| 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 | 36.2 | Very low | 48.5 | Very low | 232 Ų | 232 | 139.4 Ų | 139.4 | 100% | 1.143 | 77% | 0.773 | S | S | * | * | 0 | 131.6 | 0 | -66 | 173.3 | 174.5 | 0 | 0 | 108.8 | H3 | M1-H3 PolarHBondContact O-N 2.85Š| |||
| 2 | P | 43.6 | Very low | 51.3 | Low | 132 Ų | 132 | 129.6 Ų | 129.6 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | trans | -78.2 | 107.9 | 174.9 | 30.6 | -31.8 | 0 | 0 | 0 | 110.4 | N4 | P2-N4 PolarHBondContact O-N 3.48Š| ||
| 3 | H | 43.8 | Very low | 54.2 | Low | 188 Ų | 188 | 129.8 Ų | 129.8 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -83.9 | 54.3 | -173 | -159.2 | -79.6 | 0 | 0 | 0 | 113.2 | M1 | M1-H3 PolarHBondContact O-N 2.85Š| ||
| 4 | N | 46.7 | Very low | 56.6 | Low | 124 Ų | 124 | 123.2 Ų | 123.2 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | trans | -114.8 | 60.7 | 175.6 | -165.8 | 20.1 | 0 | 0 | 0 | 111.3 | P2 I6 | P2-N4 PolarHBondContact O-N 3.48Å; N4-I6 PolarHBondContact O-N 2.87Å | ||
| 5 | S | 39.1 | Very low | 58.8 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -73 | 81.7 | 170.7 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | R7 | S5-R7 PolarHBondContact O-N 3.16Š| ||
| 6 | I | 47.9 | Very low | 60.5 | Low | 124 Ų | 124 | 125.1 Ų | 125.1 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -62.5 | 101.2 | 169 | -58.7 | 174.9 | 0 | 0 | 0 | 106.5 | N4 S8 | N4-I6 PolarHBondContact O-N 2.87Å; I6-S8 PolarHBondContact O-N 3.28Å; I6-S8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | R | 46.2 | Very low | 62 | Low | 227 Ų | 227 | 119.6 Ų | 119.6 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | trans | -51.1 | 120.2 | 170.3 | -71.3 | -179.9 | 175.4 | -112.1 | 2.1 | 108.1 | S5 G9 | S5-R7 PolarHBondContact O-N 3.16Å; R7-G9 PolarHBondContact O-N 2.91Å | ||
| 8 | S | 49.7 | Very low | 63.4 | Low | 115 Ų | 115 | 113.4 Ų | 113.4 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | trans | -62.9 | 79.9 | -177.4 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | I6 H10 | I6-S8 PolarHBondContact O-N 3.28Å; I6-S8 VanDerWaalsContact O-N 3.09Å; S8-H10 PolarHBondContact O-N 2.71Å | ||
| 9 | G | 52.8 | Low | 64.8 | Low | 48 Ų | 48 | 111.8 Ų | 111.8 | 50% | 0.495 | 64% | 0.635 | S | S | . | * | trans | -78.1 | 69.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R7 G11 | R7-G9 PolarHBondContact O-N 2.91Å; G9-G11 PolarHBondContact O-N 3.19Å | ||
| 10 | H | 62.1 | Low | 66 | Low | 177 Ų | 177 | 109.9 Ų | 109.9 | 82% | 0.819 | 62% | 0.619 | S | S | * | * | trans | 29.8 | 64.5 | 163.2 | -63.5 | 86.9 | 0 | 0 | 0 | 114 | S8 G12 | S8-H10 PolarHBondContact O-N 2.71Å; H10-G12 PolarHBondContact O-N 3Å | ||
| 11 | G | 66 | Low | 67 | Low | 59 Ų | 59 | 107.8 Ų | 107.8 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.1 | 111.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | G9 F20 | G9-G11 PolarHBondContact O-N 3.19Å; G11-F20 CarbonylContact C-O 3.56Å; G11-F20 WeakPolarHBondContact CA-O 3.42Å |
| 12 | G | 82.1 | Confident | 69.3 | Low | 22 Ų | 22 | 102.9 Ų | 102.9 | 23% | 0.227 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77 | 147.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H10 A19 F20 | H10-G12 PolarHBondContact O-N 3Å; G12-A19 CarbonylContact O-C 3.57Å; G12-A19 WeakPolarHBondContact O-CA 3.34Å; G12-F20 PolarHBondContact N-O 2.97Å; G12-F20 WeakPolarHBondContact O-CD1 3.43Å; G12-F20 PolarHBondContact O-N 3.44Å |
| 13 | L | 88.8 | Confident | 71.2 | Confident | 133 Ų | 133 | 100.2 Ų | 100.2 | 70% | 0.696 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95 | 130.7 | 159.8 | -63.9 | -178.9 | 0 | 0 | 0 | 108.3 | A19 | L13-A19 HydrophobicContact CD2-CB 4.26Å |
| 14 | N | 87.8 | Confident | 73.2 | Confident | 37 Ų | 37 | 100.5 Ų | 100.5 | 20% | 0.198 | 58% | 0.577 | C | S | . | * | P | Polyproline II helix | trans | -81.7 | 172.5 | 172.5 | 67.9 | 36 | 0 | 0 | 0 | 110.9 | L16 G17 G18 F20 R52 | N14-L16 PolarHBondContact O-N 2.91Å; N14-L16 WeakPolarHBondContact OD1-CA 3.23Å; N14-L16 WeakPolarHBondContact OD1-CB 3.28Å; N14-L16 PolarHBondContact OD1-N 3.15Å; N14-G17 PolarHBondContact O-N 3.03Å; N14-G17 PolarHBondContact OD1-N 3.13Å; N14-G18 VanDerWaalsContact CG-O 3.28Å; N14-G18 PolarHBondContact N-O 2.85Å; N14-G18 PolarHBondContact ND2-O 2.75Å; N14-G18 PolarHBondContact OD1-N 2.63Å; N14-F20 HydrophobicContact CB-CD1 3.93Å; N14-F20 HydrophobicContact CB-CE1 3.97Å; N14-R52 PolarHBondContact ND2-O 3.12Å; N14-R52 PolarHBondContact OD1-O 3.48Å |
| 15 | Q | 89.2 | Confident | 75.2 | Confident | 204 Ų | 204 | 97.7 Ų | 97.7 | 95% | 0.953 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -15.1 | -179.8 | -68.1 | 173 | -16.7 | 0 | 0 | 114.6 | ||
| 16 | L | 86.7 | Confident | 77.6 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5.8 | 175.6 | -57.2 | 172.1 | 0 | 0 | 0 | 112.3 | N14 G18 R52 V53 | N14-L16 PolarHBondContact O-N 2.91Å; N14-L16 WeakPolarHBondContact OD1-CA 3.23Å; N14-L16 WeakPolarHBondContact OD1-CB 3.28Å; N14-L16 PolarHBondContact OD1-N 3.15Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 3.48Å; L16-R52 HydrophobicContact CB-CB 4.1Å; L16-R52 WeakPolarHBondContact O-CB 3.49Å; L16-R52 VanDerWaalsContact O-CD 3.27Å; L16-R52 WeakPolarHBondContact O-CD 3.28Å; L16-R52 VanDerWaalsContact O-CG 3.31Å; L16-R52 WeakPolarHBondContact O-CG 3.46Å; L16-V53 WeakPolarHBondContact CD1-O 3.37Å |
| 17 | G | 85.3 | Confident | 79.7 | Confident | 32 Ų | 32 | 92.1 Ų | 92.1 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | S | Bend | trans | 70.6 | 24.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | N14 R52 | N14-G17 PolarHBondContact O-N 3.03Å; N14-G17 PolarHBondContact OD1-N 3.13Å; G17-R52 VanDerWaalsContact O-CD 3.29Å; G17-R52 WeakPolarHBondContact O-CD 3.41Å; G17-R52 PolarHBondContact O-NH1 2.89Å |
| 18 | G | 87.8 | Confident | 81.9 | Confident | 8 Ų | 8 | 85.1 Ų | 85.1 | 8% | 0.082 | 51% | 0.509 | C | S | . | . | trans | -99.4 | 136.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N14 L16 | N14-G18 VanDerWaalsContact CG-O 3.28Å; N14-G18 PolarHBondContact N-O 2.85Å; N14-G18 PolarHBondContact ND2-O 2.75Å; N14-G18 PolarHBondContact OD1-N 2.63Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 3.48Å | ||
| 19 | A | 89.4 | Confident | 83.9 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 69% | 0.686 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 135.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G12 L13 | G12-A19 CarbonylContact O-C 3.57Å; G12-A19 WeakPolarHBondContact O-CA 3.34Å; L13-A19 HydrophobicContact CD2-CB 4.26Å |
| 20 | F | 88.2 | Confident | 85.9 | Confident | 72 Ų | 72 | 84.9 Ų | 84.9 | 32% | 0.316 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 161.1 | 175.7 | 75.5 | -78.7 | 0 | 0 | 0 | 111.5 | G11 G12 N14 | G11-F20 CarbonylContact C-O 3.56Å; G11-F20 WeakPolarHBondContact CA-O 3.42Å; G12-F20 PolarHBondContact N-O 2.97Å; G12-F20 WeakPolarHBondContact O-CD1 3.43Å; G12-F20 PolarHBondContact O-N 3.44Å; N14-F20 HydrophobicContact CB-CD1 3.93Å; N14-F20 HydrophobicContact CB-CE1 3.97Å |
| 21 | V | 87.4 | Confident | 87.4 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.2 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | R24 | V21-R24 HydrophobicContact CB-CB 4.27Å; V21-R24 HydrophobicContact CG1-CB 4.3Å; V21-R24 HydrophobicContact CG1-CG 4.01Å; V21-R24 PolarHBondContact O-N 3.46Å |
| 22 | N | 85.1 | Confident | 88.8 | Confident | 130 Ų | 130 | 78.7 Ų | 78.7 | 70% | 0.695 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 138.9 | -179.9 | -95 | -41.1 | 0 | 0 | 0 | 111.7 | R24 | N22-R24 PolarHBondContact O-N 2.68Š|
| 23 | G | 82.7 | Confident | 89.4 | Confident | 76 Ų | 76 | 82.8 Ų | 82.8 | 78% | 0.784 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 0 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 24 | R | 86.6 | Confident | 89.7 | Confident | 193 Ų | 193 | 76.4 Ų | 76.4 | 73% | 0.728 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -109.2 | 147.6 | 176.1 | -65.4 | -165.9 | 178.6 | -161.2 | -2.9 | 111.9 | V21 N22 | V21-R24 HydrophobicContact CB-CB 4.27Å; V21-R24 HydrophobicContact CG1-CB 4.3Å; V21-R24 HydrophobicContact CG1-CG 4.01Å; V21-R24 PolarHBondContact O-N 3.46Å; N22-R24 PolarHBondContact O-N 2.68Å |
| 25 | P | 89 | Confident | 90.1 | Very high | 65 Ų | 65 | 74.8 Ų | 74.8 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 150 | 172.2 | 29.1 | -34.7 | 0 | 0 | 0 | 110.9 | P73 I76 | P25-P73 HydrophobicContact CB-CB 3.61Å; P25-P73 HydrophobicContact CB-CG 4.01Å; P25-P73 HydrophobicContact CG-CB 4.16Å; P25-P73 HydrophobicContact CG-CG 4.1Å; P25-I76 HydrophobicContact CB-CD1 4.38Å |
| 26 | L | 89.8 | Confident | 90.4 | Very high | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 143.5 | 173.7 | -170.5 | 70 | 0 | 0 | 0 | 110.4 | V30 R31 I34 V53 I61 | L26-V30 HydrophobicContact CD1-CG1 4.4Å; L26-V30 HydrophobicContact CD2-CB 4.1Å; L26-V30 HydrophobicContact CD2-CG1 3.85Å; L26-V30 HydrophobicContact CG-CB 4.08Å; L26-V30 HydrophobicContact CG-CG1 4.22Å; L26-R31 HydrophobicContact CB-CG 4.23Å; L26-R31 HydrophobicContact CD2-CG 4.14Å; L26-R31 HydrophobicContact CG-CG 4.46Å; L26-R31 VanDerWaalsContact O-CZ 3.32Å; L26-R31 PolarHBondContact O-NE 3.03Å; L26-R31 PolarHBondContact O-NH2 3.12Å; L26-I34 HydrophobicContact CD2-CD1 3.83Å; L26-V53 HydrophobicContact CD1-CG2 4.28Å; L26-V53 HydrophobicContact CD2-CG1 4.05Å; L26-V53 HydrophobicContact CD2-CG2 4.07Å; L26-I61 HydrophobicContact CD2-CD1 3.81Å |
| 27 | P | 91.2 | Very high | 90.8 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 146.5 | -178.9 | -26.8 | 35.7 | 0 | 0 | 0 | 113.8 | V29 V30 R31 | P27-V29 VanDerWaalsContact C-N 3.29Å; P27-V29 PolarHBondContact O-N 3Å; P27-V30 HydrophobicContact CB-CG2 4.3Å; P27-V30 PolarHBondContact O-N 3.35Å; P27-V30 VanDerWaalsContact O-N 3.07Å; P27-R31 PolarHBondContact O-N 3.47Å; P27-R31 VanDerWaalsContact O-N 3.09Å |
| 28 | E | 91.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -54.1 | -44.3 | -176.3 | -155 | 69.9 | -139.8 | 0 | 0 | 112.3 | V30 R31 Q32 I71 | E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.88Å; E28-R31 PolarHBondContact O-N 3.3Å; E28-R31 VanDerWaalsContact O-N 3.11Å; E28-R31 IonicContact OE1-CZ 3.92Å; E28-R31 IonicContact OE1-NH1 3.86Å; E28-R31 PolarHBondContact OE1-NH1 3.2Å; E28-R31 IonicContact OE1-NH2 2.79Å; E28-R31 IonicContact OE2-CZ 2.67Å; E28-R31 VanDerWaalsContact OE2-CZ 3.25Å; E28-R31 IonicContact OE2-NH1 3.76Å; E28-R31 PolarHBondContact OE2-NH1 2.9Å; E28-R31 IonicContact OE2-NH2 2.97Å; E28-R31 PolarHBondContact OE2-NH2 3.41Å; E28-Q32 PolarHBondContact O-N 2.92Å; E28-I71 HydrophobicContact CG-CD1 4.32Å; E28-I71 WeakPolarHBondContact OE1-CD1 3.4Å |
| 29 | V | 92.9 | Very high | 91.6 | Very high | 118 Ų | 118 | 69.2 Ų | 69.2 | 72% | 0.715 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.2 | -39.4 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 112 | P27 R33 | P27-V29 VanDerWaalsContact C-N 3.29Å; P27-V29 PolarHBondContact O-N 3Å; V29-R33 WeakPolarHBondContact O-CB 3.39Å; V29-R33 PolarHBondContact O-N 2.72Å |
| 30 | V | 93.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 24% | 0.242 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -76.2 | -32.7 | 178.9 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | L26 P27 E28 R33 I34 L51 V53 | L26-V30 HydrophobicContact CD1-CG1 4.4Å; L26-V30 HydrophobicContact CD2-CB 4.1Å; L26-V30 HydrophobicContact CD2-CG1 3.85Å; L26-V30 HydrophobicContact CG-CB 4.08Å; L26-V30 HydrophobicContact CG-CG1 4.22Å; P27-V30 HydrophobicContact CB-CG2 4.3Å; P27-V30 PolarHBondContact O-N 3.35Å; P27-V30 VanDerWaalsContact O-N 3.07Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.88Å; V30-R33 PolarHBondContact O-N 2.72Å; V30-I34 HydrophobicContact CG1-CD1 4.48Å; V30-I34 VanDerWaalsContact O-CG1 3.31Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.39Å; V30-L51 HydrophobicContact CG1-CB 4.5Å; V30-L51 HydrophobicContact CG1-CD1 4.38Å; V30-V53 HydrophobicContact CG1-CG2 3.8Å |
| 31 | R | 94.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 173.2 | -78.8 | -172.2 | -80.1 | 96.8 | 8.4 | 112.8 | L26 P27 E28 V35 I61 I71 | L26-R31 HydrophobicContact CB-CG 4.23Å; L26-R31 HydrophobicContact CD2-CG 4.14Å; L26-R31 HydrophobicContact CG-CG 4.46Å; L26-R31 VanDerWaalsContact O-CZ 3.32Å; L26-R31 PolarHBondContact O-NE 3.03Å; L26-R31 PolarHBondContact O-NH2 3.12Å; P27-R31 PolarHBondContact O-N 3.47Å; P27-R31 VanDerWaalsContact O-N 3.09Å; E28-R31 PolarHBondContact O-N 3.3Å; E28-R31 VanDerWaalsContact O-N 3.11Å; E28-R31 IonicContact OE1-CZ 3.92Å; E28-R31 IonicContact OE1-NH1 3.86Å; E28-R31 PolarHBondContact OE1-NH1 3.2Å; E28-R31 IonicContact OE1-NH2 2.79Å; E28-R31 IonicContact OE2-CZ 2.67Å; E28-R31 VanDerWaalsContact OE2-CZ 3.25Å; E28-R31 IonicContact OE2-NH1 3.76Å; E28-R31 PolarHBondContact OE2-NH1 2.9Å; E28-R31 IonicContact OE2-NH2 2.97Å; E28-R31 PolarHBondContact OE2-NH2 3.41Å; R31-V35 PolarHBondContact O-N 2.98Å; R31-I61 HydrophobicContact CG-CD1 3.79Å; R31-I61 HydrophobicContact CG-CG1 4.21Å; R31-I61 HydrophobicContact CG-CG2 4.41Å; R31-I71 HydrophobicContact CB-CD1 4.09Å; R31-I71 PolarHBondContact NH1-O 3.45Å |
| 32 | Q | 94.7 | Very high | 92.6 | Very high | 91 Ų | 91 | 68.9 Ų | 68.9 | 43% | 0.425 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59 | -51.6 | 168 | -71.5 | -66.3 | 21.2 | 0 | 0 | 110.3 | E28 I34 V35 D36 I71 | E28-Q32 PolarHBondContact O-N 2.92Å; Q32-I34 PolarHBondContact O-N 3.12Å; Q32-I34 VanDerWaalsContact O-N 3.13Å; Q32-V35 CarbonylContact O-C 3.6Å; Q32-V35 WeakPolarHBondContact O-CA 3.23Å; Q32-V35 WeakPolarHBondContact O-CB 3.25Å; Q32-V35 PolarHBondContact O-N 3.22Å; Q32-D36 PolarHBondContact O-N 3.09Å; Q32-I71 HydrophobicContact CB-CD1 4.34Å; Q32-I71 HydrophobicContact CG-CD1 3.5Å |
| 33 | R | 95.2 | Very high | 93.1 | Very high | 108 Ų | 108 | 71 Ų | 71 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -28.1 | -175.3 | -166.8 | 59.3 | 179.7 | 173.2 | 3.2 | 114.2 | V29 V30 D36 L37 L51 | V29-R33 WeakPolarHBondContact O-CB 3.39Å; V29-R33 PolarHBondContact O-N 2.72Å; V30-R33 PolarHBondContact O-N 2.72Å; R33-D36 WeakPolarHBondContact CA-OD2 3.33Å; R33-D36 IonicContact NH1-OD2 2.75Å; R33-L37 HydrophobicContact CG-CD1 4.23Å; R33-L37 WeakPolarHBondContact O-CB 3.34Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 VanDerWaalsContact O-CG 3.28Å; R33-L37 WeakPolarHBondContact O-CG 3.34Å; R33-L37 PolarHBondContact O-N 2.91Å; R33-L51 HydrophobicContact CB-CD1 4.19Å; R33-L51 HydrophobicContact CB-CD2 4.46Å; R33-L51 HydrophobicContact CG-CD1 4.08Å; R33-L51 HydrophobicContact CG-CD2 3.73Å |
| 34 | I | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 170.4 | -76.4 | 164.6 | 0 | 0 | 0 | 111.3 | L26 V30 Q32 A38 I47 L51 V53 V58 I61 L62 | L26-I34 HydrophobicContact CD2-CD1 3.83Å; V30-I34 HydrophobicContact CG1-CD1 4.48Å; V30-I34 VanDerWaalsContact O-CG1 3.31Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.39Å; Q32-I34 PolarHBondContact O-N 3.12Å; Q32-I34 VanDerWaalsContact O-N 3.13Å; I34-A38 PolarHBondContact O-N 3.49Å; I34-I47 HydrophobicContact CB-CG2 4.34Å; I34-I47 HydrophobicContact CG1-CG2 3.94Å; I34-I47 HydrophobicContact CG2-CG2 4.42Å; I34-L51 HydrophobicContact CB-CD1 4.47Å; I34-L51 HydrophobicContact CG1-CD1 3.53Å; I34-V53 HydrophobicContact CD1-CG1 4.25Å; I34-V58 HydrophobicContact CD1-CG2 4.2Å; I34-V58 HydrophobicContact CG1-CG2 4.44Å; I34-V58 HydrophobicContact CG2-CG1 4.01Å; I34-I61 HydrophobicContact CB-CG2 4.45Å; I34-I61 HydrophobicContact CD1-CD1 3.56Å; I34-I61 HydrophobicContact CG2-CB 4.31Å; I34-I61 HydrophobicContact CG2-CG2 3.92Å; I34-L62 HydrophobicContact CG2-CD1 4.46Å; I34-L62 HydrophobicContact CG2-CD2 3.79Å; I34-L62 HydrophobicContact CG2-CG 3.87Å |
