD2-CE1 4.36Å; W2676-F2689 HydrophobicContact CE3-CE1 4.35Å; W2676-F2689 HydrophobicContact CH2-CD1 4.05Å; W2676-F2689 AromaticContact CH2-CE1 3.85Å; W2676-F2689 HydrophobicContact CH2-CE1 3.85Å; W2676-F2689 AromaticContact CZ2-CD1 3.99Å; W2676-F2689 HydrophobicContact CZ2-CD1 4.02Å; W2676-F2689 AromaticContact CZ2-CE1 3.96Å; W2676-F2689 HydrophobicContact CZ2-CE1 3.96Å; W2676-F2689 HydrophobicContact CZ3-CE1 4.06Å; L2679-F2689 HydrophobicContact CB-CE2 4.08Å; L2679-F2689 HydrophobicContact CB-CZ 3.83Å; V2680-F2689 HydrophobicContact CB-CE2 4.49Å; V2680-F2689 HydrophobicContact CG2-CD1 3.95Å; V2680-F2689 HydrophobicContact CG2-CD2 4.17Å; V2680-F2689 HydrophobicContact CG2-CE1 3.79Å; V2680-F2689 HydrophobicContact CG2-CE2 4.02Å; V2680-F2689 HydrophobicContact CG2-CG 4.14Å; V2680-F2689 HydrophobicContact CG2-CZ 3.83Å; L2685-F2689 HydrophobicContact CB-CD2 4.36Å; L2685-F2689 HydrophobicContact CB-CE2 4.1Å; L2685-F2689 VanDerWaalsContact O-CD2 3.29Å; L2685-F2689 WeakPolarHBondContact O-CD2 3.4Å; L2685-F2689 PolarHBondContact O-N 3.01Å; M2686-F2689 PolarHBondContact O-N 3.1Å; F2689-C2692 PolarHBondContact O-N 3.09Å; F2689-I2693 HydrophobicContact CB-CD1 4.25Å; F2689-I2693 HydrophobicContact CD1-CD1 4.38Å; F2689-I2693 VanDerWaalsContact O-CB 3.29Å; F2689-I2693 WeakPolarHBondContact O-CB 3.44Å; F2689-I2693 WeakPolarHBondContact O-CD1 3.37Å; F2689-I2693 WeakPolarHBondContact O-CG1 3.23Å; F2689-I2693 PolarHBondContact O-N 2.99Å |
| 2690 | I | 76 | Confident | 71.1 | Confident | 8.5 Ų | 8.5 | 53.1 Ų | 53.1 | 4% | 0.044 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 176.7 | -69.6 | 169.7 | 0 | 0 | 0 | 110.9 | F2651 I2654 M2686 V2688 C2692 I2693 F2694 L2773 | F2651-I2690 HydrophobicContact CB-CD1 4.25Å; F2651-I2690 HydrophobicContact CB-CG1 4.36Å; F2651-I2690 HydrophobicContact CD1-CD1 3.81Å; F2651-I2690 HydrophobicContact CD1-CG1 4.1Å; F2651-I2690 HydrophobicContact CD1-CG2 4.08Å; F2651-I2690 HydrophobicContact CD2-CD1 4.09Å; F2651-I2690 HydrophobicContact CD2-CG1 4.33Å; F2651-I2690 HydrophobicContact CE1-CD1 3Å; F2651-I2690 HydrophobicContact CE1-CG1 4.24Å; F2651-I2690 HydrophobicContact CE1-CG2 3.58Å; F2651-I2690 HydrophobicContact CE2-CD1 4.12Å; F2651-I2690 HydrophobicContact CE2-CG2 4.28Å; F2651-I2690 HydrophobicContact CG-CD1 3.97Å; F2651-I2690 HydrophobicContact CG-CG1 3.94Å; F2651-I2690 HydrophobicContact CZ-CD1 3.39Å; F2651-I2690 HydrophobicContact CZ-CG2 3.7Å; I2654-I2690 HydrophobicContact CD1-CG1 4.1Å; M2686-I2690 WeakPolarHBondContact O-CB 3.35Å; M2686-I2690 WeakPolarHBondContact O-CD1 3.32Å; M2686-I2690 WeakPolarHBondContact O-CG1 3.43Å; M2686-I2690 PolarHBondContact O-N 3.19Å; V2688-I2690 VanDerWaalsContact C-N 3.34Å; V2688-I2690 PolarHBondContact O-N 2.85Å; I2690-C2692 VanDerWaalsContact C-N 3.31Å; I2690-C2692 PolarHBondContact O-N 3.2Å; I2690-I2693 PolarHBondContact O-N 3.34Å; I2690-F2694 HydrophobicContact CG2-CD2 4.41Å; I2690-F2694 WeakPolarHBondContact O-CB 3.41Å; I2690-F2694 PolarHBondContact O-N 3.01Å; I2690-L2773 HydrophobicContact CB-CD1 4.12Å; I2690-L2773 HydrophobicContact CD1-CD2 4.47Å; I2690-L2773 HydrophobicContact CG2-CD1 3.83Å; I2690-L2773 HydrophobicContact CG2-CD2 4.4Å; I2690-L2773 HydrophobicContact CG2-CG 4.45Å |
| 2691 | R | 74.5 | Confident | 68.8 | Low | 88.5 Ų | 88.5 | 61.7 Ų | 61.7 | 33% | 0.334 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 180 | -123.4 | -179.5 | -126.6 | 159.7 | 4 | 112.3 | D2687 V2688 K2695 E2770 L2773 | D2687-R2691 WeakPolarHBondContact O-CB 3.42Å; D2687-R2691 VanDerWaalsContact O-CG 3.25Å; D2687-R2691 WeakPolarHBondContact O-CG 3.36Å; D2687-R2691 PolarHBondContact O-N 2.99Å; D2687-R2691 IonicContact OD2-NH2 3.48Å; V2688-R2691 PolarHBondContact O-N 3.06Å; V2688-R2691 VanDerWaalsContact O-N 3.16Å; R2691-K2695 WeakPolarHBondContact O-CB 3.34Å; R2691-E2770 WeakPolarHBondContact CG-OE1 2.94Å; R2691-E2770 IonicContact CZ-OE1 2.7Å; R2691-E2770 IonicContact CZ-OE2 3.72Å; R2691-E2770 IonicContact NE-OE1 3.4Å; R2691-E2770 PolarHBondContact NE-OE1 3.42Å; R2691-E2770 IonicContact NE-OE2 3.58Å; R2691-E2770 PolarHBondContact NE-OE2 3.24Å; R2691-E2770 IonicContact NH2-OE1 2.81Å; R2691-E2770 IonicContact NH2-OE2 2.97Å; R2691-E2770 PolarHBondContact NH2-OE2 2.87Å; R2691-L2773 HydrophobicContact CB-CD1 4.34Å; R2691-L2773 HydrophobicContact CG-CD1 3.77Å |
| 2692 | C | 76 | Confident | 66.4 | Low | 8.5 Ų | 8.5 | 65.6 Ų | 65.6 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.5 | -35.2 | -177.4 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | Y2566 I2570 L2622 V2688 F2689 I2690 | Y2566-C2692 PolarHBondContact OH-O 3.11Å; Y2566-C2692 VanDerWaalsContact OH-O 3.04Å; I2570-C2692 HydrophobicContact CD1-CB 3.74Å; I2570-C2692 HydrophobicContact CG1-CB 3.87Å; L2622-C2692 HydrophobicContact CD2-CB 3.89Å; L2622-C2692 WeakPolarHBondContact CD2-SG 3.35Å; V2688-C2692 WeakPolarHBondContact O-CB 3.37Å; V2688-C2692 PolarHBondContact O-N 3.16Å; V2688-C2692 PolarHBondContact O-SG 3.04Å; F2689-C2692 PolarHBondContact O-N 3.09Å; I2690-C2692 VanDerWaalsContact C-N 3.31Å; I2690-C2692 PolarHBondContact O-N 3.2Å |
| 2693 | I | 75.3 | Confident | 64.2 | Low | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -90.8 | -39.8 | -171.3 | -62.3 | 169 | 0 | 0 | 0 | 112 | F2633 L2634 I2654 W2676 F2689 I2690 | F2633-I2693 HydrophobicContact CD1-CG1 4.31Å; F2633-I2693 HydrophobicContact CE1-CD1 4.48Å; F2633-I2693 HydrophobicContact CE1-CG1 4.28Å; L2634-I2693 HydrophobicContact CD1-CD1 4.14Å; L2634-I2693 HydrophobicContact CD1-CG2 3.91Å; L2634-I2693 HydrophobicContact CG-CG2 4.35Å; I2654-I2693 HydrophobicContact CD1-CD1 4.22Å; I2654-I2693 HydrophobicContact CG1-CD1 4.42Å; I2654-I2693 HydrophobicContact CG2-CD1 4.39Å; W2676-I2693 HydrophobicContact CZ2-CD1 4.27Å; F2689-I2693 HydrophobicContact CB-CD1 4.25Å; F2689-I2693 HydrophobicContact CD1-CD1 4.38Å; F2689-I2693 VanDerWaalsContact O-CB 3.29Å; F2689-I2693 WeakPolarHBondContact O-CB 3.44Å; F2689-I2693 WeakPolarHBondContact O-CD1 3.37Å; F2689-I2693 WeakPolarHBondContact O-CG1 3.23Å; F2689-I2693 PolarHBondContact O-N 2.99Å; I2690-I2693 PolarHBondContact O-N 3.34Å |
| 2694 | F | 70.9 | Confident | 62 | Low | 15.5 Ų | 15.5 | 67.8 Ų | 67.8 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -106.2 | -2.8 | -170.2 | -65.8 | -70.2 | 0 | 0 | 0 | 115.1 | A2640 R2650 F2651 I2654 I2690 S2696 T2769 | A2640-F2694 HydrophobicContact CB-CE1 3.94Å; A2640-F2694 HydrophobicContact CB-CZ 4Å; R2650-F2694 HydrophobicContact CB-CD2 3.95Å; R2650-F2694 HydrophobicContact CB-CE2 3.61Å; R2650-F2694 HydrophobicContact CB-CZ 4.14Å; R2650-F2694 HydrophobicContact CG-CD1 4.46Å; R2650-F2694 HydrophobicContact CG-CD2 3.99Å; R2650-F2694 HydrophobicContact CG-CE1 4.43Å; R2650-F2694 HydrophobicContact CG-CE2 3.91Å; R2650-F2694 HydrophobicContact CG-CG 4.26Å; R2650-F2694 HydrophobicContact CG-CZ 4.15Å; F2651-F2694 AromaticContact CD1-CD2 3.64Å; F2651-F2694 HydrophobicContact CD1-CD2 3.64Å; F2651-F2694 AromaticContact CD1-CE2 3.57Å; F2651-F2694 HydrophobicContact CD1-CE2 3.57Å; F2651-F2694 HydrophobicContact CD1-CG 4.4Å; F2651-F2694 HydrophobicContact CD1-CZ 4.3Å; F2651-F2694 HydrophobicContact CE1-CB 4.47Å; F2651-F2694 AromaticContact CE1-CD2 3.74Å; F2651-F2694 HydrophobicContact CE1-CD2 3.74Å; F2651-F2694 HydrophobicContact CE1-CE2 4.13Å; F2651-F2694 HydrophobicContact CE1-CG 4.13Å; I2654-F2694 HydrophobicContact CD1-CD2 4.37Å; I2654-F2694 HydrophobicContact CD1-CE2 3.68Å; I2654-F2694 HydrophobicContact CG1-CE2 3.87Å; I2654-F2694 HydrophobicContact CG1-CZ 4.39Å; I2690-F2694 HydrophobicContact CG2-CD2 4.41Å; I2690-F2694 WeakPolarHBondContact O-CB 3.41Å; I2690-F2694 PolarHBondContact O-N 3.01Å; F2694-S2696 PolarHBondContact O-N 3.2Å; F2694-T2769 HydrophobicContact CB-CG2 3.98Å; F2694-T2769 WeakPolarHBondContact O-CG2 3.48Å |
| 2695 | K | 67.1 | Low | 59.8 | Low | 73.5 Ų | 73.5 | 71.7 Ų | 71.7 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | trans | -55.8 | 128.2 | 178.5 | -162.5 | 174.3 | -177.4 | 179.6 | 0 | 110.4 | E2623 R2691 K2697 D2767 | E2623-K2695 IonicContact OE1-NZ 2.82Å; E2623-K2695 PolarHBondContact OE1-NZ 2.92Å; R2691-K2695 WeakPolarHBondContact O-CB 3.34Å; K2695-K2697 PolarHBondContact O-N 3.3Å; K2695-D2767 WeakPolarHBondContact CG-OD2 3.19Å | ||
| 2696 | S | 56.9 | Low | 57.4 | Low | 54 Ų | 54 | 75 Ų | 75 | 38% | 0.378 | 41% | 0.414 | S | S | . | . | trans | -75.4 | 129.2 | -173 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | F2694 N2698 D2767 | F2694-S2696 PolarHBondContact O-N 3.2Å; S2696-N2698 PolarHBondContact O-N 2.82Å; S2696-N2698 VanDerWaalsContact O-N 3.09Å; S2696-D2767 PolarHBondContact N-OD2 3.47Å | ||
| 2697 | K | 52.6 | Low | 55.1 | Low | 107.5 Ų | 107.5 | 77.7 Ų | 77.7 | 47% | 0.467 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -60.1 | -12.9 | 176.4 | -71.5 | -174.2 | 178.9 | 179.8 | 0 | 114.2 | C2629 E2631 K2695 A2699 V2700 | C2629-K2697 WeakPolarHBondContact O-CE 3.45Å; E2631-K2697 IonicContact OE1-NZ 3Å; E2631-K2697 PolarHBondContact OE1-NZ 3.03Å; K2695-K2697 PolarHBondContact O-N 3.3Å; K2697-A2699 PolarHBondContact O-N 3.37Å; K2697-A2699 VanDerWaalsContact O-N 3.08Å; K2697-V2700 PolarHBondContact O-N 2.69Å |
| 2698 | N | 43.6 | Very low | 53.1 | Low | 131 Ų | 131 | 81.1 Ų | 81.1 | 70% | 0.701 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -74.4 | -7.2 | -168.6 | -77.1 | -15.4 | 0 | 0 | 0 | 115.7 | S2696 V2700 | S2696-N2698 PolarHBondContact O-N 2.82Å; S2696-N2698 VanDerWaalsContact O-N 3.09Å; N2698-V2700 VanDerWaalsContact C-N 3.3Å; N2698-V2700 PolarHBondContact O-N 2.98Å |
| 2699 | A | 41.9 | Very low | 50.9 | Low | 50.5 Ų | 50.5 | 85.9 Ų | 85.9 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -71.8 | -22 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K2697 K2701 | K2697-A2699 PolarHBondContact O-N 3.37Å; K2697-A2699 VanDerWaalsContact O-N 3.08Å; A2699-K2701 PolarHBondContact O-N 3.01Å |
| 2700 | V | 40.4 | Very low | 48.5 | Very low | 128.5 Ų | 128.5 | 88.6 Ų | 88.6 | 78% | 0.779 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -86.7 | -4.6 | -170 | -174.5 | 0 | 0 | 0 | 0 | 114.1 | K2697 N2698 I2702 | K2697-V2700 PolarHBondContact O-N 2.69Å; N2698-V2700 VanDerWaalsContact C-N 3.3Å; N2698-V2700 PolarHBondContact O-N 2.98Å; V2700-I2702 VanDerWaalsContact C-N 3.32Å; V2700-I2702 PolarHBondContact O-N 2.97Å |
| 2701 | K | 34.3 | Very low | 46.4 | Very low | 185 Ų | 185 | 94 Ų | 94 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -90.5 | 4.8 | -177 | -80.3 | -170.2 | 177.9 | 179.4 | 0 | 116.8 | A2699 G2703 | A2699-K2701 PolarHBondContact O-N 3.01Å; K2701-G2703 PolarHBondContact O-N 3.16Å |
| 2702 | I | 35.2 | Very low | 44.6 | Very low | 150 Ų | 150 | 99 Ų | 99 | 77% | 0.769 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -86.8 | -3.1 | 178.3 | -56.3 | 177.7 | 0 | 0 | 0 | 112.4 | V2700 E2704 | V2700-I2702 VanDerWaalsContact C-N 3.32Å; V2700-I2702 PolarHBondContact O-N 2.97Å; I2702-E2704 PolarHBondContact O-N 3.35Å |
| 2703 | G | 36.3 | Very low | 42.6 | Very low | 68.5 Ų | 68.5 | 106.6 Ų | 106.6 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -12.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | K2701 V2705 | K2701-G2703 PolarHBondContact O-N 3.16Å; G2703-V2705 VanDerWaalsContact C-N 3.28Å; G2703-V2705 PolarHBondContact O-N 3.2Å |
| 2704 | E | 34.1 | Very low | 41 | Very low | 187 Ų | 187 | 112.5 Ų | 112.5 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -91.3 | 1.3 | -173.9 | -87.1 | -172.9 | 159.4 | 0 | 0 | 115.4 | I2702 | I2702-E2704 PolarHBondContact O-N 3.35Š|
| 2705 | V | 34.4 | Very low | 39.9 | Very low | 134.5 Ų | 134.5 | 115.3 Ų | 115.3 | 82% | 0.815 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -112.4 | 26.6 | 179.7 | -168.7 | 0 | 0 | 0 | 0 | 113 | G2703 | G2703-V2705 VanDerWaalsContact C-N 3.28Å; G2703-V2705 PolarHBondContact O-N 3.2Å |
| 2706 | A | 34.8 | Very low | 39.4 | Very low | 69.5 Ų | 69.5 | 117.8 Ų | 117.8 | 57% | 0.574 | 69% | 0.69 | S | S | * | * | trans | -139.5 | 39.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S2708 | A2706-S2708 PolarHBondContact O-N 3.25Š| ||
| 2707 | A | 32.9 | Very low | 39.5 | Very low | 108.5 Ų | 108.5 | 118.1 Ų | 118.1 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 29.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2708 | S | 33.8 | Very low | 40.1 | Very low | 110.5 Ų | 110.5 | 116.8 Ų | 116.8 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | 38.3 | -177.7 | 64.7 | 0 | 0 | 0 | 0 | 116.2 | A2706 | A2706-S2708 PolarHBondContact O-N 3.25Š|
| 2709 | S | 34.9 | Very low | 41.3 | Very low | 105.5 Ų | 105.5 | 115.9 Ų | 115.9 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -157.7 | 119.4 | 159 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 2710 | G | 32.1 | Very low | 42.6 | Very low | 59 Ų | 59 | 115.6 Ų | 115.6 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | trans | 10 | 153.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y2712 | G2710-Y2712 VanDerWaalsContact C-N 3.29Å; G2710-Y2712 PolarHBondContact O-N 3.21Å | ||
| 2711 | P | 32.7 | Very low | 44 | Very low | 121 Ų | 121 | 113.2 Ų | 113.2 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -81 | 37.6 | -166 | 35.4 | -36.2 | 0 | 0 | 0 | 113.8 | L2713 | P2711-L2713 PolarHBondContact O-N 3.32Š|
| 2712 | Y | 35.3 | Very low | 45.7 | Very low | 194.5 Ų | 194.5 | 105.5 Ų | 105.5 | 76% | 0.763 | 62% | 0.622 | S | S | * | * | trans | -125.9 | 80 | 168.3 | -61 | -72.4 | 0 | 0 | 0 | 108.5 | G2710 H2714 | G2710-Y2712 VanDerWaalsContact C-N 3.29Å; G2710-Y2712 PolarHBondContact O-N 3.21Å; Y2712-H2714 VanDerWaalsContact C-N 3.27Å; Y2712-H2714 PolarHBondContact O-N 2.73Å | ||
| 2713 | L | 34.3 | Very low | 47.1 | Very low | 167 Ų | 167 | 105.3 Ų | 105.3 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | trans | -62.1 | 96 | 166 | -92.7 | 144.5 | 0 | 0 | 0 | 107.8 | P2711 S2715 | P2711-L2713 PolarHBondContact O-N 3.32Å; L2713-S2715 PolarHBondContact O-N 3.47Å | ||
| 2714 | H | 42.2 | Very low | 48.5 | Very low | 142.5 Ų | 142.5 | 106 Ų | 106 | 66% | 0.66 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 114.5 | 171.7 | -70.5 | -53.8 | 0 | 0 | 0 | 107.9 | Y2712 E2716 | Y2712-H2714 VanDerWaalsContact C-N 3.27Å; Y2712-H2714 PolarHBondContact O-N 2.73Å; H2714-E2716 VanDerWaalsContact C-N 3.28Å; H2714-E2716 PolarHBondContact O-N 3.24Å; H2714-E2716 VanDerWaalsContact O-N 3.12Å |
| 2715 | S | 48 | Very low | 50.3 | Low | 72.5 Ų | 72.5 | 105.2 Ų | 105.2 | 51% | 0.507 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 109.8 | 166.5 | -170.7 | 0 | 0 | 0 | 0 | 108 | L2713 A2717 R3082 Q3083 | L2713-S2715 PolarHBondContact O-N 3.47Å; S2715-A2717 PolarHBondContact O-N 3.47Å; S2715-R3082 PolarHBondContact O-NH1 3.22Å; S2715-Q3083 WeakPolarHBondContact CB-O 3.21Å |
| 2716 | E | 55.5 | Low | 52.3 | Low | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.593 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133 | -178.9 | -68.2 | -173.1 | 159.2 | 0 | 0 | 109 | H2714 F2718 A2794 Q2795 | H2714-E2716 VanDerWaalsContact C-N 3.28Å; H2714-E2716 PolarHBondContact O-N 3.24Å; H2714-E2716 VanDerWaalsContact O-N 3.12Å; E2716-F2718 WeakPolarHBondContact O-CD2 3.43Å; E2716-F2718 PolarHBondContact O-N 2.91Å; E2716-A2794 HydrophobicContact CB-CB 4.06Å; E2716-A2794 HydrophobicContact CG-CB 4.19Å; E2716-Q2795 VanDerWaalsContact OE2-CG 3.31Å; E2716-Q2795 WeakPolarHBondContact OE2-CG 3.35Å |
| 2717 | A | 59.2 | Low | 54.6 | Low | 61 Ų | 61 | 99.3 Ų | 99.3 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 120.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | S2715 K2719 L3081 R3082 | S2715-A2717 PolarHBondContact O-N 3.47Å; A2717-K2719 PolarHBondContact O-N 3.39Å; A2717-L3081 CarbonylContact C-O 3.58Å; A2717-L3081 VanDerWaalsContact CA-O 3.24Å; A2717-L3081 WeakPolarHBondContact CA-O 3.49Å; A2717-R3082 HydrophobicContact CB-CG 3.5Å; A2717-R3082 VanDerWaalsContact CB-CG 3.5Å |
| 2718 | F | 66.1 | Low | 57.1 | Low | 80 Ų | 80 | 96.1 Ų | 96.1 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.3 | 172.1 | -70.1 | -81.8 | 0 | 0 | 0 | 110.2 | E2716 L2758 K3080 L3081 | E2716-F2718 WeakPolarHBondContact O-CD2 3.43Å; E2716-F2718 PolarHBondContact O-N 2.91Å; F2718-L2758 HydrophobicContact CB-CD2 4.3Å; F2718-L2758 HydrophobicContact CD2-CD2 3.84Å; F2718-L2758 HydrophobicContact CG-CD2 4.31Å; F2718-K3080 WeakPolarHBondContact O-CA 3.29Å; F2718-L3081 HydrophobicContact CB-CB 4.3Å; F2718-L3081 HydrophobicContact CB-CD2 4.32Å; F2718-L3081 HydrophobicContact CD2-CD2 4.12Å; F2718-L3081 PolarHBondContact N-O 3.39Å; F2718-L3081 PolarHBondContact O-N 3.04Å |
| 2719 | K | 68.4 | Low | 59.7 | Low | 112 Ų | 112 | 91.7 Ų | 91.7 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 108.2 | 176.6 | -169 | 178 | -176.6 | 178.2 | 0 | 110.5 | A2717 I2721 V2792 D3076 S3078 K3080 | A2717-K2719 PolarHBondContact O-N 3.39Å; K2719-I2721 HydrophobicContact CD-CD1 4.01Å; K2719-I2721 HydrophobicContact CD-CG1 4.09Å; K2719-I2721 HydrophobicContact CG-CD1 4.3Å; K2719-I2721 HydrophobicContact CG-CG1 3.87Å; K2719-V2792 HydrophobicContact CB-CB 4.5Å; K2719-V2792 PolarHBondContact N-O 3.38Å; K2719-V2792 PolarHBondContact O-N 2.89Å; K2719-D3076 WeakPolarHBondContact CE-OD2 3.29Å; K2719-D3076 IonicContact NZ-OD2 2.82Å; K2719-D3076 PolarHBondContact NZ-OD2 3.38Å; K2719-S3078 WeakPolarHBondContact CE-OG 3.25Å; K2719-K3080 HydrophobicContact CG-CG 4.23Å |
| 2720 | V | 70.2 | Confident | 62.3 | Low | 43.5 Ų | 43.5 | 87 Ų | 87 | 26% | 0.264 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.9 | 170.9 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | M2752 L2757 Y2789 L2791 S3078 L3079 | V2720-M2752 HydrophobicContact CG1-CE 4.45Å; V2720-L2757 HydrophobicContact CG2-CD1 4.29Å; V2720-Y2789 HydrophobicContact CG1-CD1 3.92Å; V2720-Y2789 HydrophobicContact CG1-CG 4.18Å; V2720-L2791 HydrophobicContact CG2-CD1 4.14Å; V2720-S3078 CarbonylContact O-C 3.54Å; V2720-S3078 VanDerWaalsContact O-CA 3.22Å; V2720-S3078 WeakPolarHBondContact O-CA 3.36Å; V2720-S3078 WeakPolarHBondContact O-CB 3.49Å; V2720-L3079 HydrophobicContact CB-CB 4.34Å; V2720-L3079 PolarHBondContact N-O 3.42Å; V2720-L3079 PolarHBondContact O-N 2.97Å |
| 2721 | I | 70.3 | Confident | 65.2 | Low | 78.5 Ų | 78.5 | 87.2 Ų | 87.2 | 40% | 0.403 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.5 | -178.3 | -53.9 | 177.2 | 0 | 0 | 0 | 109.3 | K2719 R2723 Y2789 L2790 V2792 | K2719-I2721 HydrophobicContact CD-CD1 4.01Å; K2719-I2721 HydrophobicContact CD-CG1 4.09Å; K2719-I2721 HydrophobicContact CG-CD1 4.3Å; K2719-I2721 HydrophobicContact CG-CG1 3.87Å; I2721-R2723 PolarHBondContact O-N 3.23Å; I2721-Y2789 CarbonylContact O-C 3.53Å; I2721-Y2789 VanDerWaalsContact O-CA 3.24Å; I2721-Y2789 WeakPolarHBondContact O-CA 3.13Å; I2721-L2790 HydrophobicContact CB-CB 4.16Å; I2721-L2790 PolarHBondContact N-O 3.01Å; I2721-L2790 PolarHBondContact O-N 2.95Å; I2721-V2792 HydrophobicContact CD1-CG2 3.94Å |
| 2722 | Q | 68.4 | Low | 68 | Low | 24 Ų | 24 | 81.7 Ų | 81.7 | 11% | 0.112 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123.4 | 170.6 | -170.5 | 170.9 | -2.7 | 0 | 0 | 109.8 | E2724 H2725 D2726 I2728 Y2789 C3077 | Q2722-E2724 VanDerWaalsContact C-N 3.3Å; Q2722-E2724 HydrophobicContact CG-CB 4.31Å; Q2722-E2724 HydrophobicContact CG-CG 4.37Å; Q2722-E2724 PolarHBondContact NE2-OE2 3.17Å; Q2722-E2724 PolarHBondContact O-N 3.07Å; Q2722-H2725 PolarHBondContact O-N 2.55Å; Q2722-D2726 PolarHBondContact OE1-O 2.91Å; Q2722-I2728 HydrophobicContact CB-CD1 4.47Å; Q2722-Y2789 HydrophobicContact CB-CD1 3.98Å; Q2722-Y2789 HydrophobicContact CB-CE1 3.66Å; Q2722-Y2789 HydrophobicContact CG-CD1 4.29Å; Q2722-Y2789 HydrophobicContact CG-CE1 3.73Å; Q2722-C3077 PolarHBondContact N-O 2.86Å |
| 2723 | R | 65.8 | Low | 70.5 | Confident | 145 Ų | 145 | 75.1 Ų | 75.1 | 55% | 0.547 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.3 | -177.4 | -108.2 | -161.1 | -168.8 | 166.8 | 2.4 | 113.1 | I2721 H2725 D2787 D2788 L2790 | I2721-R2723 PolarHBondContact O-N 3.23Å; R2723-H2725 PolarHBondContact O-CD2 3.32Å; R2723-H2725 PolarHBondContact O-N 2.95Å; R2723-H2725 VanDerWaalsContact O-N 3.14Å; R2723-D2787 WeakPolarHBondContact CD-O 3.46Å; R2723-D2787 VanDerWaalsContact CG-O 3.25Å; R2723-D2787 WeakPolarHBondContact CG-O 3.48Å; R2723-D2787 IonicContact CZ-OD1 3.61Å; R2723-D2787 PolarHBondContact NE-O 3.32Å; R2723-D2787 VanDerWaalsContact NH1-CB 3.32Å; R2723-D2787 PolarHBondContact NH1-O 3.35Å; R2723-D2787 VanDerWaalsContact NH1-O 3.1Å; R2723-D2787 IonicContact NH1-OD1 3.72Å; R2723-D2787 PolarHBondContact NH1-OD1 2.85Å; R2723-D2787 IonicContact NH1-OD2 3.14Å; R2723-D2787 PolarHBondContact NH1-OD2 3.31Å; R2723-D2787 IonicContact NH2-OD1 2.72Å; R2723-D2787 PolarHBondContact NH2-OD1 3.15Å; R2723-D2788 WeakPolarHBondContact CB-O 3.36Å; R2723-D2788 WeakPolarHBondContact CG-O 3.3Å; R2723-D2788 PolarHBondContact N-O 3.09Å; R2723-L2790 HydrophobicContact CG-CD1 4.02Å; R2723-L2790 HydrophobicContact CG-CG 4.36Å |
| 2724 | E | 65.1 | Low | 72.9 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | trans | -72.4 | 74 | 179.5 | -65.3 | -169.9 | 151.8 | 0 | 0 | 112.8 | Q2722 D2726 Q2750 | Q2722-E2724 VanDerWaalsContact C-N 3.3Å; Q2722-E2724 HydrophobicContact CG-CB 4.31Å; Q2722-E2724 HydrophobicContact CG-CG 4.37Å; Q2722-E2724 PolarHBondContact NE2-OE2 3.17Å; Q2722-E2724 PolarHBondContact O-N 3.07Å; E2724-D2726 VanDerWaalsContact C-N 3.27Å; E2724-D2726 PolarHBondContact O-N 3.36Å; E2724-D2726 VanDerWaalsContact O-N 3.16Å; E2724-Q2750 PolarHBondContact OE2-NE2 3.3Å; E2724-Q2750 VanDerWaalsContact OE2-NE2 3.07Å | ||
| 2725 | H | 71.1 | Confident | 74.5 | Confident | 170.5 Ų | 170.5 | 63.9 Ų | 63.9 | 79% | 0.789 | 33% | 0.329 | S | S | * | . | trans | -10.3 | 7.3 | -179.9 | -76.9 | -73.9 | 0 | 0 | 0 | 113.8 | Q2722 R2723 C3077 | Q2722-H2725 PolarHBondContact O-N 2.55Å; R2723-H2725 PolarHBondContact O-CD2 3.32Å; R2723-H2725 PolarHBondContact O-N 2.95Å; R2723-H2725 VanDerWaalsContact O-N 3.14Å; H2725-C3077 PolarHBondContact O-SG 3.2Å | ||
| 2726 | D | 77.9 | Confident | 75.6 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -85.2 | 132.6 | 176.7 | -111.9 | 16.6 | 0 | 0 | 0 | 109.7 | Q2722 E2724 I2728 G2746 R2747 C3077 | Q2722-D2726 PolarHBondContact OE1-O 2.91Å; E2724-D2726 VanDerWaalsContact C-N 3.27Å; E2724-D2726 PolarHBondContact O-N 3.36Å; E2724-D2726 VanDerWaalsContact O-N 3.16Å; D2726-I2728 PolarHBondContact O-N 3.39Å; D2726-G2746 VanDerWaalsContact OD2-CA 3.29Å; D2726-G2746 WeakPolarHBondContact OD2-CA 3.33Å; D2726-G2746 PolarHBondContact OD2-N 3.22Å; D2726-R2747 IonicContact OD1-CZ 2.74Å; D2726-R2747 IonicContact OD1-NH2 3.06Å; D2726-R2747 PolarHBondContact OD1-NH2 2.93Å; D2726-R2747 IonicContact OD2-CZ 2.72Å; D2726-R2747 VanDerWaalsContact OD2-CZ 3.23Å; D2726-R2747 IonicContact OD2-NE 3.55Å; D2726-R2747 PolarHBondContact OD2-NE 2.99Å; D2726-R2747 IonicContact OD2-NH2 2.68Å; D2726-R2747 PolarHBondContact OD2-NH2 3.27Å; D2726-C3077 VanDerWaalsContact C-SG 3.58Å; D2726-C3077 WeakPolarHBondContact O-CB 3.43Å |
| 2727 | P | 82.1 | Confident | 76.4 | Confident | 50.5 Ų | 50.5 | 64.3 Ų | 64.3 | 33% | 0.328 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 135.9 | -178.1 | 27.9 | -33.7 | 0 | 0 | 0 | 110.9 | T2729 S2745 T3056 | P2727-T2729 PolarHBondContact O-N 3.1Å; P2727-S2745 CarbonylContact O-C 3.59Å; P2727-T3056 HydrophobicContact CB-CG2 4.33Å; P2727-T3056 HydrophobicContact CG-CG2 4.5Å |
| 2728 | I | 85.8 | Confident | 77 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | trans | -72.3 | 115.2 | 172.8 | -61.7 | 174 | 0 | 0 | 0 | 108.3 | Q2722 D2726 I2743 S2744 C3073 L3079 | Q2722-I2728 HydrophobicContact CB-CD1 4.47Å; D2726-I2728 PolarHBondContact O-N 3.39Å; I2728-I2743 HydrophobicContact CB-CG2 4.32Å; I2728-I2743 HydrophobicContact CD1-CD1 4.49Å; I2728-I2743 HydrophobicContact CD1-CG2 3.94Å; I2728-I2743 HydrophobicContact CG1-CG2 3.87Å; I2728-I2743 HydrophobicContact CG2-CG2 3.59Å; I2728-S2744 WeakPolarHBondContact CA-O 3.18Å; I2728-C3073 HydrophobicContact CB-CB 4.26Å; I2728-C3073 HydrophobicContact CG2-CB 3.73Å; I2728-L3079 HydrophobicContact CD1-CB 4.23Å | ||
| 2729 | T | 88.3 | Confident | 77.4 | Confident | 18.5 Ų | 18.5 | 63.2 Ų | 63.2 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | trans | -91.5 | -33.2 | -173.6 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | P2727 S2744 G2746 V2818 Q3060 | P2727-T2729 PolarHBondContact O-N 3.1Å; T2729-S2744 PolarHBondContact N-O 2.87Å; T2729-S2744 PolarHBondContact OG1-O 3.16Å; T2729-S2744 PolarHBondContact OG1-OG 2.78Å; T2729-G2746 PolarHBondContact OG1-N 2.75Å; T2729-V2818 PolarHBondContact OG1-O 3.08Å; T2729-Q3060 WeakPolarHBondContact O-CB 3.08Å | ||
| 2730 | A | 90.4 | Very high | 78.1 | Confident | 6.5 Ų | 6.5 | 58.4 Ų | 58.4 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 158.2 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | S2744 M2821 M3061 | A2730-S2744 PolarHBondContact O-N 3.03Å; A2730-M2821 HydrophobicContact CB-CB 4.31Å; A2730-M2821 HydrophobicContact CB-CE 4.19Å; A2730-M2821 HydrophobicContact CB-CG 4.14Å; A2730-M2821 VanDerWaalsContact O-CE 3.28Å; A2730-M2821 WeakPolarHBondContact O-CE 3.36Å; A2730-M3061 HydrophobicContact CB-SD 4.21Å |
| 2731 | F | 92.1 | Very high | 78.9 | Confident | 63.5 Ų | 63.5 | 57.1 Ų | 57.1 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 159 | 169.6 | 67.5 | -87.6 | 0 | 0 | 0 | 110.4 | I2733 I2741 A2742 I2743 M3061 Y3071 C3073 L3079 | F2731-I2733 HydrophobicContact CD2-CD1 4.11Å; F2731-I2733 HydrophobicContact CD2-CG1 4.14Å; F2731-I2733 HydrophobicContact CE2-CD1 3.97Å; F2731-I2733 HydrophobicContact CE2-CG1 4.27Å; F2731-I2741 HydrophobicContact CB-CD1 4.11Å; F2731-I2741 HydrophobicContact CB-CG1 4.29Å; F2731-I2741 HydrophobicContact CD2-CD1 3.93Å; F2731-I2741 HydrophobicContact CD2-CG1 4.39Å; F2731-I2741 HydrophobicContact CG-CD1 4.26Å; F2731-A2742 CarbonylContact C-O 3.55Å; F2731-A2742 WeakPolarHBondContact CA-O 3.4Å; F2731-A2742 WeakPolarHBondContact CB-O 3.39Å; F2731-I2743 HydrophobicContact CB-CG1 4.43Å; F2731-M3061 HydrophobicContact CD1-CB 4.2Å; F2731-M3061 HydrophobicContact CD1-CG 4.3Å; F2731-M3061 HydrophobicContact CD1-SD 4.22Å; F2731-M3061 HydrophobicContact CE1-CB 3.86Å; F2731-M3061 HydrophobicContact CE1-CG 3.91Å; F2731-M3061 HydrophobicContact CE1-SD 4.36Å; F2731-M3061 HydrophobicContact CZ-CG 4.35Å; F2731-M3061 WeakPolarHBondContact O-CE 3.5Å; F2731-Y3071 HydrophobicContact CE2-CG 4.46Å; F2731-C3073 HydrophobicContact CD1-CB 3.76Å; F2731-C3073 HydrophobicContact CE1-CB 4.05Å; F2731-L3079 HydrophobicContact CB-CD1 4.47Å; F2731-L3079 HydrophobicContact CD1-CD1 3.78Å; F2731-L3079 HydrophobicContact CD2-CD1 4.48Å; F2731-L3079 HydrophobicContact CE1-CD1 4.08Å; F2731-L3079 HydrophobicContact CG-CD1 3.99Å |
| 2732 | A | 91 | Very high | 79.7 | Confident | 5.5 Ų | 5.5 | 53.3 Ų | 53.3 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | I2741 A2742 M2821 A2823 W2844 | A2732-I2741 CarbonylContact O-C 3.59Å; A2732-I2741 WeakPolarHBondContact O-CA 3.36Å; A2732-I2741 VanDerWaalsContact O-CG1 3.3Å; A2732-I2741 WeakPolarHBondContact O-CG1 3.31Å; A2732-A2742 HydrophobicContact CB-CB 4.48Å; A2732-A2742 PolarHBondContact N-O 3.16Å; A2732-A2742 PolarHBondContact O-N 3.19Å; A2732-M2821 HydrophobicContact CB-CB 3.98Å; A2732-A2823 HydrophobicContact CB-CB 4.46Å; A2732-W2844 WeakPolarHBondContact O-CH2 3.29Å |
| 2733 | I | 88.9 | Confident | 80.7 | Confident | 55.5 Ų | 55.5 | 52.6 Ų | 52.6 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134 | -179.9 | -60.7 | 168.6 | 0 | 0 | 0 | 107.8 | F2731 P2735 I2741 A2823 Y3063 Y3071 | F2731-I2733 HydrophobicContact CD2-CD1 4.11Å; F2731-I2733 HydrophobicContact CD2-CG1 4.14Å; F2731-I2733 HydrophobicContact CE2-CD1 3.97Å; F2731-I2733 HydrophobicContact CE2-CG1 4.27Å; I2733-P2735 WeakPolarHBondContact O-CD 3.41Å; I2733-I2741 HydrophobicContact CG1-CD1 4.06Å; I2733-I2741 HydrophobicContact CG1-CG1 4.11Å; I2733-A2823 WeakPolarHBondContact O-CB 3.18Å; I2733-Y3063 HydrophobicContact CD1-CD1 3.54Å; I2733-Y3063 HydrophobicContact CD1-CE1 3.94Å; I2733-Y3063 HydrophobicContact CD1-CG 4.34Å; I2733-Y3071 HydrophobicContact CD1-CD1 3.71Å; I2733-Y3071 HydrophobicContact CD1-CD2 3.61Å; I2733-Y3071 HydrophobicContact CD1-CE1 3.85Å; I2733-Y3071 HydrophobicContact CD1-CE2 3.77Å; I2733-Y3071 HydrophobicContact CD1-CG 3.58Å |
| 2734 | C | 84.5 | Confident | 81.8 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | trans | -72.6 | 120.6 | 176.5 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | N2736 M2740 W2844 | C2734-N2736 VanDerWaalsContact C-N 3.32Å; C2734-N2736 PolarHBondContact O-N 2.97Å; C2734-M2740 HydrophobicContact CB-CB 3.77Å; C2734-M2740 HydrophobicContact CB-CE 4.29Å; C2734-M2740 PolarHBondContact N-O 3.14Å; C2734-W2844 HydrophobicContact CB-CD2 4.31Å; C2734-W2844 HydrophobicContact CB-CH2 4.35Å; C2734-W2844 HydrophobicContact CB-CZ2 3.84Å | ||
| 2735 | P | 76.2 | Confident | 82.6 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -71.8 | -28.2 | 178.8 | 26.6 | -31.6 | 0 | 0 | 0 | 112.6 | I2733 H2824 P2825 | I2733-P2735 WeakPolarHBondContact O-CD 3.41Å; P2735-H2824 WeakPolarHBondContact CG-O 3.43Å; P2735-P2825 WeakPolarHBondContact CG-O 3.44Å |
| 2736 | N | 70.7 | Confident | 82.9 | Confident | 77.5 Ų | 77.5 | 34.8 Ų | 34.8 | 41% | 0.414 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -81.1 | -33.4 | -175.1 | -66.4 | 9.6 | 0 | 0 | 0 | 113.6 | C2734 T2826 | C2734-N2736 VanDerWaalsContact C-N 3.32Å; C2734-N2736 PolarHBondContact O-N 2.97Å; N2736-T2826 PolarHBondContact ND2-O 3.28Å; N2736-T2826 PolarHBondContact OD1-O 2.79Å |
| 2737 | R | 72.4 | Confident | 83.1 | Confident | 130.5 Ų | 130.5 | 40.5 Ų | 40.5 | 49% | 0.492 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -121.8 | 105.6 | -176.8 | -172.9 | 171.1 | 165.2 | -178.6 | -2.9 | 108.4 | G2739 M2740 D2753 | R2737-G2739 PolarHBondContact O-N 3.23Å; R2737-M2740 HydrophobicContact CB-CE 3.77Å; R2737-M2740 HydrophobicContact CB-CG 4.04Å; R2737-M2740 HydrophobicContact CG-CE 4.17Å; R2737-M2740 HydrophobicContact CG-CG 3.73Å; R2737-M2740 VanDerWaalsContact CG-CG 3.48Å; R2737-M2740 HydrophobicContact CG-SD 4.39Å; R2737-M2740 PolarHBondContact O-N 2.91Å; R2737-D2753 IonicContact CZ-OD2 3.77Å; R2737-D2753 IonicContact NE-OD2 2.8Å; R2737-D2753 IonicContact NH2-OD2 3.07Å; R2737-D2753 PolarHBondContact NH2-OD2 2.94Å |
| 2738 | F | 71.7 | Confident | 83.2 | Confident | 113.5 Ų | 113.5 | 39.2 Ų | 39.2 | 50% | 0.498 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 138.8 | 175.6 | -171.2 | -110.6 | 0 | 0 | 0 | 110.5 | M2740 S2755 L2758 R3069 | F2738-M2740 VanDerWaalsContact C-N 3.29Å; F2738-M2740 PolarHBondContact O-N 3.37Å; F2738-S2755 PolarHBondContact O-OG 3.16Å; F2738-L2758 HydrophobicContact CD1-CB 4.39Å; F2738-L2758 HydrophobicContact CD1-CD1 4.29Å; F2738-L2758 HydrophobicContact CE1-CB 3.46Å; F2738-L2758 VanDerWaalsContact CE1-CB 3.46Å; F2738-L2758 HydrophobicContact CE1-CD1 3.82Å; F2738-L2758 HydrophobicContact CE1-CG 4.27Å; F2738-L2758 HydrophobicContact CE2-CD1 4.32Å; F2738-L2758 HydrophobicContact CZ-CB 3.83Å; F2738-L2758 HydrophobicContact CZ-CD1 3.85Å; F2738-L2758 HydrophobicContact CZ-CG 4.36Å; F2738-R3069 VanDerWaalsContact CZ-CZ 3.5Å |
