| 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 | 35.7 | Very low | 40.6 | Very low | 245 Ų | 245 | 118.8 Ų | 118.8 | 100% | 1.207 | 76% | 0.761 | S | S | * | * | 0 | 125.2 | 0 | -66.1 | -165.2 | -149.8 | 0 | 0 | 107.8 | |||||
| 2 | A | 34.5 | Very low | 42.9 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | trans | 18.9 | 114.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3 | S | 31.6 | Very low | 45.7 | Very low | 105 Ų | 105 | 109.9 Ų | 109.9 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | 79.5 | 111.5 | 64 | 73.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 4 | S | 34.1 | Very low | 48.3 | Very low | 111 Ų | 111 | 104.6 Ų | 104.6 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | trans | 55.1 | 134.8 | 148.5 | 69.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 5 | V | 32.4 | Very low | 50.5 | Low | 144 Ų | 144 | 100.1 Ų | 100.1 | 87% | 0.873 | 65% | 0.65 | S | S | * | * | -174.9 | 147 | 60.6 | 171.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 6 | G | 29.9 | Very low | 52.7 | Low | 72 Ų | 72 | 100.7 Ų | 100.7 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | trans | 112 | 79.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 7 | N | 36.6 | Very low | 54.8 | Low | 167 Ų | 167 | 99 Ų | 99 | 89% | 0.893 | 63% | 0.625 | S | S | * | * | trans | -113.6 | 80 | 169.1 | -143.7 | 14.9 | 0 | 0 | 0 | 108.8 | ||||
| 8 | V | 40.2 | Very low | 56.7 | Low | 139 Ų | 139 | 93.5 Ų | 93.5 | 84% | 0.842 | 59% | 0.591 | S | S | * | * | trans | -139.9 | 85.7 | 164.2 | -175.5 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 9 | A | 48.5 | Very low | 58.3 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | trans | -67.7 | 132.2 | 170 | 0 | 0 | 0 | 0 | 0 | 107.9 | S11 | A9-S11 PolarHBondContact O-N 3.07Š| ||
| 10 | D | 59.2 | Low | 59.8 | Low | 108 Ų | 108 | 96.9 Ų | 96.9 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | trans | -54.3 | 96.7 | -174.5 | -170.5 | 0.2 | 0 | 0 | 0 | 112.1 | T12 G13 L14 | D10-T12 PolarHBondContact O-N 3.4Å; D10-T12 WeakPolarHBondContact OD1-CB 3.46Å; D10-T12 PolarHBondContact OD1-N 3.05Å; D10-T12 PolarHBondContact OD1-OG1 2.91Å; D10-G13 PolarHBondContact O-N 2.98Å; D10-G13 PolarHBondContact OD1-N 2.83Å; D10-L14 PolarHBondContact O-N 3.25Å | ||
| 11 | S | 64.2 | Low | 61.3 | Low | 43 Ų | 43 | 93.8 Ų | 93.8 | 30% | 0.301 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.7 | -29.7 | 179.4 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | A9 A15 | A9-S11 PolarHBondContact O-N 3.07Å; S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 2.77Å; S11-A15 VanDerWaalsContact O-N 3.15Å |
| 12 | T | 68 | Low | 63.9 | Low | 92 Ų | 92 | 84.7 Ų | 84.7 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -48.7 | 172.9 | -3.4 | 0 | 0 | 0 | 0 | 112.1 | D10 L14 A15 E16 | D10-T12 PolarHBondContact O-N 3.4Å; D10-T12 WeakPolarHBondContact OD1-CB 3.46Å; D10-T12 PolarHBondContact OD1-N 3.05Å; D10-T12 PolarHBondContact OD1-OG1 2.91Å; T12-L14 VanDerWaalsContact C-N 3.35Å; T12-L14 PolarHBondContact O-N 3.27Å; T12-A15 PolarHBondContact O-N 2.65Å; T12-E16 PolarHBondContact O-N 3.05Å; T12-E16 VanDerWaalsContact O-N 3.09Å |
| 13 | G | 79 | Confident | 66.4 | Low | 30 Ų | 30 | 86.6 Ų | 86.6 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D10 L17 | D10-G13 PolarHBondContact O-N 2.98Å; D10-G13 PolarHBondContact OD1-N 2.83Å; G13-L17 WeakPolarHBondContact O-CB 3.49Å; G13-L17 PolarHBondContact O-N 3.29Å; G13-L17 VanDerWaalsContact O-N 3.07Å |
| 14 | L | 82.1 | Confident | 69.1 | Low | 36 Ų | 36 | 85.7 Ų | 85.7 | 19% | 0.188 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -71.4 | -34.4 | 178 | -164.2 | 72 | 0 | 0 | 0 | 111.9 | D10 T12 L17 A18 H33 Q36 L37 | D10-L14 PolarHBondContact O-N 3.25Å; T12-L14 VanDerWaalsContact C-N 3.35Å; T12-L14 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 2.79Å; L14-A18 PolarHBondContact O-N 3.09Å; L14-H33 HydrophobicContact CD1-CB 4.38Å; L14-H33 HydrophobicContact CG-CB 4.43Å; L14-Q36 HydrophobicContact CD2-CB 4.42Å; L14-Q36 HydrophobicContact CD2-CG 4.14Å; L14-L37 HydrophobicContact CB-CD1 4.43Å; L14-L37 HydrophobicContact CB-CD2 4.03Å; L14-L37 HydrophobicContact CB-CG 4.34Å; L14-L37 HydrophobicContact CD2-CD1 4.49Å; L14-L37 HydrophobicContact CD2-CD2 3.86Å; L14-L37 HydrophobicContact CD2-CG 3.76Å; L14-L37 HydrophobicContact CG-CD1 4.31Å; L14-L37 HydrophobicContact CG-CD2 4.26Å; L14-L37 HydrophobicContact CG-CG 4.1Å |
| 15 | A | 81.8 | Confident | 71.6 | Confident | 37 Ų | 37 | 82.2 Ų | 82.2 | 31% | 0.306 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S11 T12 L17 A18 H19 L37 | S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 2.77Å; S11-A15 VanDerWaalsContact O-N 3.15Å; T12-A15 PolarHBondContact O-N 2.65Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-A18 PolarHBondContact O-N 2.81Å; A15-H19 PolarHBondContact O-N 3.14Å; A15-L37 HydrophobicContact CB-CD1 3.92Å |
| 16 | E | 85 | Confident | 74.3 | Confident | 109 Ų | 109 | 79.2 Ų | 79.2 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 174 | -73.6 | -173.5 | -176.2 | 0 | 0 | 112.2 | T12 H19 R20 | T12-E16 PolarHBondContact O-N 3.05Å; T12-E16 VanDerWaalsContact O-N 3.09Å; E16-H19 PolarHBondContact O-N 3.14Å; E16-R20 WeakPolarHBondContact O-CG 3.36Å; E16-R20 PolarHBondContact O-N 2.87Å; E16-R20 IonicContact OE2-NH2 3.89Å |
| 17 | L | 88.8 | Confident | 77.2 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 176.1 | -179.5 | 63 | 0 | 0 | 0 | 111.1 | G13 L14 A15 H19 R20 E21 | G13-L17 WeakPolarHBondContact O-CB 3.49Å; G13-L17 PolarHBondContact O-N 3.29Å; G13-L17 VanDerWaalsContact O-N 3.07Å; L14-L17 PolarHBondContact O-N 2.79Å; A15-L17 VanDerWaalsContact C-N 3.34Å; L17-H19 PolarHBondContact O-N 3.16Å; L17-R20 PolarHBondContact O-N 3.29Å; L17-R20 VanDerWaalsContact O-N 3.12Å; L17-E21 HydrophobicContact CD1-CG 4.35Å; L17-E21 HydrophobicContact CG-CG 4.48Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 3.29Å |