| 35 | V | 95.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.8 | -43.5 | 178.4 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | R31 Q32 L37 A38 H39 L62 Y65 I71 | R31-V35 PolarHBondContact O-N 2.98Å; Q32-V35 CarbonylContact O-C 3.6Å; Q32-V35 WeakPolarHBondContact O-CA 3.23Å; Q32-V35 WeakPolarHBondContact O-CB 3.25Å; Q32-V35 PolarHBondContact O-N 3.22Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 3.06Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.12Å; V35-H39 WeakPolarHBondContact CG1-CE1 3.25Å; V35-H39 PolarHBondContact O-N 3.16Å; V35-L62 HydrophobicContact CG2-CD2 4.16Å; V35-Y65 HydrophobicContact CG1-CD1 3.85Å; V35-Y65 HydrophobicContact CG1-CD2 4.22Å; V35-Y65 HydrophobicContact CG1-CE1 3.6Å; V35-Y65 HydrophobicContact CG1-CE2 3.98Å; V35-Y65 HydrophobicContact CG1-CG 4.15Å; V35-Y65 HydrophobicContact CG2-CD1 4.09Å; V35-Y65 HydrophobicContact CG2-CD2 3.98Å; V35-Y65 HydrophobicContact CG2-CG 3.73Å; V35-I71 HydrophobicContact CB-CG2 4.45Å; V35-I71 HydrophobicContact CG2-CG2 3.66Å |
| 36 | D | 95.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -51.3 | -49.4 | 175.8 | -63.7 | -23.8 | 0 | 0 | 0 | 111.4 | Q32 R33 H39 Q40 | Q32-D36 PolarHBondContact O-N 3.09Å; R33-D36 WeakPolarHBondContact CA-OD2 3.33Å; R33-D36 IonicContact NH1-OD2 2.75Å; D36-H39 PolarHBondContact O-N 3.28Å; D36-Q40 WeakPolarHBondContact O-CG 3.35Å; D36-Q40 PolarHBondContact O-N 2.95Å; D36-Q40 PolarHBondContact O-NE2 2.99Å |
| 37 | L | 95.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.7 | -33.8 | -177.4 | -69.5 | 170.3 | 0 | 0 | 0 | 111.8 | R33 V35 Q40 G41 V42 I47 L51 | R33-L37 HydrophobicContact CG-CD1 4.23Å; R33-L37 WeakPolarHBondContact O-CB 3.34Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 VanDerWaalsContact O-CG 3.28Å; R33-L37 WeakPolarHBondContact O-CG 3.34Å; R33-L37 PolarHBondContact O-N 2.91Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 3.06Å; L37-Q40 CarbonylContact O-C 3.59Å; L37-Q40 WeakPolarHBondContact O-CB 3.31Å; L37-Q40 PolarHBondContact O-N 3.45Å; L37-G41 PolarHBondContact O-N 3.44Å; L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG2 4.3Å; L37-V42 HydrophobicContact CD2-CG2 4.21Å; L37-V42 VanDerWaalsContact O-CB 3.24Å; L37-V42 WeakPolarHBondContact O-CB 3.45Å; L37-V42 WeakPolarHBondContact O-CG2 3.25Å; L37-V42 PolarHBondContact O-N 2.99Å; L37-I47 HydrophobicContact CB-CD1 3.77Å; L37-I47 HydrophobicContact CB-CG1 3.76Å; L37-I47 HydrophobicContact CD1-CG1 4.38Å; L37-I47 HydrophobicContact CD1-CG2 4.28Å; L37-L51 HydrophobicContact CD1-CD1 4.04Å; L37-L51 HydrophobicContact CD1-CD2 4.23Å; L37-L51 HydrophobicContact CD1-CG 4.12Å |
| 38 | A | 94.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I34 V35 Q40 G41 I47 L62 | I34-A38 PolarHBondContact O-N 3.49Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.12Å; A38-Q40 VanDerWaalsContact C-N 3.3Å; A38-Q40 PolarHBondContact O-N 3.42Å; A38-G41 PolarHBondContact O-N 3.26Å; A38-I47 HydrophobicContact CB-CD1 4Å; A38-L62 HydrophobicContact CB-CD1 4.09Å; A38-L62 HydrophobicContact CB-CD2 3.54Å; A38-L62 HydrophobicContact CB-CG 4.49Å |
| 39 | H | 94.8 | Very high | 95 | Very high | 114 Ų | 114 | 59.8 Ų | 59.8 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.4 | -28.4 | 171.5 | -67.6 | 153.4 | 0 | 0 | 0 | 113.3 | V35 D36 G41 Y65 | V35-H39 WeakPolarHBondContact CG1-CE1 3.25Å; V35-H39 PolarHBondContact O-N 3.16Å; D36-H39 PolarHBondContact O-N 3.28Å; H39-G41 PolarHBondContact O-N 3.17Å; H39-Y65 AromaticContact CE1-CE1 3.54Å; H39-Y65 AromaticContact CE1-CZ 3.79Å; H39-Y65 PolarHBondContact CE1-OH 2.99Å; H39-Y65 AromaticContact NE2-CE1 3.43Å; H39-Y65 WeakPolarHBondContact NE2-CE1 3.45Å |
| 40 | Q | 96.2 | Very high | 95 | Very high | 115 Ų | 115 | 59.9 Ų | 59.9 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 5.6 | 168.9 | -72.5 | 157 | 75.8 | 0 | 0 | 113.2 | D36 L37 A38 V42 | D36-Q40 WeakPolarHBondContact O-CG 3.35Å; D36-Q40 PolarHBondContact O-N 2.95Å; D36-Q40 PolarHBondContact O-NE2 2.99Å; L37-Q40 CarbonylContact O-C 3.59Å; L37-Q40 WeakPolarHBondContact O-CB 3.31Å; L37-Q40 PolarHBondContact O-N 3.45Å; A38-Q40 VanDerWaalsContact C-N 3.3Å; A38-Q40 PolarHBondContact O-N 3.42Å; Q40-V42 VanDerWaalsContact C-N 3.26Å; Q40-V42 HydrophobicContact CB-CG2 4.17Å; Q40-V42 PolarHBondContact O-N 3.1Å |
| 41 | G | 93.8 | Very high | 95 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L37 A38 H39 R43 | L37-G41 PolarHBondContact O-N 3.44Å; A38-G41 PolarHBondContact O-N 3.26Å; H39-G41 PolarHBondContact O-N 3.17Å; G41-R43 PolarHBondContact O-N 3.47Å |
| 42 | V | 96.3 | Very high | 95 | Very high | 36 Ų | 36 | 66.1 Ų | 66.1 | 22% | 0.218 | 32% | 0.322 | C | S | . | . | trans | -70 | 132.1 | 179.6 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | L37 Q40 D46 I47 | L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG2 4.3Å; L37-V42 HydrophobicContact CD2-CG2 4.21Å; L37-V42 VanDerWaalsContact O-CB 3.24Å; L37-V42 WeakPolarHBondContact O-CB 3.45Å; L37-V42 WeakPolarHBondContact O-CG2 3.25Å; L37-V42 PolarHBondContact O-N 2.99Å; Q40-V42 VanDerWaalsContact C-N 3.26Å; Q40-V42 HydrophobicContact CB-CG2 4.17Å; Q40-V42 PolarHBondContact O-N 3.1Å; V42-D46 HydrophobicContact CG1-CB 3.92Å; V42-I47 HydrophobicContact CB-CD1 4.36Å; V42-I47 HydrophobicContact CB-CG1 4.02Å; V42-I47 HydrophobicContact CG1-CG1 3.8Å; V42-I47 WeakPolarHBondContact O-CD1 3.43Å | ||
| 43 | R | 96 | Very high | 95 | Very high | 175 Ų | 175 | 62.3 Ų | 62.3 | 66% | 0.66 | 30% | 0.304 | S | S | * | . | trans | -65.9 | 140.6 | -176.4 | -54.7 | 178.9 | 73.9 | -174.8 | 3.5 | 110.6 | G41 C45 D46 I47 | G41-R43 PolarHBondContact O-N 3.47Å; R43-C45 PolarHBondContact O-N 2.88Å; R43-D46 WeakPolarHBondContact O-CA 3.48Å; R43-D46 PolarHBondContact O-N 2.93Å; R43-I47 PolarHBondContact O-N 3.37Å | ||
| 44 | P | 94.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.2 | -28.5 | -178.5 | -30.2 | 36.5 | 0 | 0 | 0 | 115.5 | S48 V58 L62 | P44-S48 VanDerWaalsContact O-CB 3.31Å; P44-S48 WeakPolarHBondContact O-CB 3.24Å; P44-S48 PolarHBondContact O-N 2.99Å; P44-V58 HydrophobicContact CB-CG1 4.15Å; P44-L62 HydrophobicContact CB-CD1 4.33Å; P44-L62 HydrophobicContact CG-CD1 4.04Å |
| 45 | C | 95.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 65 Ų | 65 | 25% | 0.25 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.1 | -30.7 | 174.6 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | R43 R49 | R43-C45 PolarHBondContact O-N 2.88Å; C45-R49 VanDerWaalsContact O-CZ 3.32Å; C45-R49 PolarHBondContact O-N 3.35Å; C45-R49 PolarHBondContact O-NE 3.3Å |
| 46 | D | 95.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -81.2 | -37.2 | 174.7 | -63.7 | -52.5 | 0 | 0 | 0 | 111.6 | V42 R43 S48 R49 Q50 | V42-D46 HydrophobicContact CG1-CB 3.92Å; R43-D46 WeakPolarHBondContact O-CA 3.48Å; R43-D46 PolarHBondContact O-N 2.93Å; D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 3.1Å; D46-R49 PolarHBondContact O-N 2.8Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NE 3.13Å; D46-R49 PolarHBondContact OD1-NE 3Å; D46-R49 VanDerWaalsContact OD1-NE 3.13Å; D46-R49 IonicContact OD1-NH2 2.68Å; D46-R49 PolarHBondContact OD1-NH2 3.22Å; D46-R49 IonicContact OD2-NH2 3.88Å; D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.3Å; D46-Q50 WeakPolarHBondContact O-CG 3.36Å; D46-Q50 PolarHBondContact O-N 3.24Å |
| 47 | I | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 168.9 | -60 | 178 | 0 | 0 | 0 | 110.4 | I34 L37 A38 V42 R43 R49 Q50 L51 V58 | I34-I47 HydrophobicContact CB-CG2 4.34Å; I34-I47 HydrophobicContact CG1-CG2 3.94Å; I34-I47 HydrophobicContact CG2-CG2 4.42Å; L37-I47 HydrophobicContact CB-CD1 3.77Å; L37-I47 HydrophobicContact CB-CG1 3.76Å; L37-I47 HydrophobicContact CD1-CG1 4.38Å; L37-I47 HydrophobicContact CD1-CG2 4.28Å; A38-I47 HydrophobicContact CB-CD1 4Å; V42-I47 HydrophobicContact CB-CD1 4.36Å; V42-I47 HydrophobicContact CB-CG1 4.02Å; V42-I47 HydrophobicContact CG1-CG1 3.8Å; V42-I47 WeakPolarHBondContact O-CD1 3.43Å; R43-I47 PolarHBondContact O-N 3.37Å; I47-R49 PolarHBondContact O-N 3.45Å; I47-Q50 PolarHBondContact O-N 2.97Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.45Å; I47-L51 WeakPolarHBondContact O-CB 3.23Å; I47-L51 PolarHBondContact O-N 2.95Å; I47-V58 HydrophobicContact CB-CG1 4.24Å; I47-V58 HydrophobicContact CG2-CG1 3.98Å; I47-V58 HydrophobicContact CG2-CG2 4.38Å |
| 48 | S | 95.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.1 | -45 | 176.5 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | P44 D46 R52 V53 H55 | P44-S48 VanDerWaalsContact O-CB 3.31Å; P44-S48 WeakPolarHBondContact O-CB 3.24Å; P44-S48 PolarHBondContact O-N 2.99Å; D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 3.1Å; S48-R52 CarbonylContact O-C 3.59Å; S48-R52 VanDerWaalsContact O-CA 3.31Å; S48-R52 WeakPolarHBondContact O-CA 3.43Å; S48-R52 PolarHBondContact O-N 3.04Å; S48-R52 VanDerWaalsContact O-N 3.1Å; S48-V53 CarbonylContact C-O 3.59Å; S48-V53 VanDerWaalsContact CA-O 3.3Å; S48-V53 WeakPolarHBondContact CA-O 3.45Å; S48-V53 WeakPolarHBondContact CB-O 3.26Å; S48-V53 PolarHBondContact O-N 2.99Å; S48-V53 PolarHBondContact OG-O 2.95Å; S48-H55 PolarHBondContact OG-N 3.2Å |
| 49 | R | 93.9 | Very high | 94.7 | Very high | 141 Ų | 141 | 68.2 Ų | 68.2 | 53% | 0.532 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -51.7 | 175.7 | -75.3 | -179.9 | -83.3 | -94.2 | 6.3 | 112.7 | C45 D46 I47 L51 R52 | C45-R49 VanDerWaalsContact O-CZ 3.32Å; C45-R49 PolarHBondContact O-N 3.35Å; C45-R49 PolarHBondContact O-NE 3.3Å; D46-R49 PolarHBondContact O-N 2.8Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NE 3.13Å; D46-R49 PolarHBondContact OD1-NE 3Å; D46-R49 VanDerWaalsContact OD1-NE 3.13Å; D46-R49 IonicContact OD1-NH2 2.68Å; D46-R49 PolarHBondContact OD1-NH2 3.22Å; D46-R49 IonicContact OD2-NH2 3.88Å; I47-R49 PolarHBondContact O-N 3.45Å; R49-L51 PolarHBondContact O-N 3.38Å; R49-R52 PolarHBondContact O-N 3.4Å |
| 50 | Q | 93.7 | Very high | 94.7 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 56% | 0.556 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | -175.7 | -72 | 175.9 | 16.5 | 0 | 0 | 112.4 | D46 I47 R52 | D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.3Å; D46-Q50 WeakPolarHBondContact O-CG 3.36Å; D46-Q50 PolarHBondContact O-N 3.24Å; I47-Q50 PolarHBondContact O-N 2.97Å; Q50-R52 VanDerWaalsContact C-N 3.32Å |
| 51 | L | 93.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.9 | -178.9 | -56.9 | -178.4 | 0 | 0 | 0 | 113.1 | V30 R33 I34 L37 I47 R49 V53 | V30-L51 HydrophobicContact CG1-CB 4.5Å; V30-L51 HydrophobicContact CG1-CD1 4.38Å; R33-L51 HydrophobicContact CB-CD1 4.19Å; R33-L51 HydrophobicContact CB-CD2 4.46Å; R33-L51 HydrophobicContact CG-CD1 4.08Å; R33-L51 HydrophobicContact CG-CD2 3.73Å; I34-L51 HydrophobicContact CB-CD1 4.47Å; I34-L51 HydrophobicContact CG1-CD1 3.53Å; L37-L51 HydrophobicContact CD1-CD1 4.04Å; L37-L51 HydrophobicContact CD1-CD2 4.23Å; L37-L51 HydrophobicContact CD1-CG 4.12Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.45Å; I47-L51 WeakPolarHBondContact O-CB 3.23Å; I47-L51 PolarHBondContact O-N 2.95Å; R49-L51 PolarHBondContact O-N 3.38Å; L51-V53 HydrophobicContact CB-CG2 4.06Å; L51-V53 PolarHBondContact O-N 3.21Å |
| 52 | R | 94 | Very high | 94.6 | Very high | 140 Ų | 140 | 63.3 Ų | 63.3 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 37.9 | -174.8 | -52.6 | -179.7 | 178.1 | -167.1 | -0.9 | 112.8 | N14 L16 G17 S48 R49 Q50 | N14-R52 PolarHBondContact ND2-O 3.12Å; N14-R52 PolarHBondContact OD1-O 3.48Å; L16-R52 HydrophobicContact CB-CB 4.1Å; L16-R52 WeakPolarHBondContact O-CB 3.49Å; L16-R52 VanDerWaalsContact O-CD 3.27Å; L16-R52 WeakPolarHBondContact O-CD 3.28Å; L16-R52 VanDerWaalsContact O-CG 3.31Å; L16-R52 WeakPolarHBondContact O-CG 3.46Å; G17-R52 VanDerWaalsContact O-CD 3.29Å; G17-R52 WeakPolarHBondContact O-CD 3.41Å; G17-R52 PolarHBondContact O-NH1 2.89Å; S48-R52 CarbonylContact O-C 3.59Å; S48-R52 VanDerWaalsContact O-CA 3.31Å; S48-R52 WeakPolarHBondContact O-CA 3.43Å; S48-R52 PolarHBondContact O-N 3.04Å; S48-R52 VanDerWaalsContact O-N 3.1Å; R49-R52 PolarHBondContact O-N 3.4Å; Q50-R52 VanDerWaalsContact C-N 3.32Å |
| 53 | V | 93.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | trans | -106.7 | 138.5 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 108.6 | L16 L26 V30 I34 S48 L51 C57 V58 | L16-V53 WeakPolarHBondContact CD1-O 3.37Å; L26-V53 HydrophobicContact CD1-CG2 4.28Å; L26-V53 HydrophobicContact CD2-CG1 4.05Å; L26-V53 HydrophobicContact CD2-CG2 4.07Å; V30-V53 HydrophobicContact CG1-CG2 3.8Å; I34-V53 HydrophobicContact CD1-CG1 4.25Å; S48-V53 CarbonylContact C-O 3.59Å; S48-V53 VanDerWaalsContact CA-O 3.3Å; S48-V53 WeakPolarHBondContact CA-O 3.45Å; S48-V53 WeakPolarHBondContact CB-O 3.26Å; S48-V53 PolarHBondContact O-N 2.99Å; S48-V53 PolarHBondContact OG-O 2.95Å; L51-V53 HydrophobicContact CB-CG2 4.06Å; L51-V53 PolarHBondContact O-N 3.21Å; V53-C57 HydrophobicContact CG1-CB 3.75Å; V53-V58 HydrophobicContact CB-CG2 4.09Å; V53-V58 HydrophobicContact CG1-CG2 3.87Å | ||
| 54 | S | 93.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 58 Ų | 58 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | trans | -60.7 | 140.1 | -179.1 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | G56 C57 V58 | S54-G56 VanDerWaalsContact C-N 3.28Å; S54-G56 PolarHBondContact O-N 3.22Å; S54-C57 WeakPolarHBondContact O-CA 3.18Å; S54-C57 VanDerWaalsContact O-CB 3.32Å; S54-C57 WeakPolarHBondContact O-CB 3.36Å; S54-C57 PolarHBondContact O-N 3.45Å; S54-C57 WeakPolarHBondContact OG-CB 3.18Å; S54-V58 PolarHBondContact O-N 2.89Å; S54-V58 VanDerWaalsContact O-N 3.1Å | ||
| 55 | H | 95.6 | Very high | 94.1 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.6 | -40 | -174.6 | -176.1 | -110.5 | 0 | 0 | 0 | 113.1 | S48 C57 V58 S59 | S48-H55 PolarHBondContact OG-N 3.2Å; H55-C57 VanDerWaalsContact C-N 3.27Å; H55-C57 PolarHBondContact O-N 2.97Å; H55-V58 PolarHBondContact O-N 2.9Å; H55-S59 WeakPolarHBondContact O-CB 3.39Å; H55-S59 PolarHBondContact O-N 2.8Å |
| 56 | G | 94.2 | Very high | 93.9 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.9 | -22.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S54 K60 | S54-G56 VanDerWaalsContact C-N 3.28Å; S54-G56 PolarHBondContact O-N 3.22Å; G56-K60 VanDerWaalsContact O-CB 3.22Å; G56-K60 WeakPolarHBondContact O-CB 3.48Å; G56-K60 PolarHBondContact O-N 3.15Å |
| 57 | C | 92.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 68.2 Ų | 68.2 | 25% | 0.25 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -78.5 | -46.2 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | V53 S54 H55 S59 K60 I61 | V53-C57 HydrophobicContact CG1-CB 3.75Å; S54-C57 WeakPolarHBondContact O-CA 3.18Å; S54-C57 VanDerWaalsContact O-CB 3.32Å; S54-C57 WeakPolarHBondContact O-CB 3.36Å; S54-C57 PolarHBondContact O-N 3.45Å; S54-C57 WeakPolarHBondContact OG-CB 3.18Å; H55-C57 VanDerWaalsContact C-N 3.27Å; H55-C57 PolarHBondContact O-N 2.97Å; C57-S59 PolarHBondContact O-N 3.1Å; C57-K60 PolarHBondContact O-N 3.36Å; C57-I61 WeakPolarHBondContact O-CD1 3.39Å; C57-I61 WeakPolarHBondContact O-CG1 3.44Å; C57-I61 PolarHBondContact O-N 3.04Å |