| 2739 | G | 73.5 | Confident | 83.3 | Confident | 4.5 Ų | 4.5 | 37.2 Ų | 37.2 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -3.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | R2737 D2753 I2754 | R2737-G2739 PolarHBondContact O-N 3.23Å; G2739-D2753 CarbonylContact O-C 3.58Å; G2739-D2753 WeakPolarHBondContact O-CA 3.47Å; G2739-I2754 WeakPolarHBondContact O-CG1 2.98Å; G2739-I2754 PolarHBondContact O-N 3.21Å |
| 2740 | M | 82.7 | Confident | 83.2 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124 | 174.9 | -63.7 | -117.4 | -61.2 | 0 | 0 | 111.6 | C2734 R2737 F2738 D2753 L2810 W2844 | C2734-M2740 HydrophobicContact CB-CB 3.77Å; C2734-M2740 HydrophobicContact CB-CE 4.29Å; C2734-M2740 PolarHBondContact N-O 3.14Å; R2737-M2740 HydrophobicContact CB-CE 3.77Å; R2737-M2740 HydrophobicContact CB-CG 4.04Å; R2737-M2740 HydrophobicContact CG-CE 4.17Å; R2737-M2740 HydrophobicContact CG-CG 3.73Å; R2737-M2740 VanDerWaalsContact CG-CG 3.48Å; R2737-M2740 HydrophobicContact CG-SD 4.39Å; R2737-M2740 PolarHBondContact O-N 2.91Å; F2738-M2740 VanDerWaalsContact C-N 3.29Å; F2738-M2740 PolarHBondContact O-N 3.37Å; M2740-D2753 HydrophobicContact SD-CB 3.76Å; M2740-L2810 HydrophobicContact CG-CD1 4.28Å; M2740-L2810 HydrophobicContact SD-CD1 3.65Å; M2740-W2844 HydrophobicContact CE-CB 4.1Å; M2740-W2844 HydrophobicContact CE-CG 4.31Å |
| 2741 | I | 87 | Confident | 83 | Confident | 15.5 Ų | 15.5 | 36.1 Ų | 36.1 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.3 | -179.2 | -109.7 | 178.8 | 0 | 0 | 0 | 110.6 | F2731 A2732 I2733 I2743 E2751 M2752 I2754 L3079 | F2731-I2741 HydrophobicContact CB-CD1 4.11Å; F2731-I2741 HydrophobicContact CB-CG1 4.29Å; F2731-I2741 HydrophobicContact CD2-CD1 3.93Å; F2731-I2741 HydrophobicContact CD2-CG1 4.39Å; F2731-I2741 HydrophobicContact CG-CD1 4.26Å; A2732-I2741 CarbonylContact O-C 3.59Å; A2732-I2741 WeakPolarHBondContact O-CA 3.36Å; A2732-I2741 VanDerWaalsContact O-CG1 3.3Å; A2732-I2741 WeakPolarHBondContact O-CG1 3.31Å; I2733-I2741 HydrophobicContact CG1-CD1 4.06Å; I2733-I2741 HydrophobicContact CG1-CG1 4.11Å; I2741-I2743 HydrophobicContact CD1-CG1 4.3Å; I2741-I2743 HydrophobicContact CG1-CG1 4.22Å; I2741-I2743 HydrophobicContact CG2-CD1 4.29Å; I2741-I2743 HydrophobicContact CG2-CG1 3.99Å; I2741-E2751 CarbonylContact O-C 3.53Å; I2741-E2751 WeakPolarHBondContact O-CA 3.43Å; I2741-M2752 HydrophobicContact CB-CG 4.16Å; I2741-M2752 HydrophobicContact CG2-CB 4.04Å; I2741-M2752 PolarHBondContact N-O 2.93Å; I2741-M2752 WeakPolarHBondContact O-CG 3.44Å; I2741-M2752 PolarHBondContact O-N 3.13Å; I2741-I2754 HydrophobicContact CD1-CD1 3.47Å; I2741-I2754 VanDerWaalsContact CD1-CD1 3.47Å; I2741-I2754 HydrophobicContact CD1-CG1 3.99Å; I2741-I2754 HydrophobicContact CG1-CD1 4.3Å; I2741-I2754 HydrophobicContact CG1-CG1 4.31Å; I2741-I2754 HydrophobicContact CG2-CD1 4.39Å; I2741-I2754 HydrophobicContact CG2-CG1 4.2Å; I2741-I2754 HydrophobicContact CG2-CG2 3.92Å; I2741-L3079 HydrophobicContact CD1-CD1 4.24Å; I2741-L3079 HydrophobicContact CD1-CD2 3.43Å; I2741-L3079 VanDerWaalsContact CD1-CD2 3.43Å; I2741-L3079 HydrophobicContact CD1-CG 4.48Å |
| 2742 | A | 88.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | F2731 A2732 Q2750 E2751 M2821 Y2830 W2844 | F2731-A2742 CarbonylContact C-O 3.55Å; F2731-A2742 WeakPolarHBondContact CA-O 3.4Å; F2731-A2742 WeakPolarHBondContact CB-O 3.39Å; A2732-A2742 HydrophobicContact CB-CB 4.48Å; A2732-A2742 PolarHBondContact N-O 3.16Å; A2732-A2742 PolarHBondContact O-N 3.19Å; A2742-Q2750 CarbonylContact C-O 3.55Å; A2742-Q2750 VanDerWaalsContact CA-O 3.29Å; A2742-Q2750 WeakPolarHBondContact CA-O 3.45Å; A2742-E2751 HydrophobicContact CB-CG 4.19Å; A2742-M2821 HydrophobicContact CB-CE 4.37Å; A2742-M2821 WeakPolarHBondContact O-CE 2.99Å; A2742-Y2830 HydrophobicContact CB-CE1 4.38Å; A2742-Y2830 HydrophobicContact CB-CE2 4.27Å; A2742-W2844 HydrophobicContact CB-CH2 3.6Å; A2742-W2844 HydrophobicContact CB-CZ3 3.58Å |
| 2743 | I | 88.5 | Confident | 81.5 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.046 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.4 | -177.7 | -57.3 | -173.4 | 0 | 0 | 0 | 108.5 | I2728 F2731 I2741 L2749 Q2750 M2752 L3079 | I2728-I2743 HydrophobicContact CB-CG2 4.32Å; I2728-I2743 HydrophobicContact CD1-CD1 4.49Å; I2728-I2743 HydrophobicContact CD1-CG2 3.94Å; I2728-I2743 HydrophobicContact CG1-CG2 3.87Å; I2728-I2743 HydrophobicContact CG2-CG2 3.59Å; F2731-I2743 HydrophobicContact CB-CG1 4.43Å; I2741-I2743 HydrophobicContact CD1-CG1 4.3Å; I2741-I2743 HydrophobicContact CG1-CG1 4.22Å; I2741-I2743 HydrophobicContact CG2-CD1 4.29Å; I2741-I2743 HydrophobicContact CG2-CG1 3.99Å; I2743-L2749 WeakPolarHBondContact O-CA 3.44Å; I2743-Q2750 PolarHBondContact N-O 3.09Å; I2743-Q2750 PolarHBondContact O-N 3.2Å; I2743-M2752 HydrophobicContact CB-CE 4.39Å; I2743-M2752 HydrophobicContact CD1-CE 3.55Å; I2743-M2752 HydrophobicContact CD1-SD 3.63Å; I2743-M2752 VanDerWaalsContact CD1-SD 3.55Å; I2743-M2752 HydrophobicContact CG1-CE 4.03Å; I2743-M2752 HydrophobicContact CG1-SD 4.22Å; I2743-L3079 HydrophobicContact CD1-CD2 4.06Å |
| 2744 | S | 89.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.4 | 169.9 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | I2728 T2729 A2730 G2746 E2748 V2818 | I2728-S2744 WeakPolarHBondContact CA-O 3.18Å; T2729-S2744 PolarHBondContact N-O 2.87Å; T2729-S2744 PolarHBondContact OG1-O 3.16Å; T2729-S2744 PolarHBondContact OG1-OG 2.78Å; A2730-S2744 PolarHBondContact O-N 3.03Å; S2744-G2746 PolarHBondContact O-N 3.2Å; S2744-G2746 PolarHBondContact OG-N 3.08Å; S2744-E2748 VanDerWaalsContact CA-O 3.26Å; S2744-E2748 WeakPolarHBondContact CA-O 3.35Å; S2744-E2748 PolarHBondContact OG-O 3.38Å; S2744-V2818 WeakPolarHBondContact OG-CB 3.44Å; S2744-V2818 PolarHBondContact OG-O 3.48Å; S2744-V2818 VanDerWaalsContact OG-O 3.11Å |
| 2745 | S | 82.1 | Confident | 79.9 | Confident | 2.5 Ų | 2.5 | 33.2 Ų | 33.2 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | trans | -85 | 95.8 | 165.4 | 69 | 0 | 0 | 0 | 0 | 111 | P2727 R2747 E2748 | P2727-S2745 CarbonylContact O-C 3.59Å; S2745-R2747 PolarHBondContact O-N 3.06Å; S2745-R2747 VanDerWaalsContact O-N 3.13Å; S2745-E2748 PolarHBondContact N-O 3.02Å; S2745-E2748 VanDerWaalsContact N-O 3.13Å; S2745-E2748 WeakPolarHBondContact OG-CG 3.43Å; S2745-E2748 PolarHBondContact OG-N 2.87Å; S2745-E2748 PolarHBondContact OG-O 3.45Å | ||
| 2746 | G | 77.3 | Confident | 79.2 | Confident | 22.5 Ų | 22.5 | 31.5 Ų | 31.5 | 23% | 0.232 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 7.3 | -24.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D2726 T2729 S2744 G2817 | D2726-G2746 VanDerWaalsContact OD2-CA 3.29Å; D2726-G2746 WeakPolarHBondContact OD2-CA 3.33Å; D2726-G2746 PolarHBondContact OD2-N 3.22Å; T2729-G2746 PolarHBondContact OG1-N 2.75Å; S2744-G2746 PolarHBondContact O-N 3.2Å; S2744-G2746 PolarHBondContact OG-N 3.08Å; G2746-G2817 PolarHBondContact O-N 2.93Å |
| 2747 | R | 81.3 | Confident | 78.8 | Confident | 149 Ų | 149 | 28.9 Ų | 28.9 | 56% | 0.562 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -104.3 | -27.8 | 178.7 | -62.8 | -173.6 | -114.5 | -173.4 | 2.9 | 113.3 | D2726 S2745 V2815 | D2726-R2747 IonicContact OD1-CZ 2.74Å; D2726-R2747 IonicContact OD1-NH2 3.06Å; D2726-R2747 PolarHBondContact OD1-NH2 2.93Å; D2726-R2747 IonicContact OD2-CZ 2.72Å; D2726-R2747 VanDerWaalsContact OD2-CZ 3.23Å; D2726-R2747 IonicContact OD2-NE 3.55Å; D2726-R2747 PolarHBondContact OD2-NE 2.99Å; D2726-R2747 IonicContact OD2-NH2 2.68Å; D2726-R2747 PolarHBondContact OD2-NH2 3.27Å; S2745-R2747 PolarHBondContact O-N 3.06Å; S2745-R2747 VanDerWaalsContact O-N 3.13Å; R2747-V2815 CarbonylContact O-C 3.59Å; R2747-V2815 PolarHBondContact O-N 2.55Å |
| 2748 | E | 85.5 | Confident | 78.4 | Confident | 21.5 Ų | 21.5 | 23.8 Ų | 23.8 | 10% | 0.1 | 12% | 0.12 | C | C | . | . | trans | -146.5 | 164.5 | -170.8 | 54 | -177.2 | -154.6 | 0 | 0 | 112.3 | S2744 S2745 Q2750 K2812 R2813 | S2744-E2748 VanDerWaalsContact CA-O 3.26Å; S2744-E2748 WeakPolarHBondContact CA-O 3.35Å; S2744-E2748 PolarHBondContact OG-O 3.38Å; S2745-E2748 PolarHBondContact N-O 3.02Å; S2745-E2748 VanDerWaalsContact N-O 3.13Å; S2745-E2748 WeakPolarHBondContact OG-CG 3.43Å; S2745-E2748 PolarHBondContact OG-N 2.87Å; S2745-E2748 PolarHBondContact OG-O 3.45Å; E2748-Q2750 HydrophobicContact CG-CG 4.44Å; E2748-Q2750 PolarHBondContact OE1-NE2 3.02Å; E2748-K2812 WeakPolarHBondContact OE1-CE 3.36Å; E2748-K2812 IonicContact OE1-NZ 3.35Å; E2748-K2812 PolarHBondContact OE1-NZ 2.76Å; E2748-K2812 WeakPolarHBondContact OE2-CE 3.09Å; E2748-K2812 IonicContact OE2-NZ 2.74Å; E2748-K2812 PolarHBondContact OE2-NZ 2.66Å; E2748-R2813 CarbonylContact C-O 3.54Å; E2748-R2813 VanDerWaalsContact CA-O 3.27Å; E2748-R2813 WeakPolarHBondContact CA-O 2.74Å; E2748-R2813 VanDerWaalsContact CB-O 3.31Å; E2748-R2813 WeakPolarHBondContact CB-O 3.31Å | ||
| 2749 | L | 87.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.7 | 177.6 | -172.4 | 112.1 | 0 | 0 | 0 | 107.6 | I2743 E2751 R2813 M2821 Y2830 | I2743-L2749 WeakPolarHBondContact O-CA 3.44Å; L2749-E2751 HydrophobicContact CD2-CG 4.37Å; L2749-R2813 HydrophobicContact CB-CB 4.39Å; L2749-R2813 PolarHBondContact N-O 3.33Å; L2749-R2813 PolarHBondContact O-N 2.83Å; L2749-M2821 HydrophobicContact CD1-SD 3.48Å; L2749-M2821 WeakPolarHBondContact CD1-SD 3.4Å; L2749-M2821 HydrophobicContact CG-SD 4.13Å; L2749-Y2830 HydrophobicContact CD1-CE2 3.88Å; L2749-Y2830 HydrophobicContact CD2-CE2 4.46Å; L2749-Y2830 WeakPolarHBondContact CD2-OH 3.47Å |
| 2750 | Q | 85.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.1 | -175.6 | -62.5 | -172 | 9.8 | 0 | 0 | 109.7 | E2724 A2742 I2743 E2748 M2752 Y2789 Y2809 K2812 | E2724-Q2750 PolarHBondContact OE2-NE2 3.3Å; E2724-Q2750 VanDerWaalsContact OE2-NE2 3.07Å; A2742-Q2750 CarbonylContact C-O 3.55Å; A2742-Q2750 VanDerWaalsContact CA-O 3.29Å; A2742-Q2750 WeakPolarHBondContact CA-O 3.45Å; I2743-Q2750 PolarHBondContact N-O 3.09Å; I2743-Q2750 PolarHBondContact O-N 3.2Å; E2748-Q2750 HydrophobicContact CG-CG 4.44Å; E2748-Q2750 PolarHBondContact OE1-NE2 3.02Å; Q2750-M2752 HydrophobicContact CB-CE 4.42Å; Q2750-Y2789 PolarHBondContact NE2-OH 3.31Å; Q2750-Y2789 PolarHBondContact OE1-OH 2.95Å; Q2750-Y2809 HydrophobicContact CB-CE2 3.99Å; Q2750-Y2809 HydrophobicContact CG-CE2 4.29Å; Q2750-K2812 HydrophobicContact CG-CG 4.47Å |
| 2751 | E | 85.4 | Confident | 75.2 | Confident | 0.5 Ų | 0.5 | 28.3 Ų | 28.3 | 0% | 0.002 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129.5 | 170.9 | -67.2 | 176.6 | -172.4 | 0 | 0 | 109.2 | I2741 A2742 L2749 L2810 C2811 R2813 Y2830 W2844 G2845 | I2741-E2751 CarbonylContact O-C 3.53Å; I2741-E2751 WeakPolarHBondContact O-CA 3.43Å; A2742-E2751 HydrophobicContact CB-CG 4.19Å; L2749-E2751 HydrophobicContact CD2-CG 4.37Å; E2751-L2810 HydrophobicContact CB-CB 3.98Å; E2751-L2810 PolarHBondContact O-N 2.83Å; E2751-C2811 HydrophobicContact CB-CB 4.22Å; E2751-C2811 HydrophobicContact CG-CB 4.47Å; E2751-C2811 PolarHBondContact N-O 3.19Å; E2751-C2811 PolarHBondContact O-N 2.91Å; E2751-R2813 IonicContact OE1-CZ 3.41Å; E2751-R2813 IonicContact OE1-NH1 3.97Å; E2751-R2813 PolarHBondContact OE1-NH1 2.93Å; E2751-R2813 IonicContact OE1-NH2 2.71Å; E2751-R2813 PolarHBondContact OE1-NH2 3.46Å; E2751-R2813 IonicContact OE2-NH2 3.64Å; E2751-R2813 PolarHBondContact OE2-NH2 3.27Å; E2751-Y2830 VanDerWaalsContact OE1-CE1 3.28Å; E2751-Y2830 WeakPolarHBondContact OE1-CE1 3.49Å; E2751-Y2830 PolarHBondContact OE1-OH 3.08Å; E2751-W2844 HydrophobicContact CG-CE3 4.23Å; E2751-W2844 HydrophobicContact CG-CZ3 4.34Å; E2751-G2845 PolarHBondContact OE2-N 3.32Å |
| 2752 | M | 78.3 | Confident | 73.4 | Confident | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.044 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.2 | -176.5 | -0.9 | 178.8 | 69.7 | 0 | 0 | 110.5 | V2720 I2741 I2743 Q2750 I2754 Y2789 T2807 T2808 Y2809 | V2720-M2752 HydrophobicContact CG1-CE 4.45Å; I2741-M2752 HydrophobicContact CB-CG 4.16Å; I2741-M2752 HydrophobicContact CG2-CB 4.04Å; I2741-M2752 PolarHBondContact N-O 2.93Å; I2741-M2752 WeakPolarHBondContact O-CG 3.44Å; I2741-M2752 PolarHBondContact O-N 3.13Å; I2743-M2752 HydrophobicContact CB-CE 4.39Å; I2743-M2752 HydrophobicContact CD1-CE 3.55Å; I2743-M2752 HydrophobicContact CD1-SD 3.63Å; I2743-M2752 VanDerWaalsContact CD1-SD 3.55Å; I2743-M2752 HydrophobicContact CG1-CE 4.03Å; I2743-M2752 HydrophobicContact CG1-SD 4.22Å; Q2750-M2752 HydrophobicContact CB-CE 4.42Å; M2752-I2754 HydrophobicContact CG-CG2 4.23Å; M2752-I2754 HydrophobicContact SD-CG2 4.27Å; M2752-Y2789 HydrophobicContact CE-CD2 3.52Å; M2752-Y2789 HydrophobicContact CE-CE2 3.76Å; M2752-Y2789 HydrophobicContact CE-CG 4.04Å; M2752-Y2789 HydrophobicContact SD-CD2 3.92Å; M2752-Y2789 HydrophobicContact SD-CE2 3.48Å; M2752-Y2789 WeakPolarHBondContact SD-CE2 3.28Å; M2752-T2807 HydrophobicContact CE-CG2 3.91Å; M2752-T2807 WeakPolarHBondContact CE-OG1 3.19Å; M2752-T2808 WeakPolarHBondContact CA-O 2.91Å; M2752-Y2809 HydrophobicContact CG-CD2 4.4Å |
| 2753 | D | 73.3 | Confident | 71.6 | Confident | 14 Ų | 14 | 31.8 Ų | 31.8 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113 | 168.4 | -172.4 | -4.1 | 0 | 0 | 0 | 108.7 | R2737 G2739 M2740 S2755 T2807 T2808 L2810 | R2737-D2753 IonicContact CZ-OD2 3.77Å; R2737-D2753 IonicContact NE-OD2 2.8Å; R2737-D2753 IonicContact NH2-OD2 3.07Å; R2737-D2753 PolarHBondContact NH2-OD2 2.94Å; G2739-D2753 CarbonylContact O-C 3.58Å; G2739-D2753 WeakPolarHBondContact O-CA 3.47Å; M2740-D2753 HydrophobicContact SD-CB 3.76Å; D2753-S2755 WeakPolarHBondContact OD1-CB 3.23Å; D2753-S2755 PolarHBondContact OD1-N 3.06Å; D2753-S2755 PolarHBondContact OD1-OG 3.1Å; D2753-T2807 WeakPolarHBondContact O-CA 3.15Å; D2753-T2808 WeakPolarHBondContact CB-OG1 3.49Å; D2753-T2808 PolarHBondContact N-O 3.5Å; D2753-T2808 PolarHBondContact O-N 2.75Å; D2753-T2808 VanDerWaalsContact O-N 3.08Å; D2753-L2810 HydrophobicContact CB-CD1 4.25Å |
| 2754 | I | 72.7 | Confident | 69.8 | Low | 10.5 Ų | 10.5 | 32.8 Ų | 32.8 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | trans | -102.8 | 8.1 | 176.6 | 66.1 | 158.2 | 0 | 0 | 0 | 111.8 | G2739 I2741 M2752 P2756 L2757 L2758 T2807 Y3071 | G2739-I2754 WeakPolarHBondContact O-CG1 2.98Å; G2739-I2754 PolarHBondContact O-N 3.21Å; I2741-I2754 HydrophobicContact CD1-CD1 3.47Å; I2741-I2754 VanDerWaalsContact CD1-CD1 3.47Å; I2741-I2754 HydrophobicContact CD1-CG1 3.99Å; I2741-I2754 HydrophobicContact CG1-CD1 4.3Å; I2741-I2754 HydrophobicContact CG1-CG1 4.31Å; I2741-I2754 HydrophobicContact CG2-CD1 4.39Å; I2741-I2754 HydrophobicContact CG2-CG1 4.2Å; I2741-I2754 HydrophobicContact CG2-CG2 3.92Å; M2752-I2754 HydrophobicContact CG-CG2 4.23Å; M2752-I2754 HydrophobicContact SD-CG2 4.27Å; I2754-P2756 VanDerWaalsContact C-N 3.25Å; I2754-L2757 HydrophobicContact CB-CD1 4.26Å; I2754-L2757 HydrophobicContact CG2-CD1 4.11Å; I2754-L2757 WeakPolarHBondContact O-CB 3.05Å; I2754-L2757 PolarHBondContact O-N 3.04Å; I2754-L2758 HydrophobicContact CD1-CD1 3.74Å; I2754-L2758 HydrophobicContact CD1-CD2 4.35Å; I2754-L2758 HydrophobicContact CD1-CG 4.12Å; I2754-L2758 HydrophobicContact CG1-CD1 3.87Å; I2754-L2758 HydrophobicContact CG1-CG 4.36Å; I2754-L2758 PolarHBondContact O-N 3.22Å; I2754-T2807 HydrophobicContact CG2-CG2 3.93Å; I2754-Y3071 HydrophobicContact CD1-CE1 3.93Å | ||
| 2755 | S | 67.2 | Low | 68 | Low | 35.5 Ų | 35.5 | 38.4 Ų | 38.4 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -48.5 | -41.4 | 175.5 | -53.1 | 0 | 0 | 0 | 0 | 113.5 | F2738 D2753 L2757 L2758 S2759 | F2738-S2755 PolarHBondContact O-OG 3.16Å; D2753-S2755 WeakPolarHBondContact OD1-CB 3.23Å; D2753-S2755 PolarHBondContact OD1-N 3.06Å; D2753-S2755 PolarHBondContact OD1-OG 3.1Å; S2755-L2757 PolarHBondContact O-N 3.13Å; S2755-L2758 PolarHBondContact O-N 3.01Å; S2755-L2758 VanDerWaalsContact O-N 3.12Å; S2755-S2759 PolarHBondContact O-N 2.76Å |
| 2756 | P | 61.7 | Low | 66.6 | Low | 33 Ų | 33 | 42 Ų | 42 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -21.1 | 178.2 | -20.4 | 33 | 0 | 0 | 0 | 114.6 | I2754 S2759 W2764 M2774 | I2754-P2756 VanDerWaalsContact C-N 3.25Å; P2756-S2759 PolarHBondContact O-OG 3.22Å; P2756-W2764 PolarHBondContact O-NE1 3.18Å; P2756-M2774 HydrophobicContact CB-CE 3.55Å; P2756-M2774 HydrophobicContact CB-SD 4.47Å; P2756-M2774 HydrophobicContact CG-CE 3.7Å |
| 2757 | L | 63.8 | Low | 65.6 | Low | 22.5 Ų | 22.5 | 41.5 Ų | 41.5 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -85.1 | -25.1 | 176.1 | -66.2 | 179 | 0 | 0 | 0 | 112.5 | V2720 I2754 S2755 L2791 G2806 T2807 | V2720-L2757 HydrophobicContact CG2-CD1 4.29Å; I2754-L2757 HydrophobicContact CB-CD1 4.26Å; I2754-L2757 HydrophobicContact CG2-CD1 4.11Å; I2754-L2757 WeakPolarHBondContact O-CB 3.05Å; I2754-L2757 PolarHBondContact O-N 3.04Å; S2755-L2757 PolarHBondContact O-N 3.13Å; L2757-L2791 HydrophobicContact CD1-CD1 3.45Å; L2757-L2791 VanDerWaalsContact CD1-CD1 3.45Å; L2757-L2791 HydrophobicContact CD2-CD1 3.66Å; L2757-L2791 HydrophobicContact CD2-CD2 3.57Å; L2757-L2791 HydrophobicContact CD2-CG 4.25Å; L2757-L2791 HydrophobicContact CG-CD1 4.18Å; L2757-G2806 WeakPolarHBondContact CG-O 3.24Å; L2757-T2807 HydrophobicContact CD1-CG2 3.73Å |
| 2758 | L | 63.4 | Low | 64.7 | Low | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -95 | -11.6 | -173 | -69 | 174.6 | 0 | 0 | 0 | 112.9 | F2718 F2738 I2754 S2755 R3069 Y3071 L3081 | F2718-L2758 HydrophobicContact CB-CD2 4.3Å; F2718-L2758 HydrophobicContact CD2-CD2 3.84Å; F2718-L2758 HydrophobicContact CG-CD2 4.31Å; F2738-L2758 HydrophobicContact CD1-CB 4.39Å; F2738-L2758 HydrophobicContact CD1-CD1 4.29Å; F2738-L2758 HydrophobicContact CE1-CB 3.46Å; F2738-L2758 VanDerWaalsContact CE1-CB 3.46Å; F2738-L2758 HydrophobicContact CE1-CD1 3.82Å; F2738-L2758 HydrophobicContact CE1-CG 4.27Å; F2738-L2758 HydrophobicContact CE2-CD1 4.32Å; F2738-L2758 HydrophobicContact CZ-CB 3.83Å; F2738-L2758 HydrophobicContact CZ-CD1 3.85Å; F2738-L2758 HydrophobicContact CZ-CG 4.36Å; I2754-L2758 HydrophobicContact CD1-CD1 3.74Å; I2754-L2758 HydrophobicContact CD1-CD2 4.35Å; I2754-L2758 HydrophobicContact CD1-CG 4.12Å; I2754-L2758 HydrophobicContact CG1-CD1 3.87Å; I2754-L2758 HydrophobicContact CG1-CG 4.36Å; I2754-L2758 PolarHBondContact O-N 3.22Å; S2755-L2758 PolarHBondContact O-N 3.01Å; S2755-L2758 VanDerWaalsContact O-N 3.12Å; L2758-R3069 PolarHBondContact O-NH1 2.9Å; L2758-R3069 PolarHBondContact O-NH2 2.85Å; L2758-Y3071 WeakPolarHBondContact CD2-OH 3.43Å; L2758-L3081 HydrophobicContact CD2-CD1 3.89Å; L2758-L3081 HydrophobicContact CD2-CD2 3.38Å; L2758-L3081 HydrophobicContact CD2-CG 4.27Å; L2758-L3081 HydrophobicContact CG-CD2 4.39Å |
| 2759 | S | 58.7 | Low | 63.6 | Low | 42.5 Ų | 42.5 | 37.2 Ų | 37.2 | 30% | 0.297 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -61 | 130.1 | 174.2 | 52.1 | 0 | 0 | 0 | 0 | 109.4 | S2755 P2756 N2761 A2762 | S2755-S2759 PolarHBondContact O-N 2.76Å; P2756-S2759 PolarHBondContact O-OG 3.22Å; S2759-N2761 PolarHBondContact O-N 3.24Å; S2759-A2762 PolarHBondContact O-N 3.3Å |
| 2760 | P | 51.4 | Low | 62.4 | Low | 122.5 Ų | 122.5 | 38.4 Ų | 38.4 | 80% | 0.795 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -57.2 | -22.4 | 179 | 22.3 | -31.9 | 0 | 0 | 0 | 112.4 | A2762 | P2760-A2762 VanDerWaalsContact C-N 3.31Å; P2760-A2762 PolarHBondContact O-N 3.02Å |
| 2761 | N | 49.6 | Very low | 61.1 | Low | 60 Ų | 60 | 41.3 Ų | 41.3 | 32% | 0.321 | 25% | 0.245 | S | C | . | . | trans | -96.5 | 46.8 | 175.9 | -57.1 | -3.9 | 0 | 0 | 0 | 111.5 | E2623 S2759 D2763 | E2623-N2761 PolarHBondContact OE1-ND2 3.43Å; E2623-N2761 PolarHBondContact OE2-ND2 3.22Å; S2759-N2761 PolarHBondContact O-N 3.24Å; N2761-D2763 PolarHBondContact O-N 3.18Å | ||
| 2762 | A | 49.7 | Very low | 60.1 | Low | 27.5 Ų | 27.5 | 43.8 Ų | 43.8 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -65.9 | 25.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S2759 P2760 W2764 L2765 | S2759-A2762 PolarHBondContact O-N 3.3Å; P2760-A2762 VanDerWaalsContact C-N 3.31Å; P2760-A2762 PolarHBondContact O-N 3.02Å; A2762-W2764 PolarHBondContact O-N 2.95Å; A2762-W2764 VanDerWaalsContact O-N 3.12Å; A2762-L2765 PolarHBondContact O-N 3.18Å |
| 2763 | D | 50.3 | Low | 59.4 | Low | 60.5 Ų | 60.5 | 44.6 Ų | 44.6 | 32% | 0.324 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -65.9 | -5 | 168.6 | -79.8 | -17.4 | 0 | 0 | 0 | 112.4 | N2761 L2765 S2766 D2767 | N2761-D2763 PolarHBondContact O-N 3.18Å; D2763-L2765 PolarHBondContact O-N 3.05Å; D2763-L2765 VanDerWaalsContact O-N 3.1Å; D2763-S2766 VanDerWaalsContact CA-OG 3.3Å; D2763-S2766 WeakPolarHBondContact CA-OG 3.26Å; D2763-S2766 VanDerWaalsContact CB-OG 3.31Å; D2763-S2766 WeakPolarHBondContact CB-OG 3.24Å; D2763-S2766 VanDerWaalsContact CG-OG 3.28Å; D2763-S2766 CarbonylContact O-C 3.53Å; D2763-S2766 WeakPolarHBondContact O-CA 3.27Å; D2763-S2766 PolarHBondContact O-N 2.9Å; D2763-S2766 PolarHBondContact O-OG 3.14Å; D2763-S2766 PolarHBondContact OD1-OG 2.82Å; D2763-D2767 PolarHBondContact O-N 3.2Å |
| 2764 | W | 52.4 | Low | 58.7 | Low | 30 Ų | 30 | 47.6 Ų | 47.6 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -58.3 | -21 | 171.3 | 66.3 | -98.7 | 0 | 0 | 0 | 112.8 | P2756 A2762 S2766 E2770 L2771 M2774 R2805 | P2756-W2764 PolarHBondContact O-NE1 3.18Å; A2762-W2764 PolarHBondContact O-N 2.95Å; A2762-W2764 VanDerWaalsContact O-N 3.12Å; W2764-S2766 VanDerWaalsContact C-N 3.32Å; W2764-E2770 HydrophobicContact CB-CB 3.85Å; W2764-L2771 HydrophobicContact CE3-CD1 3.7Å; W2764-L2771 HydrophobicContact CZ3-CD1 4.01Å; W2764-L2771 WeakPolarHBondContact O-CB 2.9Å; W2764-M2774 HydrophobicContact CB-SD 4.2Å; W2764-M2774 HydrophobicContact CD2-SD 4.22Å; W2764-M2774 HydrophobicContact CG-SD 4.1Å; W2764-R2805 HydrophobicContact CH2-CB 3.7Å; W2764-R2805 VanDerWaalsContact CH2-O 3.29Å; W2764-R2805 WeakPolarHBondContact CH2-O 3.21Å; W2764-R2805 HydrophobicContact CZ3-CB 4.01Å |
| 2765 | L | 50.3 | Low | 57.9 | Low | 117 Ų | 117 | 50.8 Ų | 50.8 | 61% | 0.613 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -73 | -26.7 | 170.6 | -121 | 117.6 | 0 | 0 | 0 | 112.7 | A2762 D2763 | A2762-L2765 PolarHBondContact O-N 3.18Å; D2763-L2765 PolarHBondContact O-N 3.05Å; D2763-L2765 VanDerWaalsContact O-N 3.1Å |
| 2766 | S | 52.2 | Low | 57.4 | Low | 79.5 Ų | 79.5 | 53.3 Ų | 53.3 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -31.1 | -176.7 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | D2763 W2764 | D2763-S2766 VanDerWaalsContact CA-OG 3.3Å; D2763-S2766 WeakPolarHBondContact CA-OG 3.26Å; D2763-S2766 VanDerWaalsContact CB-OG 3.31Å; D2763-S2766 WeakPolarHBondContact CB-OG 3.24Å; D2763-S2766 VanDerWaalsContact CG-OG 3.28Å; D2763-S2766 CarbonylContact O-C 3.53Å; D2763-S2766 WeakPolarHBondContact O-CA 3.27Å; D2763-S2766 PolarHBondContact O-N 2.9Å; D2763-S2766 PolarHBondContact O-OG 3.14Å; D2763-S2766 PolarHBondContact OD1-OG 2.82Å; W2764-S2766 VanDerWaalsContact C-N 3.32Å |
| 2767 | D | 57.5 | Low | 56.9 | Low | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | trans | -101.4 | 113.4 | -178.6 | -165 | -26.4 | 0 | 0 | 0 | 110.7 | K2695 S2696 D2763 T2769 E2770 L2771 | K2695-D2767 WeakPolarHBondContact CG-OD2 3.19Å; S2696-D2767 PolarHBondContact N-OD2 3.47Å; D2763-D2767 PolarHBondContact O-N 3.2Å; D2767-T2769 PolarHBondContact O-N 3.14Å; D2767-T2769 VanDerWaalsContact O-N 3.17Å; D2767-T2769 WeakPolarHBondContact OD1-CB 3.45Å; D2767-T2769 PolarHBondContact OD1-N 2.96Å; D2767-T2769 PolarHBondContact OD1-OG1 3.05Å; D2767-T2769 PolarHBondContact OD2-OG1 3.02Å; D2767-E2770 HydrophobicContact CB-CG 4.48Å; D2767-E2770 PolarHBondContact O-N 3.1Å; D2767-L2771 PolarHBondContact O-N 3.11Å | ||
| 2768 | P | 62.6 | Low | 56.2 | Low | 76.5 Ų | 76.5 | 56.5 Ų | 56.5 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -27.1 | 179.3 | 25.5 | -34.7 | 0 | 0 | 0 | 112.8 | L2771 E2772 | P2768-L2771 PolarHBondContact O-N 3.34Å; P2768-E2772 WeakPolarHBondContact O-CB 3.1Å; P2768-E2772 VanDerWaalsContact O-CG 3.25Å; P2768-E2772 WeakPolarHBondContact O-CG 3.35Å; P2768-E2772 PolarHBondContact O-N 3.16Å |
| 2769 | T | 62.4 | Low | 55.4 | Low | 4.5 Ų | 4.5 | 64.7 Ų | 64.7 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.4 | -42.6 | -178.8 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | R2650 F2694 D2767 E2772 L2773 | R2650-T2769 VanDerWaalsContact CZ-CG2 3.42Å; F2694-T2769 HydrophobicContact CB-CG2 3.98Å; F2694-T2769 WeakPolarHBondContact O-CG2 3.48Å; D2767-T2769 PolarHBondContact O-N 3.14Å; D2767-T2769 VanDerWaalsContact O-N 3.17Å; D2767-T2769 WeakPolarHBondContact OD1-CB 3.45Å; D2767-T2769 PolarHBondContact OD1-N 2.96Å; D2767-T2769 PolarHBondContact OD1-OG1 3.05Å; D2767-T2769 PolarHBondContact OD2-OG1 3.02Å; T2769-E2772 PolarHBondContact O-N 3.11Å; T2769-L2773 WeakPolarHBondContact O-CG 3.03Å; T2769-L2773 PolarHBondContact O-N 3.23Å |
| 2770 | E | 60.9 | Low | 54.7 | Low | 25 Ų | 25 | 70.6 Ų | 70.6 | 12% | 0.117 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 175.9 | -72.5 | -115 | 164.7 | 0 | 0 | 111.3 | R2691 W2764 D2767 E2772 L2773 M2774 | R2691-E2770 WeakPolarHBondContact CG-OE1 2.94Å; R2691-E2770 IonicContact CZ-OE1 2.7Å; R2691-E2770 IonicContact CZ-OE2 3.72Å; R2691-E2770 IonicContact NE-OE1 3.4Å; R2691-E2770 PolarHBondContact NE-OE1 3.42Å; R2691-E2770 IonicContact NE-OE2 3.58Å; R2691-E2770 PolarHBondContact NE-OE2 3.24Å; R2691-E2770 IonicContact NH2-OE1 2.81Å; R2691-E2770 IonicContact NH2-OE2 2.97Å; R2691-E2770 PolarHBondContact NH2-OE2 2.87Å; W2764-E2770 HydrophobicContact CB-CB 3.85Å; D2767-E2770 HydrophobicContact CB-CG 4.48Å; D2767-E2770 PolarHBondContact O-N 3.1Å; E2770-E2772 VanDerWaalsContact C-N 3.35Å; E2770-E2772 PolarHBondContact O-N 3.27Å; E2770-L2773 PolarHBondContact O-N 3.12Å; E2770-M2774 WeakPolarHBondContact O-CB 3.27Å; E2770-M2774 WeakPolarHBondContact O-CG 3.36Å; E2770-M2774 PolarHBondContact O-N 3.23Å |
| 2771 | L | 59.5 | Low | 54.1 | Low | 63 Ų | 63 | 68.9 Ų | 68.9 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 173.8 | -174.4 | 69.1 | 0 | 0 | 0 | 111.5 | W2764 D2767 P2768 M2774 M2775 | W2764-L2771 HydrophobicContact CE3-CD1 3.7Å; W2764-L2771 HydrophobicContact CZ3-CD1 4.01Å; W2764-L2771 WeakPolarHBondContact O-CB 2.9Å; D2767-L2771 PolarHBondContact O-N 3.11Å; P2768-L2771 PolarHBondContact O-N 3.34Å; L2771-M2774 PolarHBondContact O-N 3.37Å; L2771-M2775 VanDerWaalsContact O-CG 3.22Å; L2771-M2775 WeakPolarHBondContact O-CG 3.43Å; L2771-M2775 PolarHBondContact O-N 3.21Å |
| 2772 | E | 63.3 | Low | 54.1 | Low | 53 Ų | 53 | 69.6 Ų | 69.6 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.8 | -78 | -179.3 | 179.3 | 0 | 0 | 111.9 | S2647 R2650 F2651 P2768 T2769 E2770 M2774 M2775 T2776 | S2647-E2772 WeakPolarHBondContact CB-OE2 3.34Å; R2650-E2772 IonicContact NH1-OE2 2.68Å; F2651-E2772 WeakPolarHBondContact CZ-OE2 3.39Å; P2768-E2772 WeakPolarHBondContact O-CB 3.1Å; P2768-E2772 VanDerWaalsContact O-CG 3.25Å; P2768-E2772 WeakPolarHBondContact O-CG 3.35Å; P2768-E2772 PolarHBondContact O-N 3.16Å; T2769-E2772 PolarHBondContact O-N 3.11Å; E2770-E2772 VanDerWaalsContact C-N 3.35Å; E2770-E2772 PolarHBondContact O-N 3.27Å; E2772-M2774 VanDerWaalsContact C-N 3.31Å; E2772-M2774 PolarHBondContact O-N 3.15Å; E2772-M2775 HydrophobicContact CG-CE 4.34Å; E2772-M2775 WeakPolarHBondContact O-CB 3.5Å; E2772-M2775 PolarHBondContact O-N 3.27Å; E2772-M2775 VanDerWaalsContact O-N 3.11Å; E2772-T2776 WeakPolarHBondContact O-CG2 3.32Å; E2772-T2776 PolarHBondContact O-N 3.39Å |
| 2773 | L | 63.9 | Low | 53.7 | Low | 26 Ų | 26 | 74.5 Ų | 74.5 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.4 | -96.2 | 153.9 | 0 | 0 | 0 | 111.4 | D2687 I2690 R2691 T2769 E2770 M2775 T2776 | D2687-L2773 HydrophobicContact CB-CD2 3.97Å; I2690-L2773 HydrophobicContact CB-CD1 4.12Å; I2690-L2773 HydrophobicContact CD1-CD2 4.47Å; I2690-L2773 HydrophobicContact CG2-CD1 3.83Å; I2690-L2773 HydrophobicContact CG2-CD2 4.4Å; I2690-L2773 HydrophobicContact CG2-CG 4.45Å; R2691-L2773 HydrophobicContact CB-CD1 4.34Å; R2691-L2773 HydrophobicContact CG-CD1 3.77Å; T2769-L2773 WeakPolarHBondContact O-CG 3.03Å; T2769-L2773 PolarHBondContact O-N 3.23Å; E2770-L2773 PolarHBondContact O-N 3.12Å; L2773-M2775 VanDerWaalsContact C-N 3.32Å; L2773-M2775 PolarHBondContact O-N 2.83Å; L2773-T2776 PolarHBondContact O-N 3.14Å; L2773-T2776 PolarHBondContact O-OG1 3.09Å |
| 2774 | M | 58.8 | Low | 53.5 | Low | 76 Ų | 76 | 76.3 Ų | 76.3 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.7 | -103.9 | -163.4 | 95.3 | 0 | 0 | 112.5 | P2756 W2764 E2770 L2771 E2772 T2776 G2777 | P2756-M2774 HydrophobicContact CB-CE 3.55Å; P2756-M2774 HydrophobicContact CB-SD 4.47Å; P2756-M2774 HydrophobicContact CG-CE 3.7Å; W2764-M2774 HydrophobicContact CB-SD 4.2Å; W2764-M2774 HydrophobicContact CD2-SD 4.22Å; W2764-M2774 HydrophobicContact CG-SD 4.1Å; E2770-M2774 WeakPolarHBondContact O-CB 3.27Å; E2770-M2774 WeakPolarHBondContact O-CG 3.36Å; E2770-M2774 PolarHBondContact O-N 3.23Å; L2771-M2774 PolarHBondContact O-N 3.37Å; E2772-M2774 VanDerWaalsContact C-N 3.31Å; E2772-M2774 PolarHBondContact O-N 3.15Å; M2774-T2776 VanDerWaalsContact C-N 3.35Å; M2774-T2776 PolarHBondContact O-N 3.16Å; M2774-G2777 PolarHBondContact O-N 2.72Å |
| 2775 | M | 55.7 | Low | 53.2 | Low | 78 Ų | 78 | 80.8 Ų | 80.8 | 38% | 0.384 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.7 | -31.7 | 177.5 | -69.7 | -113 | -67.3 | 0 | 0 | 112.9 | L2771 E2772 L2773 G2777 L2778 | L2771-M2775 VanDerWaalsContact O-CG 3.22Å; L2771-M2775 WeakPolarHBondContact O-CG 3.43Å; L2771-M2775 PolarHBondContact O-N 3.21Å; E2772-M2775 HydrophobicContact CG-CE 4.34Å; E2772-M2775 WeakPolarHBondContact O-CB 3.5Å; E2772-M2775 PolarHBondContact O-N 3.27Å; E2772-M2775 VanDerWaalsContact O-N 3.11Å; L2773-M2775 VanDerWaalsContact C-N 3.32Å; L2773-M2775 PolarHBondContact O-N 2.83Å; M2775-G2777 VanDerWaalsContact C-N 3.25Å; M2775-G2777 PolarHBondContact O-N 3.26Å; M2775-L2778 PolarHBondContact O-N 3.02Å; M2775-L2778 VanDerWaalsContact O-N 3.13Å; M2775-L2778 HydrophobicContact SD-CD1 4.32Å |
| 2776 | T | 57.2 | Low | 53.1 | Low | 89 Ų | 89 | 80.1 Ų | 80.1 | 55% | 0.546 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.4 | -28.8 | 179.2 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | L2648 E2772 L2773 M2774 L2778 | L2648-T2776 HydrophobicContact CD2-CG2 4.3Å; E2772-T2776 WeakPolarHBondContact O-CG2 3.32Å; E2772-T2776 PolarHBondContact O-N 3.39Å; L2773-T2776 PolarHBondContact O-N 3.14Å; L2773-T2776 PolarHBondContact O-OG1 3.09Å; M2774-T2776 VanDerWaalsContact C-N 3.35Å; M2774-T2776 PolarHBondContact O-N 3.16Å; T2776-L2778 VanDerWaalsContact C-N 3.3Å; T2776-L2778 PolarHBondContact O-N 3.17Å |