| 18 | A | 88.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 A15 Y22 H33 L50 | L14-A18 PolarHBondContact O-N 3.09Å; A15-A18 PolarHBondContact O-N 2.81Å; A18-Y22 WeakPolarHBondContact O-CB 3.44Å; A18-Y22 PolarHBondContact O-N 3.14Å; A18-H33 HydrophobicContact CB-CB 4.01Å; A18-L50 HydrophobicContact CB-CD2 4.14Å |
| 19 | H | 87.6 | Confident | 81.9 | Confident | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 176 | -157.4 | 71.5 | 0 | 0 | 0 | 112.3 | A15 E16 L17 Y22 Q23 L50 | A15-H19 PolarHBondContact O-N 3.14Å; E16-H19 PolarHBondContact O-N 3.14Å; L17-H19 PolarHBondContact O-N 3.16Å; H19-Y22 PolarHBondContact O-N 2.9Å; H19-Q23 PolarHBondContact CD2-NE2 3.44Å; H19-Q23 PolarHBondContact NE2-NE2 2.79Å; H19-Q23 VanDerWaalsContact NE2-NE2 3.12Å; H19-Q23 WeakPolarHBondContact O-CG 3.39Å; H19-Q23 PolarHBondContact O-N 3.4Å; H19-L50 HydrophobicContact CB-CD2 4.44Å |
| 20 | R | 88.9 | Confident | 83.9 | Confident | 165 Ų | 165 | 67.2 Ų | 67.2 | 62% | 0.623 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 174.8 | -73.5 | -176.7 | -166 | 169.4 | 10 | 112.1 | E16 L17 Q23 A24 | E16-R20 WeakPolarHBondContact O-CG 3.36Å; E16-R20 PolarHBondContact O-N 2.87Å; E16-R20 IonicContact OE2-NH2 3.89Å; L17-R20 PolarHBondContact O-N 3.29Å; L17-R20 VanDerWaalsContact O-N 3.12Å; R20-Q23 PolarHBondContact O-N 3.23Å; R20-A24 WeakPolarHBondContact O-CB 3.03Å; R20-A24 PolarHBondContact O-N 3.19Å |
| 21 | E | 90.5 | Very high | 85.5 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.6 | -71.7 | 171.6 | 164.8 | 0 | 0 | 111.5 | L17 Q23 A24 G25 D26 A29 A30 H33 | L17-E21 HydrophobicContact CD1-CG 4.35Å; L17-E21 HydrophobicContact CG-CG 4.48Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 3.29Å; E21-Q23 PolarHBondContact O-N 2.91Å; E21-A24 PolarHBondContact O-N 3Å; E21-G25 PolarHBondContact O-N 3.34Å; E21-G25 VanDerWaalsContact O-N 3.15Å; E21-D26 PolarHBondContact O-N 3.04Å; E21-A29 HydrophobicContact CG-CB 4.31Å; E21-A30 HydrophobicContact CB-CB 3.86Å; E21-A30 WeakPolarHBondContact OE2-CA 3.13Å; E21-A30 PolarHBondContact OE2-N 2.87Å; E21-H33 VanDerWaalsContact CD-ND1 3.29Å; E21-H33 IonicContact OE1-CE1 3.09Å; E21-H33 PolarHBondContact OE1-CE1 3.49Å; E21-H33 IonicContact OE1-ND1 2.69Å; E21-H33 PolarHBondContact OE1-ND1 3.48Å; E21-H33 VanDerWaalsContact OE1-ND1 3.12Å; E21-H33 IonicContact OE2-CE1 3.55Å; E21-H33 IonicContact OE2-CG 2.8Å; E21-H33 IonicContact OE2-ND1 3.9Å; E21-H33 PolarHBondContact OE2-ND1 3.39Å |
| 22 | Y | 90.7 | Very high | 86.7 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 172.6 | 174.1 | -99.6 | 0 | 0 | 0 | 112 | A18 H19 A24 G25 F27 L50 I54 Q57 | A18-Y22 WeakPolarHBondContact O-CB 3.44Å; A18-Y22 PolarHBondContact O-N 3.14Å; H19-Y22 PolarHBondContact O-N 2.9Å; Y22-A24 VanDerWaalsContact C-N 3.27Å; Y22-A24 PolarHBondContact O-N 3.18Å; Y22-G25 PolarHBondContact O-N 2.71Å; Y22-G25 VanDerWaalsContact O-N 3.09Å; Y22-F27 AromaticContact CD2-CD1 3.84Å; Y22-F27 HydrophobicContact CD2-CD1 3.84Å; Y22-F27 AromaticContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CE2-CD1 4.16Å; Y22-F27 AromaticContact CE2-CE1 3.79Å; Y22-F27 HydrophobicContact CE2-CE1 3.79Å; Y22-L50 HydrophobicContact CD1-CD1 3.98Å; Y22-L50 HydrophobicContact CD2-CD1 4.15Å; Y22-L50 HydrophobicContact CG-CD1 3.73Å; Y22-I54 HydrophobicContact CD2-CG1 3.56Å; Y22-I54 HydrophobicContact CE2-CG1 4.17Å; Y22-I54 HydrophobicContact CG-CG1 4.44Å; Y22-Q57 HydrophobicContact CE2-CG 3.93Å |
| 23 | Q | 88.1 | Confident | 87.8 | Confident | 135 Ų | 135 | 66.1 Ų | 66.1 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.7 | -31.1 | 177.2 | -72.2 | 178.9 | -4.1 | 0 | 0 | 112.8 | H19 R20 E21 G25 | H19-Q23 PolarHBondContact CD2-NE2 3.44Å; H19-Q23 PolarHBondContact NE2-NE2 2.79Å; H19-Q23 VanDerWaalsContact NE2-NE2 3.12Å; H19-Q23 WeakPolarHBondContact O-CG 3.39Å; H19-Q23 PolarHBondContact O-N 3.4Å; R20-Q23 PolarHBondContact O-N 3.23Å; E21-Q23 PolarHBondContact O-N 2.91Å; Q23-G25 VanDerWaalsContact C-N 3.25Å; Q23-G25 PolarHBondContact O-N 2.6Å |
| 24 | A | 88 | Confident | 88.3 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R20 E21 Y22 D26 | R20-A24 WeakPolarHBondContact O-CB 3.03Å; R20-A24 PolarHBondContact O-N 3.19Å; E21-A24 PolarHBondContact O-N 3Å; Y22-A24 VanDerWaalsContact C-N 3.27Å; Y22-A24 PolarHBondContact O-N 3.18Å; A24-D26 VanDerWaalsContact C-N 3.34Å |
| 25 | G | 85 | Confident | 88.7 | Confident | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 6.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E21 Y22 Q23 F27 | E21-G25 PolarHBondContact O-N 3.34Å; E21-G25 VanDerWaalsContact O-N 3.15Å; Y22-G25 PolarHBondContact O-N 2.71Å; Y22-G25 VanDerWaalsContact O-N 3.09Å; Q23-G25 VanDerWaalsContact C-N 3.25Å; Q23-G25 PolarHBondContact O-N 2.6Å; G25-F27 VanDerWaalsContact C-N 3.28Å; G25-F27 WeakPolarHBondContact O-CD2 3.26Å; G25-F27 PolarHBondContact O-N 3.24Å |
| 26 | D | 90.3 | Very high | 89.1 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | trans | -84.3 | 75.1 | 173.7 | -168.8 | -16.1 | 0 | 0 | 0 | 110.2 | E21 A24 E28 A29 A30 | E21-D26 PolarHBondContact O-N 3.04Å; A24-D26 VanDerWaalsContact C-N 3.34Å; D26-E28 PolarHBondContact O-N 2.79Å; D26-E28 PolarHBondContact OD1-N 3.17Å; D26-A29 HydrophobicContact CB-CB 4.41Å; D26-A29 WeakPolarHBondContact OD1-CB 3.21Å; D26-A29 PolarHBondContact OD1-N 3.17Å; D26-A29 VanDerWaalsContact OD1-N 3.08Å; D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 3.15Å; D26-A30 VanDerWaalsContact O-N 3.09Å | ||
| 27 | F | 90.4 | Very high | 89.1 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 25% | 0.25 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.5 | -24.7 | -176 | -58 | -53.3 | 0 | 0 | 0 | 113.6 | Y22 G25 E31 I54 Q57 C58 | Y22-F27 AromaticContact CD2-CD1 3.84Å; Y22-F27 HydrophobicContact CD2-CD1 3.84Å; Y22-F27 AromaticContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CE2-CD1 4.16Å; Y22-F27 AromaticContact CE2-CE1 3.79Å; Y22-F27 HydrophobicContact CE2-CE1 3.79Å; G25-F27 VanDerWaalsContact C-N 3.28Å; G25-F27 WeakPolarHBondContact O-CD2 3.26Å; G25-F27 PolarHBondContact O-N 3.24Å; F27-E31 VanDerWaalsContact O-CB 3.29Å; F27-E31 WeakPolarHBondContact O-CB 3.25Å; F27-E31 PolarHBondContact O-N 3.43Å; F27-I54 HydrophobicContact CB-CG2 4.15Å; F27-I54 WeakPolarHBondContact O-CG2 3.39Å; F27-Q57 HydrophobicContact CD1-CB 4.13Å; F27-Q57 HydrophobicContact CD2-CB 4.33Å; F27-Q57 HydrophobicContact CE1-CB 3.72Å; F27-Q57 HydrophobicContact CE1-CG 3.83Å; F27-Q57 HydrophobicContact CE2-CB 3.92Å; F27-Q57 HydrophobicContact CG-CB 4.43Å; F27-Q57 HydrophobicContact CZ-CB 3.6Å; F27-Q57 HydrophobicContact CZ-CG 3.88Å; F27-C58 VanDerWaalsContact CB-SG 3.56Å |