| 58 | V | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.9 | -52.1 | 173.5 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | I34 P44 I47 V53 S54 H55 K60 I61 L62 | I34-V58 HydrophobicContact CD1-CG2 4.2Å; I34-V58 HydrophobicContact CG1-CG2 4.44Å; I34-V58 HydrophobicContact CG2-CG1 4.01Å; P44-V58 HydrophobicContact CB-CG1 4.15Å; I47-V58 HydrophobicContact CB-CG1 4.24Å; I47-V58 HydrophobicContact CG2-CG1 3.98Å; I47-V58 HydrophobicContact CG2-CG2 4.38Å; V53-V58 HydrophobicContact CB-CG2 4.09Å; V53-V58 HydrophobicContact CG1-CG2 3.87Å; S54-V58 PolarHBondContact O-N 2.89Å; S54-V58 VanDerWaalsContact O-N 3.1Å; H55-V58 PolarHBondContact O-N 2.9Å; V58-K60 PolarHBondContact O-N 3.21Å; V58-I61 PolarHBondContact O-N 2.93Å; V58-L62 HydrophobicContact CG1-CD1 3.93Å; V58-L62 HydrophobicContact CG1-CG 4.46Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 2.89Å |
| 59 | S | 95.1 | Very high | 92.9 | Very high | 69 Ų | 69 | 74.4 Ų | 74.4 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57 | -44.5 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 112.6 | H55 C57 I61 L62 G63 | H55-S59 WeakPolarHBondContact O-CB 3.39Å; H55-S59 PolarHBondContact O-N 2.8Å; C57-S59 PolarHBondContact O-N 3.1Å; S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 3.09Å; S59-L62 PolarHBondContact O-N 3.02Å; S59-G63 PolarHBondContact O-N 3.07Å |
| 60 | K | 94.1 | Very high | 92.5 | Very high | 159 Ų | 159 | 69.7 Ų | 69.7 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.8 | -30.6 | 179.4 | -175 | 171.4 | -65.1 | -173.8 | 0 | 113.5 | G56 C57 V58 R64 | G56-K60 VanDerWaalsContact O-CB 3.22Å; G56-K60 WeakPolarHBondContact O-CB 3.48Å; G56-K60 PolarHBondContact O-N 3.15Å; C57-K60 PolarHBondContact O-N 3.36Å; V58-K60 PolarHBondContact O-N 3.21Å; K60-R64 WeakPolarHBondContact O-CB 3.49Å; K60-R64 PolarHBondContact O-N 3.03Å |
| 61 | I | 93.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.8 | -45.9 | 174.5 | -69.4 | 156.3 | 0 | 0 | 0 | 110.2 | L26 R31 I34 C57 V58 S59 Y65 | L26-I61 HydrophobicContact CD2-CD1 3.81Å; R31-I61 HydrophobicContact CG-CD1 3.79Å; R31-I61 HydrophobicContact CG-CG1 4.21Å; R31-I61 HydrophobicContact CG-CG2 4.41Å; I34-I61 HydrophobicContact CB-CG2 4.45Å; I34-I61 HydrophobicContact CD1-CD1 3.56Å; I34-I61 HydrophobicContact CG2-CB 4.31Å; I34-I61 HydrophobicContact CG2-CG2 3.92Å; C57-I61 WeakPolarHBondContact O-CD1 3.39Å; C57-I61 WeakPolarHBondContact O-CG1 3.44Å; C57-I61 PolarHBondContact O-N 3.04Å; V58-I61 PolarHBondContact O-N 2.93Å; S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 3.09Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.42Å |
| 62 | L | 94.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | -179.7 | -67.7 | 177.1 | 0 | 0 | 0 | 112.5 | I34 V35 A38 P44 V58 S59 R64 Y65 Y66 | I34-L62 HydrophobicContact CG2-CD1 4.46Å; I34-L62 HydrophobicContact CG2-CD2 3.79Å; I34-L62 HydrophobicContact CG2-CG 3.87Å; V35-L62 HydrophobicContact CG2-CD2 4.16Å; A38-L62 HydrophobicContact CB-CD1 4.09Å; A38-L62 HydrophobicContact CB-CD2 3.54Å; A38-L62 HydrophobicContact CB-CG 4.49Å; P44-L62 HydrophobicContact CB-CD1 4.33Å; P44-L62 HydrophobicContact CG-CD1 4.04Å; V58-L62 HydrophobicContact CG1-CD1 3.93Å; V58-L62 HydrophobicContact CG1-CG 4.46Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 2.89Å; S59-L62 PolarHBondContact O-N 3.02Å; L62-R64 PolarHBondContact O-N 3.2Å; L62-Y65 WeakPolarHBondContact O-CB 3.34Å; L62-Y65 PolarHBondContact O-N 3.22Å; L62-Y65 VanDerWaalsContact O-N 3.1Å; L62-Y66 HydrophobicContact CB-CD2 4.45Å; L62-Y66 HydrophobicContact CB-CE2 4Å; L62-Y66 WeakPolarHBondContact O-CD2 3.34Å; L62-Y66 PolarHBondContact O-N 2.78Å |
| 63 | G | 92.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 65.5 Ų | 65.5 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.9 | -52.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S59 Y65 Y66 E67 | S59-G63 PolarHBondContact O-N 3.07Å; G63-Y65 PolarHBondContact O-N 3.48Å; G63-Y66 PolarHBondContact O-N 3.1Å; G63-Y66 VanDerWaalsContact O-N 3.14Å; G63-E67 WeakPolarHBondContact O-CB 3.35Å; G63-E67 VanDerWaalsContact O-CG 3.23Å; G63-E67 WeakPolarHBondContact O-CG 3.36Å; G63-E67 PolarHBondContact O-N 2.99Å |
| 64 | R | 91.4 | Very high | 90.7 | Very high | 75 Ų | 75 | 67.2 Ų | 67.2 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.4 | -27.9 | 174.3 | -87.3 | -82.6 | -78.6 | 88.8 | 15.5 | 114.4 | K60 L62 T68 S70 R72 | K60-R64 WeakPolarHBondContact O-CB 3.49Å; K60-R64 PolarHBondContact O-N 3.03Å; L62-R64 PolarHBondContact O-N 3.2Å; R64-T68 PolarHBondContact NH1-OG1 2.86Å; R64-T68 WeakPolarHBondContact O-CB 3.16Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 VanDerWaalsContact O-N 3.13Å; R64-T68 PolarHBondContact O-OG1 3.13Å; R64-T68 VanDerWaalsContact O-OG1 3.1Å; R64-S70 PolarHBondContact NH1-O 2.93Å; R64-S70 VanDerWaalsContact NH1-O 3.08Å; R64-R72 PolarHBondContact NH2-O 2.93Å |
| 65 | Y | 92.9 | Very high | 89.9 | Confident | 59 Ų | 59 | 71 Ų | 71 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -76 | -44.9 | 174.4 | -177.8 | -100.6 | 0 | 0 | 0 | 111.7 | V35 H39 I61 L62 G63 E67 G69 I71 | V35-Y65 HydrophobicContact CG1-CD1 3.85Å; V35-Y65 HydrophobicContact CG1-CD2 4.22Å; V35-Y65 HydrophobicContact CG1-CE1 3.6Å; V35-Y65 HydrophobicContact CG1-CE2 3.98Å; V35-Y65 HydrophobicContact CG1-CG 4.15Å; V35-Y65 HydrophobicContact CG2-CD1 4.09Å; V35-Y65 HydrophobicContact CG2-CD2 3.98Å; V35-Y65 HydrophobicContact CG2-CG 3.73Å; H39-Y65 AromaticContact CE1-CE1 3.54Å; H39-Y65 AromaticContact CE1-CZ 3.79Å; H39-Y65 PolarHBondContact CE1-OH 2.99Å; H39-Y65 AromaticContact NE2-CE1 3.43Å; H39-Y65 WeakPolarHBondContact NE2-CE1 3.45Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.42Å; L62-Y65 WeakPolarHBondContact O-CB 3.34Å; L62-Y65 PolarHBondContact O-N 3.22Å; L62-Y65 VanDerWaalsContact O-N 3.1Å; G63-Y65 PolarHBondContact O-N 3.48Å; Y65-E67 VanDerWaalsContact C-N 3.33Å; Y65-E67 PolarHBondContact O-N 2.87Å; Y65-G69 VanDerWaalsContact CE2-O 3.23Å; Y65-G69 WeakPolarHBondContact CE2-O 3.28Å; Y65-G69 WeakPolarHBondContact O-CA 3.45Å; Y65-G69 PolarHBondContact O-N 3.48Å; Y65-I71 HydrophobicContact CD2-CG2 3.53Å; Y65-I71 HydrophobicContact CE2-CG2 4.06Å; Y65-I71 HydrophobicContact CG-CG2 4.39Å |
| 66 | Y | 91.4 | Very high | 88.5 | Confident | 151 Ų | 151 | 72.3 Ų | 72.3 | 59% | 0.592 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.6 | -29.2 | 176.2 | -59.9 | -50.5 | 0 | 0 | 0 | 113 | L62 G63 | L62-Y66 HydrophobicContact CB-CD2 4.45Å; L62-Y66 HydrophobicContact CB-CE2 4Å; L62-Y66 WeakPolarHBondContact O-CD2 3.34Å; L62-Y66 PolarHBondContact O-N 2.78Å; G63-Y66 PolarHBondContact O-N 3.1Å; G63-Y66 VanDerWaalsContact O-N 3.14Å |
| 67 | E | 89.8 | Confident | 87 | Confident | 147 Ų | 147 | 73.1 Ų | 73.1 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -75.7 | -40.9 | 175 | -72 | 161.1 | -160.8 | 0 | 0 | 113.7 | G63 Y65 | G63-E67 WeakPolarHBondContact O-CB 3.35Å; G63-E67 VanDerWaalsContact O-CG 3.23Å; G63-E67 WeakPolarHBondContact O-CG 3.36Å; G63-E67 PolarHBondContact O-N 2.99Å; Y65-E67 VanDerWaalsContact C-N 3.33Å; Y65-E67 PolarHBondContact O-N 2.87Å |
| 68 | T | 88.7 | Confident | 85.8 | Confident | 86 Ų | 86 | 75 Ų | 75 | 53% | 0.528 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -123.6 | -7 | -166.4 | -29.2 | 0 | 0 | 0 | 0 | 114.2 | R64 S70 | R64-T68 PolarHBondContact NH1-OG1 2.86Å; R64-T68 WeakPolarHBondContact O-CB 3.16Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 VanDerWaalsContact O-N 3.13Å; R64-T68 PolarHBondContact O-OG1 3.13Å; R64-T68 VanDerWaalsContact O-OG1 3.1Å; T68-S70 PolarHBondContact O-N 3.15Å |
| 69 | G | 87.3 | Confident | 84.4 | Confident | 52 Ų | 52 | 80.4 Ų | 80.4 | 54% | 0.536 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 63.4 | 0.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y65 | Y65-G69 VanDerWaalsContact CE2-O 3.23Å; Y65-G69 WeakPolarHBondContact CE2-O 3.28Å; Y65-G69 WeakPolarHBondContact O-CA 3.45Å; Y65-G69 PolarHBondContact O-N 3.48Å |
| 70 | S | 85.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 86.3 Ų | 86.3 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | trans | -117.2 | 109.7 | -164.7 | -177 | 0 | 0 | 0 | 0 | 112.1 | R64 T68 R72 | R64-S70 PolarHBondContact NH1-O 2.93Å; R64-S70 VanDerWaalsContact NH1-O 3.08Å; T68-S70 PolarHBondContact O-N 3.15Å; S70-R72 PolarHBondContact O-N 2.9Å | ||
| 71 | I | 86.1 | Confident | 81.2 | Confident | 19 Ų | 19 | 83.9 Ų | 83.9 | 10% | 0.097 | 49% | 0.494 | C | S | . | . | trans | -72.3 | -14.3 | 175.7 | 66.7 | 145.6 | 0 | 0 | 0 | 113.8 | E28 R31 Q32 V35 Y65 | E28-I71 HydrophobicContact CG-CD1 4.32Å; E28-I71 WeakPolarHBondContact OE1-CD1 3.4Å; R31-I71 HydrophobicContact CB-CD1 4.09Å; R31-I71 PolarHBondContact NH1-O 3.45Å; Q32-I71 HydrophobicContact CB-CD1 4.34Å; Q32-I71 HydrophobicContact CG-CD1 3.5Å; V35-I71 HydrophobicContact CB-CG2 4.45Å; V35-I71 HydrophobicContact CG2-CG2 3.66Å; Y65-I71 HydrophobicContact CD2-CG2 3.53Å; Y65-I71 HydrophobicContact CE2-CG2 4.06Å; Y65-I71 HydrophobicContact CG-CG2 4.39Å | ||
| 72 | R | 85.7 | Confident | 79.7 | Confident | 146 Ų | 146 | 92.6 Ų | 92.6 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -59.1 | 140.4 | -177 | -70.4 | 175.7 | 68.7 | -171.1 | 2.3 | 109.2 | R64 S70 D145 | R64-R72 PolarHBondContact NH2-O 2.93Å; S70-R72 PolarHBondContact O-N 2.9Å; R72-D145 IonicContact NH1-OD1 3.25Å |
| 73 | P | 83.1 | Confident | 78.2 | Confident | 53 Ų | 53 | 97.9 Ų | 97.9 | 34% | 0.344 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -64 | 151.7 | 177.8 | 31.3 | -33.6 | 0 | 0 | 0 | 109.2 | P25 | P25-P73 HydrophobicContact CB-CB 3.61Å; P25-P73 HydrophobicContact CB-CG 4.01Å; P25-P73 HydrophobicContact CG-CB 4.16Å; P25-P73 HydrophobicContact CG-CG 4.1Å |
| 74 | G | 80.8 | Confident | 76.6 | Confident | 46 Ų | 46 | 98.8 Ų | 98.8 | 47% | 0.474 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 160.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I76 | G74-I76 VanDerWaalsContact C-N 3.34Å; G74-I76 PolarHBondContact O-N 3.1Å |
| 75 | V | 78.4 | Confident | 76 | Confident | 145 Ų | 145 | 99.7 Ų | 99.7 | 88% | 0.879 | 58% | 0.582 | S | S | * | * | trans | -68.1 | 93.6 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | G77 | V75-G77 PolarHBondContact O-N 3.32Š| ||
| 76 | I | 65.9 | Low | 75.4 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 66% | 0.656 | 60% | 0.604 | S | S | * | * | trans | -81.9 | 108.7 | 177.8 | -64.3 | 164.7 | 0 | 0 | 0 | 107.9 | P25 G74 | P25-I76 HydrophobicContact CB-CD1 4.38Å; G74-I76 VanDerWaalsContact C-N 3.34Å; G74-I76 PolarHBondContact O-N 3.1Å | ||
| 77 | G | 61.6 | Low | 75.1 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 68% | 0.68 | 60% | 0.603 | S | S | * | * | trans | 110.4 | 139.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V75 | V75-G77 PolarHBondContact O-N 3.32Š| ||
| 78 | G | 67.9 | Low | 75.1 | Confident | 77 Ų | 77 | 94.3 Ų | 94.3 | 79% | 0.794 | 57% | 0.573 | S | S | * | * | trans | 138.5 | 126.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 79 | S | 67.3 | Low | 75.1 | Confident | 112 Ų | 112 | 91.9 Ų | 91.9 | 78% | 0.783 | 56% | 0.557 | S | S | * | * | trans | -71.5 | 140.3 | 163 | 43.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 80 | K | 62.9 | Low | 75.2 | Confident | 194 Ų | 194 | 95.4 Ų | 95.4 | 84% | 0.843 | 56% | 0.56 | S | S | * | * | trans | -54.8 | 137.5 | 157.4 | -72.9 | -176.1 | 176.5 | -178.5 | 0 | 107.2 | K82 | K80-K82 PolarHBondContact O-N 3.1Š| ||
| 81 | P | 58 | Low | 75.6 | Confident | 107 Ų | 107 | 96.1 Ų | 96.1 | 70% | 0.695 | 56% | 0.558 | S | S | * | * | trans | -61.1 | 101.5 | -178.5 | 24.3 | -33.4 | 0 | 0 | 0 | 109.6 | V83 A84 | P81-V83 VanDerWaalsContact C-N 3.32Å; P81-V83 PolarHBondContact O-N 2.93Å; P81-A84 HydrophobicContact CB-CB 4.33Å | ||
| 82 | K | 63.3 | Low | 75.8 | Confident | 203 Ų | 203 | 95.2 Ų | 95.2 | 88% | 0.883 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -23.8 | -162.3 | -156 | -179.2 | -178.1 | -170.9 | 0 | 113.3 | K80 | K80-K82 PolarHBondContact O-N 3.1Š|
| 83 | V | 62.6 | Low | 76.1 | Confident | 123 Ų | 123 | 88.4 Ų | 88.4 | 75% | 0.745 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 74.4 | 178.9 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | P81 | P81-V83 VanDerWaalsContact C-N 3.32Å; P81-V83 PolarHBondContact O-N 2.93Å |
| 84 | A | 58.9 | Low | 76.6 | Confident | 44 Ų | 44 | 88.1 Ų | 88.1 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | trans | -160.8 | 79.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P81 V89 | P81-A84 HydrophobicContact CB-CB 4.33Å; A84-V89 HydrophobicContact CB-CG2 4.14Å | ||
| 85 | T | 77.9 | Confident | 77.2 | Confident | 93 Ų | 93 | 86 Ų | 86 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | trans | -58.1 | 126.3 | 165.6 | 24.8 | 0 | 0 | 0 | 0 | 108.9 | K87 V88 V89 | T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 PolarHBondContact O-N 2.83Å; T85-V88 WeakPolarHBondContact O-CB 3.23Å; T85-V88 PolarHBondContact O-N 3.4Å; T85-V88 WeakPolarHBondContact OG1-CG2 3.23Å; T85-V89 PolarHBondContact O-N 3.08Å | ||
| 86 | P | 81.2 | Confident | 77.9 | Confident | 106 Ų | 106 | 81.1 Ų | 81.1 | 69% | 0.688 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.9 | -35.2 | -169.2 | 20.1 | -31.4 | 0 | 0 | 0 | 113 | V88 V89 E90 | P86-V88 PolarHBondContact O-N 2.67Å; P86-V89 WeakPolarHBondContact O-CB 3.39Å; P86-V89 PolarHBondContact O-N 2.82Å; P86-V89 VanDerWaalsContact O-N 3.1Å; P86-E90 PolarHBondContact O-N 2.79Å |
| 87 | K | 84.6 | Confident | 79.1 | Confident | 130 Ų | 130 | 82.2 Ų | 82.2 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -52 | -36.6 | 172.3 | -173.6 | -175.3 | 179.1 | -169.2 | 0 | 113.6 | T85 K91 | T85-K87 VanDerWaalsContact C-N 3.27Å; T85-K87 PolarHBondContact O-N 2.83Å; K87-K91 WeakPolarHBondContact O-CB 3.43Å; K87-K91 PolarHBondContact O-N 3.37Å; K87-K91 VanDerWaalsContact O-N 3.09Å |
| 88 | V | 89.2 | Confident | 80.5 | Confident | 9 Ų | 9 | 84.3 Ų | 84.3 | 6% | 0.055 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -75.2 | -41.1 | 179.4 | -178 | 0 | 0 | 0 | 0 | 110.6 | T85 P86 E90 K91 I92 L111 V116 C117 P123 | T85-V88 WeakPolarHBondContact O-CB 3.23Å; T85-V88 PolarHBondContact O-N 3.4Å; T85-V88 WeakPolarHBondContact OG1-CG2 3.23Å; P86-V88 PolarHBondContact O-N 2.67Å; V88-E90 VanDerWaalsContact C-N 3.29Å; V88-E90 PolarHBondContact O-N 2.91Å; V88-K91 PolarHBondContact O-N 3.37Å; V88-I92 HydrophobicContact CG1-CD1 4.01Å; V88-I92 WeakPolarHBondContact O-CD1 3.32Å; V88-I92 VanDerWaalsContact O-CG1 3.23Å; V88-I92 WeakPolarHBondContact O-CG1 3.37Å; V88-I92 PolarHBondContact O-N 3.03Å; V88-L111 HydrophobicContact CG1-CD1 3.97Å; V88-L111 HydrophobicContact CG1-CD2 4.2Å; V88-V116 HydrophobicContact CG2-CG1 4.21Å; V88-C117 VanDerWaalsContact CG2-SG 3.52Å; V88-P123 HydrophobicContact CG1-CG 3.89Å |
| 89 | V | 89.7 | Confident | 81.5 | Confident | 34 Ų | 34 | 83.8 Ų | 83.8 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 111 | A84 T85 P86 G93 I131 K135 | A84-V89 HydrophobicContact CB-CG2 4.14Å; T85-V89 PolarHBondContact O-N 3.08Å; P86-V89 WeakPolarHBondContact O-CB 3.39Å; P86-V89 PolarHBondContact O-N 2.82Å; P86-V89 VanDerWaalsContact O-N 3.1Å; V89-G93 PolarHBondContact O-N 2.97Å; V89-I131 HydrophobicContact CG1-CG2 3.94Å; V89-I131 HydrophobicContact CG2-CD1 4.27Å; V89-K135 HydrophobicContact CG1-CB 4.45Å; V89-K135 HydrophobicContact CG1-CG 4.13Å |