| 2777 | G | 51.6 | Low | 52.8 | Low | 67 Ų | 67 | 81.1 Ų | 81.1 | 69% | 0.691 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M2774 M2775 K2779 | M2774-G2777 PolarHBondContact O-N 2.72Å; M2775-G2777 VanDerWaalsContact C-N 3.25Å; M2775-G2777 PolarHBondContact O-N 3.26Å; G2777-K2779 PolarHBondContact O-N 3.15Å |
| 2778 | L | 49.6 | Very low | 52.3 | Low | 54 Ų | 54 | 85.6 Ų | 85.6 | 28% | 0.283 | 46% | 0.464 | S | S | . | . | trans | -93.2 | 104.4 | -177.1 | -68.5 | 166.5 | 0 | 0 | 0 | 109.9 | M2775 T2776 K2780 P2782 V2792 T2808 | M2775-L2778 PolarHBondContact O-N 3.02Å; M2775-L2778 VanDerWaalsContact O-N 3.13Å; M2775-L2778 HydrophobicContact SD-CD1 4.32Å; T2776-L2778 VanDerWaalsContact C-N 3.3Å; T2776-L2778 PolarHBondContact O-N 3.17Å; L2778-K2780 PolarHBondContact O-N 3.23Å; L2778-K2780 VanDerWaalsContact O-N 3.14Å; L2778-P2782 HydrophobicContact CD1-CG 4.06Å; L2778-V2792 HydrophobicContact CD1-CG2 4.17Å; L2778-V2792 HydrophobicContact CD2-CG1 3.87Å; L2778-V2792 HydrophobicContact CD2-CG2 4.4Å; L2778-T2808 HydrophobicContact CD2-CG2 3.64Å | ||
| 2779 | K | 46 | Very low | 51.6 | Low | 196.5 Ų | 196.5 | 86.7 Ų | 86.7 | 85% | 0.854 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -59.3 | 50.6 | 174 | -75.4 | -173.5 | 175.9 | -179.1 | 0 | 112.1 | G2777 | G2777-K2779 PolarHBondContact O-N 3.15Š|
| 2780 | K | 43.9 | Very low | 50.9 | Low | 166 Ų | 166 | 90.2 Ų | 90.2 | 72% | 0.722 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -90.8 | 135.2 | 171.1 | -96.1 | -172.4 | 168.7 | -162.6 | 0 | 109.3 | L2778 P2782 D2785 | L2778-K2780 PolarHBondContact O-N 3.23Å; L2778-K2780 VanDerWaalsContact O-N 3.14Å; K2780-P2782 WeakPolarHBondContact O-CD 3.18Å; K2780-P2782 VanDerWaalsContact O-N 3.07Å; K2780-D2785 IonicContact NZ-OD2 2.82Å; K2780-D2785 PolarHBondContact NZ-OD2 3.29Å |
| 2781 | N | 39.4 | Very low | 50.1 | Low | 86 Ų | 86 | 92.7 Ų | 92.7 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 114.3 | 171.4 | -120.5 | -17 | 0 | 0 | 0 | 108.6 | L2783 V2784 | N2781-L2783 PolarHBondContact O-N 3.09Å; N2781-L2783 VanDerWaalsContact O-N 3.08Å; N2781-V2784 HydrophobicContact CB-CG2 4.27Å; N2781-V2784 PolarHBondContact O-N 2.79Å |
| 2782 | P | 48.3 | Very low | 49.4 | Very low | 76 Ų | 76 | 92.3 Ų | 92.3 | 49% | 0.494 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.3 | -178.4 | 27.3 | -34.9 | 0 | 0 | 0 | 113.1 | L2778 K2780 V2784 N2786 | L2778-P2782 HydrophobicContact CD1-CG 4.06Å; K2780-P2782 WeakPolarHBondContact O-CD 3.18Å; K2780-P2782 VanDerWaalsContact O-N 3.07Å; P2782-V2784 VanDerWaalsContact C-N 3.27Å; P2782-V2784 PolarHBondContact O-N 3.36Å; P2782-N2786 PolarHBondContact O-N 3.38Å |
| 2783 | L | 42.4 | Very low | 48.4 | Very low | 130 Ų | 130 | 93.3 Ų | 93.3 | 68% | 0.681 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13.1 | -178 | -69.9 | 167.5 | 0 | 0 | 0 | 114.8 | N2781 | N2781-L2783 PolarHBondContact O-N 3.09Å; N2781-L2783 VanDerWaalsContact O-N 3.08Å |
| 2784 | V | 46.3 | Very low | 47.2 | Very low | 98.5 Ų | 98.5 | 95 Ų | 95 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -123 | 44.7 | -176.3 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | N2781 P2782 | N2781-V2784 HydrophobicContact CB-CG2 4.27Å; N2781-V2784 PolarHBondContact O-N 2.79Å; P2782-V2784 VanDerWaalsContact C-N 3.27Å; P2782-V2784 PolarHBondContact O-N 3.36Å |
| 2785 | D | 46 | Very low | 46.2 | Very low | 124 Ų | 124 | 98.2 Ų | 98.2 | 66% | 0.663 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -102.3 | -8.1 | -172.2 | -117.5 | 2.2 | 0 | 0 | 0 | 114.3 | K2780 | K2780-D2785 IonicContact NZ-OD2 2.82Å; K2780-D2785 PolarHBondContact NZ-OD2 3.29Å |
| 2786 | N | 46.7 | Very low | 45.3 | Very low | 102.5 Ų | 102.5 | 101.5 Ų | 101.5 | 55% | 0.548 | 55% | 0.545 | S | S | . | . | trans | -131.9 | 53.8 | -165.9 | -82.7 | -20.9 | 0 | 0 | 0 | 115.5 | P2782 | P2782-N2786 PolarHBondContact O-N 3.38Š| ||
| 2787 | D | 45.9 | Very low | 44.3 | Very low | 101 Ų | 101 | 105.6 Ų | 105.6 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | trans | -100.3 | 55.2 | 176.4 | -87.9 | -18.3 | 0 | 0 | 0 | 112.7 | R2723 Y2789 | R2723-D2787 WeakPolarHBondContact CD-O 3.46Å; R2723-D2787 VanDerWaalsContact CG-O 3.25Å; R2723-D2787 WeakPolarHBondContact CG-O 3.48Å; R2723-D2787 IonicContact CZ-OD1 3.61Å; R2723-D2787 PolarHBondContact NE-O 3.32Å; R2723-D2787 VanDerWaalsContact NH1-CB 3.32Å; R2723-D2787 PolarHBondContact NH1-O 3.35Å; R2723-D2787 VanDerWaalsContact NH1-O 3.1Å; R2723-D2787 IonicContact NH1-OD1 3.72Å; R2723-D2787 PolarHBondContact NH1-OD1 2.85Å; R2723-D2787 IonicContact NH1-OD2 3.14Å; R2723-D2787 PolarHBondContact NH1-OD2 3.31Å; R2723-D2787 IonicContact NH2-OD1 2.72Å; R2723-D2787 PolarHBondContact NH2-OD1 3.15Å; D2787-Y2789 PolarHBondContact O-N 3.42Å | ||
| 2788 | D | 47.6 | Very low | 43.5 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -76.3 | -0.6 | 175.1 | -72.5 | -15.8 | 0 | 0 | 0 | 113.4 | R2723 K2812 | R2723-D2788 WeakPolarHBondContact CB-O 3.36Å; R2723-D2788 WeakPolarHBondContact CG-O 3.3Å; R2723-D2788 PolarHBondContact N-O 3.09Å; D2788-K2812 IonicContact OD2-NZ 2.68Å; D2788-K2812 PolarHBondContact OD2-NZ 2.98Å |
| 2789 | Y | 48.3 | Very low | 42.7 | Very low | 100 Ų | 100 | 111.6 Ų | 111.6 | 39% | 0.392 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.5 | -179.9 | -61.1 | -82.3 | 0 | 0 | 0 | 112.2 | V2720 I2721 Q2722 Q2750 M2752 D2787 L2791 | V2720-Y2789 HydrophobicContact CG1-CD1 3.92Å; V2720-Y2789 HydrophobicContact CG1-CG 4.18Å; I2721-Y2789 CarbonylContact O-C 3.53Å; I2721-Y2789 VanDerWaalsContact O-CA 3.24Å; I2721-Y2789 WeakPolarHBondContact O-CA 3.13Å; Q2722-Y2789 HydrophobicContact CB-CD1 3.98Å; Q2722-Y2789 HydrophobicContact CB-CE1 3.66Å; Q2722-Y2789 HydrophobicContact CG-CD1 4.29Å; Q2722-Y2789 HydrophobicContact CG-CE1 3.73Å; Q2750-Y2789 PolarHBondContact NE2-OH 3.31Å; Q2750-Y2789 PolarHBondContact OE1-OH 2.95Å; M2752-Y2789 HydrophobicContact CE-CD2 3.52Å; M2752-Y2789 HydrophobicContact CE-CE2 3.76Å; M2752-Y2789 HydrophobicContact CE-CG 4.04Å; M2752-Y2789 HydrophobicContact SD-CD2 3.92Å; M2752-Y2789 HydrophobicContact SD-CE2 3.48Å; M2752-Y2789 WeakPolarHBondContact SD-CE2 3.28Å; D2787-Y2789 PolarHBondContact O-N 3.42Å; Y2789-L2791 PolarHBondContact O-N 3.11Å |
| 2790 | L | 47.2 | Very low | 42.1 | Very low | 77.5 Ų | 77.5 | 106.1 Ų | 106.1 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 104.6 | 176.6 | -92 | 153.2 | 0 | 0 | 0 | 110.1 | I2721 R2723 V2792 L2801 | I2721-L2790 HydrophobicContact CB-CB 4.16Å; I2721-L2790 PolarHBondContact N-O 3.01Å; I2721-L2790 PolarHBondContact O-N 2.95Å; R2723-L2790 HydrophobicContact CG-CD1 4.02Å; R2723-L2790 HydrophobicContact CG-CG 4.36Å; L2790-V2792 HydrophobicContact CD2-CG2 3.97Å; L2790-L2801 HydrophobicContact CD2-CD2 3.76Å |
| 2791 | L | 44.5 | Very low | 41.6 | Very low | 77.5 Ų | 77.5 | 104.6 Ų | 104.6 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 102.4 | 165.8 | -128.7 | 115 | 0 | 0 | 0 | 108.7 | V2720 L2757 Y2789 N2793 T2807 | V2720-L2791 HydrophobicContact CG2-CD1 4.14Å; L2757-L2791 HydrophobicContact CD1-CD1 3.45Å; L2757-L2791 VanDerWaalsContact CD1-CD1 3.45Å; L2757-L2791 HydrophobicContact CD2-CD1 3.66Å; L2757-L2791 HydrophobicContact CD2-CD2 3.57Å; L2757-L2791 HydrophobicContact CD2-CG 4.25Å; L2757-L2791 HydrophobicContact CG-CD1 4.18Å; Y2789-L2791 PolarHBondContact O-N 3.11Å; L2791-N2793 VanDerWaalsContact C-N 3.28Å; L2791-N2793 PolarHBondContact O-N 3.35Å; L2791-T2807 HydrophobicContact CD1-CG2 4Å |
| 2792 | V | 44.3 | Very low | 41.8 | Very low | 55 Ų | 55 | 102.3 Ų | 102.3 | 33% | 0.333 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 102.6 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | K2719 I2721 L2778 L2790 A2794 | K2719-V2792 HydrophobicContact CB-CB 4.5Å; K2719-V2792 PolarHBondContact N-O 3.38Å; K2719-V2792 PolarHBondContact O-N 2.89Å; I2721-V2792 HydrophobicContact CD1-CG2 3.94Å; L2778-V2792 HydrophobicContact CD1-CG2 4.17Å; L2778-V2792 HydrophobicContact CD2-CG1 3.87Å; L2778-V2792 HydrophobicContact CD2-CG2 4.4Å; L2790-V2792 HydrophobicContact CD2-CG2 3.97Å; V2792-A2794 PolarHBondContact O-N 3.34Å |
| 2793 | N | 42.9 | Very low | 41.4 | Very low | 73 Ų | 73 | 101.7 Ų | 101.7 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | trans | -79.6 | 136.6 | 169.4 | -120.3 | -11 | 0 | 0 | 0 | 109.5 | L2791 Q2795 | L2791-N2793 VanDerWaalsContact C-N 3.28Å; L2791-N2793 PolarHBondContact O-N 3.35Å; N2793-Q2795 VanDerWaalsContact C-N 3.29Å; N2793-Q2795 PolarHBondContact O-N 3Å | ||
| 2794 | A | 38.8 | Very low | 41.6 | Very low | 62 Ų | 62 | 96.5 Ų | 96.5 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | E2716 V2792 E2796 | E2716-A2794 HydrophobicContact CB-CB 4.06Å; E2716-A2794 HydrophobicContact CG-CB 4.19Å; V2792-A2794 PolarHBondContact O-N 3.34Å; A2794-E2796 VanDerWaalsContact C-N 3.3Å; A2794-E2796 PolarHBondContact O-N 3.2Å |
| 2795 | Q | 36.8 | Very low | 41.9 | Very low | 143 Ų | 143 | 98.6 Ų | 98.6 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 57.3 | 179.6 | -74.8 | -118.2 | -37 | 0 | 0 | 112.3 | E2716 N2793 K2797 | E2716-Q2795 VanDerWaalsContact OE2-CG 3.31Å; E2716-Q2795 WeakPolarHBondContact OE2-CG 3.35Å; N2793-Q2795 VanDerWaalsContact C-N 3.29Å; N2793-Q2795 PolarHBondContact O-N 3Å; Q2795-K2797 VanDerWaalsContact C-N 3.32Å; Q2795-K2797 PolarHBondContact O-N 3.35Å |
| 2796 | E | 38 | Very low | 42.2 | Very low | 147.5 Ų | 147.5 | 92.8 Ų | 92.8 | 69% | 0.689 | 49% | 0.492 | S | S | * | . | trans | -85.5 | 85 | 177.4 | -70.9 | -178.3 | 156.2 | 0 | 0 | 111.2 | A2794 Q2798 T2800 | A2794-E2796 VanDerWaalsContact C-N 3.3Å; A2794-E2796 PolarHBondContact O-N 3.2Å; E2796-Q2798 PolarHBondContact O-N 2.84Å; E2796-Q2798 VanDerWaalsContact O-N 3.09Å; E2796-T2800 WeakPolarHBondContact OE2-CB 3.44Å | ||
| 2797 | K | 36 | Very low | 42.7 | Very low | 176 Ų | 176 | 89 Ų | 89 | 77% | 0.765 | 47% | 0.472 | S | S | * | . | trans | -89.4 | 54 | 161.1 | -83.6 | -174.1 | 175.9 | 177.3 | 0 | 111.4 | Q2795 G2799 | Q2795-K2797 VanDerWaalsContact C-N 3.32Å; Q2795-K2797 PolarHBondContact O-N 3.35Å; K2797-G2799 VanDerWaalsContact C-N 3.29Å; K2797-G2799 PolarHBondContact O-N 3.14Å | ||
| 2798 | Q | 34.5 | Very low | 43.3 | Very low | 184 Ų | 184 | 86.1 Ų | 86.1 | 86% | 0.86 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.8 | 68 | 171.5 | -69.2 | -179.5 | -15.2 | 0 | 0 | 112.4 | E2796 T2800 | E2796-Q2798 PolarHBondContact O-N 2.84Å; E2796-Q2798 VanDerWaalsContact O-N 3.09Å; Q2798-T2800 PolarHBondContact O-N 2.8Å; Q2798-T2800 PolarHBondContact O-OG1 3.49Å |
| 2799 | G | 33.1 | Very low | 44.1 | Very low | 62 Ų | 62 | 84.2 Ų | 84.2 | 64% | 0.639 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -6.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | K2797 L2801 | K2797-G2799 VanDerWaalsContact C-N 3.29Å; K2797-G2799 PolarHBondContact O-N 3.14Å; G2799-L2801 PolarHBondContact O-N 2.82Å |
| 2800 | T | 33.3 | Very low | 45 | Very low | 82.5 Ų | 82.5 | 82.9 Ų | 82.9 | 51% | 0.506 | 44% | 0.443 | S | S | . | . | trans | -95.2 | 101 | -174.6 | 4.3 | 0 | 0 | 0 | 0 | 111.3 | E2796 Q2798 V2802 | E2796-T2800 WeakPolarHBondContact OE2-CB 3.44Å; Q2798-T2800 PolarHBondContact O-N 2.8Å; Q2798-T2800 PolarHBondContact O-OG1 3.49Å; T2800-V2802 PolarHBondContact O-N 2.81Å; T2800-V2802 VanDerWaalsContact O-N 3.09Å | ||
| 2801 | L | 34.2 | Very low | 46.4 | Very low | 134 Ų | 134 | 80.1 Ų | 80.1 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | trans | -69.8 | 100.8 | 175.8 | -77.2 | 153.4 | 0 | 0 | 0 | 109.1 | L2790 G2799 T2803 | L2790-L2801 HydrophobicContact CD2-CD2 3.76Å; G2799-L2801 PolarHBondContact O-N 2.82Å; L2801-T2803 PolarHBondContact O-N 2.88Å | ||
| 2802 | V | 42.5 | Very low | 48 | Very low | 38 Ų | 38 | 80.8 Ų | 80.8 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | trans | -79.8 | 96.3 | 169.2 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | T2800 G2804 R2805 | T2800-V2802 PolarHBondContact O-N 2.81Å; T2800-V2802 VanDerWaalsContact O-N 3.09Å; V2802-G2804 PolarHBondContact O-N 3.07Å; V2802-R2805 HydrophobicContact CG1-CB 4.18Å; V2802-R2805 HydrophobicContact CG1-CG 3.86Å | ||
| 2803 | T | 39.9 | Very low | 49.8 | Very low | 62 Ų | 62 | 78.6 Ų | 78.6 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 112.3 | 174.8 | 52 | 0 | 0 | 0 | 0 | 110.7 | L2801 R2805 | L2801-T2803 PolarHBondContact O-N 2.88Å; T2803-R2805 WeakPolarHBondContact O-CG 3.26Å; T2803-R2805 PolarHBondContact O-N 2.97Å |
| 2804 | G | 48 | Very low | 51.8 | Low | 22 Ų | 22 | 82 Ų | 82 | 23% | 0.227 | 43% | 0.433 | C | S | . | . | S | Bend | trans | 79.6 | 15.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | V2802 | V2802-G2804 PolarHBondContact O-N 3.07Š|
| 2805 | R | 51.7 | Low | 53.9 | Low | 142 Ų | 142 | 79.3 Ų | 79.3 | 54% | 0.536 | 41% | 0.41 | S | S | . | . | trans | -89.4 | -6.6 | -162 | -61.9 | -170.2 | -176.5 | 174.8 | -1.2 | 118.6 | W2764 V2802 T2803 | W2764-R2805 HydrophobicContact CH2-CB 3.7Å; W2764-R2805 VanDerWaalsContact CH2-O 3.29Å; W2764-R2805 WeakPolarHBondContact CH2-O 3.21Å; W2764-R2805 HydrophobicContact CZ3-CB 4.01Å; V2802-R2805 HydrophobicContact CG1-CB 4.18Å; V2802-R2805 HydrophobicContact CG1-CG 3.86Å; T2803-R2805 WeakPolarHBondContact O-CG 3.26Å; T2803-R2805 PolarHBondContact O-N 2.97Å | ||
| 2806 | G | 52.3 | Low | 56.1 | Low | 3 Ų | 3 | 76.3 Ų | 76.3 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -124.5 | 0.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | L2757 | L2757-G2806 WeakPolarHBondContact CG-O 3.24Š|
| 2807 | T | 56.2 | Low | 58.4 | Low | 21 Ų | 21 | 69.9 Ų | 69.9 | 13% | 0.129 | 38% | 0.376 | C | S | . | . | trans | -126.8 | 126.5 | -177.9 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | M2752 D2753 I2754 L2757 L2791 | M2752-T2807 HydrophobicContact CE-CG2 3.91Å; M2752-T2807 WeakPolarHBondContact CE-OG1 3.19Å; D2753-T2807 WeakPolarHBondContact O-CA 3.15Å; I2754-T2807 HydrophobicContact CG2-CG2 3.93Å; L2757-T2807 HydrophobicContact CD1-CG2 3.73Å; L2791-T2807 HydrophobicContact CD1-CG2 4Å | ||
| 2808 | T | 59.4 | Low | 60.9 | Low | 42 Ų | 42 | 61.5 Ų | 61.5 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133 | 173.5 | 51 | 0 | 0 | 0 | 0 | 109.7 | M2752 D2753 L2778 | M2752-T2808 WeakPolarHBondContact CA-O 2.91Å; D2753-T2808 WeakPolarHBondContact CB-OG1 3.49Å; D2753-T2808 PolarHBondContact N-O 3.5Å; D2753-T2808 PolarHBondContact O-N 2.75Å; D2753-T2808 VanDerWaalsContact O-N 3.08Å; L2778-T2808 HydrophobicContact CD2-CG2 3.64Å |
| 2809 | Y | 63.8 | Low | 63.5 | Low | 64 Ų | 64 | 54.4 Ų | 54.4 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.7 | -179.2 | -166.8 | -98.1 | 0 | 0 | 0 | 110.8 | Q2750 M2752 C2811 K2812 | Q2750-Y2809 HydrophobicContact CB-CE2 3.99Å; Q2750-Y2809 HydrophobicContact CG-CE2 4.29Å; M2752-Y2809 HydrophobicContact CG-CD2 4.4Å; Y2809-C2811 VanDerWaalsContact CZ-O 3.27Å; Y2809-C2811 PolarHBondContact OH-O 3.02Å; Y2809-K2812 HydrophobicContact CE1-CB 3.82Å; Y2809-K2812 VanDerWaalsContact CE1-N 3.34Å; Y2809-K2812 WeakPolarHBondContact OH-CA 3.37Å; Y2809-K2812 WeakPolarHBondContact OH-CB 2.94Å; Y2809-K2812 WeakPolarHBondContact OH-CG 3.25Å; Y2809-K2812 PolarHBondContact OH-N 2.91Å |
| 2810 | L | 67.2 | Low | 66.3 | Low | 73 Ų | 73 | 52.9 Ų | 52.9 | 38% | 0.382 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -53.6 | 177 | -67.1 | 169.3 | 0 | 0 | 0 | 111.8 | M2740 E2751 D2753 | M2740-L2810 HydrophobicContact CG-CD1 4.28Å; M2740-L2810 HydrophobicContact SD-CD1 3.65Å; E2751-L2810 HydrophobicContact CB-CB 3.98Å; E2751-L2810 PolarHBondContact O-N 2.83Å; D2753-L2810 HydrophobicContact CB-CD1 4.25Å |
| 2811 | C | 76.5 | Confident | 69.1 | Low | 18 Ų | 18 | 49 Ų | 49 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 136.1 | -171.1 | -167.3 | 0 | 0 | 0 | 0 | 114.3 | E2751 Y2809 | E2751-C2811 HydrophobicContact CB-CB 4.22Å; E2751-C2811 HydrophobicContact CG-CB 4.47Å; E2751-C2811 PolarHBondContact N-O 3.19Å; E2751-C2811 PolarHBondContact O-N 2.91Å; Y2809-C2811 VanDerWaalsContact CZ-O 3.27Å; Y2809-C2811 PolarHBondContact OH-O 3.02Å |
| 2812 | K | 78.4 | Confident | 71.9 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.5 | 176.7 | -152.3 | 152.3 | 177.2 | 171.2 | 0 | 111.9 | E2748 Q2750 D2788 Y2809 | E2748-K2812 WeakPolarHBondContact OE1-CE 3.36Å; E2748-K2812 IonicContact OE1-NZ 3.35Å; E2748-K2812 PolarHBondContact OE1-NZ 2.76Å; E2748-K2812 WeakPolarHBondContact OE2-CE 3.09Å; E2748-K2812 IonicContact OE2-NZ 2.74Å; E2748-K2812 PolarHBondContact OE2-NZ 2.66Å; Q2750-K2812 HydrophobicContact CG-CG 4.47Å; D2788-K2812 IonicContact OD2-NZ 2.68Å; D2788-K2812 PolarHBondContact OD2-NZ 2.98Å; Y2809-K2812 HydrophobicContact CE1-CB 3.82Å; Y2809-K2812 VanDerWaalsContact CE1-N 3.34Å; Y2809-K2812 WeakPolarHBondContact OH-CA 3.37Å; Y2809-K2812 WeakPolarHBondContact OH-CB 2.94Å; Y2809-K2812 WeakPolarHBondContact OH-CG 3.25Å; Y2809-K2812 PolarHBondContact OH-N 2.91Å |
| 2813 | R | 82.6 | Confident | 74.3 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 4% | 0.038 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 121.5 | -179.1 | -52.1 | -171.1 | -176 | 124.6 | 16.2 | 110.6 | E2748 L2749 E2751 V2815 Y2830 W2842 V2846 G2847 | E2748-R2813 CarbonylContact C-O 3.54Å; E2748-R2813 VanDerWaalsContact CA-O 3.27Å; E2748-R2813 WeakPolarHBondContact CA-O 2.74Å; E2748-R2813 VanDerWaalsContact CB-O 3.31Å; E2748-R2813 WeakPolarHBondContact CB-O 3.31Å; L2749-R2813 HydrophobicContact CB-CB 4.39Å; L2749-R2813 PolarHBondContact N-O 3.33Å; L2749-R2813 PolarHBondContact O-N 2.83Å; E2751-R2813 IonicContact OE1-CZ 3.41Å; E2751-R2813 IonicContact OE1-NH1 3.97Å; E2751-R2813 PolarHBondContact OE1-NH1 2.93Å; E2751-R2813 IonicContact OE1-NH2 2.71Å; E2751-R2813 PolarHBondContact OE1-NH2 3.46Å; E2751-R2813 IonicContact OE2-NH2 3.64Å; E2751-R2813 PolarHBondContact OE2-NH2 3.27Å; R2813-V2815 VanDerWaalsContact C-N 3.33Å; R2813-V2815 HydrophobicContact CB-CG2 4.07Å; R2813-V2815 PolarHBondContact O-N 2.97Å; R2813-Y2830 PolarHBondContact NH1-OH 2.86Å; R2813-W2842 VanDerWaalsContact NH1-CE3 3.27Å; R2813-V2846 PolarHBondContact NE-O 3.26Å; R2813-V2846 PolarHBondContact NH2-O 2.86Å; R2813-G2847 PolarHBondContact NE-O 2.75Å |
| 2814 | L | 83.5 | Confident | 76.6 | Confident | 145 Ų | 145 | 40.8 Ų | 40.8 | 76% | 0.759 | 21% | 0.211 | S | C | * | . | trans | -78.5 | 82 | 175.7 | -169.6 | 74.3 | 0 | 0 | 0 | 110.2 | ||||
| 2815 | V | 83.7 | Confident | 78.4 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | trans | -120.2 | 97.4 | 177.4 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | R2747 R2813 V2818 W2842 | R2747-V2815 CarbonylContact O-C 3.59Å; R2747-V2815 PolarHBondContact O-N 2.55Å; R2813-V2815 VanDerWaalsContact C-N 3.33Å; R2813-V2815 HydrophobicContact CB-CG2 4.07Å; R2813-V2815 PolarHBondContact O-N 2.97Å; V2815-V2818 HydrophobicContact CB-CG2 4.2Å; V2815-V2818 HydrophobicContact CG1-CG2 3.64Å; V2815-W2842 HydrophobicContact CG2-CH2 3.95Å; V2815-W2842 HydrophobicContact CG2-CZ2 3.78Å | ||
| 2816 | P | 83.4 | Confident | 79.9 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 149.1 | -175.8 | 29.1 | -34.5 | 0 | 0 | 0 | 111.4 | V2818 S2834 | P2816-V2818 PolarHBondContact O-N 3.2Å; P2816-S2834 PolarHBondContact O-OG 2.78Å |
| 2817 | G | 85.3 | Confident | 81.3 | Confident | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 13.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G2746 R2819 S2834 T2835 | G2746-G2817 PolarHBondContact O-N 2.93Å; G2817-R2819 PolarHBondContact O-N 2.65Å; G2817-S2834 VanDerWaalsContact C-OG 3.28Å; G2817-S2834 CarbonylContact O-C 3.52Å; G2817-S2834 VanDerWaalsContact O-CA 3.29Å; G2817-S2834 WeakPolarHBondContact O-CA 3.39Å; G2817-S2834 PolarHBondContact O-OG 3.02Å; G2817-T2835 WeakPolarHBondContact CA-OG1 3.27Å; G2817-T2835 WeakPolarHBondContact O-CG2 3.22Å; G2817-T2835 PolarHBondContact O-N 2.98Å; G2817-T2835 PolarHBondContact O-OG1 2.9Å |
| 2818 | V | 90.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 123.7 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | T2729 S2744 V2815 P2816 M2821 | T2729-V2818 PolarHBondContact OG1-O 3.08Å; S2744-V2818 WeakPolarHBondContact OG-CB 3.44Å; S2744-V2818 PolarHBondContact OG-O 3.48Å; S2744-V2818 VanDerWaalsContact OG-O 3.11Å; V2815-V2818 HydrophobicContact CB-CG2 4.2Å; V2815-V2818 HydrophobicContact CG1-CG2 3.64Å; P2816-V2818 PolarHBondContact O-N 3.2Å; V2818-M2821 HydrophobicContact CG1-CG 3.62Å; V2818-M2821 HydrophobicContact CG1-SD 3.97Å |
| 2819 | R | 88 | Confident | 84.2 | Confident | 34 Ų | 34 | 42 Ų | 42 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -18.1 | -175.6 | -74.1 | -65 | -146.1 | 171.6 | 6.4 | 112.9 | G2817 G2833 T2835 T3056 | G2817-R2819 PolarHBondContact O-N 2.65Å; R2819-G2833 PolarHBondContact N-O 2.95Å; R2819-T2835 HydrophobicContact CG-CG2 3.52Å; R2819-T3056 VanDerWaalsContact NH1-CG2 3.29Å; R2819-T3056 PolarHBondContact NH1-OG1 2.9Å; R2819-T3056 PolarHBondContact NH2-OG1 2.87Å |
| 2820 | R | 91.4 | Very high | 85.5 | Confident | 31 Ų | 31 | 39 Ų | 39 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135 | -177.9 | -61.2 | -63.4 | 180 | -117.9 | 16.2 | 108.6 | S2832 G2833 T2863 | R2820-S2832 WeakPolarHBondContact O-CA 3.03Å; R2820-G2833 PolarHBondContact N-O 2.81Å; R2820-G2833 PolarHBondContact O-N 2.95Å; R2820-T2863 WeakPolarHBondContact CG-O 3.48Å; R2820-T2863 PolarHBondContact NE-O 3.17Å |
| 2821 | M | 93.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.7 | 172.2 | -63.7 | -166.8 | -59.7 | 0 | 0 | 108.9 | A2730 A2732 A2742 L2749 V2818 Y2830 L2831 M3061 | A2730-M2821 HydrophobicContact CB-CB 4.31Å; A2730-M2821 HydrophobicContact CB-CE 4.19Å; A2730-M2821 HydrophobicContact CB-CG 4.14Å; A2730-M2821 VanDerWaalsContact O-CE 3.28Å; A2730-M2821 WeakPolarHBondContact O-CE 3.36Å; A2732-M2821 HydrophobicContact CB-CB 3.98Å; A2742-M2821 HydrophobicContact CB-CE 4.37Å; A2742-M2821 WeakPolarHBondContact O-CE 2.99Å; L2749-M2821 HydrophobicContact CD1-SD 3.48Å; L2749-M2821 WeakPolarHBondContact CD1-SD 3.4Å; L2749-M2821 HydrophobicContact CG-SD 4.13Å; V2818-M2821 HydrophobicContact CG1-CG 3.62Å; V2818-M2821 HydrophobicContact CG1-SD 3.97Å; M2821-Y2830 HydrophobicContact SD-CE2 4.24Å; M2821-L2831 WeakPolarHBondContact CA-O 3.46Å; M2821-M3061 WeakPolarHBondContact O-CE 3.44Å |
| 2822 | E | 92.8 | Very high | 87.6 | Confident | 35 Ų | 35 | 34.8 Ų | 34.8 | 16% | 0.164 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 137.4 | 178.2 | -171.2 | -168.9 | -157.9 | 0 | 0 | 109.4 | Y2830 L2831 R2866 F2867 | E2822-Y2830 CarbonylContact O-C 3.56Å; E2822-Y2830 WeakPolarHBondContact O-CA 3.3Å; E2822-Y2830 VanDerWaalsContact O-CB 3.26Å; E2822-Y2830 WeakPolarHBondContact O-CB 3.47Å; E2822-L2831 PolarHBondContact N-O 2.85Å; E2822-L2831 VanDerWaalsContact N-O 3.08Å; E2822-L2831 PolarHBondContact O-N 3.41Å; E2822-R2866 VanDerWaalsContact OE1-CA 3.23Å; E2822-R2866 WeakPolarHBondContact OE1-CA 3.17Å; E2822-R2866 WeakPolarHBondContact OE1-CD 3.17Å; E2822-R2866 WeakPolarHBondContact OE2-CA 3.32Å; E2822-R2866 PolarHBondContact OE2-N 3.24Å; E2822-F2867 HydrophobicContact CB-CD2 4.39Å; E2822-F2867 HydrophobicContact CG-CD2 3.97Å; E2822-F2867 WeakPolarHBondContact O-CE2 3.46Å; E2822-F2867 PolarHBondContact OE1-N 3.47Å; E2822-F2867 VanDerWaalsContact OE2-CD2 3.28Å; E2822-F2867 WeakPolarHBondContact OE2-CD2 3.4Å; E2822-F2867 PolarHBondContact OE2-N 2.88Å |
| 2823 | A | 92 | Very high | 88.3 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 146.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A2732 I2733 F2867 | A2732-A2823 HydrophobicContact CB-CB 4.46Å; I2733-A2823 WeakPolarHBondContact O-CB 3.18Å; A2823-F2867 WeakPolarHBondContact O-CD2 3.45Å |
| 2824 | H | 90 | Very high | 88.8 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | trans | -71.5 | 141 | 170.2 | -177.3 | -76.2 | 0 | 0 | 0 | 109.7 | P2735 T2826 M2827 Y2829 F2867 G2871 | P2735-H2824 WeakPolarHBondContact CG-O 3.43Å; H2824-T2826 PolarHBondContact CE1-OG1 3.02Å; H2824-T2826 PolarHBondContact ND1-N 2.82Å; H2824-T2826 VanDerWaalsContact ND1-N 3.15Å; H2824-T2826 PolarHBondContact O-N 3.42Å; H2824-M2827 PolarHBondContact CE1-N 2.99Å; H2824-M2827 WeakPolarHBondContact ND1-CB 3.34Å; H2824-M2827 PolarHBondContact ND1-N 3.21Å; H2824-M2827 WeakPolarHBondContact NE2-CE 3.49Å; H2824-Y2829 VanDerWaalsContact CB-O 3.24Å; H2824-Y2829 WeakPolarHBondContact CB-O 3.43Å; H2824-Y2829 PolarHBondContact N-O 3.29Å; H2824-F2867 HydrophobicContact CB-CD2 4.47Å; H2824-F2867 HydrophobicContact CB-CE1 4.25Å; H2824-F2867 HydrophobicContact CB-CE2 4.1Å; H2824-F2867 HydrophobicContact CB-CZ 3.99Å; H2824-F2867 AromaticContact CD2-CD1 3.79Å; H2824-F2867 AromaticContact CD2-CE1 3.65Å; H2824-G2871 WeakPolarHBondContact NE2-CA 3.47Å; H2824-G2871 PolarHBondContact NE2-O 3.48Å | ||
| 2825 | P | 85.7 | Confident | 89.1 | Confident | 47 Ų | 47 | 25.8 Ų | 25.8 | 31% | 0.305 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -67.5 | -30.3 | -171.3 | 24.1 | -35 | 0 | 0 | 0 | 115.2 | P2735 | P2735-P2825 WeakPolarHBondContact CG-O 3.44Š|
| 2826 | T | 82.1 | Confident | 89.4 | Confident | 85 Ų | 85 | 27.9 Ų | 27.9 | 52% | 0.521 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -128.8 | -34.6 | -173.4 | 59.1 | 0 | 0 | 0 | 0 | 115.8 | N2736 H2824 | N2736-T2826 PolarHBondContact ND2-O 3.28Å; N2736-T2826 PolarHBondContact OD1-O 2.79Å; H2824-T2826 PolarHBondContact CE1-OG1 3.02Å; H2824-T2826 PolarHBondContact ND1-N 2.82Å; H2824-T2826 VanDerWaalsContact ND1-N 3.15Å; H2824-T2826 PolarHBondContact O-N 3.42Å |
| 2827 | M | 82.5 | Confident | 89.7 | Confident | 60 Ų | 60 | 24.1 Ų | 24.1 | 30% | 0.296 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -87.1 | 155.3 | 174.3 | -59.2 | -170.2 | -65.3 | 0 | 0 | 112.4 | H2824 Y2829 I2888 | H2824-M2827 PolarHBondContact CE1-N 2.99Å; H2824-M2827 WeakPolarHBondContact ND1-CB 3.34Å; H2824-M2827 PolarHBondContact ND1-N 3.21Å; H2824-M2827 WeakPolarHBondContact NE2-CE 3.49Å; M2827-Y2829 HydrophobicContact CB-CD2 3.71Å; M2827-Y2829 HydrophobicContact CB-CE2 3.83Å; M2827-Y2829 HydrophobicContact CB-CG 4.4Å; M2827-Y2829 HydrophobicContact CE-CD2 3.51Å; M2827-Y2829 HydrophobicContact CE-CE2 3.52Å; M2827-Y2829 HydrophobicContact CG-CD2 4.5Å; M2827-Y2829 HydrophobicContact CG-CE2 4.31Å; M2827-Y2829 PolarHBondContact O-N 3.2Å; M2827-Y2829 HydrophobicContact SD-CD2 4.05Å; M2827-Y2829 HydrophobicContact SD-CE2 3.54Å; M2827-Y2829 VanDerWaalsContact SD-CE2 3.54Å; M2827-I2888 HydrophobicContact CE-CG2 3.9Å |
| 2828 | P | 86.2 | Confident | 90 | Very high | 39 Ų | 39 | 23.7 Ų | 23.7 | 25% | 0.253 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -76.7 | 53.1 | 176.8 | 35.4 | -38.1 | 0 | 0 | 0 | 112.4 | W2844 | P2828-W2844 PolarHBondContact O-N 2.91Š|
| 2829 | Y | 89 | Confident | 90.2 | Very high | 25 Ų | 25 | 23.7 Ų | 23.7 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 159.5 | 174.4 | -53 | -43.1 | 0 | 0 | 0 | 111.9 | H2824 M2827 W2842 E2843 R2850 | H2824-Y2829 VanDerWaalsContact CB-O 3.24Å; H2824-Y2829 WeakPolarHBondContact CB-O 3.43Å; H2824-Y2829 PolarHBondContact N-O 3.29Å; M2827-Y2829 HydrophobicContact CB-CD2 3.71Å; M2827-Y2829 HydrophobicContact CB-CE2 3.83Å; M2827-Y2829 HydrophobicContact CB-CG 4.4Å; M2827-Y2829 HydrophobicContact CE-CD2 3.51Å; M2827-Y2829 HydrophobicContact CE-CE2 3.52Å; M2827-Y2829 HydrophobicContact CG-CD2 4.5Å; M2827-Y2829 HydrophobicContact CG-CE2 4.31Å; M2827-Y2829 PolarHBondContact O-N 3.2Å; M2827-Y2829 HydrophobicContact SD-CD2 4.05Å; M2827-Y2829 HydrophobicContact SD-CE2 3.54Å; M2827-Y2829 VanDerWaalsContact SD-CE2 3.54Å; Y2829-W2842 CarbonylContact C-O 3.44Å; Y2829-W2842 WeakPolarHBondContact CA-O 3.24Å; Y2829-W2842 WeakPolarHBondContact CB-O 3.28Å; Y2829-E2843 HydrophobicContact CD1-CB 3.76Å; Y2829-E2843 HydrophobicContact CD1-CG 3.93Å; Y2829-E2843 HydrophobicContact CE1-CB 3.89Å; Y2829-E2843 HydrophobicContact CE1-CG 3.71Å; Y2829-R2850 PolarHBondContact OH-NH1 3.12Å; Y2829-R2850 PolarHBondContact OH-NH2 3.38Å |
| 2830 | Y | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.6 | 167 | 73.1 | -88.9 | 0 | 0 | 0 | 110.2 | A2742 L2749 E2751 R2813 M2821 E2822 W2842 W2844 | A2742-Y2830 HydrophobicContact CB-CE1 4.38Å; A2742-Y2830 HydrophobicContact CB-CE2 4.27Å; L2749-Y2830 HydrophobicContact CD1-CE2 3.88Å; L2749-Y2830 HydrophobicContact CD2-CE2 4.46Å; L2749-Y2830 WeakPolarHBondContact CD2-OH 3.47Å; E2751-Y2830 VanDerWaalsContact OE1-CE1 3.28Å; E2751-Y2830 WeakPolarHBondContact OE1-CE1 3.49Å; E2751-Y2830 PolarHBondContact OE1-OH 3.08Å; R2813-Y2830 PolarHBondContact NH1-OH 2.86Å; M2821-Y2830 HydrophobicContact SD-CE2 4.24Å; E2822-Y2830 CarbonylContact O-C 3.56Å; E2822-Y2830 WeakPolarHBondContact O-CA 3.3Å; E2822-Y2830 VanDerWaalsContact O-CB 3.26Å; E2822-Y2830 WeakPolarHBondContact O-CB 3.47Å; Y2830-W2842 HydrophobicContact CD1-CB 3.84Å; Y2830-W2842 HydrophobicContact CD2-CB 4.25Å; Y2830-W2842 HydrophobicContact CD2-CG 4.48Å; Y2830-W2842 HydrophobicContact CE1-CB 3.31Å; Y2830-W2842 HydrophobicContact CE1-CG 4.08Å; Y2830-W2842 HydrophobicContact CE2-CB 3.77Å; Y2830-W2842 AromaticContact CE2-CD1 3.36Å; Y2830-W2842 AromaticContact CE2-CG 3.73Å; Y2830-W2842 HydrophobicContact CE2-CG 3.73Å; Y2830-W2842 HydrophobicContact CG-CB 4.27Å; Y2830-W2842 AromaticContact CZ-CD1 3.65Å; Y2830-W2842 AromaticContact CZ-CG 3.49Å; Y2830-W2842 VanDerWaalsContact CZ-CG 3.49Å; Y2830-W2842 PolarHBondContact N-O 3.37Å; Y2830-W2842 PolarHBondContact O-N 3.17Å; Y2830-W2844 AromaticContact CD1-CD2 3.89Å; Y2830-W2844 HydrophobicContact CD1-CD2 3.89Å; Y2830-W2844 AromaticContact CD1-CE2 3.63Å; Y2830-W2844 HydrophobicContact CD1-CE3 4.32Å; Y2830-W2844 HydrophobicContact CD1-CG 4.41Å; Y2830-W2844 HydrophobicContact CD1-CH2 4.27Å; Y2830-W2844 AromaticContact CD1-CZ2 3.83Å; Y2830-W2844 HydrophobicContact CD1-CZ2 3.83Å; Y2830-W2844 AromaticContact CD1-NE1 3.98Å; Y2830-W2844 HydrophobicContact CE1-CD2 4.26Å; Y2830-W2844 HydrophobicContact CE1-CE3 4.33Å; Y2830-W2844 HydrophobicContact CG-CZ2 4.19Å |
| 2831 | L | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.5 | -178.1 | -159.7 | 96.8 | 0 | 0 | 0 | 109.7 | M2821 E2822 V2839 R2840 L2841 T2865 F2867 F2874 | M2821-L2831 WeakPolarHBondContact CA-O 3.46Å; E2822-L2831 PolarHBondContact N-O 2.85Å; E2822-L2831 VanDerWaalsContact N-O 3.08Å; E2822-L2831 PolarHBondContact O-N 3.41Å; L2831-V2839 HydrophobicContact CD1-CG1 3.86Å; L2831-V2839 HydrophobicContact CD2-CG1 3.69Å; L2831-V2839 HydrophobicContact CG-CG1 3.79Å; L2831-R2840 WeakPolarHBondContact CA-O 3.36Å; L2831-L2841 HydrophobicContact CD1-CB 4.35Å; L2831-L2841 HydrophobicContact CD1-CD1 4Å; L2831-T2865 HydrophobicContact CD2-CG2 3.54Å; L2831-F2867 HydrophobicContact CB-CE2 3.84Å; L2831-F2867 HydrophobicContact CB-CZ 3.87Å; L2831-F2867 HydrophobicContact CD1-CZ 4.46Å; L2831-F2874 HydrophobicContact CD1-CD2 3.91Å; L2831-F2874 HydrophobicContact CD1-CE2 3.99Å; L2831-F2874 HydrophobicContact CD1-CG 4.33Å; L2831-F2874 HydrophobicContact CD1-CZ 4.43Å; L2831-F2874 HydrophobicContact CD2-CD2 4.11Å |