| 28 | E | 88.6 | Confident | 89.1 | Confident | 143 Ų | 143 | 62.5 Ų | 62.5 | 67% | 0.668 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -80.5 | -40.5 | -177.3 | -170.3 | 174 | -172.1 | 0 | 0 | 111.8 | D26 R32 | D26-E28 PolarHBondContact O-N 2.79Å; D26-E28 PolarHBondContact OD1-N 3.17Å; E28-R32 PolarHBondContact O-N 3.36Å |
| 29 | A | 86.9 | Confident | 89 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | E21 D26 E31 R32 H33 | E21-A29 HydrophobicContact CG-CB 4.31Å; D26-A29 HydrophobicContact CB-CB 4.41Å; D26-A29 WeakPolarHBondContact OD1-CB 3.21Å; D26-A29 PolarHBondContact OD1-N 3.17Å; D26-A29 VanDerWaalsContact OD1-N 3.08Å; A29-E31 VanDerWaalsContact C-N 3.33Å; A29-E31 PolarHBondContact O-N 3.04Å; A29-R32 PolarHBondContact O-N 3.46Å; A29-R32 VanDerWaalsContact O-N 3.11Å; A29-H33 PolarHBondContact O-N 2.9Å; A29-H33 PolarHBondContact O-ND1 3.48Å |
| 30 | A | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E21 D26 C34 I54 | E21-A30 HydrophobicContact CB-CB 3.86Å; E21-A30 WeakPolarHBondContact OE2-CA 3.13Å; E21-A30 PolarHBondContact OE2-N 2.87Å; D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 3.15Å; D26-A30 VanDerWaalsContact O-N 3.09Å; A30-C34 VanDerWaalsContact O-CB 3.26Å; A30-C34 WeakPolarHBondContact O-CB 3.4Å; A30-C34 PolarHBondContact O-N 3.08Å; A30-C34 PolarHBondContact O-SG 3.42Å; A30-I54 HydrophobicContact CB-CD1 3.68Å; A30-I54 HydrophobicContact CB-CG1 4.25Å |
| 31 | E | 92 | Very high | 88.7 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.4 | -175.2 | -179.4 | 177.1 | 0 | 0 | 111.2 | F27 A29 C34 M35 L51 I54 H55 R60 R63 | F27-E31 VanDerWaalsContact O-CB 3.29Å; F27-E31 WeakPolarHBondContact O-CB 3.25Å; F27-E31 PolarHBondContact O-N 3.43Å; A29-E31 VanDerWaalsContact C-N 3.33Å; A29-E31 PolarHBondContact O-N 3.04Å; E31-C34 PolarHBondContact O-N 2.87Å; E31-M35 HydrophobicContact CG-CG 4.18Å; E31-M35 VanDerWaalsContact O-CB 3.28Å; E31-M35 WeakPolarHBondContact O-CB 3.41Å; E31-M35 VanDerWaalsContact O-CG 3.24Å; E31-M35 WeakPolarHBondContact O-CG 3.38Å; E31-M35 PolarHBondContact O-N 3.08Å; E31-L51 HydrophobicContact CG-CD2 4.43Å; E31-I54 HydrophobicContact CB-CG2 4.05Å; E31-H55 IonicContact OE1-CE1 3.15Å; E31-H55 PolarHBondContact OE1-CE1 2.88Å; E31-H55 IonicContact OE1-NE2 3.35Å; E31-H55 IonicContact OE2-CE1 3.32Å; E31-R60 IonicContact OE1-CZ 3.34Å; E31-R60 IonicContact OE1-NH1 3.91Å; E31-R60 PolarHBondContact OE1-NH1 3.35Å; E31-R60 VanDerWaalsContact OE1-NH1 3.14Å; E31-R60 IonicContact OE2-CZ 3.28Å; E31-R60 IonicContact OE2-NH1 3.3Å; E31-R60 PolarHBondContact OE2-NH1 3.33Å; E31-R60 IonicContact OE2-NH2 3.12Å; E31-R60 PolarHBondContact OE2-NH2 3.02Å; E31-R63 IonicContact OE1-NH1 2.93Å; E31-R63 PolarHBondContact OE1-NH1 3.46Å |
| 32 | R | 90.7 | Very high | 88.5 | Confident | 156 Ų | 156 | 70.6 Ų | 70.6 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.9 | -47.6 | -179.8 | -82.4 | -175.5 | -70.6 | 136.4 | -2.7 | 111.7 | E28 A29 M35 Q36 | E28-R32 PolarHBondContact O-N 3.36Å; A29-R32 PolarHBondContact O-N 3.46Å; A29-R32 VanDerWaalsContact O-N 3.11Å; R32-M35 PolarHBondContact O-N 3.05Å; R32-Q36 PolarHBondContact O-N 3.3Å |
| 33 | H | 90.1 | Very high | 88.2 | Confident | 38 Ų | 38 | 73 Ų | 73 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.2 | -40.4 | 179.1 | -65.2 | 139.5 | 0 | 0 | 0 | 112.1 | L14 A18 E21 A29 M35 Q36 L37 | L14-H33 HydrophobicContact CD1-CB 4.38Å; L14-H33 HydrophobicContact CG-CB 4.43Å; A18-H33 HydrophobicContact CB-CB 4.01Å; E21-H33 VanDerWaalsContact CD-ND1 3.29Å; E21-H33 IonicContact OE1-CE1 3.09Å; E21-H33 PolarHBondContact OE1-CE1 3.49Å; E21-H33 IonicContact OE1-ND1 2.69Å; E21-H33 PolarHBondContact OE1-ND1 3.48Å; E21-H33 VanDerWaalsContact OE1-ND1 3.12Å; E21-H33 IonicContact OE2-CE1 3.55Å; E21-H33 IonicContact OE2-CG 2.8Å; E21-H33 IonicContact OE2-ND1 3.9Å; E21-H33 PolarHBondContact OE2-ND1 3.39Å; A29-H33 PolarHBondContact O-N 2.9Å; A29-H33 PolarHBondContact O-ND1 3.48Å; H33-M35 PolarHBondContact O-N 3.33Å; H33-Q36 WeakPolarHBondContact O-CB 3.35Å; H33-Q36 PolarHBondContact O-N 2.95Å; H33-L37 WeakPolarHBondContact O-CG 3.47Å; H33-L37 PolarHBondContact O-N 3.33Å |
| 34 | C | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 173.9 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | A30 E31 Q36 L37 W38 V47 L50 L51 | A30-C34 VanDerWaalsContact O-CB 3.26Å; A30-C34 WeakPolarHBondContact O-CB 3.4Å; A30-C34 PolarHBondContact O-N 3.08Å; A30-C34 PolarHBondContact O-SG 3.42Å; E31-C34 PolarHBondContact O-N 2.87Å; C34-Q36 VanDerWaalsContact C-N 3.3Å; C34-Q36 PolarHBondContact O-N 3.2Å; C34-L37 PolarHBondContact O-N 2.63Å; C34-W38 VanDerWaalsContact O-CB 3.31Å; C34-W38 WeakPolarHBondContact O-CB 3.25Å; C34-W38 PolarHBondContact O-N 3.34Å; C34-V47 HydrophobicContact CB-CG1 4.1Å; C34-V47 VanDerWaalsContact O-CG1 3.24Å; C34-V47 WeakPolarHBondContact O-CG1 3.19Å; C34-L50 WeakPolarHBondContact SG-CD2 3.35Å; C34-L51 HydrophobicContact CB-CD1 4.39Å; C34-L51 HydrophobicContact CB-CD2 3.46Å; C34-L51 VanDerWaalsContact CB-CD2 3.46Å; C34-L51 HydrophobicContact CB-CG 3.69Å |