| 90 | E | 89.9 | Confident | 82.6 | Confident | 126 Ų | 126 | 83.1 Ų | 83.1 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.5 | -52.9 | 175.5 | -176.8 | 166.5 | -132.5 | 0 | 0 | 112 | P86 V88 I92 G93 D94 | P86-E90 PolarHBondContact O-N 2.79Å; V88-E90 VanDerWaalsContact C-N 3.29Å; V88-E90 PolarHBondContact O-N 2.91Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 3.2Å; E90-G93 CarbonylContact O-C 3.49Å; E90-G93 VanDerWaalsContact O-CA 3.23Å; E90-G93 WeakPolarHBondContact O-CA 3.46Å; E90-G93 PolarHBondContact O-N 3.14Å; E90-D94 PolarHBondContact O-N 3.41Å |
| 91 | K | 91.5 | Very high | 84 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.3 | -37.6 | 177.1 | -82.7 | -74 | -158.9 | 164.2 | 0 | 113.9 | K87 V88 G93 D94 Y95 L111 E114 V116 | K87-K91 WeakPolarHBondContact O-CB 3.43Å; K87-K91 PolarHBondContact O-N 3.37Å; K87-K91 VanDerWaalsContact O-N 3.09Å; V88-K91 PolarHBondContact O-N 3.37Å; K91-G93 PolarHBondContact O-N 3.27Å; K91-D94 PolarHBondContact O-N 3.37Å; K91-Y95 HydrophobicContact CD-CE1 3.9Å; K91-Y95 PolarHBondContact O-N 3.48Å; K91-L111 HydrophobicContact CB-CD2 3.92Å; K91-E114 IonicContact NZ-OE2 3.57Å; K91-E114 PolarHBondContact NZ-OE2 3.44Å; K91-V116 HydrophobicContact CB-CG1 4.25Å; K91-V116 HydrophobicContact CD-CG2 4.43Å; K91-V116 HydrophobicContact CG-CG1 4.04Å; K91-V116 HydrophobicContact CG-CG2 4.21Å |
| 92 | I | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 170.9 | -71 | 163.9 | 0 | 0 | 0 | 110.7 | V88 E90 K96 I107 L111 P123 I128 I131 I132 | V88-I92 HydrophobicContact CG1-CD1 4.01Å; V88-I92 WeakPolarHBondContact O-CD1 3.32Å; V88-I92 VanDerWaalsContact O-CG1 3.23Å; V88-I92 WeakPolarHBondContact O-CG1 3.37Å; V88-I92 PolarHBondContact O-N 3.03Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 PolarHBondContact O-N 3.2Å; I92-K96 WeakPolarHBondContact O-CB 3.18Å; I92-K96 PolarHBondContact O-N 3.49Å; I92-I107 HydrophobicContact CB-CG2 4.36Å; I92-I107 HydrophobicContact CG1-CG2 3.85Å; I92-I107 HydrophobicContact CG2-CG2 4.28Å; I92-L111 HydrophobicContact CD1-CD1 4.14Å; I92-L111 HydrophobicContact CG1-CD1 3.85Å; I92-P123 HydrophobicContact CD1-CG 4.09Å; I92-I128 HydrophobicContact CD1-CG1 4.04Å; I92-I128 HydrophobicContact CG2-CG2 4.11Å; I92-I131 HydrophobicContact CB-CG2 4.19Å; I92-I131 HydrophobicContact CD1-CD1 3.71Å; I92-I131 HydrophobicContact CD1-CG2 4.27Å; I92-I131 HydrophobicContact CG2-CB 4.37Å; I92-I131 HydrophobicContact CG2-CG2 3.73Å; I92-I132 HydrophobicContact CG2-CG1 3.88Å |
| 93 | G | 92.2 | Very high | 87.2 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V89 E90 K91 K96 R97 | V89-G93 PolarHBondContact O-N 2.97Å; E90-G93 CarbonylContact O-C 3.49Å; E90-G93 VanDerWaalsContact O-CA 3.23Å; E90-G93 WeakPolarHBondContact O-CA 3.46Å; E90-G93 PolarHBondContact O-N 3.14Å; K91-G93 PolarHBondContact O-N 3.27Å; G93-K96 PolarHBondContact O-N 3.37Å; G93-R97 WeakPolarHBondContact O-CB 3.42Å; G93-R97 VanDerWaalsContact O-CG 3.28Å; G93-R97 WeakPolarHBondContact O-CG 3.35Å; G93-R97 PolarHBondContact O-N 2.96Å |
| 94 | D | 92.6 | Very high | 88.7 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -52.8 | 178.2 | -71.6 | -45.5 | 0 | 0 | 0 | 112.8 | E90 K91 K96 R97 Q98 | E90-D94 PolarHBondContact O-N 3.41Å; K91-D94 PolarHBondContact O-N 3.37Å; D94-K96 VanDerWaalsContact C-N 3.26Å; D94-K96 PolarHBondContact O-N 2.93Å; D94-R97 PolarHBondContact O-N 3.44Å; D94-R97 VanDerWaalsContact O-N 3.16Å; D94-R97 IonicContact OD1-CZ 2.63Å; D94-R97 IonicContact OD1-NE 3.91Å; D94-R97 IonicContact OD1-NH2 2.85Å; D94-R97 PolarHBondContact OD1-NH2 3.39Å; D94-R97 IonicContact OD2-NH2 3.25Å; D94-Q98 WeakPolarHBondContact O-CB 3.35Å; D94-Q98 VanDerWaalsContact O-CG 3.23Å; D94-Q98 WeakPolarHBondContact O-CG 3.46Å; D94-Q98 PolarHBondContact O-N 2.79Å |
| 95 | Y | 93.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61 | -38.3 | -178.2 | -55.3 | -22.9 | 0 | 0 | 0 | 111.5 | K91 Q98 N99 I107 R110 L111 E114 | K91-Y95 HydrophobicContact CD-CE1 3.9Å; K91-Y95 PolarHBondContact O-N 3.48Å; Y95-Q98 PolarHBondContact O-N 3.23Å; Y95-N99 PolarHBondContact O-N 3.06Å; Y95-I107 HydrophobicContact CD2-CG2 4.26Å; Y95-R110 HydrophobicContact CD2-CB 4.22Å; Y95-R110 HydrophobicContact CD2-CG 4.1Å; Y95-R110 HydrophobicContact CE1-CG 4.3Å; Y95-R110 HydrophobicContact CE2-CB 3.98Å; Y95-R110 HydrophobicContact CE2-CG 3.72Å; Y95-L111 HydrophobicContact CE2-CD2 3.92Å; Y95-L111 HydrophobicContact CE2-CG 4.04Å; Y95-E114 WeakPolarHBondContact CE1-OE1 3.37Å; Y95-E114 PolarHBondContact OH-OE1 3.03Å; Y95-E114 PolarHBondContact OH-OE2 2.88Å |
| 96 | K | 92.4 | Very high | 91.2 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 18% | 0.183 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.6 | -22.5 | 179.4 | -165.7 | 57.1 | 165.7 | 178.2 | 0 | 113.7 | I92 G93 D94 N99 P100 M102 I107 I132 V136 | I92-K96 WeakPolarHBondContact O-CB 3.18Å; I92-K96 PolarHBondContact O-N 3.49Å; G93-K96 PolarHBondContact O-N 3.37Å; D94-K96 VanDerWaalsContact C-N 3.26Å; D94-K96 PolarHBondContact O-N 2.93Å; K96-N99 CarbonylContact O-C 3.57Å; K96-P100 WeakPolarHBondContact CE-O 3.48Å; K96-P100 PolarHBondContact NZ-O 3.23Å; K96-P100 WeakPolarHBondContact O-CA 3.08Å; K96-M102 PolarHBondContact NZ-O 3.22Å; K96-I107 HydrophobicContact CB-CD1 4.12Å; K96-I107 HydrophobicContact CD-CD1 4.19Å; K96-I132 HydrophobicContact CD-CD1 4.4Å; K96-I132 HydrophobicContact CG-CD1 4.28Å; K96-I132 HydrophobicContact CG-CG1 4.23Å; K96-I132 HydrophobicContact CG-CG2 4.08Å; K96-V136 HydrophobicContact CB-CG1 4.27Å; K96-V136 HydrophobicContact CG-CG1 4.29Å |
| 97 | R | 91.3 | Very high | 91.8 | Very high | 152 Ų | 152 | 63.9 Ų | 63.9 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -73.3 | -44.9 | 166.3 | -79.9 | -174.6 | -69.2 | -107.2 | 7.3 | 111.5 | G93 D94 | G93-R97 WeakPolarHBondContact O-CB 3.42Å; G93-R97 VanDerWaalsContact O-CG 3.28Å; G93-R97 WeakPolarHBondContact O-CG 3.35Å; G93-R97 PolarHBondContact O-N 2.96Å; D94-R97 PolarHBondContact O-N 3.44Å; D94-R97 VanDerWaalsContact O-N 3.16Å; D94-R97 IonicContact OD1-CZ 2.63Å; D94-R97 IonicContact OD1-NE 3.91Å; D94-R97 IonicContact OD1-NH2 2.85Å; D94-R97 PolarHBondContact OD1-NH2 3.39Å; D94-R97 IonicContact OD2-NH2 3.25Å |
| 98 | Q | 92.8 | Very high | 92.2 | Very high | 109 Ų | 109 | 61.9 Ų | 61.9 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 178.3 | -70 | 166.5 | 17.7 | 0 | 0 | 111.6 | D94 Y95 | D94-Q98 WeakPolarHBondContact O-CB 3.35Å; D94-Q98 VanDerWaalsContact O-CG 3.23Å; D94-Q98 WeakPolarHBondContact O-CG 3.46Å; D94-Q98 PolarHBondContact O-N 2.79Å; Y95-Q98 PolarHBondContact O-N 3.23Å |
| 99 | N | 88.7 | Confident | 92.4 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 35% | 0.353 | 31% | 0.307 | S | S | . | . | trans | -135.2 | 90.6 | -177.3 | -68.5 | -83.7 | 0 | 0 | 0 | 110 | Y95 K96 T101 M102 | Y95-N99 PolarHBondContact O-N 3.06Å; K96-N99 CarbonylContact O-C 3.57Å; N99-T101 PolarHBondContact O-N 3.29Å; N99-M102 HydrophobicContact CB-CB 3.86Å; N99-M102 HydrophobicContact CB-CE 4.03Å; N99-M102 VanDerWaalsContact O-CB 3.25Å; N99-M102 WeakPolarHBondContact O-CB 3.37Å; N99-M102 PolarHBondContact O-N 3.12Å | ||
| 100 | P | 90.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 66.4 Ų | 66.4 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.6 | -178.9 | 26.6 | -34.8 | 0 | 0 | 0 | 113.2 | K96 | K96-P100 WeakPolarHBondContact CE-O 3.48Å; K96-P100 PolarHBondContact NZ-O 3.23Å; K96-P100 WeakPolarHBondContact O-CA 3.08Å |
| 101 | T | 92.4 | Very high | 92.7 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -29 | 170.4 | 45 | 0 | 0 | 0 | 0 | 113.3 | N99 F103 | N99-T101 PolarHBondContact O-N 3.29Å; T101-F103 PolarHBondContact O-N 2.85Å |
| 102 | M | 92.4 | Very high | 92.7 | Very high | 25 Ų | 25 | 60 Ų | 60 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | trans | -59.2 | 128.1 | -167.9 | -170.6 | -179.4 | -79.6 | 0 | 0 | 113 | K96 N99 E106 I107 | K96-M102 PolarHBondContact NZ-O 3.22Å; N99-M102 HydrophobicContact CB-CB 3.86Å; N99-M102 HydrophobicContact CB-CE 4.03Å; N99-M102 VanDerWaalsContact O-CB 3.25Å; N99-M102 WeakPolarHBondContact O-CB 3.37Å; N99-M102 PolarHBondContact O-N 3.12Å; M102-E106 VanDerWaalsContact CA-OE2 3.24Å; M102-E106 WeakPolarHBondContact CA-OE2 3.28Å; M102-E106 HydrophobicContact CG-CB 3.66Å; M102-E106 VanDerWaalsContact CG-OE2 3.25Å; M102-E106 WeakPolarHBondContact CG-OE2 3.24Å; M102-E106 HydrophobicContact SD-CB 4.41Å; M102-I107 HydrophobicContact CG-CD1 4.48Å; M102-I107 HydrophobicContact CG-CG1 3.89Å; M102-I107 HydrophobicContact SD-CG1 3.66Å | ||
| 103 | F | 94.5 | Very high | 92.8 | Very high | 126 Ų | 126 | 64.3 Ų | 64.3 | 55% | 0.553 | 32% | 0.32 | S | S | * | . | trans | -76.6 | 157.9 | -177.9 | -66.3 | -76.5 | 0 | 0 | 0 | 112.4 | T101 W105 E106 I107 | T101-F103 PolarHBondContact O-N 2.85Å; F103-W105 HydrophobicContact CB-CG 4.34Å; F103-W105 AromaticContact CG-NE1 3.84Å; F103-W105 PolarHBondContact O-N 2.88Å; F103-E106 HydrophobicContact CB-CG 4.26Å; F103-E106 PolarHBondContact N-OE2 3.13Å; F103-E106 PolarHBondContact O-N 3.46Å; F103-I107 WeakPolarHBondContact O-CG1 3.5Å; F103-I107 PolarHBondContact O-N 3.01Å | ||
| 104 | A | 94.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 68 Ų | 68 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.3 | -15.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R108 V125 I128 N129 | A104-R108 PolarHBondContact O-N 2.85Å; A104-V125 HydrophobicContact CB-CG1 3.72Å; A104-I128 HydrophobicContact CB-CB 4.19Å; A104-I128 HydrophobicContact CB-CG2 3.75Å; A104-I128 WeakPolarHBondContact O-CD1 3.44Å; A104-N129 WeakPolarHBondContact CB-ND2 3.49Å |
| 105 | W | 94.8 | Very high | 92.4 | Very high | 134 Ų | 134 | 68.7 Ų | 68.7 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -82 | -43.5 | 170.8 | 66.7 | -95 | 0 | 0 | 0 | 111.1 | F103 I107 R108 D109 V125 | F103-W105 HydrophobicContact CB-CG 4.34Å; F103-W105 AromaticContact CG-NE1 3.84Å; F103-W105 PolarHBondContact O-N 2.88Å; W105-I107 PolarHBondContact O-N 2.76Å; W105-R108 WeakPolarHBondContact O-CA 3.49Å; W105-R108 VanDerWaalsContact O-CB 3.28Å; W105-R108 WeakPolarHBondContact O-CB 3.48Å; W105-R108 PolarHBondContact O-N 3.4Å; W105-D109 VanDerWaalsContact O-CG 3.27Å; W105-D109 PolarHBondContact O-N 3.37Å; W105-V125 HydrophobicContact CB-CG2 4.34Å |
| 106 | E | 95.2 | Very high | 92 | Very high | 61 Ų | 61 | 69.6 Ų | 69.6 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 172.1 | -60.7 | 169.5 | 158.9 | 0 | 0 | 111.4 | M102 F103 D109 R110 | M102-E106 VanDerWaalsContact CA-OE2 3.24Å; M102-E106 WeakPolarHBondContact CA-OE2 3.28Å; M102-E106 HydrophobicContact CG-CB 3.66Å; M102-E106 VanDerWaalsContact CG-OE2 3.25Å; M102-E106 WeakPolarHBondContact CG-OE2 3.24Å; M102-E106 HydrophobicContact SD-CB 4.41Å; F103-E106 HydrophobicContact CB-CG 4.26Å; F103-E106 PolarHBondContact N-OE2 3.13Å; F103-E106 PolarHBondContact O-N 3.46Å; E106-D109 PolarHBondContact O-N 3Å; E106-R110 VanDerWaalsContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CB 3.4Å; E106-R110 PolarHBondContact O-N 2.86Å |
| 107 | I | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 173.5 | -71.5 | 169.1 | 0 | 0 | 0 | 111.8 | I92 Y95 K96 M102 F103 W105 L111 I128 I132 | I92-I107 HydrophobicContact CB-CG2 4.36Å; I92-I107 HydrophobicContact CG1-CG2 3.85Å; I92-I107 HydrophobicContact CG2-CG2 4.28Å; Y95-I107 HydrophobicContact CD2-CG2 4.26Å; K96-I107 HydrophobicContact CB-CD1 4.12Å; K96-I107 HydrophobicContact CD-CD1 4.19Å; M102-I107 HydrophobicContact CG-CD1 4.48Å; M102-I107 HydrophobicContact CG-CG1 3.89Å; M102-I107 HydrophobicContact SD-CG1 3.66Å; F103-I107 WeakPolarHBondContact O-CG1 3.5Å; F103-I107 PolarHBondContact O-N 3.01Å; W105-I107 PolarHBondContact O-N 2.76Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 VanDerWaalsContact O-CG 3.26Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.09Å; I107-I128 HydrophobicContact CB-CG2 4.16Å; I107-I128 HydrophobicContact CG2-CD1 4.36Å; I107-I128 HydrophobicContact CG2-CG2 3.67Å; I107-I132 HydrophobicContact CD1-CD1 3.82Å |
| 108 | R | 93.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 174.8 | -175.9 | -161.5 | 62.6 | -176 | -7.4 | 110.3 | A104 W105 R110 L111 L112 V122 I128 | A104-R108 PolarHBondContact O-N 2.85Å; W105-R108 WeakPolarHBondContact O-CA 3.49Å; W105-R108 VanDerWaalsContact O-CB 3.28Å; W105-R108 WeakPolarHBondContact O-CB 3.48Å; W105-R108 PolarHBondContact O-N 3.4Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 3.11Å; R108-L111 WeakPolarHBondContact O-CB 3.45Å; R108-L111 PolarHBondContact O-N 3.34Å; R108-L112 PolarHBondContact O-N 2.96Å; R108-L112 VanDerWaalsContact O-N 3.16Å; R108-V122 HydrophobicContact CG-CG1 4.24Å; R108-V122 HydrophobicContact CG-CG2 3.63Å; R108-I128 HydrophobicContact CB-CD1 3.64Å; R108-I128 HydrophobicContact CG-CD1 4.3Å |
| 109 | D | 94 | Very high | 91.2 | Very high | 57 Ų | 57 | 67.3 Ų | 67.3 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.6 | -31.8 | -173.1 | -60 | -12 | 0 | 0 | 0 | 110.7 | W105 E106 L112 A113 | W105-D109 VanDerWaalsContact O-CG 3.27Å; W105-D109 PolarHBondContact O-N 3.37Å; E106-D109 PolarHBondContact O-N 3Å; D109-L112 PolarHBondContact O-N 2.8Å; D109-A113 WeakPolarHBondContact O-CB 3.4Å; D109-A113 PolarHBondContact O-N 3.26Å |
| 110 | R | 93.4 | Very high | 91 | Very high | 80 Ų | 80 | 72.1 Ų | 72.1 | 30% | 0.302 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72 | -30.5 | 169.9 | -169 | 172.5 | 176 | 168.4 | -2.6 | 114 | Y95 E106 R108 L112 A113 E114 | Y95-R110 HydrophobicContact CD2-CB 4.22Å; Y95-R110 HydrophobicContact CD2-CG 4.1Å; Y95-R110 HydrophobicContact CE1-CG 4.3Å; Y95-R110 HydrophobicContact CE2-CB 3.98Å; Y95-R110 HydrophobicContact CE2-CG 3.72Å; E106-R110 VanDerWaalsContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CB 3.4Å; E106-R110 PolarHBondContact O-N 2.86Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 3.11Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-A113 PolarHBondContact O-N 3.35Å; R110-E114 HydrophobicContact CG-CG 4.36Å; R110-E114 IonicContact CZ-OE1 3.99Å; R110-E114 VanDerWaalsContact CZ-OE1 3.25Å; R110-E114 IonicContact NE-OE1 3.65Å; R110-E114 PolarHBondContact NE-OE1 3.5Å; R110-E114 IonicContact NH2-OE1 2.68Å; R110-E114 PolarHBondContact NH2-OE1 2.98Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 PolarHBondContact O-N 3.44Å |
| 111 | L | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 171.1 | -75.5 | 168.3 | 0 | 0 | 0 | 111.8 | V88 K91 I92 Y95 I107 R108 V116 C117 V122 P123 | V88-L111 HydrophobicContact CG1-CD1 3.97Å; V88-L111 HydrophobicContact CG1-CD2 4.2Å; K91-L111 HydrophobicContact CB-CD2 3.92Å; I92-L111 HydrophobicContact CD1-CD1 4.14Å; I92-L111 HydrophobicContact CG1-CD1 3.85Å; Y95-L111 HydrophobicContact CE2-CD2 3.92Å; Y95-L111 HydrophobicContact CE2-CG 4.04Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 VanDerWaalsContact O-CG 3.26Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.09Å; R108-L111 WeakPolarHBondContact O-CB 3.45Å; R108-L111 PolarHBondContact O-N 3.34Å; L111-V116 HydrophobicContact CD2-CB 3.83Å; L111-V116 HydrophobicContact CD2-CG1 3.63Å; L111-V116 HydrophobicContact CD2-CG2 4.46Å; L111-V116 PolarHBondContact O-N 3.21Å; L111-C117 PolarHBondContact O-N 3.07Å; L111-V122 HydrophobicContact CB-CG2 4.33Å; L111-P123 HydrophobicContact CD1-CG 4.13Å |