| 2832 | S | 93.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131 | 172.4 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | R2820 V2839 R2840 W2842 | R2820-S2832 WeakPolarHBondContact O-CA 3.03Å; S2832-V2839 WeakPolarHBondContact O-CA 3.39Å; S2832-R2840 PolarHBondContact N-O 3.4Å; S2832-R2840 PolarHBondContact O-N 3.13Å; S2832-R2840 PolarHBondContact OG-O 3.1Å; S2832-W2842 PolarHBondContact OG-NE1 3.36Å |
| 2833 | G | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2819 R2820 | R2819-G2833 PolarHBondContact N-O 2.95Å; R2820-G2833 PolarHBondContact N-O 2.81Å; R2820-G2833 PolarHBondContact O-N 2.95Å |
| 2834 | S | 92.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 162.3 | -176.9 | 179.5 | 0 | 0 | 0 | 0 | 113.6 | P2816 G2817 D2836 G2837 S2838 V2862 | P2816-S2834 PolarHBondContact O-OG 2.78Å; G2817-S2834 VanDerWaalsContact C-OG 3.28Å; G2817-S2834 CarbonylContact O-C 3.52Å; G2817-S2834 VanDerWaalsContact O-CA 3.29Å; G2817-S2834 WeakPolarHBondContact O-CA 3.39Å; G2817-S2834 PolarHBondContact O-OG 3.02Å; S2834-D2836 WeakPolarHBondContact CB-OD1 3.23Å; S2834-D2836 PolarHBondContact O-N 2.75Å; S2834-D2836 PolarHBondContact OG-OD1 2.91Å; S2834-D2836 VanDerWaalsContact OG-OD1 3.14Å; S2834-G2837 PolarHBondContact O-N 2.84Å; S2834-S2838 PolarHBondContact N-O 2.81Å; S2834-V2862 PolarHBondContact O-N 2.78Å |
| 2835 | T | 90.5 | Very high | 89.3 | Confident | 57 Ų | 57 | 26.9 Ų | 26.9 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.6 | 173.9 | 51 | 0 | 0 | 0 | 0 | 114.1 | G2817 R2819 G2837 K2861 | G2817-T2835 WeakPolarHBondContact CA-OG1 3.27Å; G2817-T2835 WeakPolarHBondContact O-CG2 3.22Å; G2817-T2835 PolarHBondContact O-N 2.98Å; G2817-T2835 PolarHBondContact O-OG1 2.9Å; R2819-T2835 HydrophobicContact CG-CG2 3.52Å; T2835-G2837 PolarHBondContact O-N 2.86Å; T2835-K2861 HydrophobicContact CG2-CD 4.01Å; T2835-K2861 HydrophobicContact CG2-CG 4.4Å |
| 2836 | D | 89.4 | Confident | 89.1 | Confident | 50 Ų | 50 | 27.5 Ų | 27.5 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.3 | 176.6 | 67.2 | 0.4 | 0 | 0 | 0 | 113.7 | S2834 S2838 A2856 G2857 | S2834-D2836 WeakPolarHBondContact CB-OD1 3.23Å; S2834-D2836 PolarHBondContact O-N 2.75Å; S2834-D2836 PolarHBondContact OG-OD1 2.91Å; S2834-D2836 VanDerWaalsContact OG-OD1 3.14Å; D2836-S2838 VanDerWaalsContact C-N 3.27Å; D2836-S2838 PolarHBondContact O-N 2.89Å; D2836-S2838 WeakPolarHBondContact OD1-CB 3.09Å; D2836-S2838 PolarHBondContact OD1-N 2.7Å; D2836-S2838 PolarHBondContact OD1-OG 3.34Å; D2836-S2838 PolarHBondContact OD2-OG 3.4Å; D2836-A2856 HydrophobicContact CB-CB 4.27Å; D2836-A2856 WeakPolarHBondContact OD2-CB 3.47Å; D2836-G2857 PolarHBondContact O-N 2.84Å |
| 2837 | G | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 82.1 | -2.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S2834 T2835 A2860 | S2834-G2837 PolarHBondContact O-N 2.84Å; T2835-G2837 PolarHBondContact O-N 2.86Å; G2837-A2860 WeakPolarHBondContact CA-O 3.4Å |
| 2838 | S | 92.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -74.7 | 144.9 | 177.5 | 70 | 0 | 0 | 0 | 0 | 111.9 | S2834 D2836 R2854 | S2834-S2838 PolarHBondContact N-O 2.81Å; D2836-S2838 VanDerWaalsContact C-N 3.27Å; D2836-S2838 PolarHBondContact O-N 2.89Å; D2836-S2838 WeakPolarHBondContact OD1-CB 3.09Å; D2836-S2838 PolarHBondContact OD1-N 2.7Å; D2836-S2838 PolarHBondContact OD1-OG 3.34Å; D2836-S2838 PolarHBondContact OD2-OG 3.4Å; S2838-R2854 WeakPolarHBondContact CA-O 3.26Å | ||
| 2839 | V | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130 | 173.5 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | L2831 S2832 P2853 R2854 V2862 F2874 V2876 | L2831-V2839 HydrophobicContact CD1-CG1 3.86Å; L2831-V2839 HydrophobicContact CD2-CG1 3.69Å; L2831-V2839 HydrophobicContact CG-CG1 3.79Å; S2832-V2839 WeakPolarHBondContact O-CA 3.39Å; V2839-P2853 HydrophobicContact CB-CG 3.89Å; V2839-P2853 HydrophobicContact CG1-CG 3.65Å; V2839-P2853 WeakPolarHBondContact O-CD 3.28Å; V2839-R2854 HydrophobicContact CB-CB 4.26Å; V2839-R2854 HydrophobicContact CG2-CB 4.42Å; V2839-R2854 PolarHBondContact N-O 2.88Å; V2839-R2854 VanDerWaalsContact N-O 3.11Å; V2839-V2862 HydrophobicContact CG2-CG2 3.73Å; V2839-F2874 HydrophobicContact CG1-CE2 4.5Å; V2839-V2876 HydrophobicContact CB-CG2 4.47Å; V2839-V2876 HydrophobicContact CG1-CG2 4.04Å; V2839-V2876 HydrophobicContact CG2-CB 4.49Å; V2839-V2876 HydrophobicContact CG2-CG1 3.8Å; V2839-V2876 HydrophobicContact CG2-CG2 3.85Å |
| 2840 | R | 91.9 | Very high | 88.8 | Confident | 67 Ų | 67 | 35.3 Ų | 35.3 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.2 | -177 | -53.5 | -176 | -177.6 | -179.5 | 2.2 | 109.4 | L2831 S2832 W2842 P2849 T2852 | L2831-R2840 WeakPolarHBondContact CA-O 3.36Å; S2832-R2840 PolarHBondContact N-O 3.4Å; S2832-R2840 PolarHBondContact O-N 3.13Å; S2832-R2840 PolarHBondContact OG-O 3.1Å; R2840-W2842 HydrophobicContact CB-CZ2 4.1Å; R2840-P2849 HydrophobicContact CB-CB 4.14Å; R2840-T2852 HydrophobicContact CB-CG2 4.31Å; R2840-T2852 HydrophobicContact CG-CG2 3.91Å |
| 2841 | L | 91.8 | Very high | 88.5 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.1 | 170.7 | -174.4 | 72.3 | 0 | 0 | 0 | 108 | L2831 P2849 R2850 Y2851 F2867 | L2831-L2841 HydrophobicContact CD1-CB 4.35Å; L2831-L2841 HydrophobicContact CD1-CD1 4Å; L2841-P2849 CarbonylContact O-C 3.57Å; L2841-P2849 WeakPolarHBondContact O-CA 3.49Å; L2841-R2850 PolarHBondContact O-N 2.77Å; L2841-Y2851 WeakPolarHBondContact CB-O 3.19Å; L2841-Y2851 PolarHBondContact N-O 3.42Å; L2841-Y2851 PolarHBondContact O-N 3.36Å; L2841-F2867 HydrophobicContact CD1-CE1 4.39Å; L2841-F2867 HydrophobicContact CD1-CZ 3.91Å |
| 2842 | W | 90.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.7 | -177.7 | -60.9 | 97.6 | 0 | 0 | 0 | 110.5 | R2813 V2815 Y2829 Y2830 S2832 R2840 P2849 | R2813-W2842 VanDerWaalsContact NH1-CE3 3.27Å; V2815-W2842 HydrophobicContact CG2-CH2 3.95Å; V2815-W2842 HydrophobicContact CG2-CZ2 3.78Å; Y2829-W2842 CarbonylContact C-O 3.44Å; Y2829-W2842 WeakPolarHBondContact CA-O 3.24Å; Y2829-W2842 WeakPolarHBondContact CB-O 3.28Å; Y2830-W2842 HydrophobicContact CD1-CB 3.84Å; Y2830-W2842 HydrophobicContact CD2-CB 4.25Å; Y2830-W2842 HydrophobicContact CD2-CG 4.48Å; Y2830-W2842 HydrophobicContact CE1-CB 3.31Å; Y2830-W2842 HydrophobicContact CE1-CG 4.08Å; Y2830-W2842 HydrophobicContact CE2-CB 3.77Å; Y2830-W2842 AromaticContact CE2-CD1 3.36Å; Y2830-W2842 AromaticContact CE2-CG 3.73Å; Y2830-W2842 HydrophobicContact CE2-CG 3.73Å; Y2830-W2842 HydrophobicContact CG-CB 4.27Å; Y2830-W2842 AromaticContact CZ-CD1 3.65Å; Y2830-W2842 AromaticContact CZ-CG 3.49Å; Y2830-W2842 VanDerWaalsContact CZ-CG 3.49Å; Y2830-W2842 PolarHBondContact N-O 3.37Å; Y2830-W2842 PolarHBondContact O-N 3.17Å; S2832-W2842 PolarHBondContact OG-NE1 3.36Å; R2840-W2842 HydrophobicContact CB-CZ2 4.1Å; W2842-P2849 HydrophobicContact CD2-CB 4.17Å; W2842-P2849 HydrophobicContact CE3-CB 3.88Å; W2842-P2849 HydrophobicContact CH2-CB 3.97Å; W2842-P2849 HydrophobicContact CH2-CG 4.12Å; W2842-P2849 HydrophobicContact CZ2-CB 4.23Å; W2842-P2849 HydrophobicContact CZ3-CB 3.77Å; W2842-P2849 VanDerWaalsContact CZ3-CD 3.47Å; W2842-P2849 HydrophobicContact CZ3-CG 4.1Å; W2842-P2849 VanDerWaalsContact CZ3-N 3.28Å |
| 2843 | E | 88.2 | Confident | 88 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 21% | 0.21 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.4 | 169.6 | -178.7 | 171.1 | 173 | 0 | 0 | 108.5 | Y2829 G2845 V2846 R2850 | Y2829-E2843 HydrophobicContact CD1-CB 3.76Å; Y2829-E2843 HydrophobicContact CD1-CG 3.93Å; Y2829-E2843 HydrophobicContact CE1-CB 3.89Å; Y2829-E2843 HydrophobicContact CE1-CG 3.71Å; E2843-G2845 PolarHBondContact O-N 2.79Å; E2843-V2846 HydrophobicContact CB-CB 4.08Å; E2843-V2846 HydrophobicContact CB-CG2 4.01Å; E2843-V2846 HydrophobicContact CG-CB 4.4Å; E2843-V2846 HydrophobicContact CG-CG2 3.77Å; E2843-V2846 PolarHBondContact O-N 2.95Å; E2843-V2846 VanDerWaalsContact O-N 3.11Å; E2843-R2850 IonicContact OE1-NH1 2.67Å; E2843-R2850 IonicContact OE2-CZ 3.21Å; E2843-R2850 IonicContact OE2-NH1 3.76Å; E2843-R2850 PolarHBondContact OE2-NH1 2.85Å |
| 2844 | W | 86.1 | Confident | 87.8 | Confident | 23 Ų | 23 | 40 Ų | 40 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 130.7 | -177 | -65.9 | 102 | 0 | 0 | 0 | 110.3 | A2732 C2734 M2740 A2742 E2751 P2828 Y2830 V2846 | A2732-W2844 WeakPolarHBondContact O-CH2 3.29Å; C2734-W2844 HydrophobicContact CB-CD2 4.31Å; C2734-W2844 HydrophobicContact CB-CH2 4.35Å; C2734-W2844 HydrophobicContact CB-CZ2 3.84Å; M2740-W2844 HydrophobicContact CE-CB 4.1Å; M2740-W2844 HydrophobicContact CE-CG 4.31Å; A2742-W2844 HydrophobicContact CB-CH2 3.6Å; A2742-W2844 HydrophobicContact CB-CZ3 3.58Å; E2751-W2844 HydrophobicContact CG-CE3 4.23Å; E2751-W2844 HydrophobicContact CG-CZ3 4.34Å; P2828-W2844 PolarHBondContact O-N 2.91Å; Y2830-W2844 AromaticContact CD1-CD2 3.89Å; Y2830-W2844 HydrophobicContact CD1-CD2 3.89Å; Y2830-W2844 AromaticContact CD1-CE2 3.63Å; Y2830-W2844 HydrophobicContact CD1-CE3 4.32Å; Y2830-W2844 HydrophobicContact CD1-CG 4.41Å; Y2830-W2844 HydrophobicContact CD1-CH2 4.27Å; Y2830-W2844 AromaticContact CD1-CZ2 3.83Å; Y2830-W2844 HydrophobicContact CD1-CZ2 3.83Å; Y2830-W2844 AromaticContact CD1-NE1 3.98Å; Y2830-W2844 HydrophobicContact CE1-CD2 4.26Å; Y2830-W2844 HydrophobicContact CE1-CE3 4.33Å; Y2830-W2844 HydrophobicContact CG-CZ2 4.19Å; W2844-V2846 VanDerWaalsContact C-N 3.26Å; W2844-V2846 PolarHBondContact O-N 3.08Å |
| 2845 | G | 79.3 | Confident | 87.6 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 52% | 0.515 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -12.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E2751 E2843 | E2751-G2845 PolarHBondContact OE2-N 3.32Å; E2843-G2845 PolarHBondContact O-N 2.79Å |
| 2846 | V | 82.6 | Confident | 87.5 | Confident | 60 Ų | 60 | 43.2 Ų | 43.2 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | trans | -97 | 119.2 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | R2813 E2843 W2844 Q2848 | R2813-V2846 PolarHBondContact NE-O 3.26Å; R2813-V2846 PolarHBondContact NH2-O 2.86Å; E2843-V2846 HydrophobicContact CB-CB 4.08Å; E2843-V2846 HydrophobicContact CB-CG2 4.01Å; E2843-V2846 HydrophobicContact CG-CB 4.4Å; E2843-V2846 HydrophobicContact CG-CG2 3.77Å; E2843-V2846 PolarHBondContact O-N 2.95Å; E2843-V2846 VanDerWaalsContact O-N 3.11Å; W2844-V2846 VanDerWaalsContact C-N 3.26Å; W2844-V2846 PolarHBondContact O-N 3.08Å; V2846-Q2848 VanDerWaalsContact C-N 3.27Å; V2846-Q2848 PolarHBondContact O-N 3.43Å; V2846-Q2848 VanDerWaalsContact O-N 3.15Å | ||
| 2847 | G | 76.8 | Confident | 87.1 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -62.3 | -24.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R2813 | R2813-G2847 PolarHBondContact NE-O 2.75Š|
| 2848 | Q | 84.3 | Confident | 86.9 | Confident | 156 Ų | 156 | 51.2 Ų | 51.2 | 73% | 0.729 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -103.7 | 148.4 | -178 | -65.9 | -172.1 | 4.1 | 0 | 0 | 111.8 | V2846 R2850 | V2846-Q2848 VanDerWaalsContact C-N 3.27Å; V2846-Q2848 PolarHBondContact O-N 3.43Å; V2846-Q2848 VanDerWaalsContact O-N 3.15Å; Q2848-R2850 PolarHBondContact O-N 3.14Å |
| 2849 | P | 87.4 | Confident | 86.7 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | trans | -70.2 | 131.5 | 175 | 29.7 | -32.5 | 0 | 0 | 0 | 109.7 | R2840 L2841 W2842 Y2851 T2852 | R2840-P2849 HydrophobicContact CB-CB 4.14Å; L2841-P2849 CarbonylContact O-C 3.57Å; L2841-P2849 WeakPolarHBondContact O-CA 3.49Å; W2842-P2849 HydrophobicContact CD2-CB 4.17Å; W2842-P2849 HydrophobicContact CE3-CB 3.88Å; W2842-P2849 HydrophobicContact CH2-CB 3.97Å; W2842-P2849 HydrophobicContact CH2-CG 4.12Å; W2842-P2849 HydrophobicContact CZ2-CB 4.23Å; W2842-P2849 HydrophobicContact CZ3-CB 3.77Å; W2842-P2849 VanDerWaalsContact CZ3-CD 3.47Å; W2842-P2849 HydrophobicContact CZ3-CG 4.1Å; W2842-P2849 VanDerWaalsContact CZ3-N 3.28Å; P2849-Y2851 VanDerWaalsContact C-N 3.32Å; P2849-Y2851 PolarHBondContact O-N 3.39Å; P2849-T2852 HydrophobicContact CB-CG2 4.06Å; P2849-T2852 HydrophobicContact CG-CG2 3.95Å | ||
| 2850 | R | 85 | Confident | 86.6 | Confident | 125 Ų | 125 | 56.4 Ų | 56.4 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -65.3 | -37.8 | 178.4 | -174.1 | 174.4 | -179 | 119.1 | -3.9 | 111.8 | Y2829 L2841 E2843 Q2848 | Y2829-R2850 PolarHBondContact OH-NH1 3.12Å; Y2829-R2850 PolarHBondContact OH-NH2 3.38Å; L2841-R2850 PolarHBondContact O-N 2.77Å; E2843-R2850 IonicContact OE1-NH1 2.67Å; E2843-R2850 IonicContact OE2-CZ 3.21Å; E2843-R2850 IonicContact OE2-NH1 3.76Å; E2843-R2850 PolarHBondContact OE2-NH1 2.85Å; Q2848-R2850 PolarHBondContact O-N 3.14Å |
| 2851 | Y | 86.3 | Confident | 86.7 | Confident | 25 Ų | 25 | 57 Ų | 57 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 139.1 | -177 | 173.7 | -113 | 0 | 0 | 0 | 111.3 | L2841 P2849 P2853 F2874 L2894 | L2841-Y2851 WeakPolarHBondContact CB-O 3.19Å; L2841-Y2851 PolarHBondContact N-O 3.42Å; L2841-Y2851 PolarHBondContact O-N 3.36Å; P2849-Y2851 VanDerWaalsContact C-N 3.32Å; P2849-Y2851 PolarHBondContact O-N 3.39Å; Y2851-P2853 HydrophobicContact CD1-CB 4.45Å; Y2851-P2853 HydrophobicContact CD1-CG 4.35Å; Y2851-P2853 HydrophobicContact CE1-CB 3.61Å; Y2851-P2853 HydrophobicContact CE1-CG 3.94Å; Y2851-F2874 HydrophobicContact CE1-CE1 4.49Å; Y2851-F2874 HydrophobicContact CE1-CZ 4.26Å; Y2851-L2894 PolarHBondContact OH-O 3.26Å |
| 2852 | T | 88.8 | Confident | 86.7 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 89.1 | -179.9 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | R2840 P2849 R2854 | R2840-T2852 HydrophobicContact CB-CG2 4.31Å; R2840-T2852 HydrophobicContact CG-CG2 3.91Å; P2849-T2852 HydrophobicContact CB-CG2 4.06Å; P2849-T2852 HydrophobicContact CG-CG2 3.95Å; T2852-R2854 VanDerWaalsContact C-N 3.28Å; T2852-R2854 PolarHBondContact O-N 3.19Å |
| 2853 | P | 87.6 | Confident | 86.8 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 7% | 0.071 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -32.8 | -178.8 | 21.6 | -33.5 | 0 | 0 | 0 | 113.3 | V2839 Y2851 F2874 W2886 | V2839-P2853 HydrophobicContact CB-CG 3.89Å; V2839-P2853 HydrophobicContact CG1-CG 3.65Å; V2839-P2853 WeakPolarHBondContact O-CD 3.28Å; Y2851-P2853 HydrophobicContact CD1-CB 4.45Å; Y2851-P2853 HydrophobicContact CD1-CG 4.35Å; Y2851-P2853 HydrophobicContact CE1-CB 3.61Å; Y2851-P2853 HydrophobicContact CE1-CG 3.94Å; P2853-F2874 HydrophobicContact CB-CE2 4.32Å; P2853-F2874 HydrophobicContact CB-CZ 3.89Å; P2853-F2874 HydrophobicContact CG-CE2 3.9Å; P2853-F2874 HydrophobicContact CG-CZ 3.7Å; P2853-W2886 HydrophobicContact CB-CD2 4.36Å; P2853-W2886 HydrophobicContact CB-CZ2 4.27Å |
| 2854 | R | 89.4 | Confident | 87.1 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.1 | 177.8 | -70.2 | -175.4 | 174.2 | -176.5 | -0.6 | 111.5 | S2838 V2839 T2852 F2859 D2878 S2884 W2886 | S2838-R2854 WeakPolarHBondContact CA-O 3.26Å; V2839-R2854 HydrophobicContact CB-CB 4.26Å; V2839-R2854 HydrophobicContact CG2-CB 4.42Å; V2839-R2854 PolarHBondContact N-O 2.88Å; V2839-R2854 VanDerWaalsContact N-O 3.11Å; T2852-R2854 VanDerWaalsContact C-N 3.28Å; T2852-R2854 PolarHBondContact O-N 3.19Å; R2854-F2859 HydrophobicContact CB-CD2 3.84Å; R2854-F2859 HydrophobicContact CB-CE2 3.94Å; R2854-F2859 HydrophobicContact CG-CD2 3.95Å; R2854-F2859 HydrophobicContact CG-CE2 3.87Å; R2854-F2859 HydrophobicContact CG-CG 4.42Å; R2854-F2859 HydrophobicContact CG-CZ 4.27Å; R2854-D2878 IonicContact CZ-OD1 3.77Å; R2854-D2878 IonicContact CZ-OD2 2.82Å; R2854-D2878 IonicContact NH1-OD1 3.56Å; R2854-D2878 PolarHBondContact NH1-OD1 2.86Å; R2854-D2878 IonicContact NH1-OD2 3.4Å; R2854-D2878 PolarHBondContact NH1-OD2 2.85Å; R2854-D2878 IonicContact NH2-OD1 2.84Å; R2854-D2878 IonicContact NH2-OD2 2.59Å; R2854-D2878 PolarHBondContact NH2-OD2 3.15Å; R2854-S2884 PolarHBondContact NH2-OG 3.47Å; R2854-W2886 HydrophobicContact CG-CH2 4.31Å; R2854-W2886 HydrophobicContact CG-CZ2 3.96Å |
| 2855 | T | 88 | Confident | 87.5 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | trans | -85.7 | 152.9 | 177.1 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | H2858 | T2855-H2858 PolarHBondContact OG1-CD2 3.25Š| ||
| 2856 | A | 87.7 | Confident | 88.2 | Confident | 48 Ų | 48 | 56 Ų | 56 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 142.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | D2836 H2858 | D2836-A2856 HydrophobicContact CB-CB 4.27Å; D2836-A2856 WeakPolarHBondContact OD2-CB 3.47Å; A2856-H2858 PolarHBondContact O-N 3.43Å |
| 2857 | G | 81.7 | Confident | 88.6 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 73% | 0.732 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -8.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | D2836 | D2836-G2857 PolarHBondContact O-N 2.84Š|
| 2858 | H | 85.3 | Confident | 89.2 | Confident | 147 Ų | 147 | 51.6 Ų | 51.6 | 68% | 0.681 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -97 | -24.3 | -179.1 | -73.8 | -80.1 | 0 | 0 | 0 | 114.6 | T2855 A2856 | T2855-H2858 PolarHBondContact OG1-CD2 3.25Å; A2856-H2858 PolarHBondContact O-N 3.43Å |
| 2859 | F | 89.2 | Confident | 89.3 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 40% | 0.404 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -120.2 | 157 | -172.4 | -58.6 | -82.9 | 0 | 0 | 0 | 109.7 | R2854 | R2854-F2859 HydrophobicContact CB-CD2 3.84Å; R2854-F2859 HydrophobicContact CB-CE2 3.94Å; R2854-F2859 HydrophobicContact CG-CD2 3.95Å; R2854-F2859 HydrophobicContact CG-CE2 3.87Å; R2854-F2859 HydrophobicContact CG-CG 4.42Å; R2854-F2859 HydrophobicContact CG-CZ 4.27Å |
| 2860 | A | 91.7 | Very high | 89.1 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 164 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G2837 V2862 D2878 A2879 D2880 | G2837-A2860 WeakPolarHBondContact CA-O 3.4Å; A2860-V2862 PolarHBondContact O-N 3.05Å; A2860-D2878 HydrophobicContact CB-CB 4.26Å; A2860-A2879 HydrophobicContact CB-CB 4.43Å; A2860-D2880 HydrophobicContact CB-CB 4.15Å; A2860-D2880 VanDerWaalsContact CB-OD2 3.27Å; A2860-D2880 WeakPolarHBondContact CB-OD2 3.48Å |
| 2861 | K | 92.2 | Very high | 89.1 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -52 | 128.8 | 178.1 | 164.5 | 170.2 | 176.4 | -174.4 | 0 | 111.3 | T2835 T2863 D2878 A2879 | T2835-K2861 HydrophobicContact CG2-CD 4.01Å; T2835-K2861 HydrophobicContact CG2-CG 4.4Å; K2861-T2863 PolarHBondContact O-N 2.61Å; K2861-D2878 CarbonylContact O-C 3.57Å; K2861-D2878 WeakPolarHBondContact O-CA 3.49Å; K2861-A2879 HydrophobicContact CB-CB 4.17Å; K2861-A2879 PolarHBondContact O-N 3.12Å |
| 2862 | V | 93.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 125.4 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | S2834 V2839 A2860 T2865 V2876 | S2834-V2862 PolarHBondContact O-N 2.78Å; V2839-V2862 HydrophobicContact CG2-CG2 3.73Å; A2860-V2862 PolarHBondContact O-N 3.05Å; V2862-T2865 HydrophobicContact CG1-CG2 3.68Å; V2862-V2876 HydrophobicContact CB-CG1 4.48Å; V2862-V2876 HydrophobicContact CG1-CG1 3.75Å; V2862-V2876 HydrophobicContact CG2-CG1 4.03Å |
| 2863 | T | 92.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -36.8 | -178.9 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | R2820 K2861 T2877 D2878 A2879 C2908 | R2820-T2863 WeakPolarHBondContact CG-O 3.48Å; R2820-T2863 PolarHBondContact NE-O 3.17Å; K2861-T2863 PolarHBondContact O-N 2.61Å; T2863-T2877 PolarHBondContact N-O 3.44Å; T2863-T2877 PolarHBondContact OG1-O 2.94Å; T2863-T2877 PolarHBondContact OG1-OG1 3.2Å; T2863-D2878 PolarHBondContact OG1-N 3.4Å; T2863-A2879 HydrophobicContact CG2-CB 4.19Å; T2863-C2908 WeakPolarHBondContact CB-O 3.34Å; T2863-C2908 VanDerWaalsContact CG2-O 3.31Å; T2863-C2908 WeakPolarHBondContact CG2-O 3.27Å; T2863-C2908 PolarHBondContact OG1-O 2.91Å |
| 2864 | Q | 93.4 | Very high | 89.4 | Confident | 23 Ų | 23 | 45 Ų | 45 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 149.9 | 173.5 | -175.6 | 71.3 | -66 | 0 | 0 | 112.6 | R2866 T2877 D2910 F2911 | Q2864-R2866 HydrophobicContact CG-CG 4.2Å; Q2864-T2877 VanDerWaalsContact CB-OG1 3.31Å; Q2864-T2877 WeakPolarHBondContact CB-OG1 3.48Å; Q2864-T2877 PolarHBondContact N-OG1 3.41Å; Q2864-T2877 PolarHBondContact O-N 2.79Å; Q2864-T2877 PolarHBondContact O-OG1 2.97Å; Q2864-T2877 VanDerWaalsContact O-OG1 3.13Å; Q2864-D2910 WeakPolarHBondContact CG-OD1 3.24Å; Q2864-D2910 PolarHBondContact NE2-OD1 2.78Å; Q2864-F2911 HydrophobicContact CB-CD1 4.19Å; Q2864-F2911 HydrophobicContact CB-CE1 4.41Å; Q2864-F2911 HydrophobicContact CG-CD1 4.03Å; Q2864-F2911 HydrophobicContact CG-CE1 4.13Å |
| 2865 | T | 94.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.4 | 169.4 | 57 | 0 | 0 | 0 | 0 | 110.6 | L2831 V2862 G2875 V2876 | L2831-T2865 HydrophobicContact CD2-CG2 3.54Å; V2862-T2865 HydrophobicContact CG1-CG2 3.68Å; T2865-G2875 WeakPolarHBondContact CA-O 3.48Å; T2865-V2876 HydrophobicContact CG2-CG1 4.46Å; T2865-V2876 HydrophobicContact CG2-CG2 4.23Å |
| 2866 | R | 93.5 | Very high | 89.9 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.2 | 175.3 | -61.5 | -66.8 | -173.7 | 118.6 | 12.7 | 112.9 | E2822 Q2864 F2874 G2875 D2910 F2911 F2913 L2960 | E2822-R2866 VanDerWaalsContact OE1-CA 3.23Å; E2822-R2866 WeakPolarHBondContact OE1-CA 3.17Å; E2822-R2866 WeakPolarHBondContact OE1-CD 3.17Å; E2822-R2866 WeakPolarHBondContact OE2-CA 3.32Å; E2822-R2866 PolarHBondContact OE2-N 3.24Å; Q2864-R2866 HydrophobicContact CG-CG 4.2Å; R2866-F2874 CarbonylContact O-C 3.5Å; R2866-F2874 VanDerWaalsContact O-CA 3.27Å; R2866-F2874 WeakPolarHBondContact O-CA 3.33Å; R2866-G2875 PolarHBondContact N-O 3.4Å; R2866-G2875 VanDerWaalsContact N-O 3.12Å; R2866-G2875 PolarHBondContact O-N 2.84Å; R2866-D2910 IonicContact NE-OD1 3.88Å; R2866-D2910 IonicContact NH2-OD1 2.63Å; R2866-D2910 PolarHBondContact NH2-OD1 2.7Å; R2866-D2910 IonicContact NH2-OD2 2.79Å; R2866-F2911 HydrophobicContact CB-CE1 3.99Å; R2866-F2911 HydrophobicContact CB-CE2 3.73Å; R2866-F2911 HydrophobicContact CB-CZ 3.4Å; R2866-F2911 VanDerWaalsContact CB-CZ 3.4Å; R2866-F2911 HydrophobicContact CG-CD1 4.39Å; R2866-F2911 HydrophobicContact CG-CE1 3.98Å; R2866-F2911 HydrophobicContact CG-CE2 4.26Å; R2866-F2911 HydrophobicContact CG-CZ 3.89Å; R2866-F2911 VanDerWaalsContact CG-O 3.31Å; R2866-F2911 WeakPolarHBondContact CG-O 3.02Å; R2866-F2911 VanDerWaalsContact N-CZ 3.32Å; R2866-F2913 HydrophobicContact CB-CD2 4.17Å; R2866-F2913 HydrophobicContact CB-CE2 4.1Å; R2866-L2960 PolarHBondContact NH2-O 2.87Å |
| 2867 | F | 92 | Very high | 90.2 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 6% | 0.057 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 155.6 | 163.7 | -74.1 | -80.9 | 0 | 0 | 0 | 109.8 | E2822 A2823 H2824 L2831 L2841 F2874 I2888 F2913 | E2822-F2867 HydrophobicContact CB-CD2 4.39Å; E2822-F2867 HydrophobicContact CG-CD2 3.97Å; E2822-F2867 WeakPolarHBondContact O-CE2 3.46Å; E2822-F2867 PolarHBondContact OE1-N 3.47Å; E2822-F2867 VanDerWaalsContact OE2-CD2 3.28Å; E2822-F2867 WeakPolarHBondContact OE2-CD2 3.4Å; E2822-F2867 PolarHBondContact OE2-N 2.88Å; A2823-F2867 WeakPolarHBondContact O-CD2 3.45Å; H2824-F2867 HydrophobicContact CB-CD2 4.47Å; H2824-F2867 HydrophobicContact CB-CE1 4.25Å; H2824-F2867 HydrophobicContact CB-CE2 4.1Å; H2824-F2867 HydrophobicContact CB-CZ 3.99Å; H2824-F2867 AromaticContact CD2-CD1 3.79Å; H2824-F2867 AromaticContact CD2-CE1 3.65Å; L2831-F2867 HydrophobicContact CB-CE2 3.84Å; L2831-F2867 HydrophobicContact CB-CZ 3.87Å; L2831-F2867 HydrophobicContact CD1-CZ 4.46Å; L2841-F2867 HydrophobicContact CD1-CE1 4.39Å; L2841-F2867 HydrophobicContact CD1-CZ 3.91Å; F2867-F2874 HydrophobicContact CD1-CB 3.8Å; F2867-F2874 HydrophobicContact CE1-CB 4.06Å; F2867-F2874 HydrophobicContact CG-CB 4.43Å; F2867-I2888 HydrophobicContact CD1-CD1 3.77Å; F2867-I2888 HydrophobicContact CE1-CD1 3.31Å; F2867-I2888 HydrophobicContact CZ-CD1 4.48Å; F2867-F2913 VanDerWaalsContact O-CD2 3.27Å; F2867-F2913 WeakPolarHBondContact O-CD2 3.29Å |
| 2868 | S | 90.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -70.6 | 159.4 | 164.7 | 66.4 | 0 | 0 | 0 | 0 | 111.2 | Q2870 G2871 S2872 K2873 S2918 | S2868-Q2870 PolarHBondContact O-N 2.62Å; S2868-Q2870 VanDerWaalsContact O-N 3.13Å; S2868-G2871 PolarHBondContact O-N 2.79Å; S2868-G2871 PolarHBondContact OG-N 3.32Å; S2868-S2872 PolarHBondContact OG-N 3.22Å; S2868-K2873 PolarHBondContact N-O 2.85Å; S2868-K2873 PolarHBondContact OG-N 3.07Å; S2868-K2873 VanDerWaalsContact OG-N 3.17Å; S2868-K2873 PolarHBondContact OG-O 3.34Å; S2868-S2918 WeakPolarHBondContact CB-OG 3.35Å | ||
| 2869 | A | 85.3 | Confident | 91 | Very high | 69 Ų | 69 | 29.9 Ų | 29.9 | 57% | 0.57 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 2870 | Q | 83.6 | Confident | 91 | Very high | 121 Ų | 121 | 30.1 Ų | 30.1 | 57% | 0.565 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -11 | 176.1 | -65.2 | 178.1 | -15.6 | 0 | 0 | 113.4 | S2868 S2872 | S2868-Q2870 PolarHBondContact O-N 2.62Å; S2868-Q2870 VanDerWaalsContact O-N 3.13Å; Q2870-S2872 PolarHBondContact O-N 2.82Å |
| 2871 | G | 85.6 | Confident | 90.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 77.5 | -5.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H2824 S2868 K2873 | H2824-G2871 WeakPolarHBondContact NE2-CA 3.47Å; H2824-G2871 PolarHBondContact NE2-O 3.48Å; S2868-G2871 PolarHBondContact O-N 2.79Å; S2868-G2871 PolarHBondContact OG-N 3.32Å; G2871-K2873 VanDerWaalsContact C-N 3.26Å; G2871-K2873 PolarHBondContact O-N 2.88Å |
| 2872 | S | 86.9 | Confident | 90.9 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 22% | 0.217 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -69.3 | -17.8 | -178.5 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | S2868 Q2870 H2887 I2888 | S2868-S2872 PolarHBondContact OG-N 3.22Å; Q2870-S2872 PolarHBondContact O-N 2.82Å; S2872-H2887 PolarHBondContact O-CE1 3.31Å; S2872-H2887 PolarHBondContact O-ND1 2.72Å; S2872-I2888 PolarHBondContact O-N 3.4Å |
| 2873 | K | 89.9 | Confident | 90.9 | Very high | 53 Ų | 53 | 26.8 Ų | 26.8 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153.7 | -179 | -59.9 | 176.8 | -173.5 | 175.1 | 0 | 109.9 | S2868 G2871 W2886 F2898 | S2868-K2873 PolarHBondContact N-O 2.85Å; S2868-K2873 PolarHBondContact OG-N 3.07Å; S2868-K2873 VanDerWaalsContact OG-N 3.17Å; S2868-K2873 PolarHBondContact OG-O 3.34Å; G2871-K2873 VanDerWaalsContact C-N 3.26Å; G2871-K2873 PolarHBondContact O-N 2.88Å; K2873-W2886 VanDerWaalsContact CA-O 3.26Å; K2873-W2886 WeakPolarHBondContact CA-O 3.41Å; K2873-F2898 HydrophobicContact CD-CE1 4.39Å; K2873-F2898 HydrophobicContact CD-CZ 4.04Å |
| 2874 | F | 92.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 154.6 | 168.2 | 71.7 | -84.2 | 0 | 0 | 0 | 111.1 | L2831 V2839 Y2851 P2853 R2866 F2867 V2876 L2885 W2886 I2888 | L2831-F2874 HydrophobicContact CD1-CD2 3.91Å; L2831-F2874 HydrophobicContact CD1-CE2 3.99Å; L2831-F2874 HydrophobicContact CD1-CG 4.33Å; L2831-F2874 HydrophobicContact CD1-CZ 4.43Å; L2831-F2874 HydrophobicContact CD2-CD2 4.11Å; V2839-F2874 HydrophobicContact CG1-CE2 4.5Å; Y2851-F2874 HydrophobicContact CE1-CE1 4.49Å; Y2851-F2874 HydrophobicContact CE1-CZ 4.26Å; P2853-F2874 HydrophobicContact CB-CE2 4.32Å; P2853-F2874 HydrophobicContact CB-CZ 3.89Å; P2853-F2874 HydrophobicContact CG-CE2 3.9Å; P2853-F2874 HydrophobicContact CG-CZ 3.7Å; R2866-F2874 CarbonylContact O-C 3.5Å; R2866-F2874 VanDerWaalsContact O-CA 3.27Å; R2866-F2874 WeakPolarHBondContact O-CA 3.33Å; F2867-F2874 HydrophobicContact CD1-CB 3.8Å; F2867-F2874 HydrophobicContact CE1-CB 4.06Å; F2867-F2874 HydrophobicContact CG-CB 4.43Å; F2874-V2876 HydrophobicContact CD2-CG2 4.2Å; F2874-V2876 HydrophobicContact CE2-CG2 4.17Å; F2874-L2885 CarbonylContact O-C 3.48Å; F2874-L2885 WeakPolarHBondContact O-CA 3.25Å; F2874-W2886 HydrophobicContact CD1-CB 3.79Å; F2874-W2886 HydrophobicContact CD2-CB 4.48Å; F2874-W2886 HydrophobicContact CD2-CD2 4.49Å; F2874-W2886 AromaticContact CD2-CE3 3.82Å; F2874-W2886 HydrophobicContact CD2-CE3 3.82Å; F2874-W2886 HydrophobicContact CD2-CZ3 4.44Å; F2874-W2886 HydrophobicContact CE1-CB 3.25Å; F2874-W2886 AromaticContact CE1-CG 3.98Å; F2874-W2886 HydrophobicContact CE1-CG 3.98Å; F2874-W2886 HydrophobicContact CE2-CB 3.96Å; F2874-W2886 AromaticContact CE2-CD2 3.66Å; F2874-W2886 HydrophobicContact CE2-CD2 3.66Å; F2874-W2886 AromaticContact CE2-CE3 3.32Å; F2874-W2886 HydrophobicContact CE2-CE3 3.32Å; F2874-W2886 AromaticContact CE2-CG 3.97Å; F2874-W2886 HydrophobicContact CE2-CG 3.97Å; F2874-W2886 AromaticContact CE2-CZ3 3.98Å; F2874-W2886 HydrophobicContact CE2-CZ3 3.98Å; F2874-W2886 HydrophobicContact CG-CB 4.42Å; F2874-W2886 HydrophobicContact CZ-CB 3.32Å; F2874-W2886 AromaticContact CZ-CD2 3.7Å; F2874-W2886 HydrophobicContact CZ-CD2 3.7Å; F2874-W2886 AromaticContact CZ-CE3 3.86Å; F2874-W2886 HydrophobicContact CZ-CE3 3.86Å; F2874-W2886 AromaticContact CZ-CG 3.5Å; F2874-W2886 HydrophobicContact CZ-CG 3.5Å; F2874-W2886 PolarHBondContact N-O 3.07Å; F2874-W2886 PolarHBondContact O-N 2.87Å; F2874-I2888 HydrophobicContact CB-CD1 4.36Å; F2874-I2888 HydrophobicContact CD1-CD1 3.52Å; F2874-I2888 HydrophobicContact CD1-CG1 3.49Å; F2874-I2888 VanDerWaalsContact CD1-CG1 3.49Å; F2874-I2888 HydrophobicContact CE1-CD1 4.21Å; F2874-I2888 HydrophobicContact CE1-CG1 3.91Å; F2874-I2888 HydrophobicContact CG-CD1 4.34Å |
| 2875 | G | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | T2865 R2866 S2884 F2911 | T2865-G2875 WeakPolarHBondContact CA-O 3.48Å; R2866-G2875 PolarHBondContact N-O 3.4Å; R2866-G2875 VanDerWaalsContact N-O 3.12Å; R2866-G2875 PolarHBondContact O-N 2.84Å; G2875-S2884 CarbonylContact C-O 3.56Å; G2875-S2884 VanDerWaalsContact CA-O 3.25Å; G2875-S2884 WeakPolarHBondContact CA-O 3.28Å; G2875-F2911 VanDerWaalsContact CA-CZ 3.48Å; G2875-F2911 VanDerWaalsContact O-CZ 3.26Å; G2875-F2911 WeakPolarHBondContact O-CZ 3.22Å |
| 2876 | V | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.5 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 108 | V2839 V2862 T2865 F2874 L2883 S2884 W2886 | V2839-V2876 HydrophobicContact CB-CG2 4.47Å; V2839-V2876 HydrophobicContact CG1-CG2 4.04Å; V2839-V2876 HydrophobicContact CG2-CB 4.49Å; V2839-V2876 HydrophobicContact CG2-CG1 3.8Å; V2839-V2876 HydrophobicContact CG2-CG2 3.85Å; V2862-V2876 HydrophobicContact CB-CG1 4.48Å; V2862-V2876 HydrophobicContact CG1-CG1 3.75Å; V2862-V2876 HydrophobicContact CG2-CG1 4.03Å; T2865-V2876 HydrophobicContact CG2-CG1 4.46Å; T2865-V2876 HydrophobicContact CG2-CG2 4.23Å; F2874-V2876 HydrophobicContact CD2-CG2 4.2Å; F2874-V2876 HydrophobicContact CE2-CG2 4.17Å; V2876-L2883 WeakPolarHBondContact O-CA 3.3Å; V2876-S2884 PolarHBondContact N-O 3Å; V2876-S2884 PolarHBondContact O-N 2.89Å; V2876-W2886 HydrophobicContact CB-CH2 3.87Å; V2876-W2886 HydrophobicContact CB-CZ3 3.55Å; V2876-W2886 HydrophobicContact CG2-CE3 4.16Å; V2876-W2886 HydrophobicContact CG2-CH2 3.8Å; V2876-W2886 HydrophobicContact CG2-CZ3 3.31Å |