| 35 | M | 90.5 | Very high | 88.3 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 21% | 0.207 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -34.2 | 176.3 | -77.3 | -67.3 | -131.2 | 0 | 0 | 111.9 | E31 R32 H33 W38 R39 L51 F67 | E31-M35 HydrophobicContact CG-CG 4.18Å; E31-M35 VanDerWaalsContact O-CB 3.28Å; E31-M35 WeakPolarHBondContact O-CB 3.41Å; E31-M35 VanDerWaalsContact O-CG 3.24Å; E31-M35 WeakPolarHBondContact O-CG 3.38Å; E31-M35 PolarHBondContact O-N 3.08Å; R32-M35 PolarHBondContact O-N 3.05Å; H33-M35 PolarHBondContact O-N 3.33Å; M35-W38 HydrophobicContact SD-CE3 3.68Å; M35-W38 HydrophobicContact SD-CZ3 4.08Å; M35-R39 VanDerWaalsContact O-CG 3.31Å; M35-R39 WeakPolarHBondContact O-CG 3.34Å; M35-R39 PolarHBondContact O-N 3.14Å; M35-R39 VanDerWaalsContact O-N 3.1Å; M35-L51 HydrophobicContact CG-CD2 4.08Å; M35-L51 HydrophobicContact SD-CD1 4.32Å; M35-L51 HydrophobicContact SD-CD2 4.25Å; M35-F67 HydrophobicContact CE-CZ 4.08Å; M35-F67 HydrophobicContact SD-CZ 4.17Å |
| 36 | Q | 89 | Confident | 88.4 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 173.1 | -178.2 | 175.2 | -8 | 0 | 0 | 111.4 | L14 R32 H33 C34 R39 Q40 | L14-Q36 HydrophobicContact CD2-CB 4.42Å; L14-Q36 HydrophobicContact CD2-CG 4.14Å; R32-Q36 PolarHBondContact O-N 3.3Å; H33-Q36 WeakPolarHBondContact O-CB 3.35Å; H33-Q36 PolarHBondContact O-N 2.95Å; C34-Q36 VanDerWaalsContact C-N 3.3Å; C34-Q36 PolarHBondContact O-N 3.2Å; Q36-R39 PolarHBondContact O-N 3.36Å; Q36-Q40 WeakPolarHBondContact O-CG 3.45Å; Q36-Q40 PolarHBondContact O-N 3.34Å |
| 37 | L | 86.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.4 | -76 | 166.8 | 0 | 0 | 0 | 111.7 | L14 A15 H33 C34 R39 Q40 E41 V47 | L14-L37 HydrophobicContact CB-CD1 4.43Å; L14-L37 HydrophobicContact CB-CD2 4.03Å; L14-L37 HydrophobicContact CB-CG 4.34Å; L14-L37 HydrophobicContact CD2-CD1 4.49Å; L14-L37 HydrophobicContact CD2-CD2 3.86Å; L14-L37 HydrophobicContact CD2-CG 3.76Å; L14-L37 HydrophobicContact CG-CD1 4.31Å; L14-L37 HydrophobicContact CG-CD2 4.26Å; L14-L37 HydrophobicContact CG-CG 4.1Å; A15-L37 HydrophobicContact CB-CD1 3.92Å; H33-L37 WeakPolarHBondContact O-CG 3.47Å; H33-L37 PolarHBondContact O-N 3.33Å; C34-L37 PolarHBondContact O-N 2.63Å; L37-R39 VanDerWaalsContact C-N 3.28Å; L37-R39 PolarHBondContact O-N 3.21Å; L37-Q40 PolarHBondContact O-N 2.63Å; L37-E41 PolarHBondContact O-N 3.43Å; L37-V47 HydrophobicContact CB-CG1 4.09Å; L37-V47 HydrophobicContact CB-CG2 3.88Å; L37-V47 HydrophobicContact CD1-CG2 4.12Å |
| 38 | W | 88.1 | Confident | 88.5 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -32.6 | -179.4 | -177.2 | 50.2 | 0 | 0 | 0 | 112.7 | C34 M35 Q40 E41 P42 V47 L51 F67 L70 | C34-W38 VanDerWaalsContact O-CB 3.31Å; C34-W38 WeakPolarHBondContact O-CB 3.25Å; C34-W38 PolarHBondContact O-N 3.34Å; M35-W38 HydrophobicContact SD-CE3 3.68Å; M35-W38 HydrophobicContact SD-CZ3 4.08Å; W38-Q40 VanDerWaalsContact C-N 3.28Å; W38-Q40 PolarHBondContact O-N 2.8Å; W38-E41 CarbonylContact O-C 3.32Å; W38-P42 PolarHBondContact NE1-O 2.8Å; W38-P42 VanDerWaalsContact NE1-O 3.13Å; W38-P42 WeakPolarHBondContact O-CA 3.29Å; W38-P42 VanDerWaalsContact O-N 3.12Å; W38-V47 HydrophobicContact CB-CG1 3.93Å; W38-L51 HydrophobicContact CB-CD1 4.13Å; W38-L51 HydrophobicContact CD2-CD1 4.48Å; W38-L51 HydrophobicContact CG-CD1 4.26Å; W38-F67 HydrophobicContact CD2-CE1 4.25Å; W38-F67 HydrophobicContact CE3-CE1 4Å; W38-F67 HydrophobicContact CE3-CZ 4.49Å; W38-F67 AromaticContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CZ2-CE1 4.13Å; W38-F67 AromaticContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CZ 4.16Å; W38-L70 HydrophobicContact CH2-CD1 4.48Å; W38-L70 HydrophobicContact CZ2-CD1 3.89Å |
| 39 | R | 87 | Confident | 88.7 | Confident | 208 Ų | 208 | 55.2 Ų | 55.2 | 79% | 0.785 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.5 | -29 | 172.9 | -75.1 | 174.2 | -173.3 | 178.3 | 3.7 | 113.1 | M35 Q36 L37 | M35-R39 VanDerWaalsContact O-CG 3.31Å; M35-R39 WeakPolarHBondContact O-CG 3.34Å; M35-R39 PolarHBondContact O-N 3.14Å; M35-R39 VanDerWaalsContact O-N 3.1Å; Q36-R39 PolarHBondContact O-N 3.36Å; L37-R39 VanDerWaalsContact C-N 3.28Å; L37-R39 PolarHBondContact O-N 3.21Å |
| 40 | Q | 84.9 | Confident | 89 | Confident | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -85.2 | -38.9 | 178.8 | -66.2 | 176.6 | -2.1 | 0 | 0 | 111.2 | Q36 L37 W38 | Q36-Q40 WeakPolarHBondContact O-CG 3.45Å; Q36-Q40 PolarHBondContact O-N 3.34Å; L37-Q40 PolarHBondContact O-N 2.63Å; W38-Q40 VanDerWaalsContact C-N 3.28Å; W38-Q40 PolarHBondContact O-N 2.8Å |
| 41 | E | 84.9 | Confident | 89.1 | Confident | 75 Ų | 75 | 56 Ų | 56 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | trans | -131.8 | 81.5 | -178.9 | -63.1 | 176.8 | -172.4 | 0 | 0 | 110 | L37 W38 D43 N44 | L37-E41 PolarHBondContact O-N 3.43Å; W38-E41 CarbonylContact O-C 3.32Å; E41-D43 PolarHBondContact O-N 2.88Å; E41-D43 VanDerWaalsContact O-N 3.1Å; E41-N44 HydrophobicContact CB-CB 3.93Å; E41-N44 WeakPolarHBondContact O-CB 3.47Å; E41-N44 PolarHBondContact O-N 2.84Å; E41-N44 PolarHBondContact OE2-ND2 2.78Å | ||
| 42 | P | 85.7 | Confident | 89.2 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.6 | -177.1 | -25.2 | 35 | 0 | 0 | 0 | 114.2 | W38 | W38-P42 PolarHBondContact NE1-O 2.8Å; W38-P42 VanDerWaalsContact NE1-O 3.13Å; W38-P42 WeakPolarHBondContact O-CA 3.29Å; W38-P42 VanDerWaalsContact O-N 3.12Å |
| 43 | D | 85.1 | Confident | 89.3 | Confident | 103 Ų | 103 | 48.4 Ų | 48.4 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 1.9 | -173.9 | -69.2 | -7.5 | 0 | 0 | 0 | 113.1 | E41 T45 Q74 | E41-D43 PolarHBondContact O-N 2.88Å; E41-D43 VanDerWaalsContact O-N 3.1Å; D43-T45 PolarHBondContact O-N 3.22Å; D43-Q74 HydrophobicContact CB-CG 4.25Å; D43-Q74 VanDerWaalsContact CB-NE2 3.28Å; D43-Q74 WeakPolarHBondContact O-CG 3.44Å; D43-Q74 PolarHBondContact OD2-NE2 3.37Å |
| 44 | N | 89 | Confident | 89.4 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | trans | -74.4 | 100.3 | -179.1 | -170.5 | -37.9 | 0 | 0 | 0 | 111 | E41 G46 V47 L48 | E41-N44 HydrophobicContact CB-CB 3.93Å; E41-N44 WeakPolarHBondContact O-CB 3.47Å; E41-N44 PolarHBondContact O-N 2.84Å; E41-N44 PolarHBondContact OE2-ND2 2.78Å; N44-G46 PolarHBondContact O-N 2.84Å; N44-G46 PolarHBondContact OD1-N 2.98Å; N44-G46 VanDerWaalsContact OD1-N 3.1Å; N44-V47 HydrophobicContact CB-CB 4.26Å; N44-V47 HydrophobicContact CB-CG2 4.06Å; N44-V47 PolarHBondContact O-N 2.95Å; N44-V47 PolarHBondContact OD1-N 2.8Å; N44-L48 PolarHBondContact O-N 2.96Å; N44-L48 VanDerWaalsContact O-N 3.12Å | ||