| 112 | L | 92.2 | Very high | 90.5 | Very high | 51 Ų | 51 | 66.7 Ų | 66.7 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.5 | -48.7 | 172.6 | -64.6 | 166.8 | 0 | 0 | 0 | 110.6 | R108 D109 R110 E114 G115 V122 | R108-L112 PolarHBondContact O-N 2.96Å; R108-L112 VanDerWaalsContact O-N 3.16Å; D109-L112 PolarHBondContact O-N 2.8Å; R110-L112 VanDerWaalsContact C-N 3.33Å; L112-E114 PolarHBondContact O-N 3.32Å; L112-G115 PolarHBondContact O-N 3.47Å; L112-V122 HydrophobicContact CD2-CB 4.02Å; L112-V122 HydrophobicContact CD2-CG1 4.27Å; L112-V122 HydrophobicContact CD2-CG2 4.17Å; L112-V122 HydrophobicContact CG-CG2 4.14Å |
| 113 | A | 92.8 | Very high | 90.3 | Very high | 90 Ų | 90 | 66.3 Ų | 66.3 | 74% | 0.744 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.4 | -35 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D109 R110 G115 | D109-A113 WeakPolarHBondContact O-CB 3.4Å; D109-A113 PolarHBondContact O-N 3.26Å; R110-A113 PolarHBondContact O-N 3.35Å; A113-G115 VanDerWaalsContact C-N 3.26Å; A113-G115 PolarHBondContact O-N 3.44Å |
| 114 | E | 90.1 | Very high | 90.1 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.2 | 173.5 | -69.5 | -169.5 | -150.9 | 0 | 0 | 113.3 | K91 Y95 R110 L112 V116 | K91-E114 IonicContact NZ-OE2 3.57Å; K91-E114 PolarHBondContact NZ-OE2 3.44Å; Y95-E114 WeakPolarHBondContact CE1-OE1 3.37Å; Y95-E114 PolarHBondContact OH-OE1 3.03Å; Y95-E114 PolarHBondContact OH-OE2 2.88Å; R110-E114 HydrophobicContact CG-CG 4.36Å; R110-E114 IonicContact CZ-OE1 3.99Å; R110-E114 VanDerWaalsContact CZ-OE1 3.25Å; R110-E114 IonicContact NE-OE1 3.65Å; R110-E114 PolarHBondContact NE-OE1 3.5Å; R110-E114 IonicContact NH2-OE1 2.68Å; R110-E114 PolarHBondContact NH2-OE1 2.98Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 PolarHBondContact O-N 3.44Å; L112-E114 PolarHBondContact O-N 3.32Å; E114-V116 HydrophobicContact CB-CG2 3.88Å; E114-V116 PolarHBondContact O-N 3.47Å |
| 115 | G | 86.4 | Confident | 90.1 | Very high | 62 Ų | 62 | 65.4 Ų | 65.4 | 64% | 0.639 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 28.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L112 A113 | L112-G115 PolarHBondContact O-N 3.47Å; A113-G115 VanDerWaalsContact C-N 3.26Å; A113-G115 PolarHBondContact O-N 3.44Å |
| 116 | V | 85.8 | Confident | 90 | Very high | 20 Ų | 20 | 63.5 Ų | 63.5 | 12% | 0.121 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -85.2 | -28.1 | -178.1 | -178 | 0 | 0 | 0 | 0 | 111.1 | V88 K91 L111 E114 | V88-V116 HydrophobicContact CG2-CG1 4.21Å; K91-V116 HydrophobicContact CB-CG1 4.25Å; K91-V116 HydrophobicContact CD-CG2 4.43Å; K91-V116 HydrophobicContact CG-CG1 4.04Å; K91-V116 HydrophobicContact CG-CG2 4.21Å; L111-V116 HydrophobicContact CD2-CB 3.83Å; L111-V116 HydrophobicContact CD2-CG1 3.63Å; L111-V116 HydrophobicContact CD2-CG2 4.46Å; L111-V116 PolarHBondContact O-N 3.21Å; E114-V116 HydrophobicContact CB-CG2 3.88Å; E114-V116 PolarHBondContact O-N 3.47Å |
| 117 | C | 85.6 | Confident | 89.7 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -137.3 | 141.3 | 172.6 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | V88 L111 T121 V122 | V88-C117 VanDerWaalsContact CG2-SG 3.52Å; L111-C117 PolarHBondContact O-N 3.07Å; C117-T121 WeakPolarHBondContact CA-OG1 3.33Å; C117-T121 WeakPolarHBondContact CB-OG1 3.31Å; C117-V122 HydrophobicContact CB-CB 3.84Å; C117-V122 HydrophobicContact CB-CG2 3.95Å |
| 118 | D | 87.2 | Confident | 89.6 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | trans | -76.8 | 164.6 | 159.6 | -49.1 | -73.6 | 0 | 0 | 0 | 111.1 | D120 T121 V122 | D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 3.1Å; D118-T121 HydrophobicContact CB-CG2 4.31Å; D118-T121 PolarHBondContact N-OG1 3.39Å; D118-T121 PolarHBondContact O-N 2.98Å; D118-T121 PolarHBondContact O-OG1 3.26Å; D118-V122 PolarHBondContact O-N 3.29Å | ||
| 119 | N | 86.7 | Confident | 89.6 | Confident | 128 Ų | 128 | 61.5 Ų | 61.5 | 68% | 0.684 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -42.1 | -178.5 | -95.3 | -76.9 | 0 | 0 | 0 | 113.8 | T121 V122 | N119-T121 VanDerWaalsContact C-N 3.28Å; N119-T121 PolarHBondContact O-N 3.24Å; N119-V122 WeakPolarHBondContact O-CG1 3.49Å |
| 120 | D | 83.3 | Confident | 89.4 | Confident | 168 Ų | 168 | 67.9 Ų | 67.9 | 90% | 0.898 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.6 | 179.2 | -58.6 | -73.3 | 0 | 0 | 0 | 114 | D118 | D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 3.1Å |
| 121 | T | 85.1 | Confident | 89.2 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -13.7 | -178 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | C117 D118 N119 | C117-T121 WeakPolarHBondContact CA-OG1 3.33Å; C117-T121 WeakPolarHBondContact CB-OG1 3.31Å; D118-T121 HydrophobicContact CB-CG2 4.31Å; D118-T121 PolarHBondContact N-OG1 3.39Å; D118-T121 PolarHBondContact O-N 2.98Å; D118-T121 PolarHBondContact O-OG1 3.26Å; N119-T121 VanDerWaalsContact C-N 3.28Å; N119-T121 PolarHBondContact O-N 3.24Å |
| 122 | V | 87.4 | Confident | 89.1 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -68.9 | 127.9 | -174.2 | 79.2 | 0 | 0 | 0 | 0 | 110.8 | R108 L111 L112 C117 D118 N119 | R108-V122 HydrophobicContact CG-CG1 4.24Å; R108-V122 HydrophobicContact CG-CG2 3.63Å; L111-V122 HydrophobicContact CB-CG2 4.33Å; L112-V122 HydrophobicContact CD2-CB 4.02Å; L112-V122 HydrophobicContact CD2-CG1 4.27Å; L112-V122 HydrophobicContact CD2-CG2 4.17Å; L112-V122 HydrophobicContact CG-CG2 4.14Å; C117-V122 HydrophobicContact CB-CB 3.84Å; C117-V122 HydrophobicContact CB-CG2 3.95Å; D118-V122 PolarHBondContact O-N 3.29Å; N119-V122 WeakPolarHBondContact O-CG1 3.49Å |
| 123 | P | 88.6 | Confident | 88.9 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 10% | 0.104 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -67 | 139.3 | 179.9 | 25.4 | -33.3 | 0 | 0 | 0 | 111 | V88 I92 L111 I128 | V88-P123 HydrophobicContact CG1-CG 3.89Å; I92-P123 HydrophobicContact CD1-CG 4.09Å; L111-P123 HydrophobicContact CD1-CG 4.13Å; P123-I128 HydrophobicContact CB-CG1 4.11Å; P123-I128 HydrophobicContact CG-CD1 4.22Å; P123-I128 HydrophobicContact CG-CG1 3.81Å; P123-I128 WeakPolarHBondContact O-CD1 3.31Å |
| 124 | S | 91.1 | Very high | 88.4 | Confident | 68 Ų | 68 | 71 Ų | 71 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 152.8 | 176.5 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | S126 S127 I128 | S124-S126 PolarHBondContact O-N 3.2Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S127 CarbonylContact O-C 3.59Å; S124-S127 WeakPolarHBondContact O-CA 3.31Å; S124-S127 VanDerWaalsContact O-CB 3.28Å; S124-S127 WeakPolarHBondContact O-CB 3.43Å; S124-S127 PolarHBondContact O-N 3.23Å; S124-S127 PolarHBondContact OG-OG 2.94Å; S124-I128 PolarHBondContact O-N 2.68Å |
| 125 | V | 92.7 | Very high | 87.8 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 29% | 0.291 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.3 | -34.8 | -177.7 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | A104 W105 N129 | A104-V125 HydrophobicContact CB-CG1 3.72Å; W105-V125 HydrophobicContact CB-CG2 4.34Å; V125-N129 PolarHBondContact O-N 3.13Å; V125-N129 PolarHBondContact O-ND2 3.05Å |
| 126 | S | 92.3 | Very high | 87 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68 | -36.7 | 173.2 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | S124 R130 | S124-S126 PolarHBondContact O-N 3.2Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S126-R130 PolarHBondContact O-N 2.86Å |
| 127 | S | 89.4 | Confident | 85.9 | Confident | 52 Ų | 52 | 78 Ų | 78 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 175.2 | -56 | 0 | 0 | 0 | 0 | 111.5 | S124 R130 I131 | S124-S127 CarbonylContact O-C 3.59Å; S124-S127 WeakPolarHBondContact O-CA 3.31Å; S124-S127 VanDerWaalsContact O-CB 3.28Å; S124-S127 WeakPolarHBondContact O-CB 3.43Å; S124-S127 PolarHBondContact O-N 3.23Å; S124-S127 PolarHBondContact OG-OG 2.94Å; S127-R130 WeakPolarHBondContact O-CB 3.3Å; S127-R130 PolarHBondContact O-N 2.89Å; S127-I131 WeakPolarHBondContact O-CG1 3.45Å; S127-I131 PolarHBondContact O-N 2.95Å |
| 128 | I | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 173.2 | -65.4 | 169.3 | 0 | 0 | 0 | 110.3 | I92 A104 I107 R108 P123 S124 R130 I131 I132 | I92-I128 HydrophobicContact CD1-CG1 4.04Å; I92-I128 HydrophobicContact CG2-CG2 4.11Å; A104-I128 HydrophobicContact CB-CB 4.19Å; A104-I128 HydrophobicContact CB-CG2 3.75Å; A104-I128 WeakPolarHBondContact O-CD1 3.44Å; I107-I128 HydrophobicContact CB-CG2 4.16Å; I107-I128 HydrophobicContact CG2-CD1 4.36Å; I107-I128 HydrophobicContact CG2-CG2 3.67Å; R108-I128 HydrophobicContact CB-CD1 3.64Å; R108-I128 HydrophobicContact CG-CD1 4.3Å; P123-I128 HydrophobicContact CB-CG1 4.11Å; P123-I128 HydrophobicContact CG-CD1 4.22Å; P123-I128 HydrophobicContact CG-CG1 3.81Å; P123-I128 WeakPolarHBondContact O-CD1 3.31Å; S124-I128 PolarHBondContact O-N 2.68Å; I128-R130 VanDerWaalsContact C-N 3.32Å; I128-R130 PolarHBondContact O-N 3.03Å; I128-I131 WeakPolarHBondContact O-CB 3.3Å; I128-I131 PolarHBondContact O-N 3.26Å; I128-I131 VanDerWaalsContact O-N 3.15Å; I128-I132 HydrophobicContact CG2-CD1 3.91Å; I128-I132 HydrophobicContact CG2-CG1 4.49Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 3Å |
| 129 | N | 93.5 | Very high | 82.5 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 174.7 | -86.3 | -69.2 | 0 | 0 | 0 | 113.1 | A104 V125 I132 R133 | A104-N129 WeakPolarHBondContact CB-ND2 3.49Å; V125-N129 PolarHBondContact O-N 3.13Å; V125-N129 PolarHBondContact O-ND2 3.05Å; N129-I132 PolarHBondContact O-N 3.34Å; N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.25Å; N129-R133 VanDerWaalsContact O-N 3.12Å |
| 130 | R | 89.8 | Confident | 80.3 | Confident | 190 Ų | 190 | 83.7 Ų | 83.7 | 72% | 0.717 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 174.5 | -173.8 | 177.7 | -178.9 | 171.1 | 1.6 | 111.4 | S126 S127 I128 R133 T134 | S126-R130 PolarHBondContact O-N 2.86Å; S127-R130 WeakPolarHBondContact O-CB 3.3Å; S127-R130 PolarHBondContact O-N 2.89Å; I128-R130 VanDerWaalsContact C-N 3.32Å; I128-R130 PolarHBondContact O-N 3.03Å; R130-R133 PolarHBondContact O-N 2.86Å; R130-T134 WeakPolarHBondContact O-CB 3.32Å; R130-T134 PolarHBondContact O-N 3.2Å; R130-T134 PolarHBondContact O-OG1 3.47Å; R130-T134 VanDerWaalsContact O-OG1 3.09Å |
| 131 | I | 89.8 | Confident | 78.2 | Confident | 29 Ų | 29 | 82 Ų | 82 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 175.9 | -70.6 | 162.8 | 0 | 0 | 0 | 110.6 | V89 I92 S127 I128 R133 T134 K135 | V89-I131 HydrophobicContact CG1-CG2 3.94Å; V89-I131 HydrophobicContact CG2-CD1 4.27Å; I92-I131 HydrophobicContact CB-CG2 4.19Å; I92-I131 HydrophobicContact CD1-CD1 3.71Å; I92-I131 HydrophobicContact CD1-CG2 4.27Å; I92-I131 HydrophobicContact CG2-CB 4.37Å; I92-I131 HydrophobicContact CG2-CG2 3.73Å; S127-I131 WeakPolarHBondContact O-CG1 3.45Å; S127-I131 PolarHBondContact O-N 2.95Å; I128-I131 WeakPolarHBondContact O-CB 3.3Å; I128-I131 PolarHBondContact O-N 3.26Å; I128-I131 VanDerWaalsContact O-N 3.15Å; I131-R133 PolarHBondContact O-N 3.34Å; I131-T134 PolarHBondContact O-N 3.47Å; I131-K135 HydrophobicContact CG2-CB 4.43Å; I131-K135 WeakPolarHBondContact O-CA 3.39Å; I131-K135 WeakPolarHBondContact O-CB 3.44Å; I131-K135 PolarHBondContact O-N 3.2Å |
| 132 | I | 89.9 | Confident | 76 | Confident | 8 Ų | 8 | 85.5 Ų | 85.5 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | I | π-helix | trans | -55 | -50.9 | 177.8 | -68.4 | 165.8 | 0 | 0 | 0 | 110.8 | I92 K96 I107 I128 N129 T134 V136 Q137 | I92-I132 HydrophobicContact CG2-CG1 3.88Å; K96-I132 HydrophobicContact CD-CD1 4.4Å; K96-I132 HydrophobicContact CG-CD1 4.28Å; K96-I132 HydrophobicContact CG-CG1 4.23Å; K96-I132 HydrophobicContact CG-CG2 4.08Å; I107-I132 HydrophobicContact CD1-CD1 3.82Å; I128-I132 HydrophobicContact CG2-CD1 3.91Å; I128-I132 HydrophobicContact CG2-CG1 4.49Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 3Å; N129-I132 PolarHBondContact O-N 3.34Å; I132-T134 PolarHBondContact O-N 2.84Å; I132-V136 HydrophobicContact CG2-CB 4.48Å; I132-V136 WeakPolarHBondContact O-CA 3.48Å; I132-V136 WeakPolarHBondContact O-CB 3.38Å; I132-V136 PolarHBondContact O-N 3.1Å; I132-Q137 HydrophobicContact CG2-CG 4.43Å; I132-Q137 PolarHBondContact O-N 3.06Å |
| 133 | R | 87.8 | Confident | 73.7 | Confident | 163 Ų | 163 | 89.5 Ų | 89.5 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | I | π-helix | trans | -66.2 | -34.7 | -179.2 | -67 | 173.4 | -169.9 | 178.2 | 3.2 | 113.5 | N129 R130 I131 Q138 | N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.25Å; N129-R133 VanDerWaalsContact O-N 3.12Å; R130-R133 PolarHBondContact O-N 2.86Å; I131-R133 PolarHBondContact O-N 3.34Å; R133-Q138 WeakPolarHBondContact O-CG 3.29Å |
| 134 | T | 82.3 | Confident | 71.4 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | I | π-helix | trans | -95.2 | -18.8 | -174.3 | -55.4 | 0 | 0 | 0 | 0 | 114.3 | R130 I131 I132 | R130-T134 WeakPolarHBondContact O-CB 3.32Å; R130-T134 PolarHBondContact O-N 3.2Å; R130-T134 PolarHBondContact O-OG1 3.47Å; R130-T134 VanDerWaalsContact O-OG1 3.09Å; I131-T134 PolarHBondContact O-N 3.47Å; I132-T134 PolarHBondContact O-N 2.84Å |
| 135 | K | 76.4 | Confident | 68.9 | Low | 145 Ų | 145 | 99.5 Ų | 99.5 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | I | π-helix | trans | -129.8 | -16.3 | -173.9 | -69.5 | -66.1 | -169.6 | 175.3 | 0 | 115.6 | V89 I131 | V89-K135 HydrophobicContact CG1-CB 4.45Å; V89-K135 HydrophobicContact CG1-CG 4.13Å; I131-K135 HydrophobicContact CG2-CB 4.43Å; I131-K135 WeakPolarHBondContact O-CA 3.39Å; I131-K135 WeakPolarHBondContact O-CB 3.44Å; I131-K135 PolarHBondContact O-N 3.2Å |
| 136 | V | 70.4 | Confident | 66 | Low | 33 Ų | 33 | 103.1 Ų | 103.1 | 20% | 0.2 | 54% | 0.535 | C | S | . | . | I | π-helix | trans | -113.2 | -43 | -176.7 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | K96 I132 Q138 | K96-V136 HydrophobicContact CB-CG1 4.27Å; K96-V136 HydrophobicContact CG-CG1 4.29Å; I132-V136 HydrophobicContact CG2-CB 4.48Å; I132-V136 WeakPolarHBondContact O-CA 3.48Å; I132-V136 WeakPolarHBondContact O-CB 3.38Å; I132-V136 PolarHBondContact O-N 3.1Å; V136-Q138 VanDerWaalsContact C-N 3.29Å |
| 137 | Q | 62.7 | Low | 63.1 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -86.4 | 3.5 | 173.1 | -68.5 | 179.8 | -49.5 | 0 | 0 | 113.7 | I132 P139 | I132-Q137 HydrophobicContact CG2-CG 4.43Å; I132-Q137 PolarHBondContact O-N 3.06Å; Q137-P139 VanDerWaalsContact C-CD 3.45Å; Q137-P139 VanDerWaalsContact O-CD 3.31Å; Q137-P139 WeakPolarHBondContact O-CD 3.27Å |
| 138 | Q | 52.4 | Low | 60.6 | Low | 99 Ų | 99 | 108 Ų | 108 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | trans | -115.9 | 78.6 | 174.6 | -76.8 | -73.3 | -35.3 | 0 | 0 | 109.2 | R133 V136 F140 N141 | R133-Q138 WeakPolarHBondContact O-CG 3.29Å; V136-Q138 VanDerWaalsContact C-N 3.29Å; Q138-F140 PolarHBondContact O-N 3.4Å; Q138-F140 VanDerWaalsContact O-N 3.12Å; Q138-N141 PolarHBondContact OE1-ND2 2.61Å | ||
| 139 | P | 48.8 | Very low | 58 | Low | 99 Ų | 99 | 112.4 Ų | 112.4 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | trans | -65.7 | 111.4 | 170.6 | 28.6 | -32.9 | 0 | 0 | 0 | 108.6 | Q137 | Q137-P139 VanDerWaalsContact C-CD 3.45Å; Q137-P139 VanDerWaalsContact O-CD 3.31Å; Q137-P139 WeakPolarHBondContact O-CD 3.27Å | ||