| 2877 | T | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 147.8 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 111 | T2863 Q2864 C2882 L2883 C2908 F2911 | T2863-T2877 PolarHBondContact N-O 3.44Å; T2863-T2877 PolarHBondContact OG1-O 2.94Å; T2863-T2877 PolarHBondContact OG1-OG1 3.2Å; Q2864-T2877 VanDerWaalsContact CB-OG1 3.31Å; Q2864-T2877 WeakPolarHBondContact CB-OG1 3.48Å; Q2864-T2877 PolarHBondContact N-OG1 3.41Å; Q2864-T2877 PolarHBondContact O-N 2.79Å; Q2864-T2877 PolarHBondContact O-OG1 2.97Å; Q2864-T2877 VanDerWaalsContact O-OG1 3.13Å; T2877-C2882 VanDerWaalsContact CA-O 3.31Å; T2877-C2882 WeakPolarHBondContact CA-O 3.34Å; T2877-L2883 HydrophobicContact CG2-CB 4.27Å; T2877-L2883 HydrophobicContact CG2-CD1 3.49Å; T2877-L2883 VanDerWaalsContact CG2-CD1 3.49Å; T2877-L2883 HydrophobicContact CG2-CG 4.48Å; T2877-C2908 HydrophobicContact CG2-CB 4.31Å; T2877-C2908 WeakPolarHBondContact CG2-SG 3.21Å; T2877-F2911 HydrophobicContact CG2-CB 4.03Å; T2877-F2911 HydrophobicContact CG2-CD1 3.34Å; T2877-F2911 HydrophobicContact CG2-CE1 4.01Å; T2877-F2911 HydrophobicContact CG2-CG 3.84Å |
| 2878 | D | 92.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 162.3 | -174.3 | -58.3 | -40.1 | 0 | 0 | 0 | 113.1 | R2854 A2860 K2861 T2863 D2880 G2881 C2882 C2908 | R2854-D2878 IonicContact CZ-OD1 3.77Å; R2854-D2878 IonicContact CZ-OD2 2.82Å; R2854-D2878 IonicContact NH1-OD1 3.56Å; R2854-D2878 PolarHBondContact NH1-OD1 2.86Å; R2854-D2878 IonicContact NH1-OD2 3.4Å; R2854-D2878 PolarHBondContact NH1-OD2 2.85Å; R2854-D2878 IonicContact NH2-OD1 2.84Å; R2854-D2878 IonicContact NH2-OD2 2.59Å; R2854-D2878 PolarHBondContact NH2-OD2 3.15Å; A2860-D2878 HydrophobicContact CB-CB 4.26Å; K2861-D2878 CarbonylContact O-C 3.57Å; K2861-D2878 WeakPolarHBondContact O-CA 3.49Å; T2863-D2878 PolarHBondContact OG1-N 3.4Å; D2878-D2880 PolarHBondContact O-N 3.18Å; D2878-D2880 VanDerWaalsContact O-N 3.15Å; D2878-G2881 PolarHBondContact O-N 3.31Å; D2878-C2882 PolarHBondContact N-O 3.27Å; D2878-C2882 VanDerWaalsContact N-O 3.07Å; D2878-C2908 PolarHBondContact O-N 2.93Å |
| 2879 | A | 91.3 | Very high | 89 | Confident | 30 Ų | 30 | 29.3 Ų | 29.3 | 25% | 0.248 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A2860 K2861 T2863 G2881 T2907 | A2860-A2879 HydrophobicContact CB-CB 4.43Å; K2861-A2879 HydrophobicContact CB-CB 4.17Å; K2861-A2879 PolarHBondContact O-N 3.12Å; T2863-A2879 HydrophobicContact CG2-CB 4.19Å; A2879-G2881 VanDerWaalsContact C-N 3.3Å; A2879-T2907 WeakPolarHBondContact O-CA 3.47Å; A2879-T2907 WeakPolarHBondContact O-CG2 3.26Å |
| 2880 | D | 90.3 | Very high | 87.7 | Confident | 96 Ų | 96 | 33.2 Ų | 33.2 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.1 | 173.8 | -72.2 | -14.7 | 0 | 0 | 0 | 113.7 | A2860 D2878 K2902 K2906 | A2860-D2880 HydrophobicContact CB-CB 4.15Å; A2860-D2880 VanDerWaalsContact CB-OD2 3.27Å; A2860-D2880 WeakPolarHBondContact CB-OD2 3.48Å; D2878-D2880 PolarHBondContact O-N 3.18Å; D2878-D2880 VanDerWaalsContact O-N 3.15Å; D2880-K2902 WeakPolarHBondContact O-CE 3.36Å; D2880-K2906 CarbonylContact C-O 3.6Å |
| 2881 | G | 89.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 84.4 | 10.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | D2878 A2879 C2903 H2904 | D2878-G2881 PolarHBondContact O-N 3.31Å; A2879-G2881 VanDerWaalsContact C-N 3.3Å; G2881-C2903 PolarHBondContact O-N 3.11Å; G2881-H2904 PolarHBondContact O-N 2.83Å |
| 2882 | C | 92 | Very high | 85.1 | Confident | 30 Ų | 30 | 32.3 Ų | 32.3 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 144.9 | 178.2 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | T2877 D2878 V2901 | T2877-C2882 VanDerWaalsContact CA-O 3.31Å; T2877-C2882 WeakPolarHBondContact CA-O 3.34Å; D2878-C2882 PolarHBondContact N-O 3.27Å; D2878-C2882 VanDerWaalsContact N-O 3.07Å; C2882-V2901 WeakPolarHBondContact CA-O 3.4Å |
| 2883 | L | 93.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.3 | 168.6 | 173.9 | 69.4 | 0 | 0 | 0 | 108.3 | V2876 T2877 L2885 N2900 V2901 C2903 F2911 L2921 T2923 | V2876-L2883 WeakPolarHBondContact O-CA 3.3Å; T2877-L2883 HydrophobicContact CG2-CB 4.27Å; T2877-L2883 HydrophobicContact CG2-CD1 3.49Å; T2877-L2883 VanDerWaalsContact CG2-CD1 3.49Å; T2877-L2883 HydrophobicContact CG2-CG 4.48Å; L2883-L2885 HydrophobicContact CD1-CD2 4.05Å; L2883-L2885 HydrophobicContact CG-CD2 4.23Å; L2883-N2900 WeakPolarHBondContact O-CA 3.2Å; L2883-N2900 PolarHBondContact O-OD1 2.8Å; L2883-V2901 PolarHBondContact N-O 2.76Å; L2883-V2901 PolarHBondContact O-N 2.94Å; L2883-C2903 WeakPolarHBondContact CB-SG 3.39Å; L2883-F2911 HydrophobicContact CD1-CD1 4.27Å; L2883-F2911 HydrophobicContact CD1-CD2 3.91Å; L2883-F2911 HydrophobicContact CD1-CE1 4.44Å; L2883-F2911 HydrophobicContact CD1-CE2 4.1Å; L2883-F2911 HydrophobicContact CD1-CG 4Å; L2883-F2911 HydrophobicContact CD1-CZ 4.37Å; L2883-L2921 HydrophobicContact CD2-CD1 3.99Å; L2883-T2923 HydrophobicContact CD2-CG2 4.04Å |
| 2884 | S | 92.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.7 | 174.4 | -65.2 | 0 | 0 | 0 | 0 | 110.1 | R2854 G2875 V2876 W2886 Y2899 N2900 | R2854-S2884 PolarHBondContact NH2-OG 3.47Å; G2875-S2884 CarbonylContact C-O 3.56Å; G2875-S2884 VanDerWaalsContact CA-O 3.25Å; G2875-S2884 WeakPolarHBondContact CA-O 3.28Å; V2876-S2884 PolarHBondContact N-O 3Å; V2876-S2884 PolarHBondContact O-N 2.89Å; S2884-W2886 VanDerWaalsContact C-CZ3 3.43Å; S2884-W2886 VanDerWaalsContact CB-CZ3 3.44Å; S2884-W2886 WeakPolarHBondContact O-CZ3 3.17Å; S2884-Y2899 CarbonylContact C-O 3.55Å; S2884-Y2899 WeakPolarHBondContact CA-O 3.31Å; S2884-N2900 PolarHBondContact OG-OD1 3.16Å |
| 2885 | L | 92.5 | Very high | 80.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.9 | 179 | -49.6 | 174.3 | 0 | 0 | 0 | 111.5 | F2874 L2883 P2897 F2898 Y2899 F2913 L2921 T2938 | F2874-L2885 CarbonylContact O-C 3.48Å; F2874-L2885 WeakPolarHBondContact O-CA 3.25Å; L2883-L2885 HydrophobicContact CD1-CD2 4.05Å; L2883-L2885 HydrophobicContact CG-CD2 4.23Å; L2885-P2897 CarbonylContact O-C 3.53Å; L2885-P2897 VanDerWaalsContact O-CA 3.23Å; L2885-P2897 WeakPolarHBondContact O-CA 3.23Å; L2885-P2897 VanDerWaalsContact O-CB 3.25Å; L2885-P2897 WeakPolarHBondContact O-CB 3.27Å; L2885-F2898 VanDerWaalsContact C-CE1 3.48Å; L2885-F2898 HydrophobicContact CB-CD1 4.23Å; L2885-F2898 HydrophobicContact CB-CE1 3.47Å; L2885-F2898 VanDerWaalsContact CB-CE1 3.47Å; L2885-F2898 HydrophobicContact CB-CE2 4.23Å; L2885-F2898 HydrophobicContact CB-CZ 3.45Å; L2885-F2898 VanDerWaalsContact CB-CZ 3.45Å; L2885-F2898 HydrophobicContact CD1-CE2 4.33Å; L2885-F2898 HydrophobicContact CD1-CZ 3.92Å; L2885-F2898 HydrophobicContact CG-CZ 4.35Å; L2885-F2898 VanDerWaalsContact O-CD1 3.24Å; L2885-F2898 WeakPolarHBondContact O-CD1 3.49Å; L2885-F2898 PolarHBondContact O-N 3.5Å; L2885-Y2899 HydrophobicContact CD1-CD1 3.81Å; L2885-Y2899 HydrophobicContact CD1-CG 4.12Å; L2885-Y2899 HydrophobicContact CG-CD1 4.23Å; L2885-Y2899 PolarHBondContact N-O 3.32Å; L2885-F2913 HydrophobicContact CD2-CZ 4.09Å; L2885-L2921 HydrophobicContact CD1-CD1 3.6Å; L2885-L2921 HydrophobicContact CD2-CD1 4.15Å; L2885-L2921 HydrophobicContact CG-CD1 4.45Å; L2885-T2938 HydrophobicContact CD1-CG2 3.63Å |
| 2886 | W | 91 | Very high | 80.3 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 2% | 0.023 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157.3 | 179 | -65.9 | -101.7 | 0 | 0 | 0 | 110.9 | P2853 R2854 K2873 F2874 V2876 S2884 P2897 F2898 | P2853-W2886 HydrophobicContact CB-CD2 4.36Å; P2853-W2886 HydrophobicContact CB-CZ2 4.27Å; R2854-W2886 HydrophobicContact CG-CH2 4.31Å; R2854-W2886 HydrophobicContact CG-CZ2 3.96Å; K2873-W2886 VanDerWaalsContact CA-O 3.26Å; K2873-W2886 WeakPolarHBondContact CA-O 3.41Å; F2874-W2886 HydrophobicContact CD1-CB 3.79Å; F2874-W2886 HydrophobicContact CD2-CB 4.48Å; F2874-W2886 HydrophobicContact CD2-CD2 4.49Å; F2874-W2886 AromaticContact CD2-CE3 3.82Å; F2874-W2886 HydrophobicContact CD2-CE3 3.82Å; F2874-W2886 HydrophobicContact CD2-CZ3 4.44Å; F2874-W2886 HydrophobicContact CE1-CB 3.25Å; F2874-W2886 AromaticContact CE1-CG 3.98Å; F2874-W2886 HydrophobicContact CE1-CG 3.98Å; F2874-W2886 HydrophobicContact CE2-CB 3.96Å; F2874-W2886 AromaticContact CE2-CD2 3.66Å; F2874-W2886 HydrophobicContact CE2-CD2 3.66Å; F2874-W2886 AromaticContact CE2-CE3 3.32Å; F2874-W2886 HydrophobicContact CE2-CE3 3.32Å; F2874-W2886 AromaticContact CE2-CG 3.97Å; F2874-W2886 HydrophobicContact CE2-CG 3.97Å; F2874-W2886 AromaticContact CE2-CZ3 3.98Å; F2874-W2886 HydrophobicContact CE2-CZ3 3.98Å; F2874-W2886 HydrophobicContact CG-CB 4.42Å; F2874-W2886 HydrophobicContact CZ-CB 3.32Å; F2874-W2886 AromaticContact CZ-CD2 3.7Å; F2874-W2886 HydrophobicContact CZ-CD2 3.7Å; F2874-W2886 AromaticContact CZ-CE3 3.86Å; F2874-W2886 HydrophobicContact CZ-CE3 3.86Å; F2874-W2886 AromaticContact CZ-CG 3.5Å; F2874-W2886 HydrophobicContact CZ-CG 3.5Å; F2874-W2886 PolarHBondContact N-O 3.07Å; F2874-W2886 PolarHBondContact O-N 2.87Å; V2876-W2886 HydrophobicContact CB-CH2 3.87Å; V2876-W2886 HydrophobicContact CB-CZ3 3.55Å; V2876-W2886 HydrophobicContact CG2-CE3 4.16Å; V2876-W2886 HydrophobicContact CG2-CH2 3.8Å; V2876-W2886 HydrophobicContact CG2-CZ3 3.31Å; S2884-W2886 VanDerWaalsContact C-CZ3 3.43Å; S2884-W2886 VanDerWaalsContact CB-CZ3 3.44Å; S2884-W2886 WeakPolarHBondContact O-CZ3 3.17Å; W2886-P2897 HydrophobicContact CD2-CB 4.14Å; W2886-P2897 HydrophobicContact CG-CB 4.5Å; W2886-P2897 HydrophobicContact CZ2-CB 4.03Å; W2886-P2897 HydrophobicContact CZ2-CG 4.42Å; W2886-F2898 VanDerWaalsContact C-CE1 3.5Å |
| 2887 | H | 87.5 | Confident | 80 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.3 | 175 | -171 | 51.3 | 0 | 0 | 0 | 110.3 | S2872 T2892 | S2872-H2887 PolarHBondContact O-CE1 3.31Å; S2872-H2887 PolarHBondContact O-ND1 2.72Å; H2887-T2892 VanDerWaalsContact O-CG2 3.32Å; H2887-T2892 WeakPolarHBondContact O-CG2 3.44Å |
| 2888 | I | 80.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | trans | -116.4 | 115.7 | 178.4 | -49 | -177.5 | 0 | 0 | 0 | 108.2 | M2827 F2867 S2872 F2874 | M2827-I2888 HydrophobicContact CE-CG2 3.9Å; F2867-I2888 HydrophobicContact CD1-CD1 3.77Å; F2867-I2888 HydrophobicContact CE1-CD1 3.31Å; F2867-I2888 HydrophobicContact CZ-CD1 4.48Å; S2872-I2888 PolarHBondContact O-N 3.4Å; F2874-I2888 HydrophobicContact CB-CD1 4.36Å; F2874-I2888 HydrophobicContact CD1-CD1 3.52Å; F2874-I2888 HydrophobicContact CD1-CG1 3.49Å; F2874-I2888 VanDerWaalsContact CD1-CG1 3.49Å; F2874-I2888 HydrophobicContact CE1-CD1 4.21Å; F2874-I2888 HydrophobicContact CE1-CG1 3.91Å; F2874-I2888 HydrophobicContact CG-CD1 4.34Å | ||
| 2889 | G | 70.7 | Confident | 79.6 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | trans | -134.9 | 171.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G2891 T2892 | G2889-G2891 PolarHBondContact O-N 3.29Å; G2889-T2892 VanDerWaalsContact N-CG2 3.31Å; G2889-T2892 PolarHBondContact O-N 3.22Å | ||
| 2890 | T | 58.9 | Low | 79.5 | Confident | 152 Ų | 152 | 67.6 Ų | 67.6 | 93% | 0.933 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -16 | -175.3 | 18.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 2891 | G | 57.9 | Low | 79.5 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G2889 T2893 | G2889-G2891 PolarHBondContact O-N 3.29Å; G2891-T2893 PolarHBondContact O-N 2.98Å |
| 2892 | T | 56.8 | Low | 79.5 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 27% | 0.27 | 38% | 0.381 | S | S | . | . | trans | -56 | 97.7 | -177 | 44.3 | 0 | 0 | 0 | 0 | 113.9 | H2887 G2889 | H2887-T2892 VanDerWaalsContact O-CG2 3.32Å; H2887-T2892 WeakPolarHBondContact O-CG2 3.44Å; G2889-T2892 VanDerWaalsContact N-CG2 3.31Å; G2889-T2892 PolarHBondContact O-N 3.22Å | ||
| 2893 | T | 55 | Low | 79.3 | Confident | 123 Ų | 123 | 69.2 Ų | 69.2 | 76% | 0.755 | 38% | 0.375 | S | S | * | . | trans | -103.9 | -12.5 | 171.9 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | G2891 K2895 | G2891-T2893 PolarHBondContact O-N 2.98Å; T2893-K2895 PolarHBondContact O-N 2.71Å | ||
| 2894 | L | 57.9 | Low | 79 | Confident | 136 Ų | 136 | 69.4 Ų | 69.4 | 71% | 0.712 | 38% | 0.375 | S | S | * | . | trans | -72.1 | 109 | -177.3 | -71.5 | 165.7 | 0 | 0 | 0 | 110.7 | Y2851 | Y2851-L2894 PolarHBondContact OH-O 3.26Š| ||
| 2895 | K | 66.6 | Low | 78.5 | Confident | 167 Ų | 167 | 71.7 Ų | 71.7 | 73% | 0.726 | 40% | 0.395 | S | S | * | . | trans | -77.9 | -16.3 | 176.2 | -66.8 | -173.9 | 178.9 | -178.7 | 0 | 114 | T2893 | T2893-K2895 PolarHBondContact O-N 2.71Š| ||
| 2896 | K | 81.8 | Confident | 78.2 | Confident | 174 Ų | 174 | 77.2 Ų | 77.2 | 76% | 0.757 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -93.7 | 140.1 | -175.7 | -67.9 | -177.1 | 178.8 | 179.1 | 0 | 111 | ||
| 2897 | P | 88.1 | Confident | 78.1 | Confident | 44 Ų | 44 | 78.7 Ų | 78.7 | 29% | 0.286 | 43% | 0.428 | S | S | . | . | trans | -65.5 | 142.1 | 171.3 | 28.2 | -33.3 | 0 | 0 | 0 | 110.2 | L2885 W2886 Y2899 N2900 | L2885-P2897 CarbonylContact O-C 3.53Å; L2885-P2897 VanDerWaalsContact O-CA 3.23Å; L2885-P2897 WeakPolarHBondContact O-CA 3.23Å; L2885-P2897 VanDerWaalsContact O-CB 3.25Å; L2885-P2897 WeakPolarHBondContact O-CB 3.27Å; W2886-P2897 HydrophobicContact CD2-CB 4.14Å; W2886-P2897 HydrophobicContact CG-CB 4.5Å; W2886-P2897 HydrophobicContact CZ2-CB 4.03Å; W2886-P2897 HydrophobicContact CZ2-CG 4.42Å; P2897-Y2899 VanDerWaalsContact C-N 3.27Å; P2897-N2900 HydrophobicContact CG-CB 4.29Å | ||
| 2898 | F | 88.1 | Confident | 78.2 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 45% | 0.452 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -77 | -20.8 | 175.2 | 74.6 | -94.4 | 0 | 0 | 0 | 111.8 | K2873 L2885 W2886 | K2873-F2898 HydrophobicContact CD-CE1 4.39Å; K2873-F2898 HydrophobicContact CD-CZ 4.04Å; L2885-F2898 VanDerWaalsContact C-CE1 3.48Å; L2885-F2898 HydrophobicContact CB-CD1 4.23Å; L2885-F2898 HydrophobicContact CB-CE1 3.47Å; L2885-F2898 VanDerWaalsContact CB-CE1 3.47Å; L2885-F2898 HydrophobicContact CB-CE2 4.23Å; L2885-F2898 HydrophobicContact CB-CZ 3.45Å; L2885-F2898 VanDerWaalsContact CB-CZ 3.45Å; L2885-F2898 HydrophobicContact CD1-CE2 4.33Å; L2885-F2898 HydrophobicContact CD1-CZ 3.92Å; L2885-F2898 HydrophobicContact CG-CZ 4.35Å; L2885-F2898 VanDerWaalsContact O-CD1 3.24Å; L2885-F2898 WeakPolarHBondContact O-CD1 3.49Å; L2885-F2898 PolarHBondContact O-N 3.5Å; W2886-F2898 VanDerWaalsContact C-CE1 3.5Å |
| 2899 | Y | 88.6 | Confident | 78.7 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 9% | 0.09 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 130.7 | 179.7 | -165.4 | -96.6 | 0 | 0 | 0 | 109.9 | S2884 L2885 P2897 V2901 T2938 S2945 | S2884-Y2899 CarbonylContact C-O 3.55Å; S2884-Y2899 WeakPolarHBondContact CA-O 3.31Å; L2885-Y2899 HydrophobicContact CD1-CD1 3.81Å; L2885-Y2899 HydrophobicContact CD1-CG 4.12Å; L2885-Y2899 HydrophobicContact CG-CD1 4.23Å; L2885-Y2899 PolarHBondContact N-O 3.32Å; P2897-Y2899 VanDerWaalsContact C-N 3.27Å; Y2899-V2901 HydrophobicContact CD1-CG2 4.11Å; Y2899-V2901 HydrophobicContact CE1-CB 4.04Å; Y2899-V2901 HydrophobicContact CE1-CG2 3.38Å; Y2899-V2901 HydrophobicContact CE2-CG2 4.35Å; Y2899-T2938 HydrophobicContact CD1-CG2 4.22Å; Y2899-T2938 HydrophobicContact CE1-CG2 4.08Å; Y2899-T2938 HydrophobicContact CE2-CG2 4.4Å; Y2899-T2938 HydrophobicContact CG-CG2 4.44Å; Y2899-S2945 WeakPolarHBondContact OH-CB 3.46Å; Y2899-S2945 PolarHBondContact OH-OG 3.25Å |
| 2900 | N | 90.5 | Very high | 79.8 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 119.9 | 178 | -172.7 | -4.6 | 0 | 0 | 0 | 109.6 | L2883 S2884 P2897 | L2883-N2900 WeakPolarHBondContact O-CA 3.2Å; L2883-N2900 PolarHBondContact O-OD1 2.8Å; S2884-N2900 PolarHBondContact OG-OD1 3.16Å; P2897-N2900 HydrophobicContact CG-CB 4.29Å |
| 2901 | V | 90.2 | Very high | 81.4 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.5 | -176.7 | 173.4 | 0 | 0 | 0 | 0 | 110 | C2882 L2883 Y2899 C2903 W2936 P2942 | C2882-V2901 WeakPolarHBondContact CA-O 3.4Å; L2883-V2901 PolarHBondContact N-O 2.76Å; L2883-V2901 PolarHBondContact O-N 2.94Å; Y2899-V2901 HydrophobicContact CD1-CG2 4.11Å; Y2899-V2901 HydrophobicContact CE1-CB 4.04Å; Y2899-V2901 HydrophobicContact CE1-CG2 3.38Å; Y2899-V2901 HydrophobicContact CE2-CG2 4.35Å; V2901-C2903 PolarHBondContact O-N 2.86Å; V2901-W2936 HydrophobicContact CG1-CE3 4.2Å; V2901-W2936 HydrophobicContact CG1-CH2 3.96Å; V2901-W2936 HydrophobicContact CG1-CZ3 3.57Å; V2901-P2942 HydrophobicContact CG2-CB 4.01Å |
| 2902 | K | 89.7 | Confident | 83.1 | Confident | 133 Ų | 133 | 63.2 Ų | 63.2 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 104.3 | 169.6 | -170.2 | 170.3 | -174 | 172.7 | 0 | 109.4 | D2880 H2904 | D2880-K2902 WeakPolarHBondContact O-CE 3.36Å; K2902-H2904 WeakPolarHBondContact CE-O 2.83Å |
| 2903 | C | 86.9 | Confident | 84.8 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | trans | -84.1 | -40.2 | -173.2 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | G2881 L2883 V2901 T2923 W2936 | G2881-C2903 PolarHBondContact O-N 3.11Å; L2883-C2903 WeakPolarHBondContact CB-SG 3.39Å; V2901-C2903 PolarHBondContact O-N 2.86Å; C2903-T2923 HydrophobicContact CB-CG2 4.26Å; C2903-W2936 VanDerWaalsContact CA-CZ2 3.43Å; C2903-W2936 HydrophobicContact CB-CH2 4.31Å; C2903-W2936 HydrophobicContact CB-CZ2 3.57Å | ||
| 2904 | H | 86.5 | Confident | 86.5 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | trans | -129.6 | 155.3 | -178 | -63.4 | -80.7 | 0 | 0 | 0 | 111.1 | G2881 K2902 T2907 T2923 G2925 S2931 | G2881-H2904 PolarHBondContact O-N 2.83Å; K2902-H2904 WeakPolarHBondContact CE-O 2.83Å; H2904-T2907 WeakPolarHBondContact CB-O 3.41Å; H2904-T2923 PolarHBondContact NE2-OG1 3.06Å; H2904-G2925 PolarHBondContact NE2-N 2.84Å; H2904-S2931 PolarHBondContact ND1-O 2.88Å | ||
| 2905 | A | 83.1 | Confident | 87.4 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.6 | -38.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 2906 | K | 85.2 | Confident | 87.7 | Confident | 117 Ų | 117 | 51.1 Ų | 51.1 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -104 | -72.6 | -178.4 | -67 | 178.6 | 177.9 | 177.6 | 0 | 111.1 | D2880 Q2926 | D2880-K2906 CarbonylContact C-O 3.6Å; K2906-Q2926 HydrophobicContact CB-CB 4.23Å; K2906-Q2926 WeakPolarHBondContact CB-O 3.15Å; K2906-Q2926 HydrophobicContact CD-CG 4.05Å; K2906-Q2926 PolarHBondContact N-O 2.75Å |
| 2907 | T | 88.7 | Confident | 86.8 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.4 | -174.8 | 64.9 | 0 | 0 | 0 | 0 | 110.1 | A2879 H2904 N2909 G2925 Q2926 | A2879-T2907 WeakPolarHBondContact O-CA 3.47Å; A2879-T2907 WeakPolarHBondContact O-CG2 3.26Å; H2904-T2907 WeakPolarHBondContact CB-O 3.41Å; T2907-N2909 PolarHBondContact OG1-OD1 3.14Å; T2907-G2925 CarbonylContact O-C 3.37Å; T2907-G2925 WeakPolarHBondContact O-CA 3.46Å; T2907-Q2926 PolarHBondContact O-N 3.3Å |
| 2908 | C | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.4 | 164.9 | -172.1 | 0 | 0 | 0 | 0 | 106.3 | T2863 T2877 D2878 A2924 | T2863-C2908 WeakPolarHBondContact CB-O 3.34Å; T2863-C2908 VanDerWaalsContact CG2-O 3.31Å; T2863-C2908 WeakPolarHBondContact CG2-O 3.27Å; T2863-C2908 PolarHBondContact OG1-O 2.91Å; T2877-C2908 HydrophobicContact CG2-CB 4.31Å; T2877-C2908 WeakPolarHBondContact CG2-SG 3.21Å; D2878-C2908 PolarHBondContact O-N 2.93Å; C2908-A2924 CarbonylContact C-O 3.6Å |
| 2909 | N | 90.8 | Very high | 86.2 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 17% | 0.171 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -35.8 | -172.4 | -70.2 | -25.4 | 0 | 0 | 0 | 112.7 | T2907 A2924 I2957 | T2907-N2909 PolarHBondContact OG1-OD1 3.14Å; N2909-A2924 PolarHBondContact N-O 3.2Å; N2909-I2957 WeakPolarHBondContact CB-O 3.12Å; N2909-I2957 PolarHBondContact ND2-O 2.88Å |
| 2910 | D | 92.5 | Very high | 86.3 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161 | -178.1 | -157.5 | -8.1 | 0 | 0 | 0 | 110.4 | Q2864 R2866 A2924 C2959 L2960 | Q2864-D2910 WeakPolarHBondContact CG-OD1 3.24Å; Q2864-D2910 PolarHBondContact NE2-OD1 2.78Å; R2866-D2910 IonicContact NE-OD1 3.88Å; R2866-D2910 IonicContact NH2-OD1 2.63Å; R2866-D2910 PolarHBondContact NH2-OD1 2.7Å; R2866-D2910 IonicContact NH2-OD2 2.79Å; D2910-A2924 PolarHBondContact N-O 3.39Å; D2910-A2924 PolarHBondContact O-N 2.66Å; D2910-C2959 VanDerWaalsContact OD2-CA 3.24Å; D2910-C2959 WeakPolarHBondContact OD2-CA 3.29Å; D2910-L2960 HydrophobicContact CB-CB 4.37Å; D2910-L2960 PolarHBondContact OD2-N 2.85Å |
| 2911 | F | 94.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 158.1 | 171.2 | 79.9 | -76.5 | 0 | 0 | 0 | 111 | Q2864 R2866 G2875 T2877 L2883 F2913 L2921 A2922 T2923 | Q2864-F2911 HydrophobicContact CB-CD1 4.19Å; Q2864-F2911 HydrophobicContact CB-CE1 4.41Å; Q2864-F2911 HydrophobicContact CG-CD1 4.03Å; Q2864-F2911 HydrophobicContact CG-CE1 4.13Å; R2866-F2911 HydrophobicContact CB-CE1 3.99Å; R2866-F2911 HydrophobicContact CB-CE2 3.73Å; R2866-F2911 HydrophobicContact CB-CZ 3.4Å; R2866-F2911 VanDerWaalsContact CB-CZ 3.4Å; R2866-F2911 HydrophobicContact CG-CD1 4.39Å; R2866-F2911 HydrophobicContact CG-CE1 3.98Å; R2866-F2911 HydrophobicContact CG-CE2 4.26Å; R2866-F2911 HydrophobicContact CG-CZ 3.89Å; R2866-F2911 VanDerWaalsContact CG-O 3.31Å; R2866-F2911 WeakPolarHBondContact CG-O 3.02Å; R2866-F2911 VanDerWaalsContact N-CZ 3.32Å; G2875-F2911 VanDerWaalsContact CA-CZ 3.48Å; G2875-F2911 VanDerWaalsContact O-CZ 3.26Å; G2875-F2911 WeakPolarHBondContact O-CZ 3.22Å; T2877-F2911 HydrophobicContact CG2-CB 4.03Å; T2877-F2911 HydrophobicContact CG2-CD1 3.34Å; T2877-F2911 HydrophobicContact CG2-CE1 4.01Å; T2877-F2911 HydrophobicContact CG2-CG 3.84Å; L2883-F2911 HydrophobicContact CD1-CD1 4.27Å; L2883-F2911 HydrophobicContact CD1-CD2 3.91Å; L2883-F2911 HydrophobicContact CD1-CE1 4.44Å; L2883-F2911 HydrophobicContact CD1-CE2 4.1Å; L2883-F2911 HydrophobicContact CD1-CG 4Å; L2883-F2911 HydrophobicContact CD1-CZ 4.37Å; F2911-F2913 HydrophobicContact CE2-CD2 4.18Å; F2911-F2913 AromaticContact CE2-CE2 3.65Å; F2911-F2913 HydrophobicContact CE2-CE2 3.65Å; F2911-F2913 HydrophobicContact CE2-CZ 4.19Å; F2911-F2913 HydrophobicContact CZ-CE2 4.34Å; F2911-L2921 HydrophobicContact CD2-CD2 4.38Å; F2911-A2922 CarbonylContact C-O 3.54Å; F2911-A2922 WeakPolarHBondContact CA-O 3.47Å; F2911-A2922 WeakPolarHBondContact CB-O 3.17Å; F2911-T2923 HydrophobicContact CB-CG2 3.95Å |
| 2912 | V | 93.8 | Very high | 86.5 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 9% | 0.085 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 139.5 | -178.4 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | L2921 A2922 L2960 | V2912-L2921 WeakPolarHBondContact O-CA 3.14Å; V2912-A2922 PolarHBondContact N-O 3.01Å; V2912-A2922 PolarHBondContact O-N 3.11Å; V2912-L2960 HydrophobicContact CG2-CB 3.85Å; V2912-L2960 WeakPolarHBondContact CG2-O 3.17Å |
| 2913 | F | 92.4 | Very high | 86.7 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.7 | 169.7 | -70 | -92.5 | 0 | 0 | 0 | 111.3 | R2866 F2867 L2885 F2911 L2921 | R2866-F2913 HydrophobicContact CB-CD2 4.17Å; R2866-F2913 HydrophobicContact CB-CE2 4.1Å; F2867-F2913 VanDerWaalsContact O-CD2 3.27Å; F2867-F2913 WeakPolarHBondContact O-CD2 3.29Å; L2885-F2913 HydrophobicContact CD2-CZ 4.09Å; F2911-F2913 HydrophobicContact CE2-CD2 4.18Å; F2911-F2913 AromaticContact CE2-CE2 3.65Å; F2911-F2913 HydrophobicContact CE2-CE2 3.65Å; F2911-F2913 HydrophobicContact CE2-CZ 4.19Å; F2911-F2913 HydrophobicContact CZ-CE2 4.34Å; F2913-L2921 HydrophobicContact CB-CD2 4.13Å; F2913-L2921 HydrophobicContact CD1-CD2 3.1Å; F2913-L2921 HydrophobicContact CD1-CG 4.21Å; F2913-L2921 HydrophobicContact CD2-CD2 4.09Å; F2913-L2921 HydrophobicContact CE1-CD2 3.35Å; F2913-L2921 HydrophobicContact CE1-CG 4.35Å; F2913-L2921 HydrophobicContact CE2-CD2 4.29Å; F2913-L2921 HydrophobicContact CG-CD2 3.5Å; F2913-L2921 VanDerWaalsContact CG-CD2 3.5Å; F2913-L2921 HydrophobicContact CZ-CD2 3.95Å |
| 2914 | L | 89.1 | Confident | 86.9 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.3 | 178.1 | -53.4 | 178.9 | 0 | 0 | 0 | 109.8 | L2920 A2922 L2935 Y2962 L2969 V2983 | L2914-L2920 HydrophobicContact CB-CB 3.91Å; L2914-L2920 HydrophobicContact CD1-CB 4.37Å; L2914-L2920 PolarHBondContact N-O 3.37Å; L2914-A2922 HydrophobicContact CD1-CB 4.38Å; L2914-A2922 HydrophobicContact CD2-CB 4.38Å; L2914-L2935 HydrophobicContact CD1-CD1 3.2Å; L2914-Y2962 HydrophobicContact CB-CE1 4.37Å; L2914-Y2962 HydrophobicContact CD2-CD1 3.75Å; L2914-Y2962 HydrophobicContact CD2-CD2 3.35Å; L2914-Y2962 HydrophobicContact CD2-CE1 4.09Å; L2914-Y2962 HydrophobicContact CD2-CE2 3.75Å; L2914-Y2962 HydrophobicContact CD2-CG 3.35Å; L2914-L2969 HydrophobicContact CD2-CD1 4.4Å; L2914-V2983 HydrophobicContact CD1-CG1 4.33Å |
| 2915 | G | 77.4 | Confident | 86.9 | Confident | 33 Ų | 33 | 30.2 Ų | 30.2 | 34% | 0.34 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 74.4 | 178.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 2916 | Q | 72.7 | Confident | 86.9 | Confident | 154 Ų | 154 | 31 Ų | 31 | 72% | 0.72 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -30.7 | -176.2 | -67.1 | 161.9 | -11.1 | 0 | 0 | 112.7 | S2918 | Q2916-S2918 PolarHBondContact O-N 3.35Å; Q2916-S2918 PolarHBondContact O-OG 2.64Å |
| 2917 | S | 64 | Low | 86 | Confident | 85 Ų | 85 | 26.6 Ų | 26.6 | 59% | 0.594 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -10.2 | -175.4 | -171.3 | 0 | 0 | 0 | 0 | 114.3 | S2919 | S2917-S2919 PolarHBondContact O-N 3.33Å; S2917-S2919 PolarHBondContact OG-OG 2.86Å |
| 2918 | S | 77.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 54.3 | 19.5 | 178 | -47 | 0 | 0 | 0 | 0 | 114.7 | S2868 Q2916 | S2868-S2918 WeakPolarHBondContact CB-OG 3.35Å; Q2916-S2918 PolarHBondContact O-N 3.35Å; Q2916-S2918 PolarHBondContact O-OG 2.64Å |
| 2919 | S | 85.2 | Confident | 82.7 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | trans | -98.1 | -36.8 | -176.2 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | S2917 T2938 | S2917-S2919 PolarHBondContact O-N 3.33Å; S2917-S2919 PolarHBondContact OG-OG 2.86Å; S2919-T2938 VanDerWaalsContact CA-OG1 3.28Å; S2919-T2938 WeakPolarHBondContact CA-OG1 3.33Å; S2919-T2938 WeakPolarHBondContact O-CB 3.13Å; S2919-T2938 WeakPolarHBondContact O-CG2 3.2Å; S2919-T2938 PolarHBondContact O-N 2.83Å; S2919-T2938 PolarHBondContact O-OG1 2.94Å | ||
| 2920 | L | 90.1 | Very high | 81.1 | Confident | 63 Ų | 63 | 42 Ų | 42 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.9 | 178.6 | -69 | 171.6 | 0 | 0 | 0 | 111.3 | L2914 W2936 D2937 | L2914-L2920 HydrophobicContact CB-CB 3.91Å; L2914-L2920 HydrophobicContact CD1-CB 4.37Å; L2914-L2920 PolarHBondContact N-O 3.37Å; L2920-W2936 CarbonylContact C-O 3.5Å; L2920-W2936 WeakPolarHBondContact CA-O 3.39Å; L2920-D2937 HydrophobicContact CD2-CB 3.75Å |
| 2921 | L | 92.9 | Very high | 80 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141 | -174.2 | -67.7 | 168.3 | 0 | 0 | 0 | 110.6 | L2883 L2885 F2911 V2912 F2913 L2935 W2936 T2938 | L2883-L2921 HydrophobicContact CD2-CD1 3.99Å; L2885-L2921 HydrophobicContact CD1-CD1 3.6Å; L2885-L2921 HydrophobicContact CD2-CD1 4.15Å; L2885-L2921 HydrophobicContact CG-CD1 4.45Å; F2911-L2921 HydrophobicContact CD2-CD2 4.38Å; V2912-L2921 WeakPolarHBondContact O-CA 3.14Å; F2913-L2921 HydrophobicContact CB-CD2 4.13Å; F2913-L2921 HydrophobicContact CD1-CD2 3.1Å; F2913-L2921 HydrophobicContact CD1-CG 4.21Å; F2913-L2921 HydrophobicContact CD2-CD2 4.09Å; F2913-L2921 HydrophobicContact CE1-CD2 3.35Å; F2913-L2921 HydrophobicContact CE1-CG 4.35Å; F2913-L2921 HydrophobicContact CE2-CD2 4.29Å; F2913-L2921 HydrophobicContact CG-CD2 3.5Å; F2913-L2921 VanDerWaalsContact CG-CD2 3.5Å; F2913-L2921 HydrophobicContact CZ-CD2 3.95Å; L2921-L2935 CarbonylContact O-C 3.55Å; L2921-L2935 WeakPolarHBondContact O-CA 3.45Å; L2921-W2936 HydrophobicContact CB-CB 4.21Å; L2921-W2936 PolarHBondContact N-O 3.41Å; L2921-W2936 PolarHBondContact O-N 2.95Å; L2921-T2938 HydrophobicContact CD1-CG2 3.55Å; L2921-T2938 HydrophobicContact CG-CG2 4.44Å |
| 2922 | A | 92.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F2911 V2912 L2914 A2934 L2960 L2969 | F2911-A2922 CarbonylContact C-O 3.54Å; F2911-A2922 WeakPolarHBondContact CA-O 3.47Å; F2911-A2922 WeakPolarHBondContact CB-O 3.17Å; V2912-A2922 PolarHBondContact N-O 3.01Å; V2912-A2922 PolarHBondContact O-N 3.11Å; L2914-A2922 HydrophobicContact CD1-CB 4.38Å; L2914-A2922 HydrophobicContact CD2-CB 4.38Å; A2922-A2934 CarbonylContact C-O 3.59Å; A2922-A2934 WeakPolarHBondContact CA-O 3.44Å; A2922-L2960 HydrophobicContact CB-CD1 4.49Å; A2922-L2969 HydrophobicContact CB-CD1 3.85Å; A2922-L2969 HydrophobicContact CB-CD2 3.8Å |
| 2923 | T | 93.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.1 | 174.7 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | L2883 C2903 H2904 F2911 V2933 A2934 W2936 L2960 | L2883-T2923 HydrophobicContact CD2-CG2 4.04Å; C2903-T2923 HydrophobicContact CB-CG2 4.26Å; H2904-T2923 PolarHBondContact NE2-OG1 3.06Å; F2911-T2923 HydrophobicContact CB-CG2 3.95Å; T2923-V2933 CarbonylContact O-C 3.49Å; T2923-V2933 VanDerWaalsContact O-CA 3.23Å; T2923-V2933 WeakPolarHBondContact O-CA 3.41Å; T2923-V2933 WeakPolarHBondContact O-CG1 3.27Å; T2923-A2934 PolarHBondContact N-O 3.47Å; T2923-A2934 PolarHBondContact O-N 3.21Å; T2923-W2936 PolarHBondContact OG1-NE1 2.79Å; T2923-L2960 VanDerWaalsContact C-CD1 3.48Å |
| 2924 | A | 91.2 | Very high | 79.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | C2908 N2909 D2910 S2932 I2957 L2960 | C2908-A2924 CarbonylContact C-O 3.6Å; N2909-A2924 PolarHBondContact N-O 3.2Å; D2910-A2924 PolarHBondContact N-O 3.39Å; D2910-A2924 PolarHBondContact O-N 2.66Å; A2924-S2932 WeakPolarHBondContact CA-O 3.36Å; A2924-I2957 HydrophobicContact CB-CB 3.91Å; A2924-I2957 HydrophobicContact CB-CG2 3.6Å; A2924-L2960 HydrophobicContact CB-CD1 3.3Å; A2924-L2960 HydrophobicContact CB-CD2 4.11Å; A2924-L2960 HydrophobicContact CB-CG 3.45Å; A2924-L2960 VanDerWaalsContact CB-CG 3.45Å; A2924-L2960 VanDerWaalsContact N-CD1 3.3Å |
| 2925 | G | 86.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -164.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | H2904 T2907 S2932 | H2904-G2925 PolarHBondContact NE2-N 2.84Å; T2907-G2925 CarbonylContact O-C 3.37Å; T2907-G2925 WeakPolarHBondContact O-CA 3.46Å; G2925-S2932 PolarHBondContact N-O 2.79Å |
| 2926 | Q | 83.3 | Confident | 79.8 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 114.5 | 175.4 | -164.3 | -179.4 | 10.5 | 0 | 0 | 109.8 | K2906 T2907 | K2906-Q2926 HydrophobicContact CB-CB 4.23Å; K2906-Q2926 WeakPolarHBondContact CB-O 3.15Å; K2906-Q2926 HydrophobicContact CD-CG 4.05Å; K2906-Q2926 PolarHBondContact N-O 2.75Å; T2907-Q2926 PolarHBondContact O-N 3.3Å |