| 45 | T | 88.4 | Confident | 89.6 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 22% | 0.221 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -29.6 | -177.6 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | D43 L48 L49 Q74 N75 | D43-T45 PolarHBondContact O-N 3.22Å; T45-L48 PolarHBondContact O-N 3.15Å; T45-L49 WeakPolarHBondContact O-CG 3.35Å; T45-L49 PolarHBondContact O-N 3.28Å; T45-Q74 HydrophobicContact CG2-CB 4Å; T45-Q74 HydrophobicContact CG2-CG 3.92Å; T45-N75 HydrophobicContact CG2-CB 3.91Å |
| 46 | G | 87.5 | Confident | 89.7 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | N44 L50 | N44-G46 PolarHBondContact O-N 2.84Å; N44-G46 PolarHBondContact OD1-N 2.98Å; N44-G46 VanDerWaalsContact OD1-N 3.1Å; G46-L50 WeakPolarHBondContact O-CB 3.44Å; G46-L50 PolarHBondContact O-N 3.29Å; G46-L50 VanDerWaalsContact O-N 3.08Å |
| 47 | V | 90.2 | Very high | 89.8 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.7 | 178 | 0 | 0 | 0 | 0 | 111.1 | C34 L37 W38 N44 L49 L50 L51 | C34-V47 HydrophobicContact CB-CG1 4.1Å; C34-V47 VanDerWaalsContact O-CG1 3.24Å; C34-V47 WeakPolarHBondContact O-CG1 3.19Å; L37-V47 HydrophobicContact CB-CG1 4.09Å; L37-V47 HydrophobicContact CB-CG2 3.88Å; L37-V47 HydrophobicContact CD1-CG2 4.12Å; W38-V47 HydrophobicContact CB-CG1 3.93Å; N44-V47 HydrophobicContact CB-CB 4.26Å; N44-V47 HydrophobicContact CB-CG2 4.06Å; N44-V47 PolarHBondContact O-N 2.95Å; N44-V47 PolarHBondContact OD1-N 2.8Å; V47-L49 PolarHBondContact O-N 2.99Å; V47-L50 PolarHBondContact O-N 3.47Å; V47-L51 HydrophobicContact CG1-CD1 4.1Å; V47-L51 HydrophobicContact CG1-CG 4.46Å; V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 3.21Å |
| 48 | L | 93.4 | Very high | 90 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.1 | -68.4 | 171.8 | 0 | 0 | 0 | 112.4 | N44 T45 S52 F67 L70 A71 | N44-L48 PolarHBondContact O-N 2.96Å; N44-L48 VanDerWaalsContact O-N 3.12Å; T45-L48 PolarHBondContact O-N 3.15Å; L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 3.38Å; L48-F67 HydrophobicContact CD2-CD1 3.88Å; L48-L70 HydrophobicContact CD1-CB 4.22Å; L48-L70 HydrophobicContact CD2-CB 4.06Å; L48-L70 HydrophobicContact CD2-CD1 4.33Å; L48-A71 HydrophobicContact CB-CB 3.84Å; L48-A71 HydrophobicContact CD1-CB 4.36Å |
| 49 | L | 92.1 | Very high | 90.1 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 173.6 | -81 | 179.6 | 0 | 0 | 0 | 111.9 | T45 V47 S52 S53 L78 E80 A81 | T45-L49 WeakPolarHBondContact O-CG 3.35Å; T45-L49 PolarHBondContact O-N 3.28Å; V47-L49 PolarHBondContact O-N 2.99Å; L49-S52 WeakPolarHBondContact O-CB 3.42Å; L49-S52 PolarHBondContact O-N 3.4Å; L49-S53 PolarHBondContact O-N 2.96Å; L49-S53 PolarHBondContact O-OG 2.85Å; L49-L78 HydrophobicContact CD1-CD2 3.52Å; L49-L78 HydrophobicContact CD1-CG 4.26Å; L49-L78 HydrophobicContact CD2-CD2 3.68Å; L49-L78 HydrophobicContact CG-CD2 3.55Å; L49-E80 HydrophobicContact CD1-CB 3.84Å; L49-E80 HydrophobicContact CD2-CB 3.9Å; L49-A81 HydrophobicContact CD2-CB 3.77Å |
| 50 | L | 92 | Very high | 90.4 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | -179.8 | -171.6 | 55.1 | 0 | 0 | 0 | 111.4 | A18 H19 Y22 C34 G46 V47 S52 S53 I54 | A18-L50 HydrophobicContact CB-CD2 4.14Å; H19-L50 HydrophobicContact CB-CD2 4.44Å; Y22-L50 HydrophobicContact CD1-CD1 3.98Å; Y22-L50 HydrophobicContact CD2-CD1 4.15Å; Y22-L50 HydrophobicContact CG-CD1 3.73Å; C34-L50 WeakPolarHBondContact SG-CD2 3.35Å; G46-L50 WeakPolarHBondContact O-CB 3.44Å; G46-L50 PolarHBondContact O-N 3.29Å; G46-L50 VanDerWaalsContact O-N 3.08Å; V47-L50 PolarHBondContact O-N 3.47Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3Å; L50-S53 PolarHBondContact O-N 2.84Å; L50-I54 HydrophobicContact CD1-CD1 4.37Å; L50-I54 HydrophobicContact CD1-CG1 4.48Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 WeakPolarHBondContact O-CB 3.13Å; L50-I54 WeakPolarHBondContact O-CD1 3.26Å; L50-I54 VanDerWaalsContact O-CG1 3.22Å; L50-I54 WeakPolarHBondContact O-CG1 3.37Å; L50-I54 PolarHBondContact O-N 3.43Å |
| 51 | L | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 171.6 | -77 | 169.5 | 0 | 0 | 0 | 111.8 | E31 C34 M35 W38 V47 S53 I54 H55 F67 | E31-L51 HydrophobicContact CG-CD2 4.43Å; C34-L51 HydrophobicContact CB-CD1 4.39Å; C34-L51 HydrophobicContact CB-CD2 3.46Å; C34-L51 VanDerWaalsContact CB-CD2 3.46Å; C34-L51 HydrophobicContact CB-CG 3.69Å; M35-L51 HydrophobicContact CG-CD2 4.08Å; M35-L51 HydrophobicContact SD-CD1 4.32Å; M35-L51 HydrophobicContact SD-CD2 4.25Å; W38-L51 HydrophobicContact CB-CD1 4.13Å; W38-L51 HydrophobicContact CD2-CD1 4.48Å; W38-L51 HydrophobicContact CG-CD1 4.26Å; V47-L51 HydrophobicContact CG1-CD1 4.1Å; V47-L51 HydrophobicContact CG1-CG 4.46Å; V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 3.21Å; L51-S53 PolarHBondContact O-N 2.86Å; L51-I54 PolarHBondContact O-N 3.1Å; L51-H55 WeakPolarHBondContact O-CB 3.06Å; L51-H55 PolarHBondContact O-CD2 2.96Å; L51-H55 PolarHBondContact O-N 3.49Å; L51-F67 HydrophobicContact CB-CB 4.22Å; L51-F67 HydrophobicContact CB-CD1 4.16Å; L51-F67 HydrophobicContact CB-CD2 4.01Å; L51-F67 HydrophobicContact CB-CE2 4.42Å; L51-F67 HydrophobicContact CB-CG 3.87Å; L51-F67 HydrophobicContact CD1-CD1 3.95Å; L51-F67 HydrophobicContact CD1-CE1 3.76Å; L51-F67 HydrophobicContact CD1-CG 4.49Å; L51-F67 HydrophobicContact CD1-CZ 4.15Å |
| 52 | S | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | L48 L49 L50 H55 F56 S64 S68 | L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 3.38Å; L49-S52 WeakPolarHBondContact O-CB 3.42Å; L49-S52 PolarHBondContact O-N 3.4Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3Å; S52-H55 PolarHBondContact O-N 3.18Å; S52-F56 WeakPolarHBondContact O-CB 3.39Å; S52-F56 PolarHBondContact O-N 3.13Å; S52-S64 WeakPolarHBondContact O-CB 3.24Å; S52-S64 PolarHBondContact O-OG 3.26Å; S52-S64 PolarHBondContact OG-O 2.98Å; S52-S64 VanDerWaalsContact OG-O 3.12Å; S52-S64 PolarHBondContact OG-OG 3.45Å; S52-S68 PolarHBondContact OG-OG 3.07Å |