| 140 | F | 41.3 | Very low | 55.1 | Low | 177 Ų | 177 | 115.7 Ų | 115.7 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | trans | 51.8 | 89.3 | 169 | -45.9 | -78.1 | 0 | 0 | 0 | 115.5 | Q138 L142 | Q138-F140 PolarHBondContact O-N 3.4Å; Q138-F140 VanDerWaalsContact O-N 3.12Å; F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 HydrophobicContact CB-CD1 4.09Å; F140-L142 WeakPolarHBondContact O-CD1 3.31Å; F140-L142 PolarHBondContact O-N 3.01Å | ||
| 141 | N | 38.5 | Very low | 52.7 | Low | 132 Ų | 132 | 116.6 Ų | 116.6 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -66.8 | 100.2 | 148.3 | -82.2 | -129.4 | 0 | 0 | 0 | 106.9 | Q138 | Q138-N141 PolarHBondContact OE1-ND2 2.61Š| ||
| 142 | L | 38.4 | Very low | 50.1 | Low | 139 Ų | 139 | 119.6 Ų | 119.6 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | trans | -59.3 | 148.2 | 170.4 | -81.4 | 74 | 0 | 0 | 0 | 109.4 | F140 M144 | F140-L142 VanDerWaalsContact C-N 3.32Å; F140-L142 HydrophobicContact CB-CD1 4.09Å; F140-L142 WeakPolarHBondContact O-CD1 3.31Å; F140-L142 PolarHBondContact O-N 3.01Å; L142-M144 PolarHBondContact O-N 3.25Å; L142-M144 VanDerWaalsContact O-N 3.1Å | ||
| 143 | P | 39.3 | Very low | 47.5 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | trans | -61.4 | 112.3 | 162.8 | -15.7 | 30.1 | 0 | 0 | 0 | 108.8 | D145 | P143-D145 PolarHBondContact O-N 3.28Š| ||
| 144 | M | 41.6 | Very low | 44.9 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 88% | 0.877 | 70% | 0.7 | S | S | * | * | trans | -80.2 | 67.7 | 176.5 | -173.1 | 66.6 | -174.9 | 0 | 0 | 110 | L142 | L142-M144 PolarHBondContact O-N 3.25Å; L142-M144 VanDerWaalsContact O-N 3.1Å | ||
| 145 | D | 37.5 | Very low | 43 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | trans | -127.3 | 130.9 | 174 | -78.9 | -67 | 0 | 0 | 0 | 109.3 | R72 P143 | R72-D145 IonicContact NH1-OD1 3.25Å; P143-D145 PolarHBondContact O-N 3.28Å | ||
| 146 | S | 31.3 | Very low | 40.9 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | 71.7 | 83.9 | 175 | -165.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 147 | C | 31.3 | Very low | 39.3 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | -139.4 | 139.8 | 121.5 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 148 | V | 37.4 | Very low | 38.1 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -112.5 | 140.6 | 176 | -77.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 149 | A | 37.1 | Very low | 37.2 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | 64.5 | 150.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 150 | T | 34.1 | Very low | 36.6 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | cis | -124.2 | 158.5 | 12.5 | 50 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 151 | K | 38.9 | Very low | 36.5 | Very low | 210 Ų | 210 | 132.9 Ų | 132.9 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -85.7 | 109.4 | 156.9 | -76.8 | 179.7 | 175.7 | 178.9 | 0 | 108.8 | ||||
| 152 | S | 33.9 | Very low | 36.2 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 179.2 | 138.1 | 146.1 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 153 | L | 36.3 | Very low | 35.9 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 48.5 | 111.4 | 142 | -59.7 | 167 | 0 | 0 | 0 | 119.1 | ||||
| 154 | S | 33.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -61.3 | 138.5 | 143.3 | -177 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 155 | P | 42.6 | Very low | 35.1 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -139.5 | 149.7 | 103.3 | 36.4 | -23.9 | 0 | 0 | 0 | 113.4 | |||||
| 156 | G | 31.8 | Very low | 35 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | -102.7 | 153.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 157 | H | 36 | Very low | 35.6 | Very low | 191 Ų | 191 | 129 Ų | 129 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | -154.8 | 141.7 | 155.4 | -129.1 | -84.6 | 0 | 0 | 0 | 112.1 | ||||
| 158 | T | 37.3 | Very low | 36.2 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -85.9 | 146.5 | 177.4 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 159 | L | 33.8 | Very low | 35.8 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -83.3 | 112.5 | 179 | -66.4 | 167.7 | 0 | 0 | 0 | 112.3 | ||||
| 160 | I | 36.3 | Very low | 35.7 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | -141.8 | 134.7 | 155.9 | -62.3 | -173.7 | 0 | 0 | 0 | 107.6 | ||||
| 161 | P | 38.7 | Very low | 36.1 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -88.6 | 139.9 | -172.8 | 33.5 | -35 | 0 | 0 | 0 | 115.3 | ||||
| 162 | S | 33.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 27.6 | 120.5 | 147.4 | -54.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 163 | S | 32.2 | Very low | 36 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -162.3 | 154.3 | 106.8 | -81.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 164 | A | 31.5 | Very low | 35.8 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -74.8 | 148.9 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 165 | V | 31.8 | Very low | 36 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | -178 | 157.1 | 116.7 | 148.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 166 | T | 36.6 | Very low | 36.1 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -82.5 | 157.4 | -174.7 | 41.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 167 | P | 42.7 | Very low | 36.5 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -91.6 | 172.6 | -174.2 | 43.9 | -41.2 | 0 | 0 | 0 | 112.2 | ||||
| 168 | P | 44.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | -147.6 | 178.9 | 75.8 | 41.6 | -23.2 | 0 | 0 | 0 | 117.2 | |||||
| 169 | E | 27.6 | Very low | 37.4 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | 84.8 | 138.1 | 152.9 | -145.3 | 157.7 | 126.8 | 0 | 0 | 120.4 | ||||
| 170 | S | 35.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -103.5 | 161.5 | -179.6 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 171 | P | 43 | Very low | 39.3 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -136.4 | 178.8 | 116.6 | 36.7 | -26.2 | 0 | 0 | 0 | 114.5 | |||||
| 172 | Q | 38.3 | Very low | 40.1 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -80.7 | 160.1 | -171.3 | -59.3 | 157.1 | -99.1 | 0 | 0 | 113.7 | ||||
| 173 | S | 31.7 | Very low | 41.5 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -158 | 102.9 | 149.4 | -78.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 174 | D | 32.7 | Very low | 42.8 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -71.9 | 146.7 | 160.6 | -68.5 | -80.6 | 0 | 0 | 0 | 110.2 | ||||
| 175 | S | 38.8 | Very low | 44 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 154.7 | 79.8 | 140.7 | -72.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 176 | L | 43.7 | Very low | 44.9 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 95% | 0.948 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -145 | 136.7 | 149.3 | -85.5 | -170.5 | 0 | 0 | 0 | 112 | ||
| 177 | G | 41.2 | Very low | 45.5 | Very low | 60 Ų | 60 | 124.9 Ų | 124.9 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | trans | -36.6 | 130.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 119 | T179 | G177-T179 PolarHBondContact O-N 3.49Å; G177-T179 PolarHBondContact O-OG1 2.87Å; G177-T179 VanDerWaalsContact O-OG1 3.12Å | ||
| 178 | S | 43.6 | Very low | 45.6 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | -77 | 70.9 | 165.1 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | Y180 | S178-Y180 PolarHBondContact O-N 2.89Š| ||
| 179 | T | 48.8 | Very low | 45.6 | Very low | 132 Ų | 132 | 123.9 Ų | 123.9 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 27.9 | -167.6 | -35.6 | 0 | 0 | 0 | 0 | 114.4 | G177 | G177-T179 PolarHBondContact O-N 3.49Å; G177-T179 PolarHBondContact O-OG1 2.87Å; G177-T179 VanDerWaalsContact O-OG1 3.12Å |
| 180 | Y | 49.7 | Very low | 46.2 | Very low | 211 Ų | 211 | 122.7 Ų | 122.7 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.8 | 17.6 | 178.9 | 59.2 | -92.5 | 0 | 0 | 0 | 115.1 | S178 | S178-Y180 PolarHBondContact O-N 2.89Š|
| 181 | S | 59.4 | Low | 46.6 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 48% | 0.476 | 74% | 0.74 | S | S | . | * | trans | -81.6 | 128.5 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 112 | N183 G184 | S181-N183 PolarHBondContact O-N 2.71Å; S181-N183 VanDerWaalsContact O-N 3.1Å; S181-G184 PolarHBondContact O-N 3.43Å | ||
| 182 | I | 56.2 | Low | 46.1 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 65% | 0.651 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -54.4 | -31.9 | -176.1 | -83.2 | 172.2 | 0 | 0 | 0 | 113.2 | G184 L185 | I182-G184 PolarHBondContact O-N 2.79Å; I182-L185 PolarHBondContact O-N 3.04Å |
| 183 | N | 61.3 | Low | 45.7 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -60.8 | -28.6 | -179.5 | -64.7 | 40.6 | 0 | 0 | 0 | 112.8 | S181 L185 | S181-N183 PolarHBondContact O-N 2.71Å; S181-N183 VanDerWaalsContact O-N 3.1Å; N183-L185 VanDerWaalsContact C-N 3.31Å; N183-L185 PolarHBondContact O-N 3.09Å |
| 184 | G | 60.7 | Low | 45.8 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -73.4 | -19.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S181 I182 | S181-G184 PolarHBondContact O-N 3.43Å; I182-G184 PolarHBondContact O-N 2.79Å |
| 185 | L | 55.8 | Low | 45.9 | Very low | 149 Ų | 149 | 117.9 Ų | 117.9 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -16.7 | -176.7 | -96.5 | 159.7 | 0 | 0 | 0 | 114.1 | I182 N183 | I182-L185 PolarHBondContact O-N 3.04Å; N183-L185 VanDerWaalsContact C-N 3.31Å; N183-L185 PolarHBondContact O-N 3.09Å |
| 186 | L | 51.2 | Low | 45.8 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 65% | 0.654 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -106.7 | -3 | -178.3 | -102.7 | 67.8 | 0 | 0 | 0 | 114.4 | I188 | L186-I188 HydrophobicContact CB-CG1 4.35Å; L186-I188 WeakPolarHBondContact O-CG1 3.47Å; L186-I188 PolarHBondContact O-N 3.49Å; L186-I188 VanDerWaalsContact O-N 3.12Å |
| 187 | G | 49 | Very low | 45.4 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 67.2 | 10.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | A189 | G187-A189 PolarHBondContact O-N 3.03Å; G187-A189 VanDerWaalsContact O-N 3.15Å | ||
| 188 | I | 45.8 | Very low | 45.4 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -84.4 | 91.8 | -176.5 | -47 | 179.4 | 0 | 0 | 0 | 110 | L186 | L186-I188 HydrophobicContact CB-CG1 4.35Å; L186-I188 WeakPolarHBondContact O-CG1 3.47Å; L186-I188 PolarHBondContact O-N 3.49Å; L186-I188 VanDerWaalsContact O-N 3.12Å | ||
| 189 | A | 44.2 | Very low | 45 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -65.6 | 142.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G187 | G187-A189 PolarHBondContact O-N 3.03Å; G187-A189 VanDerWaalsContact O-N 3.15Å | ||
| 190 | Q | 39.1 | Very low | 44.3 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -132.2 | 143.5 | 168.1 | -77.7 | -63.5 | -65.7 | 0 | 0 | 109.5 | ||||
| 191 | P | 45.6 | Very low | 43.9 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -99.4 | 155.4 | -162.4 | 37.7 | -36.1 | 0 | 0 | 0 | 115.1 | ||||
| 192 | G | 31 | Very low | 42.9 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 117.6 | 148.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 193 | S | 31.5 | Very low | 42.3 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | cis | -161.3 | 172.5 | -12.5 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 194 | D | 33.1 | Very low | 40.9 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 58% | 0.583 | 75% | 0.748 | S | S | * | * | trans | 75.9 | 107.1 | 154.5 | -71.3 | -75.6 | 0 | 0 | 0 | 123.4 | ||||
| 195 | K | 33.5 | Very low | 39.6 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | 72.4 | 97.1 | 119.8 | -71.3 | 179 | 179.8 | 116.7 | 0 | 121.7 | |||||
| 196 | R | 37.6 | Very low | 38.6 | Very low | 226 Ų | 226 | 134 Ų | 134 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | 159.3 | 165.5 | 89.9 | -95.1 | 166.7 | -59.6 | 168.8 | 4.3 | 115.3 | |||||
| 197 | K | 35.1 | Very low | 38 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | 71.1 | 132 | 178.4 | -70.7 | -166.9 | 167.6 | -164.4 | 0 | 114.5 | ||||
| 198 | M | 41.2 | Very low | 37.4 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | cis | 93.9 | 139.6 | 29.3 | -165.7 | 81.8 | 172.5 | 0 | 0 | 112.1 | ||||
| 199 | D | 34.4 | Very low | 36.9 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 69.6 | 150.3 | -166.6 | -84.3 | -145.5 | 0 | 0 | 0 | 115.8 | ||||
| 200 | D | 36.1 | Very low | 36.6 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -167.5 | 173.3 | -36.1 | -170.9 | -118.2 | 0 | 0 | 0 | 108.9 | ||||
| 201 | S | 39.3 | Very low | 36.2 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | 75.4 | 118.7 | 155.8 | -77.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 202 | D | 39.3 | Very low | 35.8 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -70.1 | 156.3 | 166 | -43.5 | -105.8 | 0 | 0 | 0 | 113 | ||||
| 203 | Q | 43.4 | Very low | 36 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | -173.7 | 142.5 | 111.1 | -104.5 | 154.9 | 88.4 | 0 | 0 | 116.2 | |||||
| 204 | D | 33.1 | Very low | 35.9 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 20.7 | 124.2 | 145.7 | -79.2 | -89.7 | 0 | 0 | 0 | 123.9 | ||||
| 205 | S | 33.3 | Very low | 36 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | 53 | 118.6 | 113.4 | -162 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 206 | C | 34.9 | Very low | 36.1 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | -153.8 | 140.5 | 117.4 | -124.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 207 | R | 37.2 | Very low | 35.9 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -92 | 142.7 | 169.5 | -71 | 176.1 | 165 | -173.3 | -4.8 | 110.1 | ||||
| 208 | L | 36.8 | Very low | 35.9 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 133.1 | 141.5 | -78.9 | -176.3 | 0 | 0 | 0 | 109.9 | ||||
| 209 | S | 36.3 | Very low | 36.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -98.3 | 147.7 | 168.8 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 210 | I | 36.3 | Very low | 36.5 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | trans | -139 | 140.1 | 143.9 | -164.4 | 61.2 | 0 | 0 | 0 | 109 | ||||
| 211 | D | 31.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 55% | 0.545 | 80% | 0.797 | S | S | . | * | trans | -107.9 | 153.5 | -169.7 | -159.8 | -64 | 0 | 0 | 0 | 110.1 | Q213 | D211-Q213 VanDerWaalsContact CG-NE2 3.32Å; D211-Q213 WeakPolarHBondContact OD1-CG 3.38Å; D211-Q213 PolarHBondContact OD1-N 3.32Å; D211-Q213 VanDerWaalsContact OD1-N 3.15Å; D211-Q213 PolarHBondContact OD1-NE2 2.93Å; D211-Q213 PolarHBondContact OD2-NE2 3.32Å; D211-Q213 VanDerWaalsContact OD2-NE2 3.13Å | ||
| 212 | S | 36.2 | Very low | 36.7 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -161 | 68 | 170 | -78.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 213 | Q | 36.9 | Very low | 36.4 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -68 | 137.4 | 170.7 | -75.9 | 159.5 | 72.5 | 0 | 0 | 113.7 | D211 | D211-Q213 VanDerWaalsContact CG-NE2 3.32Å; D211-Q213 WeakPolarHBondContact OD1-CG 3.38Å; D211-Q213 PolarHBondContact OD1-N 3.32Å; D211-Q213 VanDerWaalsContact OD1-N 3.15Å; D211-Q213 PolarHBondContact OD1-NE2 2.93Å; D211-Q213 PolarHBondContact OD2-NE2 3.32Å; D211-Q213 VanDerWaalsContact OD2-NE2 3.13Å | ||