| 2927 | G | 67.5 | Low | 80.7 | Confident | 25 Ų | 25 | 35.3 Ų | 35.3 | 26% | 0.258 | 20% | 0.203 | S | C | . | . | trans | -104.6 | 160.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2928 | S | 57.1 | Low | 81.9 | Confident | 83 Ų | 83 | 32.2 Ų | 32.2 | 58% | 0.58 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -87.6 | 115.2 | 158.4 | 61.6 | 0 | 0 | 0 | 0 | 107.6 | ||
| 2929 | L | 53.7 | Low | 82.5 | Confident | 161 Ų | 161 | 38.5 Ų | 38.5 | 84% | 0.843 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 59.7 | 89.1 | 174 | -54.7 | 165.7 | 0 | 0 | 0 | 113.9 | ||
| 2930 | E | 56.9 | Low | 82.6 | Confident | 148 Ų | 148 | 41.2 Ų | 41.2 | 69% | 0.692 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 100.4 | 21.1 | 153.5 | -50.5 | 176.8 | -176.8 | 0 | 0 | 121.3 | N2951 | E2930-N2951 VanDerWaalsContact CA-OD1 3.27Å; E2930-N2951 WeakPolarHBondContact CA-OD1 3.25Å; E2930-N2951 PolarHBondContact O-OD1 3.41Å |
| 2931 | S | 68.1 | Low | 82.4 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -148.9 | 96.8 | 163.5 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | H2904 | H2904-S2931 PolarHBondContact ND1-O 2.88Š| ||
| 2932 | S | 82.6 | Confident | 81.9 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -81.6 | -41 | 172.4 | -62 | 0 | 0 | 0 | 0 | 111.5 | A2924 G2925 W2950 | A2924-S2932 WeakPolarHBondContact CA-O 3.36Å; G2925-S2932 PolarHBondContact N-O 2.79Å; S2932-W2950 PolarHBondContact N-O 3.38Å |
| 2933 | V | 88.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.7 | 172.2 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | T2923 C2949 W2950 I2957 L2960 L2969 W2981 | T2923-V2933 CarbonylContact O-C 3.49Å; T2923-V2933 VanDerWaalsContact O-CA 3.23Å; T2923-V2933 WeakPolarHBondContact O-CA 3.41Å; T2923-V2933 WeakPolarHBondContact O-CG1 3.27Å; V2933-C2949 CarbonylContact O-C 3.54Å; V2933-C2949 WeakPolarHBondContact O-CA 3.31Å; V2933-W2950 HydrophobicContact CB-CB 4.35Å; V2933-W2950 HydrophobicContact CB-CE3 3.86Å; V2933-W2950 HydrophobicContact CG1-CE3 3.57Å; V2933-W2950 HydrophobicContact CG1-CZ3 3.9Å; V2933-W2950 PolarHBondContact N-O 3.15Å; V2933-W2950 PolarHBondContact O-N 3.34Å; V2933-I2957 HydrophobicContact CG2-CD1 3.13Å; V2933-L2960 HydrophobicContact CG1-CD2 4.32Å; V2933-L2960 HydrophobicContact CG2-CD2 4.32Å; V2933-L2969 HydrophobicContact CG1-CD2 3.67Å; V2933-W2981 HydrophobicContact CG2-CH2 3.81Å; V2933-W2981 HydrophobicContact CG2-CZ2 4.13Å; V2933-W2981 HydrophobicContact CG2-CZ3 4.14Å |
| 2934 | A | 89.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A2922 T2923 W2936 H2948 | A2922-A2934 CarbonylContact C-O 3.59Å; A2922-A2934 WeakPolarHBondContact CA-O 3.44Å; T2923-A2934 PolarHBondContact N-O 3.47Å; T2923-A2934 PolarHBondContact O-N 3.21Å; A2934-W2936 HydrophobicContact CB-CZ2 3.98Å; A2934-H2948 CarbonylContact C-O 3.56Å; A2934-H2948 WeakPolarHBondContact CA-O 3.33Å |
| 2935 | L | 91.3 | Very high | 81 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.3 | 174.6 | -179.3 | 68.1 | 0 | 0 | 0 | 108.9 | L2914 L2921 V2947 H2948 W2950 | L2914-L2935 HydrophobicContact CD1-CD1 3.2Å; L2921-L2935 CarbonylContact O-C 3.55Å; L2921-L2935 WeakPolarHBondContact O-CA 3.45Å; L2935-V2947 HydrophobicContact CD2-CB 4.25Å; L2935-V2947 HydrophobicContact CD2-CG1 4.21Å; L2935-V2947 HydrophobicContact CG-CB 4.29Å; L2935-V2947 PolarHBondContact O-N 2.9Å; L2935-H2948 HydrophobicContact CB-CB 4.21Å; L2935-H2948 HydrophobicContact CD2-CB 4.4Å; L2935-H2948 PolarHBondContact N-O 3.47Å; L2935-H2948 PolarHBondContact O-N 2.99Å; L2935-W2950 HydrophobicContact CB-CH2 4.04Å; L2935-W2950 HydrophobicContact CB-CZ3 3.97Å; L2935-W2950 HydrophobicContact CD2-CH2 4.38Å |
| 2936 | W | 91.3 | Very high | 81.1 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.9 | -175.8 | -54.9 | 84.4 | 0 | 0 | 0 | 111 | V2901 C2903 L2920 L2921 T2923 A2934 S2945 N2946 | V2901-W2936 HydrophobicContact CG1-CE3 4.2Å; V2901-W2936 HydrophobicContact CG1-CH2 3.96Å; V2901-W2936 HydrophobicContact CG1-CZ3 3.57Å; C2903-W2936 VanDerWaalsContact CA-CZ2 3.43Å; C2903-W2936 HydrophobicContact CB-CH2 4.31Å; C2903-W2936 HydrophobicContact CB-CZ2 3.57Å; L2920-W2936 CarbonylContact C-O 3.5Å; L2920-W2936 WeakPolarHBondContact CA-O 3.39Å; L2921-W2936 HydrophobicContact CB-CB 4.21Å; L2921-W2936 PolarHBondContact N-O 3.41Å; L2921-W2936 PolarHBondContact O-N 2.95Å; T2923-W2936 PolarHBondContact OG1-NE1 2.79Å; A2934-W2936 HydrophobicContact CB-CZ2 3.98Å; W2936-S2945 CarbonylContact C-O 3.56Å; W2936-S2945 VanDerWaalsContact CA-O 3.23Å; W2936-S2945 WeakPolarHBondContact CA-O 3.48Å; W2936-S2945 WeakPolarHBondContact CZ3-OG 3.49Å; W2936-N2946 HydrophobicContact CD2-CB 4.44Å; W2936-N2946 HydrophobicContact CE3-CB 3.89Å; W2936-N2946 HydrophobicContact CH2-CB 3.92Å; W2936-N2946 HydrophobicContact CZ2-CB 4.46Å; W2936-N2946 WeakPolarHBondContact CZ2-ND2 3.48Å; W2936-N2946 HydrophobicContact CZ3-CB 3.61Å |
| 2937 | D | 91.6 | Very high | 81.4 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 17% | 0.166 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.1 | 167.9 | -171 | -8.1 | 0 | 0 | 0 | 109.3 | L2920 L2939 L2940 S2945 V2947 | L2920-D2937 HydrophobicContact CD2-CB 3.75Å; D2937-L2939 VanDerWaalsContact C-N 3.29Å; D2937-L2939 WeakPolarHBondContact OD1-CB 3.13Å; D2937-L2939 PolarHBondContact OD1-N 2.92Å; D2937-L2940 HydrophobicContact CB-CD1 4.01Å; D2937-L2940 HydrophobicContact CB-CG 4.14Å; D2937-L2940 PolarHBondContact O-N 2.91Å; D2937-S2945 PolarHBondContact N-O 2.83Å; D2937-S2945 WeakPolarHBondContact O-CB 3.39Å; D2937-V2947 HydrophobicContact CB-CG2 3.66Å |
| 2938 | T | 89.2 | Confident | 82.4 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.6 | -179.4 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | L2885 Y2899 S2919 L2921 L2940 | L2885-T2938 HydrophobicContact CD1-CG2 3.63Å; Y2899-T2938 HydrophobicContact CD1-CG2 4.22Å; Y2899-T2938 HydrophobicContact CE1-CG2 4.08Å; Y2899-T2938 HydrophobicContact CE2-CG2 4.4Å; Y2899-T2938 HydrophobicContact CG-CG2 4.44Å; S2919-T2938 VanDerWaalsContact CA-OG1 3.28Å; S2919-T2938 WeakPolarHBondContact CA-OG1 3.33Å; S2919-T2938 WeakPolarHBondContact O-CB 3.13Å; S2919-T2938 WeakPolarHBondContact O-CG2 3.2Å; S2919-T2938 PolarHBondContact O-N 2.83Å; S2919-T2938 PolarHBondContact O-OG1 2.94Å; L2921-T2938 HydrophobicContact CD1-CG2 3.55Å; L2921-T2938 HydrophobicContact CG-CG2 4.44Å; T2938-L2940 VanDerWaalsContact C-N 3.29Å |
| 2939 | L | 89 | Confident | 83.8 | Confident | 134 Ų | 134 | 61.5 Ų | 61.5 | 70% | 0.702 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -21.1 | 173.5 | -61 | 175.3 | 0 | 0 | 0 | 111.9 | D2937 | D2937-L2939 VanDerWaalsContact C-N 3.29Å; D2937-L2939 WeakPolarHBondContact OD1-CB 3.13Å; D2937-L2939 PolarHBondContact OD1-N 2.92Å |
| 2940 | L | 88.8 | Confident | 85.3 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 37% | 0.366 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -84.7 | 149.7 | 176.2 | -65.5 | 178 | 0 | 0 | 0 | 111.1 | D2937 T2938 R2944 V2947 | D2937-L2940 HydrophobicContact CB-CD1 4.01Å; D2937-L2940 HydrophobicContact CB-CG 4.14Å; D2937-L2940 PolarHBondContact O-N 2.91Å; T2938-L2940 VanDerWaalsContact C-N 3.29Å; L2940-R2944 WeakPolarHBondContact CD1-O 3.41Å; L2940-V2947 HydrophobicContact CD1-CG2 4.33Å |
| 2941 | P | 85.4 | Confident | 86.3 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | trans | -57.8 | 148.8 | 174.2 | 23.9 | -33.1 | 0 | 0 | 0 | 110.6 | S2943 R2944 S2945 | P2941-S2943 PolarHBondContact O-N 2.77Å; P2941-R2944 HydrophobicContact CG-CB 4.43Å; P2941-R2944 CarbonylContact O-C 3.51Å; P2941-R2944 PolarHBondContact O-N 3.2Å; P2941-S2945 PolarHBondContact O-N 3.49Å | ||
| 2942 | P | 82.2 | Confident | 86 | Confident | 86 Ų | 86 | 52.6 Ų | 52.6 | 56% | 0.558 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -55.6 | -29.6 | -171.6 | 19.8 | -32.5 | 0 | 0 | 0 | 113.5 | V2901 R2944 S2945 | V2901-P2942 HydrophobicContact CG2-CB 4.01Å; P2942-R2944 VanDerWaalsContact C-N 3.31Å; P2942-R2944 PolarHBondContact O-N 2.88Å; P2942-S2945 PolarHBondContact O-OG 2.72Å |
| 2943 | S | 83.2 | Confident | 85 | Confident | 108 Ų | 108 | 53.4 Ų | 53.4 | 76% | 0.755 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -68.2 | -22.4 | 175.9 | 56.9 | 0 | 0 | 0 | 0 | 115.1 | P2941 | P2941-S2943 PolarHBondContact O-N 2.77Š|
| 2944 | R | 86.2 | Confident | 83.7 | Confident | 192 Ų | 192 | 59 Ų | 59 | 73% | 0.725 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -123.3 | 11.4 | 179.1 | -64.8 | -171.3 | 178.3 | 178.7 | 0.2 | 113.1 | L2940 P2941 P2942 N2946 | L2940-R2944 WeakPolarHBondContact CD1-O 3.41Å; P2941-R2944 HydrophobicContact CG-CB 4.43Å; P2941-R2944 CarbonylContact O-C 3.51Å; P2941-R2944 PolarHBondContact O-N 3.2Å; P2942-R2944 VanDerWaalsContact C-N 3.31Å; P2942-R2944 PolarHBondContact O-N 2.88Å; R2944-N2946 VanDerWaalsContact C-N 3.26Å; R2944-N2946 PolarHBondContact O-N 2.85Å |
| 2945 | S | 89.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -67.8 | -26.1 | -176.7 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | Y2899 W2936 D2937 P2941 P2942 V2947 | Y2899-S2945 WeakPolarHBondContact OH-CB 3.46Å; Y2899-S2945 PolarHBondContact OH-OG 3.25Å; W2936-S2945 CarbonylContact C-O 3.56Å; W2936-S2945 VanDerWaalsContact CA-O 3.23Å; W2936-S2945 WeakPolarHBondContact CA-O 3.48Å; W2936-S2945 WeakPolarHBondContact CZ3-OG 3.49Å; D2937-S2945 PolarHBondContact N-O 2.83Å; D2937-S2945 WeakPolarHBondContact O-CB 3.39Å; P2941-S2945 PolarHBondContact O-N 3.49Å; P2942-S2945 PolarHBondContact O-OG 2.72Å; S2945-V2947 PolarHBondContact O-N 2.96Å | ||
| 2946 | N | 88.5 | Confident | 82.3 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 107.8 | 174 | -168 | -43.8 | 0 | 0 | 0 | 110 | W2936 R2944 H2948 C2949 | W2936-N2946 HydrophobicContact CD2-CB 4.44Å; W2936-N2946 HydrophobicContact CE3-CB 3.89Å; W2936-N2946 HydrophobicContact CH2-CB 3.92Å; W2936-N2946 HydrophobicContact CZ2-CB 4.46Å; W2936-N2946 WeakPolarHBondContact CZ2-ND2 3.48Å; W2936-N2946 HydrophobicContact CZ3-CB 3.61Å; R2944-N2946 VanDerWaalsContact C-N 3.26Å; R2944-N2946 PolarHBondContact O-N 2.85Å; N2946-H2948 PolarHBondContact OD1-N 2.9Å; N2946-H2948 PolarHBondContact OD1-O 2.94Å; N2946-C2949 PolarHBondContact ND2-SG 2.86Å; N2946-C2949 PolarHBondContact OD1-SG 3.46Å |
| 2947 | V | 88.6 | Confident | 82.1 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -38.7 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | L2935 D2937 L2940 S2945 | L2935-V2947 HydrophobicContact CD2-CB 4.25Å; L2935-V2947 HydrophobicContact CD2-CG1 4.21Å; L2935-V2947 HydrophobicContact CG-CB 4.29Å; L2935-V2947 PolarHBondContact O-N 2.9Å; D2937-V2947 HydrophobicContact CB-CG2 3.66Å; L2940-V2947 HydrophobicContact CD1-CG2 4.33Å; S2945-V2947 PolarHBondContact O-N 2.96Å |
| 2948 | H | 88.5 | Confident | 81.9 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 25% | 0.25 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 152.5 | -175.1 | -168.2 | 62.8 | 0 | 0 | 0 | 112.2 | A2934 L2935 N2946 W2950 R2986 | A2934-H2948 CarbonylContact C-O 3.56Å; A2934-H2948 WeakPolarHBondContact CA-O 3.33Å; L2935-H2948 HydrophobicContact CB-CB 4.21Å; L2935-H2948 HydrophobicContact CD2-CB 4.4Å; L2935-H2948 PolarHBondContact N-O 3.47Å; L2935-H2948 PolarHBondContact O-N 2.99Å; N2946-H2948 PolarHBondContact OD1-N 2.9Å; N2946-H2948 PolarHBondContact OD1-O 2.94Å; H2948-W2950 AromaticContact CD2-CD1 3.89Å; H2948-W2950 AromaticContact CD2-CD2 3.87Å; H2948-W2950 AromaticContact CD2-CE2 3.45Å; H2948-W2950 VanDerWaalsContact CD2-CE2 3.45Å; H2948-W2950 AromaticContact CD2-CZ2 3.81Å; H2948-W2950 AromaticContact CD2-NE1 3.41Å; H2948-W2950 PolarHBondContact CD2-NE1 3.43Å; H2948-W2950 AromaticContact NE2-CD1 3.59Å; H2948-W2950 AromaticContact NE2-CE2 3.92Å; H2948-W2950 AromaticContact NE2-NE1 3.36Å; H2948-W2950 PolarHBondContact NE2-NE1 3.16Å; H2948-R2986 PolarHBondContact NE2-O 3.45Å |
| 2949 | C | 87.4 | Confident | 82 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.4 | 176.3 | -71.4 | 0 | 0 | 0 | 0 | 110.2 | V2933 N2946 | V2933-C2949 CarbonylContact O-C 3.54Å; V2933-C2949 WeakPolarHBondContact O-CA 3.31Å; N2946-C2949 PolarHBondContact ND2-SG 2.86Å; N2946-C2949 PolarHBondContact OD1-SG 3.46Å |
| 2950 | W | 85.8 | Confident | 82.2 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132 | 174.8 | -63.9 | -75.8 | 0 | 0 | 0 | 111.5 | S2932 V2933 L2935 H2948 L2969 W2981 R2986 | S2932-W2950 PolarHBondContact N-O 3.38Å; V2933-W2950 HydrophobicContact CB-CB 4.35Å; V2933-W2950 HydrophobicContact CB-CE3 3.86Å; V2933-W2950 HydrophobicContact CG1-CE3 3.57Å; V2933-W2950 HydrophobicContact CG1-CZ3 3.9Å; V2933-W2950 PolarHBondContact N-O 3.15Å; V2933-W2950 PolarHBondContact O-N 3.34Å; L2935-W2950 HydrophobicContact CB-CH2 4.04Å; L2935-W2950 HydrophobicContact CB-CZ3 3.97Å; L2935-W2950 HydrophobicContact CD2-CH2 4.38Å; H2948-W2950 AromaticContact CD2-CD1 3.89Å; H2948-W2950 AromaticContact CD2-CD2 3.87Å; H2948-W2950 AromaticContact CD2-CE2 3.45Å; H2948-W2950 VanDerWaalsContact CD2-CE2 3.45Å; H2948-W2950 AromaticContact CD2-CZ2 3.81Å; H2948-W2950 AromaticContact CD2-NE1 3.41Å; H2948-W2950 PolarHBondContact CD2-NE1 3.43Å; H2948-W2950 AromaticContact NE2-CD1 3.59Å; H2948-W2950 AromaticContact NE2-CE2 3.92Å; H2948-W2950 AromaticContact NE2-NE1 3.36Å; H2948-W2950 PolarHBondContact NE2-NE1 3.16Å; W2950-L2969 HydrophobicContact CE3-CD2 4.43Å; W2950-L2969 HydrophobicContact CH2-CD2 4.38Å; W2950-L2969 HydrophobicContact CZ3-CD2 3.89Å; W2950-W2981 AromaticContact CD1-CD1 3.68Å; W2950-W2981 HydrophobicContact CD2-CG 4.41Å; W2950-W2981 AromaticContact CG-CD1 3.78Å; W2950-W2981 HydrophobicContact CG-CG 4.37Å; W2950-W2981 AromaticContact CG-NE1 3.98Å; W2950-R2986 VanDerWaalsContact NE1-C 3.34Å; W2950-R2986 PolarHBondContact NE1-O 3.07Å; W2950-R2986 VanDerWaalsContact NE1-O 3.07Å |
| 2951 | N | 76.8 | Confident | 82.4 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | trans | -104.4 | 117.3 | 171.4 | -70.5 | -29.3 | 0 | 0 | 0 | 108.7 | E2930 | E2930-N2951 VanDerWaalsContact CA-OD1 3.27Å; E2930-N2951 WeakPolarHBondContact CA-OD1 3.25Å; E2930-N2951 PolarHBondContact O-OD1 3.41Å | ||
| 2952 | C | 61.6 | Low | 82.7 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 25% | 0.25 | 27% | 0.272 | C | S | . | . | trans | -138.6 | -41.8 | -173.1 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | I2957 W2981 | C2952-I2957 VanDerWaalsContact SG-CD1 3.59Å; C2952-W2981 HydrophobicContact CB-CZ2 3.93Å; C2952-W2981 VanDerWaalsContact SG-CZ2 3.55Å | ||
| 2953 | H | 62.1 | Low | 83 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | trans | -122 | 142.1 | -176.9 | -67 | -66.9 | 0 | 0 | 0 | 110.1 | D2955 D2977 S2979 | H2953-D2955 VanDerWaalsContact CB-O 3.23Å; H2953-D2955 WeakPolarHBondContact CB-O 3.08Å; H2953-D2955 PolarHBondContact O-N 2.79Å; H2953-D2977 IonicContact CE1-OD2 3.57Å; H2953-S2979 PolarHBondContact NE2-OG 3.01Å | ||
| 2954 | S | 60.9 | Low | 83.2 | Confident | 119 Ų | 119 | 41.8 Ų | 41.8 | 83% | 0.832 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -63.2 | -20.6 | 168.7 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 2955 | D | 70.4 | Confident | 83.1 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -116.6 | 167.6 | -177.4 | -102.4 | -13.2 | 0 | 0 | 0 | 111.7 | H2953 K2974 H2975 | H2953-D2955 VanDerWaalsContact CB-O 3.23Å; H2953-D2955 WeakPolarHBondContact CB-O 3.08Å; H2953-D2955 PolarHBondContact O-N 2.79Å; D2955-K2974 HydrophobicContact CB-CB 4.28Å; D2955-K2974 HydrophobicContact CB-CD 4.37Å; D2955-K2974 IonicContact OD1-NZ 3.01Å; D2955-K2974 WeakPolarHBondContact OD2-CD 3.46Å; D2955-K2974 IonicContact OD2-NZ 2.82Å; D2955-K2974 PolarHBondContact OD2-NZ 2.9Å; D2955-H2975 IonicContact OD2-CE1 3.64Å; D2955-H2975 IonicContact OD2-NE2 3.96Å |
| 2956 | S | 80.8 | Confident | 82.8 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | trans | -65.2 | 147.1 | -176.8 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2957 | I | 87.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135 | 165.6 | -69.9 | 165.1 | 0 | 0 | 0 | 109.1 | N2909 A2924 V2933 C2952 C2959 L2960 G2972 W2981 | N2909-I2957 WeakPolarHBondContact CB-O 3.12Å; N2909-I2957 PolarHBondContact ND2-O 2.88Å; A2924-I2957 HydrophobicContact CB-CB 3.91Å; A2924-I2957 HydrophobicContact CB-CG2 3.6Å; V2933-I2957 HydrophobicContact CG2-CD1 3.13Å; C2952-I2957 VanDerWaalsContact SG-CD1 3.59Å; I2957-C2959 VanDerWaalsContact CG2-O 3.25Å; I2957-C2959 WeakPolarHBondContact CG2-O 3.46Å; I2957-L2960 HydrophobicContact CG2-CD2 4.41Å; I2957-G2972 WeakPolarHBondContact CA-O 3.25Å; I2957-G2972 WeakPolarHBondContact CG2-O 3.1Å; I2957-W2981 HydrophobicContact CD1-CH2 3.75Å; I2957-W2981 HydrophobicContact CD1-CZ2 4.22Å |
| 2958 | N | 88.7 | Confident | 82.9 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -29.9 | -174.7 | -69.8 | -23.4 | 0 | 0 | 0 | 113.6 | G2972 V3000 | N2958-G2972 PolarHBondContact N-O 2.92Å; N2958-V3000 VanDerWaalsContact CB-O 3.25Å; N2958-V3000 WeakPolarHBondContact CB-O 3.31Å; N2958-V3000 PolarHBondContact ND2-O 3.41Å; N2958-V3000 VanDerWaalsContact ND2-O 3.15Å |
| 2959 | C | 91.4 | Very high | 83.1 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.034 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 152.4 | -177 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | D2910 I2957 G2971 G2972 M3003 | D2910-C2959 VanDerWaalsContact OD2-CA 3.24Å; D2910-C2959 WeakPolarHBondContact OD2-CA 3.29Å; I2957-C2959 VanDerWaalsContact CG2-O 3.25Å; I2957-C2959 WeakPolarHBondContact CG2-O 3.46Å; C2959-G2971 WeakPolarHBondContact O-CA 3.31Å; C2959-G2972 PolarHBondContact O-N 3.38Å; C2959-M3003 HydrophobicContact CB-CB 4.4Å |
| 2960 | L | 93 | Very high | 83.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.8 | 178.6 | -78.3 | 174.4 | 0 | 0 | 0 | 111.1 | R2866 D2910 V2912 A2922 T2923 A2924 V2933 I2957 L2969 L2970 W2981 | R2866-L2960 PolarHBondContact NH2-O 2.87Å; D2910-L2960 HydrophobicContact CB-CB 4.37Å; D2910-L2960 PolarHBondContact OD2-N 2.85Å; V2912-L2960 HydrophobicContact CG2-CB 3.85Å; V2912-L2960 WeakPolarHBondContact CG2-O 3.17Å; A2922-L2960 HydrophobicContact CB-CD1 4.49Å; T2923-L2960 VanDerWaalsContact C-CD1 3.48Å; A2924-L2960 HydrophobicContact CB-CD1 3.3Å; A2924-L2960 HydrophobicContact CB-CD2 4.11Å; A2924-L2960 HydrophobicContact CB-CG 3.45Å; A2924-L2960 VanDerWaalsContact CB-CG 3.45Å; A2924-L2960 VanDerWaalsContact N-CD1 3.3Å; V2933-L2960 HydrophobicContact CG1-CD2 4.32Å; V2933-L2960 HydrophobicContact CG2-CD2 4.32Å; I2957-L2960 HydrophobicContact CG2-CD2 4.41Å; L2960-L2969 HydrophobicContact CD2-CD1 4.34Å; L2960-L2969 HydrophobicContact CD2-CD2 4.25Å; L2960-L2969 HydrophobicContact CD2-CG 4.19Å; L2960-L2970 CarbonylContact C-O 3.59Å; L2960-L2970 VanDerWaalsContact CA-O 3.31Å; L2960-L2970 WeakPolarHBondContact CA-O 3.24Å; L2960-L2970 WeakPolarHBondContact CD2-O 3.39Å; L2960-W2981 HydrophobicContact CD2-CZ3 4.2Å |
| 2961 | A | 92.8 | Very high | 83.6 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L2970 M3003 V3005 | A2961-L2970 HydrophobicContact CB-CB 4.33Å; A2961-L2970 PolarHBondContact N-O 2.95Å; A2961-L2970 PolarHBondContact O-N 2.78Å; A2961-M3003 HydrophobicContact CB-CG 4.26Å; A2961-M3003 HydrophobicContact CB-SD 3.99Å; A2961-V3005 HydrophobicContact CB-CG2 3.77Å |
| 2962 | Y | 91.5 | Very high | 84.3 | Confident | 36 Ų | 36 | 30 Ų | 30 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.2 | 179.6 | 177.3 | -117.3 | 0 | 0 | 0 | 110.7 | L2914 P2964 I2968 V2983 | L2914-Y2962 HydrophobicContact CB-CE1 4.37Å; L2914-Y2962 HydrophobicContact CD2-CD1 3.75Å; L2914-Y2962 HydrophobicContact CD2-CD2 3.35Å; L2914-Y2962 HydrophobicContact CD2-CE1 4.09Å; L2914-Y2962 HydrophobicContact CD2-CE2 3.75Å; L2914-Y2962 HydrophobicContact CD2-CG 3.35Å; Y2962-P2964 HydrophobicContact CD1-CB 4.47Å; Y2962-P2964 HydrophobicContact CE1-CB 3.83Å; Y2962-I2968 WeakPolarHBondContact CD2-O 3.38Å; Y2962-V2983 HydrophobicContact CD2-CG2 4.38Å; Y2962-V2983 HydrophobicContact CE2-CG2 3.92Å |
| 2963 | C | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 106.5 | 174.4 | -52.3 | 0 | 0 | 0 | 0 | 108.9 | Q2967 I2968 F3009 | C2963-Q2967 VanDerWaalsContact O-CA 3.27Å; C2963-Q2967 WeakPolarHBondContact O-CA 3.28Å; C2963-Q2967 PolarHBondContact O-N 2.84Å; C2963-I2968 HydrophobicContact CB-CD1 4.25Å; C2963-I2968 HydrophobicContact CB-CG1 3.64Å; C2963-I2968 PolarHBondContact N-O 3.13Å; C2963-I2968 PolarHBondContact O-N 3.19Å; C2963-F3009 HydrophobicContact CB-CB 4.43Å; C2963-F3009 HydrophobicContact CB-CD1 4.24Å |
| 2964 | P | 86.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -36.8 | -176.3 | 27 | -32.3 | 0 | 0 | 0 | 112.7 | Y2962 Q2966 Q2967 F3009 | Y2962-P2964 HydrophobicContact CD1-CB 4.47Å; Y2962-P2964 HydrophobicContact CE1-CB 3.83Å; P2964-Q2966 PolarHBondContact O-N 2.91Å; P2964-Q2967 VanDerWaalsContact O-CG 3.25Å; P2964-Q2967 WeakPolarHBondContact O-CG 3.44Å; P2964-Q2967 PolarHBondContact O-N 2.88Å; P2964-F3009 HydrophobicContact CG-CD1 4.36Å; P2964-F3009 HydrophobicContact CG-CD2 4.08Å; P2964-F3009 HydrophobicContact CG-CE1 3.8Å; P2964-F3009 HydrophobicContact CG-CE2 3.45Å; P2964-F3009 VanDerWaalsContact CG-CE2 3.45Å; P2964-F3009 HydrophobicContact CG-CG 4.48Å; P2964-F3009 HydrophobicContact CG-CZ 3.3Å |
| 2965 | N | 83.5 | Confident | 87.9 | Confident | 121 Ų | 121 | 29.9 Ų | 29.9 | 65% | 0.647 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -44.2 | -178.7 | -72 | 3.2 | 0 | 0 | 0 | 112.3 | F3009 | N2965-F3009 HydrophobicContact CB-CD2 4.36Š|
| 2966 | Q | 83.1 | Confident | 88.7 | Confident | 64 Ų | 64 | 27.9 Ų | 27.9 | 30% | 0.299 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -7.1 | 179.2 | -60.6 | -175.4 | 16.8 | 0 | 0 | 112.9 | P2964 I2968 L3026 | P2964-Q2966 PolarHBondContact O-N 2.91Å; Q2966-I2968 HydrophobicContact CB-CD1 4.23Å; Q2966-I2968 HydrophobicContact CB-CG1 4.01Å; Q2966-I2968 HydrophobicContact CB-CG2 4.17Å; Q2966-I2968 PolarHBondContact O-N 2.76Å; Q2966-L3026 PolarHBondContact NE2-O 2.87Å |
| 2967 | Q | 88.8 | Confident | 89.1 | Confident | 73 Ų | 73 | 28.9 Ų | 28.9 | 34% | 0.341 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.2 | -173 | -58.6 | -172.8 | -10.6 | 0 | 0 | 113.8 | C2963 P2964 V2983 R2984 | C2963-Q2967 VanDerWaalsContact O-CA 3.27Å; C2963-Q2967 WeakPolarHBondContact O-CA 3.28Å; C2963-Q2967 PolarHBondContact O-N 2.84Å; P2964-Q2967 VanDerWaalsContact O-CG 3.25Å; P2964-Q2967 WeakPolarHBondContact O-CG 3.44Å; P2964-Q2967 PolarHBondContact O-N 2.88Å; Q2967-V2983 WeakPolarHBondContact O-CB 3.48Å; Q2967-V2983 WeakPolarHBondContact O-CG2 3.48Å; Q2967-V2983 PolarHBondContact O-N 2.86Å; Q2967-R2984 HydrophobicContact CB-CG 4.47Å |
| 2968 | I | 91.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.9 | 178.6 | 60.8 | 175.1 | 0 | 0 | 0 | 111.6 | Y2962 C2963 Q2966 L2970 I2980 W2981 L3026 | Y2962-I2968 WeakPolarHBondContact CD2-O 3.38Å; C2963-I2968 HydrophobicContact CB-CD1 4.25Å; C2963-I2968 HydrophobicContact CB-CG1 3.64Å; C2963-I2968 PolarHBondContact N-O 3.13Å; C2963-I2968 PolarHBondContact O-N 3.19Å; Q2966-I2968 HydrophobicContact CB-CD1 4.23Å; Q2966-I2968 HydrophobicContact CB-CG1 4.01Å; Q2966-I2968 HydrophobicContact CB-CG2 4.17Å; Q2966-I2968 PolarHBondContact O-N 2.76Å; I2968-L2970 HydrophobicContact CD1-CD2 4.28Å; I2968-I2980 HydrophobicContact CB-CG2 4.15Å; I2968-I2980 HydrophobicContact CD1-CG2 4.13Å; I2968-I2980 HydrophobicContact CG2-CG2 4.34Å; I2968-W2981 CarbonylContact C-O 3.51Å; I2968-W2981 WeakPolarHBondContact CA-O 3.37Å; I2968-L3026 HydrophobicContact CD1-CD2 4.41Å |
| 2969 | L | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.1 | 170.2 | -173.8 | 72.6 | 0 | 0 | 0 | 108.7 | L2914 A2922 V2933 W2950 L2960 I2980 W2981 V2983 | L2914-L2969 HydrophobicContact CD2-CD1 4.4Å; A2922-L2969 HydrophobicContact CB-CD1 3.85Å; A2922-L2969 HydrophobicContact CB-CD2 3.8Å; V2933-L2969 HydrophobicContact CG1-CD2 3.67Å; W2950-L2969 HydrophobicContact CE3-CD2 4.43Å; W2950-L2969 HydrophobicContact CH2-CD2 4.38Å; W2950-L2969 HydrophobicContact CZ3-CD2 3.89Å; L2960-L2969 HydrophobicContact CD2-CD1 4.34Å; L2960-L2969 HydrophobicContact CD2-CD2 4.25Å; L2960-L2969 HydrophobicContact CD2-CG 4.19Å; L2969-I2980 CarbonylContact O-C 3.58Å; L2969-I2980 WeakPolarHBondContact O-CA 3.23Å; L2969-W2981 HydrophobicContact CB-CB 4.35Å; L2969-W2981 HydrophobicContact CB-CE3 4.09Å; L2969-W2981 HydrophobicContact CD2-CE3 4.04Å; L2969-W2981 HydrophobicContact CG-CE3 3.98Å; L2969-W2981 HydrophobicContact CG-CZ3 4.45Å; L2969-W2981 PolarHBondContact N-O 3.48Å; L2969-W2981 VanDerWaalsContact O-CE3 3.25Å; L2969-W2981 PolarHBondContact O-N 2.9Å; L2969-V2983 HydrophobicContact CB-CG2 3.97Å |
| 2970 | L | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.4 | -179.6 | -58.3 | 171.4 | 0 | 0 | 0 | 109 | L2960 A2961 I2968 S2979 I2980 M3003 V3005 L3012 L3026 | L2960-L2970 CarbonylContact C-O 3.59Å; L2960-L2970 VanDerWaalsContact CA-O 3.31Å; L2960-L2970 WeakPolarHBondContact CA-O 3.24Å; L2960-L2970 WeakPolarHBondContact CD2-O 3.39Å; A2961-L2970 HydrophobicContact CB-CB 4.33Å; A2961-L2970 PolarHBondContact N-O 2.95Å; A2961-L2970 PolarHBondContact O-N 2.78Å; I2968-L2970 HydrophobicContact CD1-CD2 4.28Å; L2970-S2979 CarbonylContact C-O 3.6Å; L2970-S2979 WeakPolarHBondContact CA-O 3.37Å; L2970-I2980 HydrophobicContact CD2-CB 3.97Å; L2970-I2980 HydrophobicContact CD2-CD1 3.86Å; L2970-I2980 HydrophobicContact CD2-CG1 3.51Å; L2970-I2980 HydrophobicContact CD2-CG2 3.77Å; L2970-M3003 HydrophobicContact CB-SD 3.69Å; L2970-M3003 HydrophobicContact CD1-SD 4.47Å; L2970-V3005 HydrophobicContact CD1-CG2 4Å; L2970-L3012 HydrophobicContact CD1-CD1 3.66Å; L2970-L3012 HydrophobicContact CD1-CD2 4.06Å; L2970-L3012 HydrophobicContact CD1-CG 4.4Å; L2970-L3026 HydrophobicContact CD1-CD1 4.38Å; L2970-L3026 HydrophobicContact CD1-CD2 3.94Å; L2970-L3026 HydrophobicContact CD2-CD2 4.35Å |
| 2971 | G | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C2959 V2978 S2979 W2981 | C2959-G2971 WeakPolarHBondContact O-CA 3.31Å; G2971-V2978 CarbonylContact O-C 3.54Å; G2971-V2978 WeakPolarHBondContact O-CA 3.25Å; G2971-S2979 PolarHBondContact N-O 3.39Å; G2971-S2979 PolarHBondContact O-N 2.96Å; G2971-W2981 VanDerWaalsContact N-CZ3 3.26Å |
| 2972 | G | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2957 N2958 C2959 | I2957-G2972 WeakPolarHBondContact CA-O 3.25Å; I2957-G2972 WeakPolarHBondContact CG2-O 3.1Å; N2958-G2972 PolarHBondContact N-O 2.92Å; C2959-G2972 PolarHBondContact O-N 3.38Å |
| 2973 | G | 87.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 168.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H2975 D2977 V3000 | G2973-H2975 VanDerWaalsContact C-N 3.27Å; G2973-H2975 PolarHBondContact O-N 2.86Å; G2973-D2977 PolarHBondContact N-O 2.86Å; G2973-V3000 PolarHBondContact O-N 2.84Å |
| 2974 | K | 85.7 | Confident | 89.1 | Confident | 97 Ų | 97 | 35.4 Ų | 35.4 | 42% | 0.422 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.7 | 177.1 | -173.4 | 173 | 154.5 | -143.9 | 0 | 114.1 | D2955 A2999 | D2955-K2974 HydrophobicContact CB-CB 4.28Å; D2955-K2974 HydrophobicContact CB-CD 4.37Å; D2955-K2974 IonicContact OD1-NZ 3.01Å; D2955-K2974 WeakPolarHBondContact OD2-CD 3.46Å; D2955-K2974 IonicContact OD2-NZ 2.82Å; D2955-K2974 PolarHBondContact OD2-NZ 2.9Å; K2974-A2999 HydrophobicContact CG-CB 4.28Å; K2974-A2999 WeakPolarHBondContact O-CA 3.37Å; K2974-A2999 WeakPolarHBondContact O-CB 3.33Å; K2974-A2999 PolarHBondContact O-N 2.79Å |
| 2975 | H | 86.6 | Confident | 89.2 | Confident | 89 Ų | 89 | 39.1 Ų | 39.1 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.1 | -179.7 | -61.6 | -59.4 | 0 | 0 | 0 | 114.2 | D2955 G2973 D2977 | D2955-H2975 IonicContact OD2-CE1 3.64Å; D2955-H2975 IonicContact OD2-NE2 3.96Å; G2973-H2975 VanDerWaalsContact C-N 3.27Å; G2973-H2975 PolarHBondContact O-N 2.86Å; H2975-D2977 VanDerWaalsContact C-N 3.33Å |
| 2976 | G | 87.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 87 | 2.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A2994 F2995 S2998 | G2976-A2994 WeakPolarHBondContact O-CA 3.46Å; G2976-A2994 WeakPolarHBondContact O-CB 3.5Å; G2976-A2994 PolarHBondContact O-N 3.15Å; G2976-F2995 PolarHBondContact O-N 3.13Å; G2976-S2998 WeakPolarHBondContact CA-O 3.47Å; G2976-S2998 PolarHBondContact N-O 2.84Å; G2976-S2998 VanDerWaalsContact N-O 3.11Å |
| 2977 | D | 90.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 139 | 179.1 | -62.7 | -29.8 | 0 | 0 | 0 | 111.7 | H2953 G2973 H2975 T2991 V2992 K2993 | H2953-D2977 IonicContact CE1-OD2 3.57Å; G2973-D2977 PolarHBondContact N-O 2.86Å; H2975-D2977 VanDerWaalsContact C-N 3.33Å; D2977-T2991 HydrophobicContact CB-CG2 3.77Å; D2977-V2992 CarbonylContact C-O 3.51Å; D2977-K2993 WeakPolarHBondContact OD1-CG 3.26Å |
| 2978 | V | 91.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 112 | 171.5 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | G2971 T2991 V2992 A2994 V3000 M3003 L3012 V3014 | G2971-V2978 CarbonylContact O-C 3.54Å; G2971-V2978 WeakPolarHBondContact O-CA 3.25Å; V2978-T2991 CarbonylContact O-C 3.57Å; V2978-T2991 WeakPolarHBondContact O-CA 3.43Å; V2978-V2992 PolarHBondContact N-O 3.44Å; V2978-V2992 PolarHBondContact O-N 2.92Å; V2978-A2994 HydrophobicContact CG2-CB 3.96Å; V2978-V3000 HydrophobicContact CG2-CG2 4.14Å; V2978-M3003 HydrophobicContact CG1-CE 3.86Å; V2978-M3003 HydrophobicContact CG2-CE 4.01Å; V2978-L3012 HydrophobicContact CG1-CD2 4.4Å; V2978-V3014 HydrophobicContact CG2-CG1 4.05Å; V2978-V3014 HydrophobicContact CG2-CG2 4.34Å |
| 2979 | S | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.2 | 177.4 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | H2953 L2970 G2971 W2981 T2991 | H2953-S2979 PolarHBondContact NE2-OG 3.01Å; L2970-S2979 CarbonylContact C-O 3.6Å; L2970-S2979 WeakPolarHBondContact CA-O 3.37Å; G2971-S2979 PolarHBondContact N-O 3.39Å; G2971-S2979 PolarHBondContact O-N 2.96Å; S2979-W2981 VanDerWaalsContact CB-CH2 3.47Å; S2979-T2991 PolarHBondContact OG-OG1 3.02Å |
| 2980 | I | 91.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.4 | -178 | -48.6 | -168.6 | 0 | 0 | 0 | 108.3 | I2968 L2969 L2970 R2989 M2990 V2992 P3030 | I2968-I2980 HydrophobicContact CB-CG2 4.15Å; I2968-I2980 HydrophobicContact CD1-CG2 4.13Å; I2968-I2980 HydrophobicContact CG2-CG2 4.34Å; L2969-I2980 CarbonylContact O-C 3.58Å; L2969-I2980 WeakPolarHBondContact O-CA 3.23Å; L2970-I2980 HydrophobicContact CD2-CB 3.97Å; L2970-I2980 HydrophobicContact CD2-CD1 3.86Å; L2970-I2980 HydrophobicContact CD2-CG1 3.51Å; L2970-I2980 HydrophobicContact CD2-CG2 3.77Å; I2980-R2989 WeakPolarHBondContact O-CA 3.45Å; I2980-R2989 WeakPolarHBondContact O-CB 3.42Å; I2980-R2989 PolarHBondContact O-N 2.67Å; I2980-M2990 HydrophobicContact CB-CG 4.03Å; I2980-M2990 HydrophobicContact CD1-CG 3.85Å; I2980-M2990 HydrophobicContact CD1-SD 4.21Å; I2980-M2990 HydrophobicContact CG1-CG 4.05Å; I2980-M2990 PolarHBondContact N-O 2.82Å; I2980-M2990 PolarHBondContact O-N 3.43Å; I2980-V2992 HydrophobicContact CD1-CG2 4.28Å; I2980-P3030 HydrophobicContact CD1-CG 4.14Å |