| 53 | S | 92.9 | Very high | 91.4 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 179.2 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | L49 L50 L51 H55 F56 Q57 N84 | L49-S53 PolarHBondContact O-N 2.96Å; L49-S53 PolarHBondContact O-OG 2.85Å; L50-S53 PolarHBondContact O-N 2.84Å; L51-S53 PolarHBondContact O-N 2.86Å; S53-H55 PolarHBondContact O-N 2.71Å; S53-F56 WeakPolarHBondContact O-CB 3.42Å; S53-F56 PolarHBondContact O-N 3.22Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 3.23Å; S53-N84 PolarHBondContact OG-ND2 3.36Å |
| 54 | I | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -50.2 | 174.9 | -71.6 | 161.3 | 0 | 0 | 0 | 110.4 | Y22 F27 A30 E31 L50 L51 F56 Q57 C58 | Y22-I54 HydrophobicContact CD2-CG1 3.56Å; Y22-I54 HydrophobicContact CE2-CG1 4.17Å; Y22-I54 HydrophobicContact CG-CG1 4.44Å; F27-I54 HydrophobicContact CB-CG2 4.15Å; F27-I54 WeakPolarHBondContact O-CG2 3.39Å; A30-I54 HydrophobicContact CB-CD1 3.68Å; A30-I54 HydrophobicContact CB-CG1 4.25Å; E31-I54 HydrophobicContact CB-CG2 4.05Å; L50-I54 HydrophobicContact CD1-CD1 4.37Å; L50-I54 HydrophobicContact CD1-CG1 4.48Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 WeakPolarHBondContact O-CB 3.13Å; L50-I54 WeakPolarHBondContact O-CD1 3.26Å; L50-I54 VanDerWaalsContact O-CG1 3.22Å; L50-I54 WeakPolarHBondContact O-CG1 3.37Å; L50-I54 PolarHBondContact O-N 3.43Å; L51-I54 PolarHBondContact O-N 3.1Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 3.23Å; I54-Q57 PolarHBondContact O-N 3.2Å; I54-C58 PolarHBondContact O-N 2.99Å; I54-C58 PolarHBondContact O-SG 3.19Å |
| 55 | H | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -33.1 | 179.5 | -79.1 | -58.5 | 0 | 0 | 0 | 113.1 | E31 L51 S52 S53 C58 R59 R60 R63 F67 | E31-H55 IonicContact OE1-CE1 3.15Å; E31-H55 PolarHBondContact OE1-CE1 2.88Å; E31-H55 IonicContact OE1-NE2 3.35Å; E31-H55 IonicContact OE2-CE1 3.32Å; L51-H55 WeakPolarHBondContact O-CB 3.06Å; L51-H55 PolarHBondContact O-CD2 2.96Å; L51-H55 PolarHBondContact O-N 3.49Å; S52-H55 PolarHBondContact O-N 3.18Å; S53-H55 PolarHBondContact O-N 2.71Å; H55-C58 PolarHBondContact O-N 3.29Å; H55-R59 PolarHBondContact O-N 3.01Å; H55-R60 HydrophobicContact CB-CB 4.36Å; H55-R60 VanDerWaalsContact CE1-CZ 3.46Å; H55-R60 PolarHBondContact CE1-NH1 2.88Å; H55-R60 PolarHBondContact ND1-NE 2.91Å; H55-R60 PolarHBondContact ND1-NH2 3.34Å; H55-R60 WeakPolarHBondContact O-CA 3.45Å; H55-R60 PolarHBondContact O-N 3.44Å; H55-R63 HydrophobicContact CB-CB 4.09Å; H55-R63 VanDerWaalsContact CE1-CD 3.41Å; H55-R63 WeakPolarHBondContact CE1-CD 3.24Å; H55-F67 AromaticContact CD2-CD2 3.48Å; H55-F67 VanDerWaalsContact CD2-CD2 3.48Å; H55-F67 WeakPolarHBondContact CD2-CD2 3.4Å; H55-F67 AromaticContact CD2-CE2 3.47Å; H55-F67 VanDerWaalsContact CD2-CE2 3.47Å; H55-F67 WeakPolarHBondContact CD2-CE2 3.35Å; H55-F67 AromaticContact NE2-CD2 3.94Å; H55-F67 AromaticContact NE2-CE2 3.4Å; H55-F67 WeakPolarHBondContact NE2-CE2 3.27Å |
| 56 | F | 92.9 | Very high | 92.3 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 20% | 0.202 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 172.9 | -173.4 | -96.9 | 0 | 0 | 0 | 111.2 | S52 S53 I54 C58 R59 L61 N87 V88 E91 | S52-F56 WeakPolarHBondContact O-CB 3.39Å; S52-F56 PolarHBondContact O-N 3.13Å; S53-F56 WeakPolarHBondContact O-CB 3.42Å; S53-F56 PolarHBondContact O-N 3.22Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 3.23Å; F56-C58 VanDerWaalsContact C-N 3.28Å; F56-C58 PolarHBondContact O-N 3.23Å; F56-R59 WeakPolarHBondContact O-CA 3.36Å; F56-R59 PolarHBondContact O-N 3.16Å; F56-L61 HydrophobicContact CD2-CD2 3.99Å; F56-L61 HydrophobicContact CE2-CD2 4.09Å; F56-N87 HydrophobicContact CD2-CB 4.33Å; F56-N87 HydrophobicContact CE1-CB 4.5Å; F56-N87 HydrophobicContact CE2-CB 3.7Å; F56-N87 HydrophobicContact CZ-CB 3.8Å; F56-V88 HydrophobicContact CD2-CG2 3.91Å; F56-V88 HydrophobicContact CE2-CG2 4.39Å; F56-E91 HydrophobicContact CE2-CB 4.48Å; F56-E91 HydrophobicContact CE2-CG 3.7Å; F56-E91 HydrophobicContact CZ-CG 3.59Å |
| 57 | Q | 91.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 46 Ų | 46 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -36.3 | 177.7 | -66.3 | -59.6 | -21.1 | 0 | 0 | 112.5 | Y22 F27 S53 I54 R59 | Y22-Q57 HydrophobicContact CE2-CG 3.93Å; F27-Q57 HydrophobicContact CD1-CB 4.13Å; F27-Q57 HydrophobicContact CD2-CB 4.33Å; F27-Q57 HydrophobicContact CE1-CB 3.72Å; F27-Q57 HydrophobicContact CE1-CG 3.83Å; F27-Q57 HydrophobicContact CE2-CB 3.92Å; F27-Q57 HydrophobicContact CG-CB 4.43Å; F27-Q57 HydrophobicContact CZ-CB 3.6Å; F27-Q57 HydrophobicContact CZ-CG 3.88Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 3.23Å; I54-Q57 PolarHBondContact O-N 3.2Å; Q57-R59 PolarHBondContact O-N 3.39Å |
| 58 | C | 90.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 32% | 0.318 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 8.5 | 174 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | F27 I54 H55 F56 R60 | F27-C58 VanDerWaalsContact CB-SG 3.56Å; I54-C58 PolarHBondContact O-N 2.99Å; I54-C58 PolarHBondContact O-SG 3.19Å; H55-C58 PolarHBondContact O-N 3.29Å; F56-C58 VanDerWaalsContact C-N 3.28Å; F56-C58 PolarHBondContact O-N 3.23Å; C58-R60 HydrophobicContact CB-CG 4.38Å; C58-R60 PolarHBondContact O-N 2.79Å; C58-R60 VanDerWaalsContact O-N 3.13Å; C58-R60 PolarHBondContact SG-NH2 3.22Å |
| 59 | R | 89.7 | Confident | 92.7 | Very high | 211 Ų | 211 | 49.2 Ų | 49.2 | 80% | 0.796 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 23.8 | -174.2 | -60 | -165.4 | 174.9 | -139.7 | -1.2 | 115.2 | H55 F56 Q57 L61 | H55-R59 PolarHBondContact O-N 3.01Å; F56-R59 WeakPolarHBondContact O-CA 3.36Å; F56-R59 PolarHBondContact O-N 3.16Å; Q57-R59 PolarHBondContact O-N 3.39Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 2.89Å |