| 214 | S | 28.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | 163.5 | 109 | 127.4 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 215 | S | 35.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | cis | 93.3 | 94.7 | 36.6 | 83.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 216 | S | 36.4 | Very low | 35.6 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -137.1 | 133.1 | 149.9 | 58.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 217 | S | 32.8 | Very low | 35.5 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -91.7 | 170.2 | 179.7 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 218 | G | 35.3 | Very low | 35 | Very low | 68 Ų | 68 | 142.6 Ų | 142.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -174.1 | -166 | 9.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 219 | P | 52.4 | Low | 34.6 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -119.3 | 158.8 | -152.1 | 41 | -33.7 | 0 | 0 | 0 | 119 | ||||
| 220 | R | 34.4 | Very low | 34.2 | Very low | 235 Ų | 235 | 140.1 Ų | 140.1 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | -169.2 | 142.2 | 150.3 | -111 | 152.1 | -78.7 | -170.8 | -4.3 | 108 | ||||
| 221 | K | 43 | Very low | 33.9 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | cis | 75.9 | 95.7 | 32.8 | -72.5 | -160.6 | 174.9 | -173.8 | 0 | 116.7 | ||||
| 222 | H | 37.1 | Very low | 34 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 71.9 | 132.4 | 135.7 | -106.5 | -102.8 | 0 | 0 | 0 | 123.1 | ||||
| 223 | L | 32.3 | Very low | 34 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 104.9 | 132.3 | 132.6 | -160.3 | 68.8 | 0 | 0 | 0 | 121.5 | ||||
| 224 | R | 31.4 | Very low | 33.7 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | 65.1 | 127.5 | 162.6 | -85.5 | 178.6 | 163.9 | 161.8 | -5 | 119.4 | ||||
| 225 | T | 32.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 77.2 | 139.1 | 61.5 | -42.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 226 | D | 29.5 | Very low | 33.9 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 80.3 | 149.7 | 170.8 | -56.8 | -56.1 | 0 | 0 | 0 | 119.4 | ||||
| 227 | A | 33.5 | Very low | 33.5 | Very low | 68 Ų | 68 | 150 Ų | 150 | 56% | 0.562 | 77% | 0.774 | S | S | * | * | cis | -170.6 | 144.3 | -34.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 228 | F | 27.3 | Very low | 33.5 | Very low | 203 Ų | 203 | 150.1 Ų | 150.1 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | 61.2 | 160 | 168.6 | -64.1 | -78 | 0 | 0 | 0 | 117.9 | ||||
| 229 | S | 28.2 | Very low | 33.8 | Very low | 92 Ų | 92 | 151.8 Ų | 151.8 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -152.2 | 138.6 | 8 | -145.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 230 | Q | 27.7 | Very low | 32.6 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | 56.6 | 143.3 | 136.3 | -140.5 | 171.9 | -55.2 | 0 | 0 | 124.4 | ||||
| 231 | H | 29.6 | Very low | 32.6 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 72.7 | 147 | 176.4 | -56.3 | -81.2 | 0 | 0 | 0 | 115.7 | ||||
| 232 | H | 34.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 154 Ų | 154 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | cis | -150.4 | 140 | 21.4 | -163.9 | -137.8 | 0 | 0 | 0 | 113.5 | ||||
| 233 | L | 35.8 | Very low | 31.4 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | 62.9 | 118.9 | 164.8 | -61.5 | 175.5 | 0 | 0 | 0 | 121.6 | ||||
| 234 | E | 30 | Very low | 31.3 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -127.4 | 147.9 | 158.9 | -136.8 | -100.7 | 115.9 | 0 | 0 | 107.2 | L236 | E234-L236 PolarHBondContact O-N 2.92Š| ||
| 235 | P | 38.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 154 Ų | 154 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -90.7 | 105.3 | -162.9 | -7.8 | 28 | 0 | 0 | 0 | 115.6 | ||||
| 236 | L | 30.1 | Very low | 31.9 | Very low | 172 Ų | 172 | 154.6 Ų | 154.6 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | 38.3 | 91.2 | 139.7 | -57.2 | 176.7 | 0 | 0 | 0 | 119.5 | E234 | E234-L236 PolarHBondContact O-N 2.92Š| ||
| 237 | E | 28.1 | Very low | 32 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -131.3 | 109.6 | 144.3 | -84.8 | -136.1 | 111.1 | 0 | 0 | 111.5 | ||||
| 238 | C | 31.7 | Very low | 31.9 | Very low | 130 Ų | 130 | 156 Ų | 156 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -177.6 | 163.3 | 169.2 | -106.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 239 | P | 42.8 | Very low | 32.2 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -132 | 170 | -9 | 40.3 | -26.1 | 0 | 0 | 0 | 114 | ||||
| 240 | F | 26.8 | Very low | 32.3 | Very low | 217 Ų | 217 | 157.1 Ų | 157.1 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | trans | -151 | 110.7 | 134.4 | -133.2 | -84.9 | 0 | 0 | 0 | 110.8 | ||||
| 241 | E | 33.6 | Very low | 32.4 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | -142.3 | 135.1 | -178 | -171.2 | -141.4 | 120.5 | 0 | 0 | 109 | ||||
| 242 | R | 29.6 | Very low | 32.9 | Very low | 211 Ų | 211 | 153.7 Ų | 153.7 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 168.6 | 142.9 | 162 | -100.1 | -168.4 | 177.2 | 72.5 | 1.5 | 109 | ||||
| 243 | Q | 26.6 | Very low | 32.6 | Very low | 167 Ų | 167 | 151 Ų | 151 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | cis | -140.1 | 166.4 | -0.2 | -63.6 | -151.9 | -110.9 | 0 | 0 | 112.5 | ||||
| 244 | H | 29.6 | Very low | 32.5 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | -92.3 | 149 | 164.9 | -98.9 | -122.8 | 0 | 0 | 0 | 112.7 | ||||
| 245 | Y | 31.5 | Very low | 32.5 | Very low | 192 Ų | 192 | 149 Ų | 149 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 38.1 | 144.1 | 138.4 | -95.6 | -99.7 | 0 | 0 | 0 | 121.8 | ||||
| 246 | P | 43.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | -140.8 | 167.6 | 86.7 | 39.6 | -26 | 0 | 0 | 0 | 116.5 | |||||
| 247 | E | 32.8 | Very low | 32.1 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -92.9 | 150.8 | 173.8 | -177.8 | -177 | 140.2 | 0 | 0 | 110.8 | Y249 | E247-Y249 WeakPolarHBondContact OE1-CE2 3.13Š| ||
| 248 | A | 31.6 | Very low | 32.2 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -146.2 | 130.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 249 | Y | 33.7 | Very low | 32.2 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -84.8 | 139.5 | 175.5 | -84.1 | -118 | 0 | 0 | 0 | 111.9 | E247 | E247-Y249 WeakPolarHBondContact OE1-CE2 3.13Š| ||
| 250 | A | 28.9 | Very low | 31.6 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -156.9 | 132.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 251 | S | 30.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -136.2 | 147 | 162.3 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 252 | P | 40.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -137.1 | 180 | 131.1 | 32.8 | -17.4 | 0 | 0 | 0 | 113.9 | ||||
| 253 | S | 27.9 | Very low | 32.5 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -99 | -164.8 | -161.6 | 50 | 0 | 0 | 0 | 0 | 115 | ||||
| 254 | H | 33.5 | Very low | 33.1 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 97.6 | 134.7 | 170.9 | -64.2 | -94.4 | 0 | 0 | 0 | 116.9 | ||||
| 255 | T | 30.6 | Very low | 33.9 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | cis | -159 | 145.7 | -13 | 2.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 256 | K | 30.8 | Very low | 34.3 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 21.7 | 135.8 | 139.1 | -164.6 | -171.8 | -179.6 | -147.3 | 0 | 122.5 | E258 | K256-E258 WeakPolarHBondContact CE-OE2 3.4Å; K256-E258 IonicContact NZ-OE2 2.69Å; K256-E258 PolarHBondContact NZ-OE2 2.99Å | ||
| 257 | G | 30.2 | Very low | 34 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 161.2 | 85.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 258 | E | 30.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 57% | 0.565 | 79% | 0.786 | S | S | * | * | 68 | 106.6 | 91.5 | -61.8 | -152.6 | 75.1 | 0 | 0 | 115.6 | K256 | K256-E258 WeakPolarHBondContact CE-OE2 3.4Å; K256-E258 IonicContact NZ-OE2 2.69Å; K256-E258 PolarHBondContact NZ-OE2 2.99Å | |||
| 259 | Q | 30.4 | Very low | 33.8 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | 82.7 | 129.7 | 96.8 | -67.6 | -153.7 | 74 | 0 | 0 | 115.5 | |||||
| 260 | G | 29.9 | Very low | 33.6 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 155.8 | 67.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 261 | L | 30.3 | Very low | 34.1 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | 52 | 161.2 | 137 | -61.3 | 168.1 | 0 | 0 | 0 | 124.9 | ||||
| 262 | Y | 31.6 | Very low | 34.4 | Very low | 216 Ų | 216 | 136.8 Ų | 136.8 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -76.1 | -175.3 | -178 | -59.6 | -87.4 | 0 | 0 | 0 | 114.6 | ||||
| 263 | P | 46.6 | Very low | 34.3 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -139.8 | -171 | 5.9 | 41.6 | -20.4 | 0 | 0 | 0 | 117.8 | ||||
| 264 | L | 40.5 | Very low | 34.6 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -70.8 | 169.5 | 166.5 | -69 | 171.4 | 0 | 0 | 0 | 113.2 | ||||
| 265 | P | 45.9 | Very low | 34.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | -133.1 | 169.2 | 117.8 | 38.6 | -31.4 | 0 | 0 | 0 | 114.9 | |||||
| 266 | L | 40.7 | Very low | 34.8 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -93.4 | 163.8 | 179.7 | -54.4 | 98.3 | 0 | 0 | 0 | 113 | ||||
| 267 | L | 35.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | trans | -138 | 158.1 | 145.8 | -97.5 | 175.8 | 0 | 0 | 0 | 110.6 | ||||
| 268 | N | 31.9 | Very low | 35 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -146.9 | 132.6 | -163.5 | 167.1 | 76.3 | 0 | 0 | 0 | 112.1 | ||||
| 269 | S | 28.7 | Very low | 35.1 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -159.7 | 174.2 | 166.9 | -70.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 270 | T | 29.8 | Very low | 36.4 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | -164.3 | 173.1 | -93.5 | 30.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 271 | L | 38.5 | Very low | 36.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 74.5 | 127.6 | -179.8 | -76.8 | 63.9 | 0 | 0 | 0 | 114.8 | ||||
| 272 | D | 36.9 | Very low | 36.7 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | 83.7 | 148.2 | 48 | 122.3 | -81.3 | 0 | 0 | 0 | 114.1 | ||||
| 273 | D | 39 | Very low | 36.9 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | cis | -160 | -174.9 | -32.9 | -155.7 | -82.1 | 0 | 0 | 0 | 107.5 | ||||
| 274 | G | 33.9 | Very low | 37.2 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 135.2 | 63.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 275 | K | 35.3 | Very low | 37.2 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 69.4 | 100.4 | 84 | -172.5 | -168.5 | 173 | -177.7 | 0 | 115.8 | |||||
| 276 | A | 34.2 | Very low | 36.5 | Very low | 105 Ų | 105 | 128 Ų | 128 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -152.1 | 93.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 277 | T | 32.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -75.2 | 155.8 | 168.5 | 0.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 278 | L | 32.5 | Very low | 36.3 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | -156.8 | 171.4 | 59.1 | -78.3 | 168.2 | 0 | 0 | 0 | 113.3 | |||||
| 279 | T | 32.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | -115 | -156.2 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 280 | P | 57 | Low | 36.6 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -139.9 | -167.4 | -11.5 | 39.7 | -19.2 | 0 | 0 | 0 | 116.1 | ||||
| 281 | S | 35 | Very low | 36.6 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 87.7 | 147.3 | 149.3 | 81.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 282 | N | 30.9 | Very low | 36.3 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | cis | -142.8 | 168.8 | 8 | -125.7 | -17.8 | 0 | 0 | 0 | 114 | ||||
| 283 | T | 36.7 | Very low | 36 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | -104.2 | -159.5 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 284 | P | 52 | Low | 35.4 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | cis | -149.5 | -179.6 | 8.6 | 46.2 | -25.5 | 0 | 0 | 0 | 120.5 | ||||
| 285 | L | 41 | Very low | 35.2 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | trans | 65.2 | 140.4 | 155.5 | -71.5 | 154.2 | 0 | 0 | 0 | 119.1 | ||||
| 286 | G | 31.8 | Very low | 35.5 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | cis | 175.8 | -170.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 287 | R | 38.4 | Very low | 35.5 | Very low | 218 Ų | 218 | 133.3 Ų | 133.3 | 82% | 0.823 | 75% | 0.746 | S | S | * | * | cis | -172.1 | 115.7 | -9.1 | 176.4 | -172.1 | -180 | -163.5 | 1 | 111.7 | ||||
| 288 | N | 33 | Very low | 35.4 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 70.5 | 162.5 | 161.6 | -80 | -105.2 | 0 | 0 | 0 | 118.7 | ||||
| 289 | L | 34.3 | Very low | 35.7 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | cis | -144.2 | 164.8 | 16.9 | -168.6 | 57 | 0 | 0 | 0 | 114.6 | ||||
| 290 | S | 32.4 | Very low | 35.8 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -31.2 | 161.5 | 171.1 | -139.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 291 | T | 30.3 | Very low | 34.7 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | -171.5 | 149.5 | 53.8 | -36.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 292 | H | 32.5 | Very low | 34.5 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 118.4 | 150.8 | -103.1 | -133.5 | 0 | 0 | 0 | 125.5 | ||||
| 293 | Q | 29.9 | Very low | 34.9 | Very low | 145 Ų | 145 | 140 Ų | 140 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | 66.1 | 104.1 | 126.6 | -76.8 | -141.6 | 41.2 | 0 | 0 | 126.1 | |||||
| 294 | T | 27.8 | Very low | 35.1 | Very low | 84 Ų | 84 | 140 Ų | 140 | 52% | 0.515 | 77% | 0.77 | S | S | . | * | 88.9 | 140.3 | 114.3 | -35.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 295 | Y | 29.3 | Very low | 34.4 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 78.2 | 122.5 | 170 | -52.5 | -66.8 | 0 | 0 | 0 | 119.3 | ||||
| 296 | P | 40.8 | Very low | 34.4 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -99 | 145.3 | 171.1 | 36.8 | -31.1 | 0 | 0 | 0 | 113 | ||||
| 297 | V | 34 | Very low | 35 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -129.9 | 115.5 | 170.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 298 | V | 32.1 | Very low | 35.1 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | 31.1 | 106.3 | 151.7 | -171.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 299 | A | 37.8 | Very low | 35.5 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -91 | 161.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 300 | G | 34.8 | Very low | 35.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 146.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | E302 | G300-E302 PolarHBondContact O-N 3.21Š|
| 301 | R | 34.8 | Very low | 36.1 | Very low | 230 Ų | 230 | 137.9 Ų | 137.9 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 116.6 | 163.5 | -75.1 | -179.8 | 170.3 | -176 | -3.1 | 110.2 | ||
| 302 | E | 30.9 | Very low | 37.3 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 146.6 | 145.2 | -63.8 | -149.2 | 144.8 | 0 | 0 | 109.2 | G300 | G300-E302 PolarHBondContact O-N 3.21Š|
| 303 | M | 37.6 | Very low | 38.2 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -130.2 | 68.6 | -179.8 | -158.8 | 156.2 | -175.7 | 0 | 0 | 110.1 | ||||