| 2981 | W | 90.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.7 | 178.1 | -56.2 | -85.3 | 0 | 0 | 0 | 111.2 | V2933 W2950 C2952 I2957 L2960 I2968 L2969 G2971 S2979 Q2987 L2988 | V2933-W2981 HydrophobicContact CG2-CH2 3.81Å; V2933-W2981 HydrophobicContact CG2-CZ2 4.13Å; V2933-W2981 HydrophobicContact CG2-CZ3 4.14Å; W2950-W2981 AromaticContact CD1-CD1 3.68Å; W2950-W2981 HydrophobicContact CD2-CG 4.41Å; W2950-W2981 AromaticContact CG-CD1 3.78Å; W2950-W2981 HydrophobicContact CG-CG 4.37Å; W2950-W2981 AromaticContact CG-NE1 3.98Å; C2952-W2981 HydrophobicContact CB-CZ2 3.93Å; C2952-W2981 VanDerWaalsContact SG-CZ2 3.55Å; I2957-W2981 HydrophobicContact CD1-CH2 3.75Å; I2957-W2981 HydrophobicContact CD1-CZ2 4.22Å; L2960-W2981 HydrophobicContact CD2-CZ3 4.2Å; I2968-W2981 CarbonylContact C-O 3.51Å; I2968-W2981 WeakPolarHBondContact CA-O 3.37Å; L2969-W2981 HydrophobicContact CB-CB 4.35Å; L2969-W2981 HydrophobicContact CB-CE3 4.09Å; L2969-W2981 HydrophobicContact CD2-CE3 4.04Å; L2969-W2981 HydrophobicContact CG-CE3 3.98Å; L2969-W2981 HydrophobicContact CG-CZ3 4.45Å; L2969-W2981 PolarHBondContact N-O 3.48Å; L2969-W2981 VanDerWaalsContact O-CE3 3.25Å; L2969-W2981 PolarHBondContact O-N 2.9Å; G2971-W2981 VanDerWaalsContact N-CZ3 3.26Å; S2979-W2981 VanDerWaalsContact CB-CH2 3.47Å; W2981-Q2987 WeakPolarHBondContact CA-O 3.19Å; W2981-L2988 HydrophobicContact CD2-CD1 4.46Å; W2981-L2988 HydrophobicContact CG-CD1 4.32Å; W2981-L2988 HydrophobicContact CZ2-CD1 4.46Å |
| 2982 | D | 90.3 | Very high | 89.1 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 118.3 | 165.9 | -174.5 | -37.7 | 0 | 0 | 0 | 108.5 | R2984 Q2985 R2986 Q2987 | D2982-R2984 VanDerWaalsContact C-N 3.34Å; D2982-R2984 WeakPolarHBondContact OD1-CA 3.18Å; D2982-R2984 WeakPolarHBondContact OD1-CB 3.35Å; D2982-R2984 PolarHBondContact OD1-N 3.29Å; D2982-Q2985 HydrophobicContact CB-CB 4.17Å; D2982-Q2985 HydrophobicContact CB-CG 4.5Å; D2982-Q2985 PolarHBondContact OD1-N 3.33Å; D2982-Q2985 VanDerWaalsContact OD1-N 3.13Å; D2982-R2986 WeakPolarHBondContact O-CA 3.49Å; D2982-R2986 PolarHBondContact O-N 2.85Å; D2982-Q2987 PolarHBondContact N-O 2.71Å; D2982-Q2987 PolarHBondContact O-N 3.26Å |
| 2983 | V | 89.4 | Confident | 89.1 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -31.8 | -176.5 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | L2914 Y2962 Q2967 L2969 | L2914-V2983 HydrophobicContact CD1-CG1 4.33Å; Y2962-V2983 HydrophobicContact CD2-CG2 4.38Å; Y2962-V2983 HydrophobicContact CE2-CG2 3.92Å; Q2967-V2983 WeakPolarHBondContact O-CB 3.48Å; Q2967-V2983 WeakPolarHBondContact O-CG2 3.48Å; Q2967-V2983 PolarHBondContact O-N 2.86Å; L2969-V2983 HydrophobicContact CB-CG2 3.97Å |
| 2984 | R | 88.8 | Confident | 89.1 | Confident | 167 Ų | 167 | 60.4 Ų | 60.4 | 63% | 0.63 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -49 | 178.1 | -65 | -177.3 | -72.4 | -167.9 | 3.5 | 111.2 | Q2967 D2982 R2986 | Q2967-R2984 HydrophobicContact CB-CG 4.47Å; D2982-R2984 VanDerWaalsContact C-N 3.34Å; D2982-R2984 WeakPolarHBondContact OD1-CA 3.18Å; D2982-R2984 WeakPolarHBondContact OD1-CB 3.35Å; D2982-R2984 PolarHBondContact OD1-N 3.29Å; R2984-R2986 VanDerWaalsContact C-N 3.26Å; R2984-R2986 PolarHBondContact O-N 3.44Å |
| 2985 | Q | 88.1 | Confident | 89.3 | Confident | 124 Ų | 124 | 56.1 Ų | 56.1 | 58% | 0.579 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.3 | -177.8 | -61.6 | -175.1 | -5.3 | 0 | 0 | 112.2 | D2982 Q2987 | D2982-Q2985 HydrophobicContact CB-CB 4.17Å; D2982-Q2985 HydrophobicContact CB-CG 4.5Å; D2982-Q2985 PolarHBondContact OD1-N 3.33Å; D2982-Q2985 VanDerWaalsContact OD1-N 3.13Å; Q2985-Q2987 HydrophobicContact CB-CB 4.47Å; Q2985-Q2987 WeakPolarHBondContact O-CG 3.47Å; Q2985-Q2987 PolarHBondContact O-N 3.34Å |
| 2986 | R | 87.5 | Confident | 89.1 | Confident | 116 Ų | 116 | 58.2 Ų | 58.2 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 34 | -175.8 | -54.6 | 179.3 | -176.2 | -174.7 | -0.6 | 112.4 | H2948 W2950 D2982 R2984 | H2948-R2986 PolarHBondContact NE2-O 3.45Å; W2950-R2986 VanDerWaalsContact NE1-C 3.34Å; W2950-R2986 PolarHBondContact NE1-O 3.07Å; W2950-R2986 VanDerWaalsContact NE1-O 3.07Å; D2982-R2986 WeakPolarHBondContact O-CA 3.49Å; D2982-R2986 PolarHBondContact O-N 2.85Å; R2984-R2986 VanDerWaalsContact C-N 3.26Å; R2984-R2986 PolarHBondContact O-N 3.44Å |
| 2987 | Q | 88.8 | Confident | 88.7 | Confident | 125 Ų | 125 | 63.5 Ų | 63.5 | 58% | 0.584 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.6 | -176.8 | -72.7 | 179.4 | 6.8 | 0 | 0 | 111.3 | W2981 D2982 Q2985 R2989 | W2981-Q2987 WeakPolarHBondContact CA-O 3.19Å; D2982-Q2987 PolarHBondContact N-O 2.71Å; D2982-Q2987 PolarHBondContact O-N 3.26Å; Q2985-Q2987 HydrophobicContact CB-CB 4.47Å; Q2985-Q2987 WeakPolarHBondContact O-CG 3.47Å; Q2985-Q2987 PolarHBondContact O-N 3.34Å; Q2987-R2989 PolarHBondContact O-N 2.88Å |
| 2988 | L | 87.9 | Confident | 88.6 | Confident | 79 Ų | 79 | 62 Ų | 62 | 41% | 0.414 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 116.7 | 168.3 | 178.6 | 72.9 | 0 | 0 | 0 | 108.4 | W2981 | W2981-L2988 HydrophobicContact CD2-CD1 4.46Å; W2981-L2988 HydrophobicContact CG-CD1 4.32Å; W2981-L2988 HydrophobicContact CZ2-CD1 4.46Å |
| 2989 | R | 87.6 | Confident | 88.4 | Confident | 117 Ų | 117 | 62.7 Ų | 62.7 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -47.5 | 179.2 | -177.2 | 176.4 | 175.8 | 173.5 | -0.6 | 111.2 | I2980 Q2987 | I2980-R2989 WeakPolarHBondContact O-CA 3.45Å; I2980-R2989 WeakPolarHBondContact O-CB 3.42Å; I2980-R2989 PolarHBondContact O-N 2.67Å; Q2987-R2989 PolarHBondContact O-N 2.88Å |
| 2990 | M | 89.8 | Confident | 88.5 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 163.5 | 178.2 | 61.4 | -167.8 | -57.1 | 0 | 0 | 111.9 | I2980 V2992 V3029 P3030 | I2980-M2990 HydrophobicContact CB-CG 4.03Å; I2980-M2990 HydrophobicContact CD1-CG 3.85Å; I2980-M2990 HydrophobicContact CD1-SD 4.21Å; I2980-M2990 HydrophobicContact CG1-CG 4.05Å; I2980-M2990 PolarHBondContact N-O 2.82Å; I2980-M2990 PolarHBondContact O-N 3.43Å; M2990-V2992 HydrophobicContact CE-CG2 4.14Å; M2990-V3029 HydrophobicContact CE-CG1 4.5Å; M2990-P3030 HydrophobicContact CE-CG 4.11Å; M2990-P3030 VanDerWaalsContact SD-CD 3.58Å; M2990-P3030 HydrophobicContact SD-CG 4.35Å |
| 2991 | T | 89.5 | Confident | 88.4 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.1 | 171.1 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | D2977 V2978 S2979 | D2977-T2991 HydrophobicContact CB-CG2 3.77Å; V2978-T2991 CarbonylContact O-C 3.57Å; V2978-T2991 WeakPolarHBondContact O-CA 3.43Å; S2979-T2991 PolarHBondContact OG-OG1 3.02Å |
| 2992 | V | 90 | Very high | 88.5 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.9 | -177.1 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | D2977 V2978 I2980 M2990 A2994 F3024 P3030 | D2977-V2992 CarbonylContact C-O 3.51Å; V2978-V2992 PolarHBondContact N-O 3.44Å; V2978-V2992 PolarHBondContact O-N 2.92Å; I2980-V2992 HydrophobicContact CD1-CG2 4.28Å; M2990-V2992 HydrophobicContact CE-CG2 4.14Å; V2992-A2994 PolarHBondContact O-N 3.04Å; V2992-A2994 VanDerWaalsContact O-N 3.15Å; V2992-F3024 HydrophobicContact CG1-CE1 4.35Å; V2992-P3030 HydrophobicContact CB-CG 4.48Å; V2992-P3030 HydrophobicContact CG1-CG 4.45Å; V2992-P3030 HydrophobicContact CG2-CG 3.32Å |
| 2993 | K | 89.8 | Confident | 88.7 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 98.2 | 175.5 | -169.2 | 164.3 | -174.1 | -171.8 | 0 | 109.8 | D2977 F2995 D2996 | D2977-K2993 WeakPolarHBondContact OD1-CG 3.26Å; K2993-F2995 WeakPolarHBondContact CE-O 3.36Å; K2993-D2996 IonicContact NZ-OD1 3.91Å |
| 2994 | A | 88.4 | Confident | 88.9 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | trans | -81 | -38.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G2976 V2978 V2992 V3014 K3022 F3024 | G2976-A2994 WeakPolarHBondContact O-CA 3.46Å; G2976-A2994 WeakPolarHBondContact O-CB 3.5Å; G2976-A2994 PolarHBondContact O-N 3.15Å; V2978-A2994 HydrophobicContact CG2-CB 3.96Å; V2992-A2994 PolarHBondContact O-N 3.04Å; V2992-A2994 VanDerWaalsContact O-N 3.15Å; A2994-V3014 HydrophobicContact CB-CG1 4.4Å; A2994-K3022 VanDerWaalsContact O-CD 3.26Å; A2994-K3022 WeakPolarHBondContact O-CD 3.31Å; A2994-K3022 WeakPolarHBondContact O-CE 3.46Å; A2994-K3022 PolarHBondContact O-NZ 3.3Å; A2994-F3024 HydrophobicContact CB-CE2 4.11Å; A2994-F3024 HydrophobicContact CB-CZ 4.01Å | ||
| 2995 | F | 89.6 | Confident | 89 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | trans | -130.3 | 153.2 | 178 | -54.9 | -72.1 | 0 | 0 | 0 | 111.1 | G2976 K2993 V3000 V3014 D3020 K3022 | G2976-F2995 PolarHBondContact O-N 3.13Å; K2993-F2995 WeakPolarHBondContact CE-O 3.36Å; F2995-V3000 HydrophobicContact CD2-CG2 4.09Å; F2995-V3000 HydrophobicContact CE2-CG2 4.38Å; F2995-V3014 HydrophobicContact CE2-CB 4.4Å; F2995-V3014 HydrophobicContact CE2-CG1 3.75Å; F2995-V3014 HydrophobicContact CZ-CG1 4.42Å; F2995-D3020 HydrophobicContact CD1-CB 4.33Å; F2995-D3020 HydrophobicContact CE1-CB 3.69Å; F2995-D3020 HydrophobicContact CZ-CB 4.46Å; F2995-K3022 HydrophobicContact CD1-CD 4.18Å; F2995-K3022 HydrophobicContact CE1-CD 3.74Å; F2995-K3022 HydrophobicContact CE1-CG 3.9Å; F2995-K3022 HydrophobicContact CZ-CB 4.45Å; F2995-K3022 HydrophobicContact CZ-CD 4.37Å; F2995-K3022 HydrophobicContact CZ-CG 4.32Å | ||
| 2996 | D | 82.1 | Confident | 89 | Confident | 133 Ų | 133 | 53.3 Ų | 53.3 | 71% | 0.711 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -80.5 | -41.9 | -172.6 | -74.5 | -44.9 | 0 | 0 | 0 | 114.2 | K2993 | K2993-D2996 IonicContact NZ-OD1 3.91Š|
| 2997 | S | 80.5 | Confident | 88.9 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 78% | 0.783 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -139.6 | 0.4 | -174.6 | -172.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 2998 | S | 87.2 | Confident | 88.6 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -103.7 | 139.9 | -176 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | G2976 A3017 D3018 | G2976-S2998 WeakPolarHBondContact CA-O 3.47Å; G2976-S2998 PolarHBondContact N-O 2.84Å; G2976-S2998 VanDerWaalsContact N-O 3.11Å; S2998-A3017 PolarHBondContact OG-N 2.84Å; S2998-D3018 WeakPolarHBondContact CB-OD1 3.49Å; S2998-D3018 VanDerWaalsContact CB-OD2 3.3Å; S2998-D3018 WeakPolarHBondContact CB-OD2 3.08Å; S2998-D3018 PolarHBondContact OG-N 2.73Å; S2998-D3018 VanDerWaalsContact OG-N 3.08Å; S2998-D3018 PolarHBondContact OG-OD1 2.89Å; S2998-D3018 PolarHBondContact OG-OD2 3.03Å |
| 2999 | A | 89.1 | Confident | 88.5 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 138.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K2974 R3001 S3016 A3017 | K2974-A2999 HydrophobicContact CG-CB 4.28Å; K2974-A2999 WeakPolarHBondContact O-CA 3.37Å; K2974-A2999 WeakPolarHBondContact O-CB 3.33Å; K2974-A2999 PolarHBondContact O-N 2.79Å; A2999-R3001 PolarHBondContact O-N 3.16Å; A2999-S3016 CarbonylContact O-C 3.55Å; A2999-S3016 WeakPolarHBondContact O-CA 3.31Å; A2999-A3017 HydrophobicContact CB-CB 4.27Å; A2999-A3017 PolarHBondContact O-N 3.16Å |
| 3000 | V | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 117.9 | 167.5 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | N2958 G2973 V2978 F2995 M3003 V3014 | N2958-V3000 VanDerWaalsContact CB-O 3.25Å; N2958-V3000 WeakPolarHBondContact CB-O 3.31Å; N2958-V3000 PolarHBondContact ND2-O 3.41Å; N2958-V3000 VanDerWaalsContact ND2-O 3.15Å; G2973-V3000 PolarHBondContact O-N 2.84Å; V2978-V3000 HydrophobicContact CG2-CG2 4.14Å; F2995-V3000 HydrophobicContact CD2-CG2 4.09Å; F2995-V3000 HydrophobicContact CE2-CG2 4.38Å; V3000-M3003 HydrophobicContact CG1-CE 4.16Å; V3000-V3014 HydrophobicContact CB-CG1 4.35Å; V3000-V3014 HydrophobicContact CG1-CG1 3.37Å; V3000-V3014 HydrophobicContact CG2-CG1 4.06Å |
| 3001 | R | 90.3 | Very high | 88.5 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -37.1 | -173.8 | -177.4 | 58.9 | -177.4 | 144.2 | 1.2 | 112.8 | A2999 G3015 V3059 Q3060 | A2999-R3001 PolarHBondContact O-N 3.16Å; R3001-G3015 PolarHBondContact N-O 2.85Å; R3001-V3059 WeakPolarHBondContact CB-O 3.02Å; R3001-V3059 WeakPolarHBondContact CG-O 3.48Å; R3001-Q3060 VanDerWaalsContact NH2-OE1 3.15Å |
| 3002 | S | 91.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.8 | -178 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | G3015 V3059 | S3002-G3015 PolarHBondContact N-O 2.85Å; S3002-G3015 PolarHBondContact O-N 3.15Å; S3002-V3059 PolarHBondContact OG-O 2.71Å |
| 3003 | M | 94.3 | Very high | 88.8 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 138.6 | -178.1 | -170.1 | 179.6 | -61.2 | 0 | 0 | 108.9 | C2959 A2961 L2970 V2978 V3000 L3012 A3013 | C2959-M3003 HydrophobicContact CB-CB 4.4Å; A2961-M3003 HydrophobicContact CB-CG 4.26Å; A2961-M3003 HydrophobicContact CB-SD 3.99Å; L2970-M3003 HydrophobicContact CB-SD 3.69Å; L2970-M3003 HydrophobicContact CD1-SD 4.47Å; V2978-M3003 HydrophobicContact CG1-CE 3.86Å; V2978-M3003 HydrophobicContact CG2-CE 4.01Å; V3000-M3003 HydrophobicContact CG1-CE 4.16Å; M3003-L3012 HydrophobicContact CG-CD1 3.46Å; M3003-L3012 VanDerWaalsContact CG-CD1 3.46Å; M3003-L3012 HydrophobicContact SD-CD1 3.8Å; M3003-A3013 WeakPolarHBondContact CA-O 3.49Å |
| 3004 | A | 93.4 | Very high | 89.1 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 143.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A3013 I3062 | A3004-A3013 PolarHBondContact N-O 3.38Å; A3004-A3013 PolarHBondContact O-N 2.91Å; A3004-I3062 HydrophobicContact CB-CB 4.17Å; A3004-I3062 HydrophobicContact CB-CG2 3.86Å; A3004-I3062 WeakPolarHBondContact CB-O 3.36Å |
| 3005 | V | 91.2 | Very high | 89.3 | Confident | 27 Ų | 27 | 35.3 Ų | 35.3 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.4 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | A2961 L2970 F3009 Y3011 L3012 L3026 | A2961-V3005 HydrophobicContact CB-CG2 3.77Å; L2970-V3005 HydrophobicContact CD1-CG2 4Å; V3005-F3009 HydrophobicContact CG1-CB 4.42Å; V3005-F3009 HydrophobicContact CG1-CD1 3.74Å; V3005-Y3011 WeakPolarHBondContact CA-O 3.47Å; V3005-L3012 HydrophobicContact CG2-CD1 3.87Å; V3005-L3026 HydrophobicContact CG1-CD1 3.86Å; V3005-L3026 HydrophobicContact CG2-CD1 4.45Å |
| 3006 | D | 88.2 | Confident | 89.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -59.8 | 143 | 173.7 | 167.1 | 40.1 | 0 | 0 | 0 | 111.7 | M3008 F3009 Y3011 I3064 L3068 | D3006-M3008 PolarHBondContact O-N 3.26Å; D3006-M3008 VanDerWaalsContact O-N 3.1Å; D3006-M3008 WeakPolarHBondContact OD2-CB 3.25Å; D3006-F3009 WeakPolarHBondContact O-CA 3.25Å; D3006-F3009 PolarHBondContact O-N 2.8Å; D3006-Y3011 HydrophobicContact CB-CD2 4.34Å; D3006-Y3011 PolarHBondContact N-O 3.14Å; D3006-I3064 HydrophobicContact CB-CD1 4.44Å; D3006-I3064 HydrophobicContact CB-CG2 4.04Å; D3006-L3068 WeakPolarHBondContact OD1-CD2 3.46Å | ||
| 3007 | P | 84.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 30 Ų | 30 | 33% | 0.331 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -26.9 | 174.7 | -32.5 | 36.8 | 0 | 0 | 0 | 116 | F3009 I3064 | P3007-F3009 VanDerWaalsContact C-N 3.28Å; P3007-F3009 WeakPolarHBondContact O-CD2 3.11Å; P3007-F3009 VanDerWaalsContact O-CE2 3.24Å; P3007-F3009 WeakPolarHBondContact O-CE2 3.34Å; P3007-I3064 WeakPolarHBondContact CD-O 3.39Å |
| 3008 | M | 83.9 | Confident | 90.1 | Very high | 116 Ų | 116 | 29.2 Ų | 29.2 | 57% | 0.571 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.6 | 173.9 | -59.3 | -62.9 | 141.6 | 0 | 0 | 113.4 | D3006 I3010 | D3006-M3008 PolarHBondContact O-N 3.26Å; D3006-M3008 VanDerWaalsContact O-N 3.1Å; D3006-M3008 WeakPolarHBondContact OD2-CB 3.25Å; M3008-I3010 VanDerWaalsContact C-N 3.27Å; M3008-I3010 HydrophobicContact CB-CD1 4.06Å; M3008-I3010 HydrophobicContact CB-CG1 4.15Å; M3008-I3010 PolarHBondContact O-N 3Å |
| 3009 | F | 85.3 | Confident | 90.1 | Very high | 50 Ų | 50 | 29 Ų | 29 | 22% | 0.219 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 61.3 | 30.2 | -178.8 | -50.4 | -72.2 | 0 | 0 | 0 | 114.4 | C2963 P2964 N2965 V3005 D3006 P3007 | C2963-F3009 HydrophobicContact CB-CB 4.43Å; C2963-F3009 HydrophobicContact CB-CD1 4.24Å; P2964-F3009 HydrophobicContact CG-CD1 4.36Å; P2964-F3009 HydrophobicContact CG-CD2 4.08Å; P2964-F3009 HydrophobicContact CG-CE1 3.8Å; P2964-F3009 HydrophobicContact CG-CE2 3.45Å; P2964-F3009 VanDerWaalsContact CG-CE2 3.45Å; P2964-F3009 HydrophobicContact CG-CG 4.48Å; P2964-F3009 HydrophobicContact CG-CZ 3.3Å; N2965-F3009 HydrophobicContact CB-CD2 4.36Å; V3005-F3009 HydrophobicContact CG1-CB 4.42Å; V3005-F3009 HydrophobicContact CG1-CD1 3.74Å; D3006-F3009 WeakPolarHBondContact O-CA 3.25Å; D3006-F3009 PolarHBondContact O-N 2.8Å; P3007-F3009 VanDerWaalsContact C-N 3.28Å; P3007-F3009 WeakPolarHBondContact O-CD2 3.11Å; P3007-F3009 VanDerWaalsContact O-CE2 3.24Å; P3007-F3009 WeakPolarHBondContact O-CE2 3.34Å |
| 3010 | I | 87.9 | Confident | 90.3 | Very high | 81 Ų | 81 | 29.9 Ų | 29.9 | 42% | 0.415 | 16% | 0.156 | S | C | . | . | trans | -98.6 | -43.4 | 179.3 | -59.3 | 174.2 | 0 | 0 | 0 | 111 | M3008 V3025 L3026 | M3008-I3010 VanDerWaalsContact C-N 3.27Å; M3008-I3010 HydrophobicContact CB-CD1 4.06Å; M3008-I3010 HydrophobicContact CB-CG1 4.15Å; M3008-I3010 PolarHBondContact O-N 3Å; I3010-V3025 HydrophobicContact CG2-CG1 4.3Å; I3010-V3025 CarbonylContact O-C 3.56Å; I3010-L3026 WeakPolarHBondContact O-CB 3.32Å; I3010-L3026 PolarHBondContact O-N 2.86Å | ||
| 3011 | Y | 89.6 | Confident | 90.3 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 10% | 0.102 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.8 | -175.9 | -55.6 | -75.8 | 0 | 0 | 0 | 112.5 | V3005 D3006 I3023 F3024 V3025 I3033 L3068 | V3005-Y3011 WeakPolarHBondContact CA-O 3.47Å; D3006-Y3011 HydrophobicContact CB-CD2 4.34Å; D3006-Y3011 PolarHBondContact N-O 3.14Å; Y3011-I3023 HydrophobicContact CD1-CG2 4.47Å; Y3011-F3024 CarbonylContact C-O 3.49Å; Y3011-F3024 WeakPolarHBondContact CA-O 3.23Å; Y3011-V3025 HydrophobicContact CD1-CG2 4.37Å; Y3011-V3025 HydrophobicContact CE1-CG2 4.23Å; Y3011-I3033 HydrophobicContact CD1-CD1 3.86Å; Y3011-I3033 HydrophobicContact CE1-CD1 3.48Å; Y3011-I3033 VanDerWaalsContact CE1-CD1 3.48Å; Y3011-L3068 HydrophobicContact CD2-CD2 3.65Å; Y3011-L3068 HydrophobicContact CE2-CD1 4.13Å; Y3011-L3068 HydrophobicContact CE2-CD2 3.8Å |
| 3012 | L | 92.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.6 | 174.7 | 172.3 | 67.8 | 0 | 0 | 0 | 109.3 | L2970 V2978 M3003 V3005 V3014 I3023 F3024 L3026 | L2970-L3012 HydrophobicContact CD1-CD1 3.66Å; L2970-L3012 HydrophobicContact CD1-CD2 4.06Å; L2970-L3012 HydrophobicContact CD1-CG 4.4Å; V2978-L3012 HydrophobicContact CG1-CD2 4.4Å; M3003-L3012 HydrophobicContact CG-CD1 3.46Å; M3003-L3012 VanDerWaalsContact CG-CD1 3.46Å; M3003-L3012 HydrophobicContact SD-CD1 3.8Å; V3005-L3012 HydrophobicContact CG2-CD1 3.87Å; L3012-V3014 HydrophobicContact CD1-CG2 4.4Å; L3012-V3014 HydrophobicContact CD2-CG2 3.97Å; L3012-V3014 HydrophobicContact CG-CG2 3.82Å; L3012-I3023 CarbonylContact O-C 3.58Å; L3012-I3023 VanDerWaalsContact O-CA 3.31Å; L3012-I3023 WeakPolarHBondContact O-CA 3.35Å; L3012-F3024 HydrophobicContact CB-CB 4.36Å; L3012-F3024 PolarHBondContact N-O 3.33Å; L3012-F3024 PolarHBondContact O-N 2.79Å; L3012-L3026 HydrophobicContact CB-CD1 4Å; L3012-L3026 HydrophobicContact CB-CD2 3.94Å; L3012-L3026 HydrophobicContact CB-CG 3.79Å; L3012-L3026 HydrophobicContact CD2-CD2 4.07Å |
| 3013 | A | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | M3003 A3004 I3023 I3062 I3064 L3070 | M3003-A3013 WeakPolarHBondContact CA-O 3.49Å; A3004-A3013 PolarHBondContact N-O 3.38Å; A3004-A3013 PolarHBondContact O-N 2.91Å; A3013-I3023 HydrophobicContact CB-CG1 4.21Å; A3013-I3062 HydrophobicContact CB-CG2 3.81Å; A3013-I3064 HydrophobicContact CB-CD1 3.82Å; A3013-I3064 HydrophobicContact CB-CG1 4.45Å; A3013-L3070 HydrophobicContact CB-CD1 3.89Å |
| 3014 | V | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.9 | -177.3 | -167.7 | 0 | 0 | 0 | 0 | 109 | V2978 A2994 F2995 V3000 L3012 I3021 K3022 F3024 | V2978-V3014 HydrophobicContact CG2-CG1 4.05Å; V2978-V3014 HydrophobicContact CG2-CG2 4.34Å; A2994-V3014 HydrophobicContact CB-CG1 4.4Å; F2995-V3014 HydrophobicContact CE2-CB 4.4Å; F2995-V3014 HydrophobicContact CE2-CG1 3.75Å; F2995-V3014 HydrophobicContact CZ-CG1 4.42Å; V3000-V3014 HydrophobicContact CB-CG1 4.35Å; V3000-V3014 HydrophobicContact CG1-CG1 3.37Å; V3000-V3014 HydrophobicContact CG2-CG1 4.06Å; L3012-V3014 HydrophobicContact CD1-CG2 4.4Å; L3012-V3014 HydrophobicContact CD2-CG2 3.97Å; L3012-V3014 HydrophobicContact CG-CG2 3.82Å; V3014-I3021 WeakPolarHBondContact O-CA 3.45Å; V3014-K3022 PolarHBondContact N-O 2.77Å; V3014-K3022 PolarHBondContact O-N 3.22Å; V3014-F3024 HydrophobicContact CB-CE2 4.45Å; V3014-F3024 HydrophobicContact CG2-CD2 3.98Å; V3014-F3024 HydrophobicContact CG2-CE2 4Å |
| 3015 | G | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | R3001 S3002 D3020 | R3001-G3015 PolarHBondContact N-O 2.85Å; S3002-G3015 PolarHBondContact N-O 2.85Å; S3002-G3015 PolarHBondContact O-N 3.15Å; G3015-D3020 CarbonylContact C-O 3.58Å; G3015-D3020 WeakPolarHBondContact CA-O 2.91Å |
| 3016 | S | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 161 | 179.3 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | A2999 D3018 G3019 D3020 V3059 | A2999-S3016 CarbonylContact O-C 3.55Å; A2999-S3016 WeakPolarHBondContact O-CA 3.31Å; S3016-D3018 PolarHBondContact O-N 2.83Å; S3016-D3018 PolarHBondContact OG-N 2.75Å; S3016-D3018 VanDerWaalsContact OG-N 3.16Å; S3016-G3019 PolarHBondContact O-N 3.34Å; S3016-G3019 PolarHBondContact OG-N 3.45Å; S3016-G3019 VanDerWaalsContact OG-N 3.16Å; S3016-D3020 PolarHBondContact N-O 3.14Å; S3016-D3020 WeakPolarHBondContact OG-CB 3.44Å; S3016-D3020 PolarHBondContact OG-N 2.58Å; S3016-V3059 PolarHBondContact O-N 3.45Å |
| 3017 | A | 89.3 | Confident | 89.4 | Confident | 28 Ų | 28 | 29.3 Ų | 29.3 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | S2998 A2999 Q3057 G3058 | S2998-A3017 PolarHBondContact OG-N 2.84Å; A2999-A3017 HydrophobicContact CB-CB 4.27Å; A2999-A3017 PolarHBondContact O-N 3.16Å; A3017-Q3057 CarbonylContact O-C 3.55Å; A3017-G3058 WeakPolarHBondContact O-CA 3.41Å; A3017-G3058 PolarHBondContact O-N 3.07Å; A3017-G3058 VanDerWaalsContact O-N 3.14Å |
| 3018 | D | 87.2 | Confident | 89.1 | Confident | 95 Ų | 95 | 31 Ų | 31 | 51% | 0.508 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.3 | 178 | -62.4 | 5.8 | 0 | 0 | 0 | 111.9 | S2998 S3016 | S2998-D3018 WeakPolarHBondContact CB-OD1 3.49Å; S2998-D3018 VanDerWaalsContact CB-OD2 3.3Å; S2998-D3018 WeakPolarHBondContact CB-OD2 3.08Å; S2998-D3018 PolarHBondContact OG-N 2.73Å; S2998-D3018 VanDerWaalsContact OG-N 3.08Å; S2998-D3018 PolarHBondContact OG-OD1 2.89Å; S2998-D3018 PolarHBondContact OG-OD2 3.03Å; S3016-D3018 PolarHBondContact O-N 2.83Å; S3016-D3018 PolarHBondContact OG-N 2.75Å; S3016-D3018 VanDerWaalsContact OG-N 3.16Å |
| 3019 | G | 88 | Confident | 89 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 104.2 | 7.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | S3016 E3039 H3040 | S3016-G3019 PolarHBondContact O-N 3.34Å; S3016-G3019 PolarHBondContact OG-N 3.45Å; S3016-G3019 VanDerWaalsContact OG-N 3.16Å; G3019-E3039 PolarHBondContact O-N 2.81Å; G3019-H3040 PolarHBondContact O-N 2.76Å |
| 3020 | D | 92.1 | Very high | 88.9 | Confident | 36 Ų | 36 | 28.1 Ų | 28.1 | 19% | 0.193 | 17% | 0.165 | C | C | . | . | trans | -83.6 | 146 | 177.5 | -60.4 | -23.5 | 0 | 0 | 0 | 111.1 | F2995 G3015 S3016 F3036 P3037 S3038 | F2995-D3020 HydrophobicContact CD1-CB 4.33Å; F2995-D3020 HydrophobicContact CE1-CB 3.69Å; F2995-D3020 HydrophobicContact CZ-CB 4.46Å; G3015-D3020 CarbonylContact C-O 3.58Å; G3015-D3020 WeakPolarHBondContact CA-O 2.91Å; S3016-D3020 PolarHBondContact N-O 3.14Å; S3016-D3020 WeakPolarHBondContact OG-CB 3.44Å; S3016-D3020 PolarHBondContact OG-N 2.58Å; D3020-F3036 WeakPolarHBondContact CA-O 3.5Å; D3020-P3037 WeakPolarHBondContact OD1-CA 3.48Å; D3020-S3038 PolarHBondContact OD1-N 3.12Å | ||
| 3021 | I | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.2 | 171.1 | -57.5 | -174.6 | 0 | 0 | 0 | 109.2 | V3014 F3036 E3039 V3059 I3062 L3070 S3072 | V3014-I3021 WeakPolarHBondContact O-CA 3.45Å; I3021-F3036 HydrophobicContact CB-CB 4.34Å; I3021-F3036 HydrophobicContact CB-CD2 4.23Å; I3021-F3036 HydrophobicContact CG2-CD2 4.25Å; I3021-F3036 PolarHBondContact N-O 3.49Å; I3021-F3036 PolarHBondContact O-N 2.99Å; I3021-E3039 VanDerWaalsContact CD1-OE2 3.3Å; I3021-E3039 WeakPolarHBondContact CD1-OE2 3.36Å; I3021-V3059 HydrophobicContact CD1-CG1 4.06Å; I3021-V3059 HydrophobicContact CD1-CG2 4.25Å; I3021-V3059 HydrophobicContact CG1-CG1 4.34Å; I3021-V3059 HydrophobicContact CG1-CG2 3.8Å; I3021-I3062 HydrophobicContact CD1-CD1 4.2Å; I3021-I3062 HydrophobicContact CD1-CG1 4.38Å; I3021-I3062 HydrophobicContact CG1-CD1 4.31Å; I3021-I3062 HydrophobicContact CG2-CD1 4.21Å; I3021-L3070 HydrophobicContact CG2-CD2 4.34Å; I3021-S3072 VanDerWaalsContact CD1-CB 3.42Å |
| 3022 | K | 93.4 | Very high | 88.7 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.4 | 173.4 | -71 | 179.9 | -179.2 | -177.7 | 0 | 109.9 | A2994 F2995 V3014 F3024 M3032 Y3034 H3035 | A2994-K3022 VanDerWaalsContact O-CD 3.26Å; A2994-K3022 WeakPolarHBondContact O-CD 3.31Å; A2994-K3022 WeakPolarHBondContact O-CE 3.46Å; A2994-K3022 PolarHBondContact O-NZ 3.3Å; F2995-K3022 HydrophobicContact CD1-CD 4.18Å; F2995-K3022 HydrophobicContact CE1-CD 3.74Å; F2995-K3022 HydrophobicContact CE1-CG 3.9Å; F2995-K3022 HydrophobicContact CZ-CB 4.45Å; F2995-K3022 HydrophobicContact CZ-CD 4.37Å; F2995-K3022 HydrophobicContact CZ-CG 4.32Å; V3014-K3022 PolarHBondContact N-O 2.77Å; V3014-K3022 PolarHBondContact O-N 3.22Å; K3022-F3024 HydrophobicContact CB-CD2 4.48Å; K3022-F3024 HydrophobicContact CB-CE2 3.68Å; K3022-F3024 HydrophobicContact CB-CZ 4.1Å; K3022-F3024 HydrophobicContact CD-CZ 4.37Å; K3022-M3032 HydrophobicContact CD-CE 4.07Å; K3022-M3032 HydrophobicContact CD-SD 4.44Å; K3022-Y3034 WeakPolarHBondContact CA-O 3.44Å; K3022-H3035 VanDerWaalsContact CE-CD2 3.49Å; K3022-H3035 WeakPolarHBondContact CE-CD2 3.35Å |
| 3023 | I | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.5 | 177.3 | -54.8 | -178.6 | 0 | 0 | 0 | 109.1 | Y3011 L3012 A3013 M3032 I3033 Y3034 F3036 L3070 L3084 | Y3011-I3023 HydrophobicContact CD1-CG2 4.47Å; L3012-I3023 CarbonylContact O-C 3.58Å; L3012-I3023 VanDerWaalsContact O-CA 3.31Å; L3012-I3023 WeakPolarHBondContact O-CA 3.35Å; A3013-I3023 HydrophobicContact CB-CG1 4.21Å; I3023-M3032 CarbonylContact O-C 3.5Å; I3023-M3032 WeakPolarHBondContact O-CA 3.5Å; I3023-I3033 PolarHBondContact O-N 2.84Å; I3023-Y3034 HydrophobicContact CB-CD2 4.24Å; I3023-Y3034 HydrophobicContact CD1-CD2 4.04Å; I3023-Y3034 HydrophobicContact CD1-CG 4.47Å; I3023-Y3034 HydrophobicContact CG2-CD2 4.44Å; I3023-Y3034 PolarHBondContact N-O 3.41Å; I3023-Y3034 PolarHBondContact O-N 2.98Å; I3023-F3036 HydrophobicContact CD1-CE2 3.83Å; I3023-F3036 HydrophobicContact CG1-CE2 4.37Å; I3023-L3070 HydrophobicContact CD1-CD2 4.09Å; I3023-L3084 HydrophobicContact CD1-CD1 3.65Å; I3023-L3084 HydrophobicContact CD1-CD2 3.53Å; I3023-L3084 HydrophobicContact CD1-CG 4.25Å |
| 3024 | F | 91.1 | Very high | 88.2 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.1 | 179.1 | -60.3 | -94.4 | 0 | 0 | 0 | 110.9 | V2992 A2994 Y3011 L3012 V3014 K3022 P3030 Q3031 M3032 | V2992-F3024 HydrophobicContact CG1-CE1 4.35Å; A2994-F3024 HydrophobicContact CB-CE2 4.11Å; A2994-F3024 HydrophobicContact CB-CZ 4.01Å; Y3011-F3024 CarbonylContact C-O 3.49Å; Y3011-F3024 WeakPolarHBondContact CA-O 3.23Å; L3012-F3024 HydrophobicContact CB-CB 4.36Å; L3012-F3024 PolarHBondContact N-O 3.33Å; L3012-F3024 PolarHBondContact O-N 2.79Å; V3014-F3024 HydrophobicContact CB-CE2 4.45Å; V3014-F3024 HydrophobicContact CG2-CD2 3.98Å; V3014-F3024 HydrophobicContact CG2-CE2 4Å; K3022-F3024 HydrophobicContact CB-CD2 4.48Å; K3022-F3024 HydrophobicContact CB-CE2 3.68Å; K3022-F3024 HydrophobicContact CB-CZ 4.1Å; K3022-F3024 HydrophobicContact CD-CZ 4.37Å; F3024-P3030 HydrophobicContact CB-CB 4.43Å; F3024-Q3031 CarbonylContact C-O 3.39Å; F3024-Q3031 WeakPolarHBondContact CA-O 3.4Å; F3024-M3032 HydrophobicContact CD1-CB 3.9Å; F3024-M3032 HydrophobicContact CE1-CB 3.76Å; F3024-M3032 HydrophobicContact CE1-CG 4.24Å |
| 3025 | V | 89.6 | Confident | 87.9 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 130.6 | 161.5 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | I3010 Y3011 S3027 P3030 Q3031 I3033 | I3010-V3025 HydrophobicContact CG2-CG1 4.3Å; I3010-V3025 CarbonylContact O-C 3.56Å; Y3011-V3025 HydrophobicContact CD1-CG2 4.37Å; Y3011-V3025 HydrophobicContact CE1-CG2 4.23Å; V3025-S3027 PolarHBondContact O-N 3.42Å; V3025-P3030 WeakPolarHBondContact O-CA 3.27Å; V3025-P3030 WeakPolarHBondContact O-CB 3.42Å; V3025-Q3031 PolarHBondContact N-O 2.98Å; V3025-Q3031 PolarHBondContact O-N 3.46Å; V3025-I3033 HydrophobicContact CB-CD1 4.46Å; V3025-I3033 HydrophobicContact CG2-CD1 3.05Å; V3025-I3033 HydrophobicContact CG2-CG1 3.6Å |
| 3026 | L | 82.8 | Confident | 87.7 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -82 | 67.5 | 171.6 | -69.6 | 167.7 | 0 | 0 | 0 | 110.4 | Q2966 I2968 L2970 V3005 I3010 L3012 | Q2966-L3026 PolarHBondContact NE2-O 2.87Å; I2968-L3026 HydrophobicContact CD1-CD2 4.41Å; L2970-L3026 HydrophobicContact CD1-CD1 4.38Å; L2970-L3026 HydrophobicContact CD1-CD2 3.94Å; L2970-L3026 HydrophobicContact CD2-CD2 4.35Å; V3005-L3026 HydrophobicContact CG1-CD1 3.86Å; V3005-L3026 HydrophobicContact CG2-CD1 4.45Å; I3010-L3026 WeakPolarHBondContact O-CB 3.32Å; I3010-L3026 PolarHBondContact O-N 2.86Å; L3012-L3026 HydrophobicContact CB-CD1 4Å; L3012-L3026 HydrophobicContact CB-CD2 3.94Å; L3012-L3026 HydrophobicContact CB-CG 3.79Å; L3012-L3026 HydrophobicContact CD2-CD2 4.07Å | ||
| 3027 | S | 81.8 | Confident | 87.4 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -92.4 | -176.8 | 166.3 | 42.4 | 0 | 0 | 0 | 0 | 111.2 | V3025 V3029 | V3025-S3027 PolarHBondContact O-N 3.42Å; S3027-V3029 PolarHBondContact O-N 3.15Å; S3027-V3029 VanDerWaalsContact O-N 3.15Å; S3027-V3029 PolarHBondContact OG-O 3.02Å |
| 3028 | S | 76.9 | Confident | 87.1 | Confident | 88 Ų | 88 | 49 Ų | 49 | 62% | 0.615 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -53.4 | -33 | 174.9 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 3029 | V | 81.5 | Confident | 86.8 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 53% | 0.527 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -122.9 | 120.8 | 165.9 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | M2990 S3027 Q3031 | M2990-V3029 HydrophobicContact CE-CG1 4.5Å; S3027-V3029 PolarHBondContact O-N 3.15Å; S3027-V3029 VanDerWaalsContact O-N 3.15Å; S3027-V3029 PolarHBondContact OG-O 3.02Å; V3029-Q3031 PolarHBondContact O-N 3.07Å |