| 60 | R | 92.9 | Very high | 92.8 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | trans | -92.2 | 66.7 | 175.2 | -69.7 | 178 | -73.5 | 169.2 | 0.2 | 109.9 | E31 H55 C58 D62 R63 S64 | E31-R60 IonicContact OE1-CZ 3.34Å; E31-R60 IonicContact OE1-NH1 3.91Å; E31-R60 PolarHBondContact OE1-NH1 3.35Å; E31-R60 VanDerWaalsContact OE1-NH1 3.14Å; E31-R60 IonicContact OE2-CZ 3.28Å; E31-R60 IonicContact OE2-NH1 3.3Å; E31-R60 PolarHBondContact OE2-NH1 3.33Å; E31-R60 IonicContact OE2-NH2 3.12Å; E31-R60 PolarHBondContact OE2-NH2 3.02Å; H55-R60 HydrophobicContact CB-CB 4.36Å; H55-R60 VanDerWaalsContact CE1-CZ 3.46Å; H55-R60 PolarHBondContact CE1-NH1 2.88Å; H55-R60 PolarHBondContact ND1-NE 2.91Å; H55-R60 PolarHBondContact ND1-NH2 3.34Å; H55-R60 WeakPolarHBondContact O-CA 3.45Å; H55-R60 PolarHBondContact O-N 3.44Å; C58-R60 HydrophobicContact CB-CG 4.38Å; C58-R60 PolarHBondContact O-N 2.79Å; C58-R60 VanDerWaalsContact O-N 3.13Å; C58-R60 PolarHBondContact SG-NH2 3.22Å; R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 3.42Å; R60-R63 PolarHBondContact O-N 3.3Å; R60-S64 PolarHBondContact O-N 3.25Å; R60-S64 VanDerWaalsContact O-N 3.08Å | ||
| 61 | L | 92.3 | Very high | 92.8 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.5 | -39.3 | -169.5 | -63.1 | -176.6 | 0 | 0 | 0 | 114 | F56 R59 R63 S64 A65 V88 E91 R92 | F56-L61 HydrophobicContact CD2-CD2 3.99Å; F56-L61 HydrophobicContact CE2-CD2 4.09Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 2.89Å; L61-R63 PolarHBondContact O-N 3.03Å; L61-S64 WeakPolarHBondContact O-CB 3.5Å; L61-S64 PolarHBondContact O-N 2.89Å; L61-A65 PolarHBondContact O-N 2.99Å; L61-V88 HydrophobicContact CB-CG1 4.01Å; L61-V88 HydrophobicContact CD2-CG1 4.43Å; L61-E91 HydrophobicContact CD1-CB 4.12Å; L61-E91 HydrophobicContact CD2-CB 4.29Å; L61-R92 HydrophobicContact CD1-CG 3.94Å |
| 62 | D | 92.3 | Very high | 92.7 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 65% | 0.652 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.4 | -41.2 | -179.9 | -59.7 | -30.4 | 0 | 0 | 0 | 112.6 | R60 H66 R92 | R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 3.42Å; D62-H66 WeakPolarHBondContact O-CB 3.31Å; D62-H66 PolarHBondContact O-N 2.79Å; D62-R92 IonicContact OD1-CZ 2.71Å; D62-R92 IonicContact OD1-NH2 2.71Å; D62-R92 PolarHBondContact OD1-NH2 3.02Å |
| 63 | R | 93.1 | Very high | 92.6 | Very high | 123 Ų | 123 | 58.5 Ų | 58.5 | 46% | 0.464 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.8 | -39.4 | 175.7 | -73.6 | -164.1 | 178.6 | -174.2 | 2.5 | 111.3 | E31 H55 R60 L61 H66 F67 | E31-R63 IonicContact OE1-NH1 2.93Å; E31-R63 PolarHBondContact OE1-NH1 3.46Å; H55-R63 HydrophobicContact CB-CB 4.09Å; H55-R63 VanDerWaalsContact CE1-CD 3.41Å; H55-R63 WeakPolarHBondContact CE1-CD 3.24Å; R60-R63 PolarHBondContact O-N 3.3Å; L61-R63 PolarHBondContact O-N 3.03Å; R63-H66 WeakPolarHBondContact O-CB 3.4Å; R63-H66 PolarHBondContact O-N 3.07Å; R63-F67 HydrophobicContact CB-CE2 4.44Å; R63-F67 WeakPolarHBondContact O-CD2 3.47Å; R63-F67 PolarHBondContact O-N 3.5Å |
| 64 | S | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | S52 R60 L61 H66 F67 S68 V88 | S52-S64 WeakPolarHBondContact O-CB 3.24Å; S52-S64 PolarHBondContact O-OG 3.26Å; S52-S64 PolarHBondContact OG-O 2.98Å; S52-S64 VanDerWaalsContact OG-O 3.12Å; S52-S64 PolarHBondContact OG-OG 3.45Å; R60-S64 PolarHBondContact O-N 3.25Å; R60-S64 VanDerWaalsContact O-N 3.08Å; L61-S64 WeakPolarHBondContact O-CB 3.5Å; L61-S64 PolarHBondContact O-N 2.89Å; S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.82Å; S64-F67 PolarHBondContact O-N 2.76Å; S64-S68 WeakPolarHBondContact O-CB 3.38Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 3.22Å; S64-V88 WeakPolarHBondContact OG-CG2 3.33Å |
| 65 | A | 93.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 S68 T69 L85 V88 | L61-A65 PolarHBondContact O-N 2.99Å; A65-S68 PolarHBondContact O-N 3.27Å; A65-T69 WeakPolarHBondContact O-CB 3.45Å; A65-T69 PolarHBondContact O-N 2.79Å; A65-T69 PolarHBondContact O-OG1 3.1Å; A65-L85 HydrophobicContact CB-CD1 3.75Å; A65-V88 HydrophobicContact CB-CG1 4.14Å |
| 66 | H | 93.8 | Very high | 92.2 | Very high | 101 Ų | 101 | 67.9 Ų | 67.9 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -50.9 | 177.5 | -178.3 | 69.4 | 0 | 0 | 0 | 112.1 | D62 R63 S64 T69 L70 | D62-H66 WeakPolarHBondContact O-CB 3.31Å; D62-H66 PolarHBondContact O-N 2.79Å; R63-H66 WeakPolarHBondContact O-CB 3.4Å; R63-H66 PolarHBondContact O-N 3.07Å; S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.82Å; H66-T69 PolarHBondContact O-N 3.38Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.37Å; H66-L70 WeakPolarHBondContact O-CG 3.43Å; H66-L70 PolarHBondContact O-N 3.48Å |
| 67 | F | 93.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.9 | -35.1 | -179.8 | -71.5 | -66.4 | 0 | 0 | 0 | 112.9 | M35 W38 L48 L51 H55 R63 S64 T69 L70 A71 | M35-F67 HydrophobicContact CE-CZ 4.08Å; M35-F67 HydrophobicContact SD-CZ 4.17Å; W38-F67 HydrophobicContact CD2-CE1 4.25Å; W38-F67 HydrophobicContact CE3-CE1 4Å; W38-F67 HydrophobicContact CE3-CZ 4.49Å; W38-F67 AromaticContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CZ2-CE1 4.13Å; W38-F67 AromaticContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CZ 4.16Å; L48-F67 HydrophobicContact CD2-CD1 3.88Å; L51-F67 HydrophobicContact CB-CB 4.22Å; L51-F67 HydrophobicContact CB-CD1 4.16Å; L51-F67 HydrophobicContact CB-CD2 4.01Å; L51-F67 HydrophobicContact CB-CE2 4.42Å; L51-F67 HydrophobicContact CB-CG 3.87Å; L51-F67 HydrophobicContact CD1-CD1 3.95Å; L51-F67 HydrophobicContact CD1-CE1 3.76Å; L51-F67 HydrophobicContact CD1-CG 4.49Å; L51-F67 HydrophobicContact CD1-CZ 4.15Å; H55-F67 AromaticContact CD2-CD2 3.48Å; H55-F67 VanDerWaalsContact CD2-CD2 3.48Å; H55-F67 WeakPolarHBondContact CD2-CD2 3.4Å; H55-F67 AromaticContact CD2-CE2 3.47Å; H55-F67 VanDerWaalsContact CD2-CE2 3.47Å; H55-F67 WeakPolarHBondContact CD2-CE2 3.35Å; H55-F67 AromaticContact NE2-CD2 3.94Å; H55-F67 AromaticContact NE2-CE2 3.4Å; H55-F67 WeakPolarHBondContact NE2-CE2 3.27Å; R63-F67 HydrophobicContact CB-CE2 4.44Å; R63-F67 WeakPolarHBondContact O-CD2 3.47Å; R63-F67 PolarHBondContact O-N 3.5Å; S64-F67 PolarHBondContact O-N 2.76Å; F67-T69 VanDerWaalsContact C-N 3.32Å; F67-T69 PolarHBondContact O-N 3.47Å; F67-L70 HydrophobicContact CD1-CD1 4.08Å; F67-L70 HydrophobicContact CE1-CD1 4.41Å; F67-L70 PolarHBondContact O-N 2.98Å; F67-A71 WeakPolarHBondContact O-CB 3.39Å; F67-A71 PolarHBondContact O-N 3.26Å |