| 304 | V | 42.4 | Very low | 38.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 138.8 | 174.4 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 305 | G | 36.8 | Very low | 39.7 | Very low | 55 Ų | 55 | 140.4 Ų | 140.4 | 57% | 0.567 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 152.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T307 | G305-T307 PolarHBondContact O-N 2.89Š|
| 306 | P | 40.8 | Very low | 40.1 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 117 | -175.7 | 30.6 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 307 | T | 43.3 | Very low | 39.9 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -129.8 | 110.5 | 161.9 | -46.2 | 0 | 0 | 0 | 0 | 108.1 | G305 | G305-T307 PolarHBondContact O-N 2.89Š| ||
| 308 | L | 42.4 | Very low | 40.2 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -73.8 | 139.4 | 177.4 | -80 | 164.5 | 0 | 0 | 0 | 110.6 | ||||
| 309 | P | 39.7 | Very low | 40.6 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -76.4 | 129.7 | 176.8 | 31.1 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 310 | G | 42.4 | Very low | 40.5 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 158.3 | -7.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 311 | Y | 38.2 | Very low | 40.5 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -131 | 141.8 | -179.2 | -98.4 | -99.5 | 0 | 0 | 0 | 113.2 | ||||
| 312 | P | 55 | Low | 40.4 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 151.8 | 174 | 32 | -35 | 0 | 0 | 0 | 111.7 | ||
| 313 | P | 51 | Low | 40.7 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 129.5 | -177 | 29.1 | -34.5 | 0 | 0 | 0 | 112.4 | ||
| 314 | H | 42.9 | Very low | 40.6 | Very low | 174 Ų | 174 | 129 Ų | 129 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 133.3 | 172.9 | -78.3 | -104.3 | 0 | 0 | 0 | 111.7 | ||
| 315 | I | 45.7 | Very low | 40.1 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 123.9 | 172.6 | -57.1 | 170.8 | 0 | 0 | 0 | 108.6 | T317 | I315-T317 PolarHBondContact O-N 3.11Å; I315-T317 VanDerWaalsContact O-N 3.11Å |
| 316 | P | 38.4 | Very low | 40.1 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 101.6 | 173.6 | 29.8 | -32.5 | 0 | 0 | 0 | 110 | ||||
| 317 | T | 36.6 | Very low | 39.9 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -70 | 143.8 | 170.9 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | I315 | I315-T317 PolarHBondContact O-N 3.11Å; I315-T317 VanDerWaalsContact O-N 3.11Å | ||
| 318 | S | 40.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -89.8 | 117.4 | -175.6 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 319 | G | 40.5 | Very low | 39.2 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 119.3 | 110.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 320 | Q | 35.1 | Very low | 39 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | -156.5 | 147.8 | 111.3 | -81.7 | -141.7 | -27 | 0 | 0 | 108.8 | |||||
| 321 | G | 36.4 | Very low | 38.6 | Very low | 58 Ų | 58 | 133 Ų | 133 | 60% | 0.598 | 82% | 0.817 | S | S | * | * | trans | -103.2 | 110.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y323 | G321-Y323 WeakPolarHBondContact O-CE1 3.49Š| ||
| 322 | S | 32.6 | Very low | 38.4 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -102.6 | 103.9 | 176.6 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | A324 | S322-A324 PolarHBondContact O-N 2.89Š| ||
| 323 | Y | 36.9 | Very low | 37.4 | Very low | 221 Ų | 221 | 130.2 Ų | 130.2 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -73.9 | 116.8 | 174.8 | 15.4 | -96.6 | 0 | 0 | 0 | 110.3 | G321 | G321-Y323 WeakPolarHBondContact O-CE1 3.49Š| ||
| 324 | A | 35.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -94.7 | 108.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S322 | S322-A324 PolarHBondContact O-N 2.89Š| ||
| 325 | S | 32.2 | Very low | 36.1 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -158.6 | 109.2 | 168.6 | -75.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 326 | S | 36.1 | Very low | 35.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | trans | -76.5 | 130.7 | 175.4 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 327 | A | 36.2 | Very low | 35.2 | Very low | 104 Ų | 104 | 132 Ų | 132 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -114.2 | 144.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 328 | I | 37.4 | Very low | 35.1 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -121.5 | 133.7 | -169.8 | -67.2 | 171.7 | 0 | 0 | 0 | 110.2 | ||||
| 329 | A | 34.3 | Very low | 34.8 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | 63.6 | 152.7 | 167 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 330 | G | 34.6 | Very low | 34.4 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 141.5 | 71.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 331 | M | 34.1 | Very low | 34.3 | Very low | 196 Ų | 196 | 127.3 Ų | 127.3 | 97% | 0.966 | 83% | 0.825 | S | S | * | * | trans | -91.3 | 123.8 | 166.8 | -63.2 | -179.1 | -171.1 | 0 | 0 | 110.1 | ||||
| 332 | V | 34.8 | Very low | 34.1 | Very low | 155 Ų | 155 | 135 Ų | 135 | 94% | 0.939 | 84% | 0.838 | S | S | * | * | trans | -156.3 | 153.2 | 155.6 | 108.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 333 | A | 34.2 | Very low | 34.2 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 84% | 0.837 | S | S | * | * | trans | -120.7 | 149.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 334 | G | 30.1 | Very low | 34.1 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | 84.2 | 111.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 335 | S | 35.2 | Very low | 34.1 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 90% | 0.895 | 84% | 0.838 | S | S | * | * | -170.4 | 150.6 | 124.3 | -79.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 336 | E | 33.4 | Very low | 34.7 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | trans | -94.8 | 134.3 | -172.6 | -60.4 | 158.9 | 111.2 | 0 | 0 | 111.5 | ||||
| 337 | Y | 32.2 | Very low | 34.5 | Very low | 224 Ų | 224 | 138 Ų | 138 | 88% | 0.878 | 84% | 0.835 | S | S | * | * | trans | -151.9 | 150.2 | 154.6 | -158.9 | -103.5 | 0 | 0 | 0 | 112.1 | ||||
| 338 | S | 35.9 | Very low | 34.6 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 63% | 0.629 | 83% | 0.832 | S | S | * | * | trans | -93.9 | 139.4 | -167.8 | 60 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 339 | G | 32.8 | Very low | 34.4 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | trans | 69.8 | 110.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 340 | N | 32.2 | Very low | 34.8 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | -160.5 | 137.9 | 113.6 | -105.6 | -14.7 | 0 | 0 | 0 | 111.5 | |||||
| 341 | A | 32.4 | Very low | 35.3 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -89.8 | 112.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 342 | Y | 32.1 | Very low | 35.4 | Very low | 220 Ų | 220 | 141 Ų | 141 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | trans | -89.5 | 100.1 | 164.6 | -93.1 | -89.5 | 0 | 0 | 0 | 109.6 | ||||
| 343 | G | 35 | Very low | 35.8 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 133 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 344 | H | 36 | Very low | 36.3 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131.2 | 175.4 | -74.4 | -100.3 | 0 | 0 | 0 | 111.4 | ||
| 345 | T | 35.7 | Very low | 37.2 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.7 | 163.5 | 38.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 346 | P | 44 | Very low | 37.3 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 159.5 | 178 | 30.1 | -34.6 | 0 | 0 | 0 | 112.5 | S348 | P346-S348 PolarHBondContact O-N 3.02Š|
| 347 | Y | 31.6 | Very low | 37.9 | Very low | 222 Ų | 222 | 151.2 Ų | 151.2 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 117.9 | -172.1 | -166.5 | -97.3 | 0 | 0 | 0 | 112.9 | S349 | Y347-S349 PolarHBondContact O-N 3.36Š|
| 348 | S | 37.9 | Very low | 38 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 119.8 | 173 | -78.2 | 0 | 0 | 0 | 0 | 111.9 | P346 | P346-S348 PolarHBondContact O-N 3.02Š|
| 349 | S | 34.8 | Very low | 38 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.6 | 178.2 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | Y347 S351 | Y347-S349 PolarHBondContact O-N 3.36Å; S349-S351 PolarHBondContact O-N 3.43Å |
| 350 | Y | 42.5 | Very low | 38.2 | Very low | 243 Ų | 243 | 151.4 Ų | 151.4 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -89.1 | 88.9 | -172.9 | -172.7 | -90.9 | 0 | 0 | 0 | 111.7 | ||
| 351 | S | 44.2 | Very low | 38.6 | Very low | 101 Ų | 101 | 151.6 Ų | 151.6 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -147.1 | -24.8 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 118.5 | S349 | S349-S351 PolarHBondContact O-N 3.43Š| ||
| 352 | E | 36.7 | Very low | 38.9 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | trans | -121.2 | 32.1 | -159.9 | -154 | 128.2 | 167.2 | 0 | 0 | 116.6 | W354 | E352-W354 PolarHBondContact O-N 2.69Š| ||
| 353 | A | 42.5 | Very low | 38.8 | Very low | 94 Ų | 94 | 150.7 Ų | 150.7 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -77.9 | 24.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 354 | W | 44.7 | Very low | 38.6 | Very low | 239 Ų | 239 | 152.3 Ų | 152.3 | 91% | 0.905 | 82% | 0.819 | S | S | * | * | trans | -130.7 | 58.6 | -174.3 | -71.5 | 111.6 | 0 | 0 | 0 | 114.2 | E352 | E352-W354 PolarHBondContact O-N 2.69Š| ||
| 355 | R | 50.1 | Low | 39 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -132.3 | 138.4 | 155.7 | -71.9 | -169.6 | 175 | 165.6 | 3.5 | 110.3 | P357 | R355-P357 WeakPolarHBondContact O-CD 3Š|
| 356 | F | 36.3 | Very low | 38.9 | Very low | 209 Ų | 209 | 153.5 Ų | 153.5 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -72.2 | 124 | -175.4 | -61.6 | -90.8 | 0 | 0 | 0 | 111.5 | ||||
| 357 | P | 47.1 | Very low | 38.4 | Very low | 113 Ų | 113 | 158.1 Ų | 158.1 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -90.6 | 104.1 | 168.5 | 33 | -27.7 | 0 | 0 | 0 | 110.3 | R355 | R355-P357 WeakPolarHBondContact O-CD 3Š| ||
| 358 | N | 33.6 | Very low | 38.3 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 163 | 117.5 | 142.7 | -89.7 | -39.1 | 0 | 0 | 0 | 111.9 | ||||
| 359 | S | 36.7 | Very low | 38 | Very low | 125 Ų | 125 | 156.4 Ų | 156.4 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -170.5 | 52.1 | 158.3 | -81.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 360 | S | 35.5 | Very low | 38 | Very low | 110 Ų | 110 | 156.8 Ų | 156.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -166 | 49.6 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 361 | L | 41.9 | Very low | 37.7 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -140.7 | 78.2 | 166.7 | -77.4 | -178.7 | 0 | 0 | 0 | 112.7 | ||||
| 362 | L | 38.8 | Very low | 37.4 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -171.1 | 96.2 | 140.4 | -130.6 | 75.9 | 0 | 0 | 0 | 111.9 | ||||
| 363 | S | 28.5 | Very low | 37.7 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | 177.9 | 155.4 | 131.1 | -162.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 364 | S | 31.3 | Very low | 37.9 | Very low | 106 Ų | 106 | 157.5 Ų | 157.5 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -87.3 | 160.9 | -173.4 | -92.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 365 | P | 45.2 | Very low | 37.6 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -77.5 | 146.8 | -169.9 | 31.5 | -36.6 | 0 | 0 | 0 | 113.4 | ||||
| 366 | Y | 31.8 | Very low | 37.3 | Very low | 233 Ų | 233 | 146.2 Ų | 146.2 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -128.1 | 151.1 | 160.9 | -99 | -91 | 0 | 0 | 0 | 110.7 | ||||
| 367 | Y | 33.6 | Very low | 38.2 | Very low | 217 Ų | 217 | 142 Ų | 142 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -55.4 | 137.4 | -174.5 | -103 | -126.2 | 0 | 0 | 0 | 113.2 | ||||
| 368 | Y | 29.9 | Very low | 38.3 | Very low | 211 Ų | 211 | 142.2 Ų | 142.2 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -86 | 134.2 | 155.8 | -163.3 | -96.1 | 0 | 0 | 0 | 108.6 | ||||
| 369 | S | 31.2 | Very low | 38.8 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | trans | -150 | 143.5 | 175.5 | -73.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 370 | S | 36.8 | Very low | 39 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -85.3 | 135.2 | -158 | -51 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 371 | T | 34.9 | Very low | 39.1 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -138.9 | 95.3 | 166.4 | -60.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 372 | S | 38.4 | Very low | 39.2 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | 66 | 129.5 | 77.8 | 78.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 373 | R | 43.8 | Very low | 39.4 | Very low | 249 Ų | 249 | 137 Ų | 137 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72 | 142.6 | 178.1 | -98.6 | -177.6 | 167.4 | -160.1 | -1.2 | 111.2 | ||
| 374 | P | 45.6 | Very low | 40.3 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 146.1 | 148.4 | 34.5 | -28.2 | 0 | 0 | 0 | 111.7 | ||
| 375 | S | 37.6 | Very low | 41.2 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 167.8 | 170.3 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 376 | A | 44.6 | Very low | 41.2 | Very low | 89 Ų | 89 | 144.3 Ų | 144.3 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 148.3 | -169 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 377 | P | 54.8 | Low | 42.1 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 154.7 | 162.9 | 36 | -33.6 | 0 | 0 | 0 | 111.8 | ||
| 378 | P | 49.5 | Very low | 42.5 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 154.6 | 174.5 | 37.2 | -33.7 | 0 | 0 | 0 | 113.3 | ||
| 379 | T | 44.8 | Very low | 43.2 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -141 | 142.1 | 157.8 | 32.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 380 | T | 39.6 | Very low | 43.9 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -124.8 | 143.3 | -173.1 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 381 | A | 39.2 | Very low | 44.3 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | trans | 62.6 | 105.7 | 158 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 382 | T | 43.4 | Very low | 44.9 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | -130 | 145 | 116 | 38.7 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 383 | A | 43.2 | Very low | 45.3 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 75% | 0.752 | 84% | 0.844 | S | S | * | * | trans | -96.6 | 154.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 384 | F | 47.4 | Very low | 45.4 | Very low | 214 Ų | 214 | 137.9 Ų | 137.9 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | trans | -140.7 | 131.2 | 152.3 | -115.8 | -82.3 | 0 | 0 | 0 | 109.2 | ||||
| 385 | D | 49.5 | Very low | 45.4 | Very low | 113 Ų | 113 | 139 Ų | 139 | 60% | 0.604 | 84% | 0.84 | S | S | * | * | trans | -92 | 145.5 | 171.9 | -164.8 | -81.3 | 0 | 0 | 0 | 108.5 | ||||
| 386 | H | 46.7 | Very low | 46 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.806 | 84% | 0.839 | S | S | * | * | trans | 164.4 | 160.1 | 131.5 | -79.7 | -26.6 | 0 | 0 | 0 | 112.1 | ||||
| 387 | L | 49.7 | Very low | 46.2 | Very low | 239 Ų | 239 | 145.1 Ų | 145.1 | 100% | 1.251 | 85% | 0.849 | S | S | * | * | trans | -78.5 | 0 | -174.9 | -73.2 | 68.9 | 0 | 0 | 0 | 112.7 |
Retrieved 387 of 387 residues in 56.6 ms
(Link to these results)