| 3030 | P | 83.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | trans | -72.5 | 129.8 | -177.9 | 25.8 | -29.1 | 0 | 0 | 0 | 111.1 | I2980 M2990 V2992 F3024 V3025 | I2980-P3030 HydrophobicContact CD1-CG 4.14Å; M2990-P3030 HydrophobicContact CE-CG 4.11Å; M2990-P3030 VanDerWaalsContact SD-CD 3.58Å; M2990-P3030 HydrophobicContact SD-CG 4.35Å; V2992-P3030 HydrophobicContact CB-CG 4.48Å; V2992-P3030 HydrophobicContact CG1-CG 4.45Å; V2992-P3030 HydrophobicContact CG2-CG 3.32Å; F3024-P3030 HydrophobicContact CB-CB 4.43Å; V3025-P3030 WeakPolarHBondContact O-CA 3.27Å; V3025-P3030 WeakPolarHBondContact O-CB 3.42Å | ||
| 3031 | Q | 85.1 | Confident | 86.1 | Confident | 129 Ų | 129 | 44.9 Ų | 44.9 | 60% | 0.603 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.2 | -178.9 | -65.7 | -175.8 | -3.6 | 0 | 0 | 109.8 | F3024 V3025 V3029 | F3024-Q3031 CarbonylContact C-O 3.39Å; F3024-Q3031 WeakPolarHBondContact CA-O 3.4Å; V3025-Q3031 PolarHBondContact N-O 2.98Å; V3025-Q3031 PolarHBondContact O-N 3.46Å; V3029-Q3031 PolarHBondContact O-N 3.07Å |
| 3032 | M | 88 | Confident | 84.9 | Confident | 95 Ų | 95 | 48.2 Ų | 48.2 | 47% | 0.468 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 125.7 | 176.3 | -172.1 | -156.8 | -50.9 | 0 | 0 | 109.8 | K3022 I3023 F3024 H3035 | K3022-M3032 HydrophobicContact CD-CE 4.07Å; K3022-M3032 HydrophobicContact CD-SD 4.44Å; I3023-M3032 CarbonylContact O-C 3.5Å; I3023-M3032 WeakPolarHBondContact O-CA 3.5Å; F3024-M3032 HydrophobicContact CD1-CB 3.9Å; F3024-M3032 HydrophobicContact CE1-CB 3.76Å; F3024-M3032 HydrophobicContact CE1-CG 4.24Å; M3032-H3035 HydrophobicContact SD-CB 3.88Å |
| 3033 | I | 88.5 | Confident | 83.3 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -51.4 | 173 | -59.1 | 167 | 0 | 0 | 0 | 110.6 | Y3011 I3023 V3025 T3087 | Y3011-I3033 HydrophobicContact CD1-CD1 3.86Å; Y3011-I3033 HydrophobicContact CE1-CD1 3.48Å; Y3011-I3033 VanDerWaalsContact CE1-CD1 3.48Å; I3023-I3033 PolarHBondContact O-N 2.84Å; V3025-I3033 HydrophobicContact CB-CD1 4.46Å; V3025-I3033 HydrophobicContact CG2-CD1 3.05Å; V3025-I3033 HydrophobicContact CG2-CG1 3.6Å; I3033-T3087 HydrophobicContact CG2-CG2 4.26Å |
| 3034 | Y | 86.9 | Confident | 81.2 | Confident | 53 Ų | 53 | 62 Ų | 62 | 21% | 0.208 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139 | -174.6 | -60.5 | -73.7 | 0 | 0 | 0 | 110.9 | K3022 I3023 F3036 L3084 Y3085 | K3022-Y3034 WeakPolarHBondContact CA-O 3.44Å; I3023-Y3034 HydrophobicContact CB-CD2 4.24Å; I3023-Y3034 HydrophobicContact CD1-CD2 4.04Å; I3023-Y3034 HydrophobicContact CD1-CG 4.47Å; I3023-Y3034 HydrophobicContact CG2-CD2 4.44Å; I3023-Y3034 PolarHBondContact N-O 3.41Å; I3023-Y3034 PolarHBondContact O-N 2.98Å; Y3034-F3036 HydrophobicContact CD1-CZ 4.22Å; Y3034-F3036 HydrophobicContact CG-CZ 4.06Å; Y3034-L3084 HydrophobicContact CD2-CD2 4.24Å; Y3034-L3084 HydrophobicContact CE2-CD2 4.29Å; Y3034-Y3085 PolarHBondContact OH-O 3.28Å |
| 3035 | H | 89.5 | Confident | 78.9 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 38% | 0.384 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 117.7 | 171.4 | 176.4 | -144 | 0 | 0 | 0 | 108.8 | K3022 M3032 P3037 | K3022-H3035 VanDerWaalsContact CE-CD2 3.49Å; K3022-H3035 WeakPolarHBondContact CE-CD2 3.35Å; M3032-H3035 HydrophobicContact SD-CB 3.88Å; H3035-P3037 WeakPolarHBondContact O-CD 3.39Å |
| 3036 | F | 88.8 | Confident | 76.6 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 5% | 0.053 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 94.9 | 176.8 | -52.1 | -62.5 | 0 | 0 | 0 | 109.4 | D3020 I3021 I3023 Y3034 E3039 L3070 L3084 | D3020-F3036 WeakPolarHBondContact CA-O 3.5Å; I3021-F3036 HydrophobicContact CB-CB 4.34Å; I3021-F3036 HydrophobicContact CB-CD2 4.23Å; I3021-F3036 HydrophobicContact CG2-CD2 4.25Å; I3021-F3036 PolarHBondContact N-O 3.49Å; I3021-F3036 PolarHBondContact O-N 2.99Å; I3023-F3036 HydrophobicContact CD1-CE2 3.83Å; I3023-F3036 HydrophobicContact CG1-CE2 4.37Å; Y3034-F3036 HydrophobicContact CD1-CZ 4.22Å; Y3034-F3036 HydrophobicContact CG-CZ 4.06Å; F3036-E3039 HydrophobicContact CB-CG 3.42Å; F3036-E3039 VanDerWaalsContact CB-CG 3.42Å; F3036-E3039 VanDerWaalsContact CB-OE1 3.28Å; F3036-E3039 WeakPolarHBondContact CB-OE1 3.43Å; F3036-E3039 HydrophobicContact CG-CG 4.5Å; F3036-L3070 HydrophobicContact CD2-CD2 4.4Å; F3036-L3070 HydrophobicContact CE2-CD2 4.04Å; F3036-L3084 HydrophobicContact CZ-CD2 4.46Å |
| 3037 | P | 85 | Confident | 74.6 | Confident | 76 Ų | 76 | 78.7 Ų | 78.7 | 49% | 0.494 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 140.9 | -179.1 | 29.1 | -33.9 | 0 | 0 | 0 | 111.3 | D3020 H3035 E3039 | D3020-P3037 WeakPolarHBondContact OD1-CA 3.48Å; H3035-P3037 WeakPolarHBondContact O-CD 3.39Å; P3037-E3039 VanDerWaalsContact C-N 3.26Å; P3037-E3039 PolarHBondContact O-N 2.83Å |
| 3038 | S | 83 | Confident | 72.6 | Confident | 76 Ų | 76 | 84.6 Ų | 84.6 | 53% | 0.531 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.2 | 171 | 65.8 | 0 | 0 | 0 | 0 | 115.3 | D3020 H3040 | D3020-S3038 PolarHBondContact OD1-N 3.12Å; S3038-H3040 PolarHBondContact O-N 3.23Å |
| 3039 | E | 82.7 | Confident | 71 | Confident | 8 Ų | 8 | 91.9 Ų | 91.9 | 4% | 0.037 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -49.7 | -179.1 | -65.8 | -145.8 | 132.8 | 0 | 0 | 112.3 | G3019 I3021 F3036 P3037 K3080 R3082 | G3019-E3039 PolarHBondContact O-N 2.81Å; I3021-E3039 VanDerWaalsContact CD1-OE2 3.3Å; I3021-E3039 WeakPolarHBondContact CD1-OE2 3.36Å; F3036-E3039 HydrophobicContact CB-CG 3.42Å; F3036-E3039 VanDerWaalsContact CB-CG 3.42Å; F3036-E3039 VanDerWaalsContact CB-OE1 3.28Å; F3036-E3039 WeakPolarHBondContact CB-OE1 3.43Å; F3036-E3039 HydrophobicContact CG-CG 4.5Å; P3037-E3039 VanDerWaalsContact C-N 3.26Å; P3037-E3039 PolarHBondContact O-N 2.83Å; E3039-K3080 VanDerWaalsContact C-NZ 3.34Å; E3039-K3080 HydrophobicContact CB-CD 4.41Å; E3039-K3080 WeakPolarHBondContact O-CE 3.23Å; E3039-K3080 PolarHBondContact O-NZ 2.97Å; E3039-R3082 IonicContact OE1-CZ 3.17Å; E3039-R3082 IonicContact OE1-NE 3.51Å; E3039-R3082 PolarHBondContact OE1-NE 2.79Å; E3039-R3082 IonicContact OE1-NH2 3.56Å; E3039-R3082 PolarHBondContact OE1-NH2 3.29Å |
| 3040 | H | 85.4 | Confident | 69.3 | Low | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 38.5 | 179.5 | -65.3 | -76.9 | 0 | 0 | 0 | 111.8 | G3019 S3038 S3042 V3059 S3072 G3074 D3076 S3078 | G3019-H3040 PolarHBondContact O-N 2.76Å; S3038-H3040 PolarHBondContact O-N 3.23Å; H3040-S3042 PolarHBondContact O-N 2.77Å; H3040-V3059 HydrophobicContact CB-CG2 4.2Å; H3040-S3072 PolarHBondContact CE1-O 3.31Å; H3040-S3072 VanDerWaalsContact NE2-CB 3.34Å; H3040-S3072 WeakPolarHBondContact NE2-CB 3.15Å; H3040-S3072 PolarHBondContact NE2-O 3.44Å; H3040-S3072 PolarHBondContact NE2-OG 2.8Å; H3040-G3074 PolarHBondContact ND1-N 2.88Å; H3040-D3076 IonicContact CE1-OD1 3.98Å; H3040-D3076 IonicContact CG-OD1 3.98Å; H3040-D3076 IonicContact ND1-OD1 3.98Å; H3040-D3076 PolarHBondContact ND1-OD1 2.81Å; H3040-S3078 PolarHBondContact CE1-O 2.82Å |
| 3041 | A | 79.1 | Confident | 67.3 | Low | 36 Ų | 36 | 95.2 Ų | 95.2 | 30% | 0.298 | 50% | 0.498 | S | S | . | . | trans | -62.2 | 133.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R3043 | A3041-R3043 PolarHBondContact O-N 3.34Š| ||
| 3042 | S | 67.8 | Low | 65.2 | Low | 70 Ų | 70 | 92.9 Ų | 92.9 | 49% | 0.49 | 51% | 0.509 | S | S | . | . | trans | -68.4 | 125.1 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | H3040 S3044 | H3040-S3042 PolarHBondContact O-N 2.77Å; S3042-S3044 PolarHBondContact O-N 2.94Å | ||
| 3043 | R | 60.4 | Low | 63.3 | Low | 202 Ų | 202 | 90.2 Ų | 90.2 | 76% | 0.762 | 50% | 0.5 | S | S | * | . | trans | -72.5 | 99 | 172.4 | -73.2 | -174.7 | 176.7 | 179.9 | -1.3 | 108.9 | A3041 T3045 | A3041-R3043 PolarHBondContact O-N 3.34Å; R3043-T3045 PolarHBondContact O-N 3.34Å | ||
| 3044 | S | 47.7 | Very low | 61.2 | Low | 118 Ų | 118 | 91 Ų | 91 | 83% | 0.825 | 51% | 0.514 | S | S | * | . | trans | -68.5 | 81.4 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | S3042 | S3042-S3044 PolarHBondContact O-N 2.94Š| ||
| 3045 | T | 42.3 | Very low | 60 | Low | 110 Ų | 110 | 95.9 Ų | 95.9 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | trans | -125.2 | 115.8 | 165.9 | 53.7 | 0 | 0 | 0 | 0 | 107.8 | R3043 S3047 | R3043-T3045 PolarHBondContact O-N 3.34Å; T3045-S3047 PolarHBondContact O-N 3.4Å | ||
| 3046 | F | 40.9 | Very low | 59 | Low | 225 Ų | 225 | 92.6 Ų | 92.6 | 99% | 0.987 | 53% | 0.525 | S | S | * | . | trans | -41.1 | 90.8 | 174.1 | -105.8 | -100.3 | 0 | 0 | 0 | 111.6 | ||||
| 3047 | S | 41.1 | Very low | 58.6 | Low | 68 Ų | 68 | 97.8 Ų | 97.8 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | trans | -110.4 | 108.1 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | T3045 R3049 S3050 | T3045-S3047 PolarHBondContact O-N 3.4Å; S3047-R3049 PolarHBondContact O-N 3.32Å; S3047-S3050 WeakPolarHBondContact O-CB 3.3Å; S3047-S3050 PolarHBondContact O-N 2.9Å | ||
| 3048 | L | 40.7 | Very low | 58.6 | Low | 169 Ų | 169 | 94.2 Ų | 94.2 | 89% | 0.885 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -9.5 | 179.6 | -131.3 | 143.3 | 0 | 0 | 0 | 112.9 | ||
| 3049 | R | 42.6 | Very low | 59 | Low | 240 Ų | 240 | 90.6 Ų | 90.6 | 91% | 0.906 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5.8 | 175.9 | -56.7 | -173 | -166.5 | -143.2 | 3.5 | 113.8 | S3047 V3051 | S3047-R3049 PolarHBondContact O-N 3.32Å; R3049-V3051 PolarHBondContact O-N 2.9Å |
| 3050 | S | 45.1 | Very low | 59.4 | Low | 46 Ų | 46 | 90.7 Ų | 90.7 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | trans | -93.4 | 14.1 | -169.9 | -164.3 | 0 | 0 | 0 | 0 | 115.4 | S3047 G3052 S3053 A3054 | S3047-S3050 WeakPolarHBondContact O-CB 3.3Å; S3047-S3050 PolarHBondContact O-N 2.9Å; S3050-G3052 PolarHBondContact O-N 3.48Å; S3050-G3052 VanDerWaalsContact O-N 3.12Å; S3050-S3053 PolarHBondContact O-N 3.15Å; S3050-S3053 PolarHBondContact OG-OG 2.77Å; S3050-A3054 PolarHBondContact O-N 3.07Å | ||
| 3051 | V | 41.5 | Very low | 59.7 | Low | 129 Ų | 129 | 93 Ų | 93 | 78% | 0.782 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.4 | -173.4 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | R3049 | R3049-V3051 PolarHBondContact O-N 2.9Š|
| 3052 | G | 42.9 | Very low | 60.5 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 84% | 0.835 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -20.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S3050 | S3050-G3052 PolarHBondContact O-N 3.48Å; S3050-G3052 VanDerWaalsContact O-N 3.12Å |
| 3053 | S | 46.7 | Very low | 61.6 | Low | 39 Ų | 39 | 92.5 Ų | 92.5 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -12.1 | -176.2 | 148.4 | 0 | 0 | 0 | 0 | 113.2 | S3050 Q3055 T3056 | S3050-S3053 PolarHBondContact O-N 3.15Å; S3050-S3053 PolarHBondContact OG-OG 2.77Å; S3053-Q3055 PolarHBondContact O-N 2.8Å; S3053-T3056 PolarHBondContact O-N 3.16Å |
| 3054 | A | 45.2 | Very low | 63.1 | Low | 70 Ų | 70 | 83 Ų | 83 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 1.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | S3050 | S3050-A3054 PolarHBondContact O-N 3.07Š|
| 3055 | Q | 60.5 | Low | 64.8 | Low | 155 Ų | 155 | 78.4 Ų | 78.4 | 72% | 0.724 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -6.8 | 179.6 | -68.5 | -170.4 | -9.5 | 0 | 0 | 114.9 | S3053 | S3053-Q3055 PolarHBondContact O-N 2.8Š|
| 3056 | T | 70 | Confident | 66.7 | Low | 14 Ų | 14 | 76.6 Ų | 76.6 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | trans | -100.7 | 109.2 | -174.3 | -36 | 0 | 0 | 0 | 0 | 109.7 | P2727 R2819 S3053 Q3060 A3075 | P2727-T3056 HydrophobicContact CB-CG2 4.33Å; P2727-T3056 HydrophobicContact CG-CG2 4.5Å; R2819-T3056 VanDerWaalsContact NH1-CG2 3.29Å; R2819-T3056 PolarHBondContact NH1-OG1 2.9Å; R2819-T3056 PolarHBondContact NH2-OG1 2.87Å; S3053-T3056 PolarHBondContact O-N 3.16Å; T3056-Q3060 HydrophobicContact CG2-CG 3.68Å; T3056-A3075 WeakPolarHBondContact O-CB 3.4Å | ||
| 3057 | Q | 79 | Confident | 68.4 | Low | 122 Ų | 122 | 70.2 Ų | 70.2 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | trans | -128.4 | 142.8 | -178.4 | -67.2 | -177.7 | -14.8 | 0 | 0 | 111 | A3017 Q3060 | A3017-Q3057 CarbonylContact O-C 3.55Å; Q3057-Q3060 PolarHBondContact O-NE2 3.08Å | ||
| 3058 | G | 86.5 | Confident | 70.4 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 69.7 | -156.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A3017 Q3060 G3074 A3075 | A3017-G3058 WeakPolarHBondContact O-CA 3.41Å; A3017-G3058 PolarHBondContact O-N 3.07Å; A3017-G3058 VanDerWaalsContact O-N 3.14Å; G3058-Q3060 PolarHBondContact O-N 3.36Å; G3058-G3074 VanDerWaalsContact O-CA 3.25Å; G3058-G3074 WeakPolarHBondContact O-CA 3.18Å; G3058-A3075 PolarHBondContact O-N 3.41Å; G3058-A3075 VanDerWaalsContact O-N 3.15Å |
| 3059 | V | 91.6 | Very high | 72.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 109.8 | -178.6 | -167.2 | 0 | 0 | 0 | 0 | 109.8 | R3001 S3002 S3016 I3021 H3040 I3062 | R3001-V3059 WeakPolarHBondContact CB-O 3.02Å; R3001-V3059 WeakPolarHBondContact CG-O 3.48Å; S3002-V3059 PolarHBondContact OG-O 2.71Å; S3016-V3059 PolarHBondContact O-N 3.45Å; I3021-V3059 HydrophobicContact CD1-CG1 4.06Å; I3021-V3059 HydrophobicContact CD1-CG2 4.25Å; I3021-V3059 HydrophobicContact CG1-CG1 4.34Å; I3021-V3059 HydrophobicContact CG1-CG2 3.8Å; H3040-V3059 HydrophobicContact CB-CG2 4.2Å; V3059-I3062 HydrophobicContact CG1-CD1 3.87Å; V3059-I3062 HydrophobicContact CG1-CG1 3.55Å |
| 3060 | Q | 90.4 | Very high | 74.8 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -37.9 | -176.4 | -70.1 | -56.5 | -44.6 | 0 | 0 | 112.9 | T2729 R3001 T3056 Q3057 G3058 C3073 | T2729-Q3060 WeakPolarHBondContact O-CB 3.08Å; R3001-Q3060 VanDerWaalsContact NH2-OE1 3.15Å; T3056-Q3060 HydrophobicContact CG2-CG 3.68Å; Q3057-Q3060 PolarHBondContact O-NE2 3.08Å; G3058-Q3060 PolarHBondContact O-N 3.36Å; Q3060-C3073 PolarHBondContact N-O 3.47Å |
| 3061 | M | 92.5 | Very high | 76.9 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 142.7 | -175.4 | -165.7 | 167.2 | -169.1 | 0 | 0 | 110.2 | A2730 F2731 M2821 S3072 C3073 | A2730-M3061 HydrophobicContact CB-SD 4.21Å; F2731-M3061 HydrophobicContact CD1-CB 4.2Å; F2731-M3061 HydrophobicContact CD1-CG 4.3Å; F2731-M3061 HydrophobicContact CD1-SD 4.22Å; F2731-M3061 HydrophobicContact CE1-CB 3.86Å; F2731-M3061 HydrophobicContact CE1-CG 3.91Å; F2731-M3061 HydrophobicContact CE1-SD 4.36Å; F2731-M3061 HydrophobicContact CZ-CG 4.35Å; F2731-M3061 WeakPolarHBondContact O-CE 3.5Å; M2821-M3061 WeakPolarHBondContact O-CE 3.44Å; M3061-S3072 WeakPolarHBondContact O-CA 3.37Å; M3061-C3073 PolarHBondContact O-N 3.01Å; M3061-C3073 VanDerWaalsContact O-N 3.07Å |
| 3062 | I | 94 | Very high | 79.3 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.9 | 175 | -61.2 | 171.9 | 0 | 0 | 0 | 107.4 | A3004 A3013 I3021 V3059 L3070 Y3071 | A3004-I3062 HydrophobicContact CB-CB 4.17Å; A3004-I3062 HydrophobicContact CB-CG2 3.86Å; A3004-I3062 WeakPolarHBondContact CB-O 3.36Å; A3013-I3062 HydrophobicContact CB-CG2 3.81Å; I3021-I3062 HydrophobicContact CD1-CD1 4.2Å; I3021-I3062 HydrophobicContact CD1-CG1 4.38Å; I3021-I3062 HydrophobicContact CG1-CD1 4.31Å; I3021-I3062 HydrophobicContact CG2-CD1 4.21Å; V3059-I3062 HydrophobicContact CG1-CD1 3.87Å; V3059-I3062 HydrophobicContact CG1-CG1 3.55Å; I3062-L3070 HydrophobicContact CG2-CD1 3.56Å; I3062-Y3071 CarbonylContact C-O 3.58Å; I3062-Y3071 VanDerWaalsContact CA-O 3.3Å; I3062-Y3071 WeakPolarHBondContact CA-O 3.35Å |
| 3063 | Y | 92.4 | Very high | 81.6 | Confident | 85 Ų | 85 | 38.3 Ų | 38.3 | 33% | 0.333 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.3 | 173.2 | -179.3 | -98.9 | 0 | 0 | 0 | 110.1 | I2733 D3065 Y3071 | I2733-Y3063 HydrophobicContact CD1-CD1 3.54Å; I2733-Y3063 HydrophobicContact CD1-CE1 3.94Å; I2733-Y3063 HydrophobicContact CD1-CG 4.34Å; Y3063-D3065 HydrophobicContact CE1-CB 4.04Å; Y3063-Y3071 AromaticContact CD1-CD2 3.99Å; Y3063-Y3071 HydrophobicContact CD1-CD2 3.99Å; Y3063-Y3071 PolarHBondContact N-O 3.28Å; Y3063-Y3071 PolarHBondContact O-N 2.78Å |
| 3064 | I | 90.7 | Very high | 83.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.2 | 173.5 | -61.8 | 167.7 | 0 | 0 | 0 | 107.5 | D3006 P3007 A3013 R3069 L3070 | D3006-I3064 HydrophobicContact CB-CD1 4.44Å; D3006-I3064 HydrophobicContact CB-CG2 4.04Å; P3007-I3064 WeakPolarHBondContact CD-O 3.39Å; A3013-I3064 HydrophobicContact CB-CD1 3.82Å; A3013-I3064 HydrophobicContact CB-CG1 4.45Å; I3064-R3069 WeakPolarHBondContact CA-O 3.23Å; I3064-L3070 HydrophobicContact CD1-CD1 4.39Å; I3064-L3070 HydrophobicContact CG1-CD1 3.77Å |
| 3065 | D | 84.9 | Confident | 85.2 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | trans | -86.7 | 163 | 175.6 | -174.4 | 14.4 | 0 | 0 | 0 | 111.6 | Y3063 Q3067 L3068 R3069 Y3071 | Y3063-D3065 HydrophobicContact CE1-CB 4.04Å; D3065-Q3067 PolarHBondContact O-N 3.05Å; D3065-Q3067 VanDerWaalsContact O-N 3.15Å; D3065-L3068 WeakPolarHBondContact O-CA 3.45Å; D3065-L3068 PolarHBondContact O-N 3.11Å; D3065-R3069 HydrophobicContact CB-CB 4.33Å; D3065-R3069 PolarHBondContact N-O 3.4Å; D3065-Y3071 HydrophobicContact CB-CE2 4.09Å | ||
| 3066 | S | 81.6 | Confident | 86.1 | Confident | 72 Ų | 72 | 27.4 Ų | 27.4 | 50% | 0.503 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -29.4 | 174 | 59 | 0 | 0 | 0 | 0 | 114.6 | L3068 | S3066-L3068 PolarHBondContact O-N 3.22Š|
| 3067 | Q | 76.6 | Confident | 86.8 | Confident | 92 Ų | 92 | 27.5 Ų | 27.5 | 43% | 0.43 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 15.4 | 173.6 | -62.5 | -171.6 | -7.6 | 0 | 0 | 113.4 | D3065 R3069 Q3083 | D3065-Q3067 PolarHBondContact O-N 3.05Å; D3065-Q3067 VanDerWaalsContact O-N 3.15Å; Q3067-R3069 VanDerWaalsContact C-N 3.29Å; Q3067-R3069 HydrophobicContact CB-CG 4.38Å; Q3067-R3069 PolarHBondContact O-N 3.47Å; Q3067-Q3083 PolarHBondContact O-NE2 3.27Å |
| 3068 | L | 83.9 | Confident | 87.1 | Confident | 30 Ų | 30 | 21.7 Ų | 21.7 | 16% | 0.157 | 11% | 0.112 | C | C | . | . | trans | 57.8 | 36.8 | -175.9 | -63.7 | 173.8 | 0 | 0 | 0 | 113.8 | D3006 Y3011 D3065 S3066 L3084 A3086 | D3006-L3068 WeakPolarHBondContact OD1-CD2 3.46Å; Y3011-L3068 HydrophobicContact CD2-CD2 3.65Å; Y3011-L3068 HydrophobicContact CE2-CD1 4.13Å; Y3011-L3068 HydrophobicContact CE2-CD2 3.8Å; D3065-L3068 WeakPolarHBondContact O-CA 3.45Å; D3065-L3068 PolarHBondContact O-N 3.11Å; S3066-L3068 PolarHBondContact O-N 3.22Å; L3068-L3084 HydrophobicContact CB-CB 4.28Å; L3068-L3084 WeakPolarHBondContact O-CA 3.44Å; L3068-L3084 WeakPolarHBondContact O-CB 3.48Å; L3068-L3084 WeakPolarHBondContact O-CG 3.27Å; L3068-L3084 PolarHBondContact O-N 3.02Å; L3068-A3086 HydrophobicContact CD1-CB 4.12Å | ||
| 3069 | R | 84.7 | Confident | 87.1 | Confident | 27 Ų | 27 | 21.9 Ų | 21.9 | 10% | 0.102 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.3 | 174.3 | -68.4 | 170.2 | -171.1 | -149.3 | 5.9 | 110.3 | F2738 L2758 I3064 D3065 Q3067 Y3071 L3081 R3082 | F2738-R3069 VanDerWaalsContact CZ-CZ 3.5Å; L2758-R3069 PolarHBondContact O-NH1 2.9Å; L2758-R3069 PolarHBondContact O-NH2 2.85Å; I3064-R3069 WeakPolarHBondContact CA-O 3.23Å; D3065-R3069 HydrophobicContact CB-CB 4.33Å; D3065-R3069 PolarHBondContact N-O 3.4Å; Q3067-R3069 VanDerWaalsContact C-N 3.29Å; Q3067-R3069 HydrophobicContact CB-CG 4.38Å; Q3067-R3069 PolarHBondContact O-N 3.47Å; R3069-Y3071 HydrophobicContact CB-CD2 4.47Å; R3069-Y3071 HydrophobicContact CB-CE2 3.77Å; R3069-L3081 HydrophobicContact CB-CD1 4.17Å; R3069-R3082 CarbonylContact C-O 3.58Å; R3069-R3082 WeakPolarHBondContact CA-O 3.36Å |
| 3070 | L | 89.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.3 | 176.4 | -175.7 | 75 | 0 | 0 | 0 | 110.2 | A3013 I3021 I3023 F3036 I3062 I3064 L3081 R3082 L3084 | A3013-L3070 HydrophobicContact CB-CD1 3.89Å; I3021-L3070 HydrophobicContact CG2-CD2 4.34Å; I3023-L3070 HydrophobicContact CD1-CD2 4.09Å; F3036-L3070 HydrophobicContact CD2-CD2 4.4Å; F3036-L3070 HydrophobicContact CE2-CD2 4.04Å; I3062-L3070 HydrophobicContact CG2-CD1 3.56Å; I3064-L3070 HydrophobicContact CD1-CD1 4.39Å; I3064-L3070 HydrophobicContact CG1-CD1 3.77Å; L3070-L3081 WeakPolarHBondContact O-CA 3.41Å; L3070-R3082 HydrophobicContact CB-CB 4.34Å; L3070-R3082 PolarHBondContact N-O 3.42Å; L3070-R3082 PolarHBondContact O-N 3.4Å; L3070-L3084 HydrophobicContact CB-CD1 4.18Å; L3070-L3084 HydrophobicContact CB-CD2 4.36Å; L3070-L3084 HydrophobicContact CB-CG 4.18Å |
| 3071 | Y | 90.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.3 | 171.6 | -61.7 | -99.5 | 0 | 0 | 0 | 109.3 | F2731 I2733 I2754 L2758 I3062 Y3063 D3065 R3069 K3080 L3081 | F2731-Y3071 HydrophobicContact CE2-CG 4.46Å; I2733-Y3071 HydrophobicContact CD1-CD1 3.71Å; I2733-Y3071 HydrophobicContact CD1-CD2 3.61Å; I2733-Y3071 HydrophobicContact CD1-CE1 3.85Å; I2733-Y3071 HydrophobicContact CD1-CE2 3.77Å; I2733-Y3071 HydrophobicContact CD1-CG 3.58Å; I2754-Y3071 HydrophobicContact CD1-CE1 3.93Å; L2758-Y3071 WeakPolarHBondContact CD2-OH 3.43Å; I3062-Y3071 CarbonylContact C-O 3.58Å; I3062-Y3071 VanDerWaalsContact CA-O 3.3Å; I3062-Y3071 WeakPolarHBondContact CA-O 3.35Å; Y3063-Y3071 AromaticContact CD1-CD2 3.99Å; Y3063-Y3071 HydrophobicContact CD1-CD2 3.99Å; Y3063-Y3071 PolarHBondContact N-O 3.28Å; Y3063-Y3071 PolarHBondContact O-N 2.78Å; D3065-Y3071 HydrophobicContact CB-CE2 4.09Å; R3069-Y3071 HydrophobicContact CB-CD2 4.47Å; R3069-Y3071 HydrophobicContact CB-CE2 3.77Å; Y3071-K3080 WeakPolarHBondContact CA-O 3.34Å; Y3071-L3081 HydrophobicContact CD1-CD1 3.85Å; Y3071-L3081 HydrophobicContact CD2-CD1 4.4Å; Y3071-L3081 HydrophobicContact CE1-CD1 3.42Å; Y3071-L3081 VanDerWaalsContact CE1-CD1 3.42Å; Y3071-L3081 HydrophobicContact CE2-CD1 4.02Å; Y3071-L3081 HydrophobicContact CG-CD1 4.32Å |
| 3072 | S | 91.8 | Very high | 86.2 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.9 | 177.2 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | I3021 H3040 M3061 L3079 K3080 | I3021-S3072 VanDerWaalsContact CD1-CB 3.42Å; H3040-S3072 PolarHBondContact CE1-O 3.31Å; H3040-S3072 VanDerWaalsContact NE2-CB 3.34Å; H3040-S3072 WeakPolarHBondContact NE2-CB 3.15Å; H3040-S3072 PolarHBondContact NE2-O 3.44Å; H3040-S3072 PolarHBondContact NE2-OG 2.8Å; M3061-S3072 WeakPolarHBondContact O-CA 3.37Å; S3072-L3079 CarbonylContact O-C 3.53Å; S3072-L3079 WeakPolarHBondContact O-CA 3.46Å; S3072-K3080 PolarHBondContact N-O 2.84Å; S3072-K3080 PolarHBondContact O-N 3.41Å |
| 3073 | C | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.4 | 174.2 | 83.5 | 0 | 0 | 0 | 0 | 111.3 | I2728 F2731 Q3060 M3061 L3079 | I2728-C3073 HydrophobicContact CB-CB 4.26Å; I2728-C3073 HydrophobicContact CG2-CB 3.73Å; F2731-C3073 HydrophobicContact CD1-CB 3.76Å; F2731-C3073 HydrophobicContact CE1-CB 4.05Å; Q3060-C3073 PolarHBondContact N-O 3.47Å; M3061-C3073 PolarHBondContact O-N 3.01Å; M3061-C3073 VanDerWaalsContact O-N 3.07Å; C3073-L3079 HydrophobicContact CB-CD1 4.08Å |
| 3074 | G | 86.1 | Confident | 85 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -163 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | H3040 G3058 D3076 C3077 | H3040-G3074 PolarHBondContact ND1-N 2.88Å; G3058-G3074 VanDerWaalsContact O-CA 3.25Å; G3058-G3074 WeakPolarHBondContact O-CA 3.18Å; G3074-D3076 PolarHBondContact O-N 2.92Å; G3074-C3077 PolarHBondContact O-N 3.26Å |
| 3075 | A | 81.4 | Confident | 84 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 11% | 0.107 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T3056 G3058 C3077 | T3056-A3075 WeakPolarHBondContact O-CB 3.4Å; G3058-A3075 PolarHBondContact O-N 3.41Å; G3058-A3075 VanDerWaalsContact O-N 3.15Å; A3075-C3077 PolarHBondContact O-N 3.39Å |
| 3076 | D | 81.1 | Confident | 82.8 | Confident | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 14.7 | 178.4 | 83.8 | -35.4 | 0 | 0 | 0 | 113.8 | K2719 H3040 G3074 S3078 | K2719-D3076 WeakPolarHBondContact CE-OD2 3.29Å; K2719-D3076 IonicContact NZ-OD2 2.82Å; K2719-D3076 PolarHBondContact NZ-OD2 3.38Å; H3040-D3076 IonicContact CE1-OD1 3.98Å; H3040-D3076 IonicContact CG-OD1 3.98Å; H3040-D3076 IonicContact ND1-OD1 3.98Å; H3040-D3076 PolarHBondContact ND1-OD1 2.81Å; G3074-D3076 PolarHBondContact O-N 2.92Å; D3076-S3078 PolarHBondContact O-N 2.94Å; D3076-S3078 PolarHBondContact OD1-N 3.27Å; D3076-S3078 PolarHBondContact OD1-OG 3.42Å; D3076-S3078 PolarHBondContact OD2-OG 2.79Å |
| 3077 | C | 84 | Confident | 81.3 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 10% | 0.101 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 59.1 | 30.1 | 179 | -48.3 | 0 | 0 | 0 | 0 | 112.9 | Q2722 H2725 D2726 G3074 A3075 | Q2722-C3077 PolarHBondContact N-O 2.86Å; H2725-C3077 PolarHBondContact O-SG 3.2Å; D2726-C3077 VanDerWaalsContact C-SG 3.58Å; D2726-C3077 WeakPolarHBondContact O-CB 3.43Å; G3074-C3077 PolarHBondContact O-N 3.26Å; A3075-C3077 PolarHBondContact O-N 3.39Å |
| 3078 | S | 84.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 149.8 | -177.6 | 82.2 | 0 | 0 | 0 | 0 | 114.1 | K2719 V2720 H3040 D3076 | K2719-S3078 WeakPolarHBondContact CE-OG 3.25Å; V2720-S3078 CarbonylContact O-C 3.54Å; V2720-S3078 VanDerWaalsContact O-CA 3.22Å; V2720-S3078 WeakPolarHBondContact O-CA 3.36Å; V2720-S3078 WeakPolarHBondContact O-CB 3.49Å; H3040-S3078 PolarHBondContact CE1-O 2.82Å; D3076-S3078 PolarHBondContact O-N 2.94Å; D3076-S3078 PolarHBondContact OD1-N 3.27Å; D3076-S3078 PolarHBondContact OD1-OG 3.42Å; D3076-S3078 PolarHBondContact OD2-OG 2.79Å |
| 3079 | L | 87 | Confident | 81.4 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.6 | 162.8 | -179.7 | 81.4 | 0 | 0 | 0 | 107.2 | V2720 I2728 F2731 I2741 I2743 S3072 C3073 | V2720-L3079 HydrophobicContact CB-CB 4.34Å; V2720-L3079 PolarHBondContact N-O 3.42Å; V2720-L3079 PolarHBondContact O-N 2.97Å; I2728-L3079 HydrophobicContact CD1-CB 4.23Å; F2731-L3079 HydrophobicContact CB-CD1 4.47Å; F2731-L3079 HydrophobicContact CD1-CD1 3.78Å; F2731-L3079 HydrophobicContact CD2-CD1 4.48Å; F2731-L3079 HydrophobicContact CE1-CD1 4.08Å; F2731-L3079 HydrophobicContact CG-CD1 3.99Å; I2741-L3079 HydrophobicContact CD1-CD1 4.24Å; I2741-L3079 HydrophobicContact CD1-CD2 3.43Å; I2741-L3079 VanDerWaalsContact CD1-CD2 3.43Å; I2741-L3079 HydrophobicContact CD1-CG 4.48Å; I2743-L3079 HydrophobicContact CD1-CD2 4.06Å; S3072-L3079 CarbonylContact O-C 3.53Å; S3072-L3079 WeakPolarHBondContact O-CA 3.46Å; C3073-L3079 HydrophobicContact CB-CD1 4.08Å |
| 3080 | K | 87.3 | Confident | 81.2 | Confident | 30 Ų | 30 | 32.2 Ų | 32.2 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.2 | 177.1 | -64.1 | -176.4 | -177 | -169.6 | 0 | 109.9 | F2718 K2719 E3039 Y3071 S3072 | F2718-K3080 WeakPolarHBondContact O-CA 3.29Å; K2719-K3080 HydrophobicContact CG-CG 4.23Å; E3039-K3080 VanDerWaalsContact C-NZ 3.34Å; E3039-K3080 HydrophobicContact CB-CD 4.41Å; E3039-K3080 WeakPolarHBondContact O-CE 3.23Å; E3039-K3080 PolarHBondContact O-NZ 2.97Å; Y3071-K3080 WeakPolarHBondContact CA-O 3.34Å; S3072-K3080 PolarHBondContact N-O 2.84Å; S3072-K3080 PolarHBondContact O-N 3.41Å |
| 3081 | L | 85.7 | Confident | 80.8 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 9% | 0.089 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.3 | 176.2 | 168 | 75.9 | 0 | 0 | 0 | 108.7 | A2717 F2718 L2758 R3069 L3070 Y3071 | A2717-L3081 CarbonylContact C-O 3.58Å; A2717-L3081 VanDerWaalsContact CA-O 3.24Å; A2717-L3081 WeakPolarHBondContact CA-O 3.49Å; F2718-L3081 HydrophobicContact CB-CB 4.3Å; F2718-L3081 HydrophobicContact CB-CD2 4.32Å; F2718-L3081 HydrophobicContact CD2-CD2 4.12Å; F2718-L3081 PolarHBondContact N-O 3.39Å; F2718-L3081 PolarHBondContact O-N 3.04Å; L2758-L3081 HydrophobicContact CD2-CD1 3.89Å; L2758-L3081 HydrophobicContact CD2-CD2 3.38Å; L2758-L3081 HydrophobicContact CD2-CG 4.27Å; L2758-L3081 HydrophobicContact CG-CD2 4.39Å; R3069-L3081 HydrophobicContact CB-CD1 4.17Å; L3070-L3081 WeakPolarHBondContact O-CA 3.41Å; Y3071-L3081 HydrophobicContact CD1-CD1 3.85Å; Y3071-L3081 HydrophobicContact CD2-CD1 4.4Å; Y3071-L3081 HydrophobicContact CE1-CD1 3.42Å; Y3071-L3081 VanDerWaalsContact CE1-CD1 3.42Å; Y3071-L3081 HydrophobicContact CE2-CD1 4.02Å; Y3071-L3081 HydrophobicContact CG-CD1 4.32Å |
| 3082 | R | 84 | Confident | 80.2 | Confident | 41 Ų | 41 | 36.1 Ų | 36.1 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 136.2 | 173.2 | -70.1 | 177.8 | 174.5 | -91.5 | 9.4 | 110.4 | S2715 A2717 E3039 R3069 L3070 | S2715-R3082 PolarHBondContact O-NH1 3.22Å; A2717-R3082 HydrophobicContact CB-CG 3.5Å; A2717-R3082 VanDerWaalsContact CB-CG 3.5Å; E3039-R3082 IonicContact OE1-CZ 3.17Å; E3039-R3082 IonicContact OE1-NE 3.51Å; E3039-R3082 PolarHBondContact OE1-NE 2.79Å; E3039-R3082 IonicContact OE1-NH2 3.56Å; E3039-R3082 PolarHBondContact OE1-NH2 3.29Å; R3069-R3082 CarbonylContact C-O 3.58Å; R3069-R3082 WeakPolarHBondContact CA-O 3.36Å; L3070-R3082 HydrophobicContact CB-CB 4.34Å; L3070-R3082 PolarHBondContact N-O 3.42Å; L3070-R3082 PolarHBondContact O-N 3.4Å |
| 3083 | Q | 80.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 38.3 Ų | 38.3 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125.3 | 164.5 | -176.3 | 62.5 | 49.5 | 0 | 0 | 108.4 | S2715 Q3067 Y3085 | S2715-Q3083 WeakPolarHBondContact CB-O 3.21Å; Q3067-Q3083 PolarHBondContact O-NE2 3.27Å; Q3083-Y3085 HydrophobicContact CG-CE1 4.22Å; Q3083-Y3085 HydrophobicContact CG-CE2 4.5Å |
| 3084 | L | 79.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -92 | 135 | 167.5 | -51.7 | 172.4 | 0 | 0 | 0 | 107.4 | I3023 Y3034 F3036 L3068 L3070 | I3023-L3084 HydrophobicContact CD1-CD1 3.65Å; I3023-L3084 HydrophobicContact CD1-CD2 3.53Å; I3023-L3084 HydrophobicContact CD1-CG 4.25Å; Y3034-L3084 HydrophobicContact CD2-CD2 4.24Å; Y3034-L3084 HydrophobicContact CE2-CD2 4.29Å; F3036-L3084 HydrophobicContact CZ-CD2 4.46Å; L3068-L3084 HydrophobicContact CB-CB 4.28Å; L3068-L3084 WeakPolarHBondContact O-CA 3.44Å; L3068-L3084 WeakPolarHBondContact O-CB 3.48Å; L3068-L3084 WeakPolarHBondContact O-CG 3.27Å; L3068-L3084 PolarHBondContact O-N 3.02Å; L3070-L3084 HydrophobicContact CB-CD1 4.18Å; L3070-L3084 HydrophobicContact CB-CD2 4.36Å; L3070-L3084 HydrophobicContact CB-CG 4.18Å |
| 3085 | Y | 70.3 | Confident | 78.1 | Confident | 145 Ų | 145 | 44.2 Ų | 44.2 | 57% | 0.569 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -93.9 | 133.6 | 171 | -63.4 | -79.2 | 0 | 0 | 0 | 108.3 | Y3034 Q3083 T3087 | Y3034-Y3085 PolarHBondContact OH-O 3.28Å; Q3083-Y3085 HydrophobicContact CG-CE1 4.22Å; Q3083-Y3085 HydrophobicContact CG-CE2 4.5Å; Y3085-T3087 PolarHBondContact O-N 2.82Å |
| 3086 | A | 59 | Low | 77.8 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 59% | 0.587 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 118.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | L3068 | L3068-A3086 HydrophobicContact CD1-CB 4.12Š|
| 3087 | T | 50.2 | Low | 77.5 | Confident | 150 Ų | 150 | 49 Ų | 49 | 92% | 0.92 | 26% | 0.262 | S | S | * | . | trans | -77.1 | 0 | 173.1 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | I3033 Y3085 | I3033-T3087 HydrophobicContact CG2-CG2 4.26Å; Y3085-T3087 PolarHBondContact O-N 2.82Å |
Retrieved 3,087 of 3,087 residues in 822.1 ms
(Link to these results)