| 68 | S | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 169.1 | -80 | 0 | 0 | 0 | 0 | 112 | S52 S64 A65 A71 I72 N84 | S52-S68 PolarHBondContact OG-OG 3.07Å; S64-S68 WeakPolarHBondContact O-CB 3.38Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 3.22Å; A65-S68 PolarHBondContact O-N 3.27Å; S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 3.31Å; S68-I72 VanDerWaalsContact O-CG1 3.31Å; S68-I72 WeakPolarHBondContact O-CG1 3.46Å; S68-I72 PolarHBondContact O-N 3.07Å; S68-N84 WeakPolarHBondContact OG-CB 3.47Å |
| 69 | T | 93.6 | Very high | 92 | Very high | 75 Ų | 75 | 66.2 Ų | 66.2 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 178.5 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | A65 H66 F67 I72 K73 | A65-T69 WeakPolarHBondContact O-CB 3.45Å; A65-T69 PolarHBondContact O-N 2.79Å; A65-T69 PolarHBondContact O-OG1 3.1Å; H66-T69 PolarHBondContact O-N 3.38Å; F67-T69 VanDerWaalsContact C-N 3.32Å; F67-T69 PolarHBondContact O-N 3.47Å; T69-I72 PolarHBondContact O-N 3.26Å; T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 PolarHBondContact O-N 3.25Å |
| 70 | L | 92.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 172.5 | -72.5 | 175.3 | 0 | 0 | 0 | 111.5 | W38 L48 H66 F67 I72 K73 Q74 | W38-L70 HydrophobicContact CH2-CD1 4.48Å; W38-L70 HydrophobicContact CZ2-CD1 3.89Å; L48-L70 HydrophobicContact CD1-CB 4.22Å; L48-L70 HydrophobicContact CD2-CB 4.06Å; L48-L70 HydrophobicContact CD2-CD1 4.33Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.37Å; H66-L70 WeakPolarHBondContact O-CG 3.43Å; H66-L70 PolarHBondContact O-N 3.48Å; F67-L70 HydrophobicContact CD1-CD1 4.08Å; F67-L70 HydrophobicContact CE1-CD1 4.41Å; F67-L70 PolarHBondContact O-N 2.98Å; L70-I72 PolarHBondContact O-N 3.39Å; L70-K73 PolarHBondContact O-N 3.49Å; L70-Q74 PolarHBondContact O-N 3.04Å |
| 71 | A | 91.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L48 F67 S68 Q74 N75 L78 A81 | L48-A71 HydrophobicContact CB-CB 3.84Å; L48-A71 HydrophobicContact CD1-CB 4.36Å; F67-A71 WeakPolarHBondContact O-CB 3.39Å; F67-A71 PolarHBondContact O-N 3.26Å; S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 3.31Å; A71-Q74 PolarHBondContact O-N 3.25Å; A71-N75 PolarHBondContact O-N 3Å; A71-L78 HydrophobicContact CB-CD2 4.14Å; A71-A81 HydrophobicContact CB-CB 3.85Å |
| 72 | I | 92.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.7 | -68.5 | 164 | 0 | 0 | 0 | 111.1 | S68 T69 L70 Q74 N75 P76 A81 Y82 L85 | S68-I72 VanDerWaalsContact O-CG1 3.31Å; S68-I72 WeakPolarHBondContact O-CG1 3.46Å; S68-I72 PolarHBondContact O-N 3.07Å; T69-I72 PolarHBondContact O-N 3.26Å; L70-I72 PolarHBondContact O-N 3.39Å; I72-Q74 VanDerWaalsContact C-N 3.26Å; I72-Q74 PolarHBondContact O-N 3.11Å; I72-N75 CarbonylContact O-C 3.56Å; I72-N75 PolarHBondContact O-N 2.87Å; I72-P76 WeakPolarHBondContact O-CA 3.44Å; I72-P76 WeakPolarHBondContact O-CD 3.49Å; I72-P76 VanDerWaalsContact O-N 3.09Å; I72-A81 HydrophobicContact CD1-CB 4.32Å; I72-A81 HydrophobicContact CG1-CB 3.67Å; I72-Y82 HydrophobicContact CD1-CD1 3.87Å; I72-Y82 HydrophobicContact CD1-CD2 4.4Å; I72-Y82 HydrophobicContact CD1-CE1 3.92Å; I72-Y82 HydrophobicContact CD1-CE2 4.43Å; I72-Y82 HydrophobicContact CD1-CG 4.14Å; I72-Y82 HydrophobicContact CG1-CD2 4.23Å; I72-Y82 HydrophobicContact CG1-CE1 4.34Å; I72-Y82 HydrophobicContact CG1-CE2 4.05Å; I72-Y82 HydrophobicContact CG1-CG 4.46Å; I72-Y82 HydrophobicContact CG2-CE1 4.19Å; I72-Y82 HydrophobicContact CG2-CE2 4.2Å; I72-Y82 WeakPolarHBondContact CG2-OH 3.22Å; I72-L85 HydrophobicContact CD1-CD2 4.08Å |
| 73 | K | 91.7 | Very high | 92.3 | Very high | 170 Ų | 170 | 48.7 Ų | 48.7 | 74% | 0.739 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.5 | -37.5 | 179.1 | -171.1 | 179.8 | 179.1 | -175.2 | 0 | 111.5 | T69 L70 | T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 PolarHBondContact O-N 3.25Å; L70-K73 PolarHBondContact O-N 3.49Å |
| 74 | Q | 89.9 | Confident | 92.3 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -77.6 | -39.3 | 179.2 | -167.3 | 61.6 | 14.9 | 0 | 0 | 112.7 | D43 T45 L70 A71 I72 | D43-Q74 HydrophobicContact CB-CG 4.25Å; D43-Q74 VanDerWaalsContact CB-NE2 3.28Å; D43-Q74 WeakPolarHBondContact O-CG 3.44Å; D43-Q74 PolarHBondContact OD2-NE2 3.37Å; T45-Q74 HydrophobicContact CG2-CB 4Å; T45-Q74 HydrophobicContact CG2-CG 3.92Å; L70-Q74 PolarHBondContact O-N 3.04Å; A71-Q74 PolarHBondContact O-N 3.25Å; I72-Q74 VanDerWaalsContact C-N 3.26Å; I72-Q74 PolarHBondContact O-N 3.11Å |
| 75 | N | 89.1 | Confident | 92.3 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | trans | -138.1 | 99.2 | 174 | -176.3 | -1 | 0 | 0 | 0 | 111 | T45 A71 I72 L77 L78 | T45-N75 HydrophobicContact CG2-CB 3.91Å; A71-N75 PolarHBondContact O-N 3Å; I72-N75 CarbonylContact O-C 3.56Å; I72-N75 PolarHBondContact O-N 2.87Å; N75-L77 PolarHBondContact O-N 2.96Å; N75-L77 VanDerWaalsContact O-N 3.1Å; N75-L77 WeakPolarHBondContact OD1-CB 3.11Å; N75-L77 PolarHBondContact OD1-N 3.16Å; N75-L78 HydrophobicContact CB-CB 4.28Å; N75-L78 HydrophobicContact CB-CD1 4.3Å; N75-L78 VanDerWaalsContact O-CB 3.28Å; N75-L78 WeakPolarHBondContact O-CB 3.48Å; N75-L78 PolarHBondContact O-N 3.29Å | ||
| 76 | P | 91 | Very high | 92.3 | Very high | 77 Ų | 77 | 44 Ų | 44 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -12 | 179.5 | -24.9 | 35 | 0 | 0 | 0 | 115.2 | I72 Y82 | I72-P76 WeakPolarHBondContact O-CA 3.44Å; I72-P76 WeakPolarHBondContact O-CD 3.49Å; I72-P76 VanDerWaalsContact O-N 3.09Å; P76-Y82 WeakPolarHBondContact O-CE2 3.39Å; P76-Y82 PolarHBondContact O-OH 2.91Å |
| 77 | L | 90.6 | Very high | 92.3 | Very high | 130 Ų | 130 | 40.1 Ų | 40.1 | 68% | 0.681 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3.7 | 179.4 | -61.4 | 175 | 0 | 0 | 0 | 113.2 | N75 A79 L108 | N75-L77 PolarHBondContact O-N 2.96Å; N75-L77 VanDerWaalsContact O-N 3.1Å; N75-L77 WeakPolarHBondContact OD1-CB 3.11Å; N75-L77 PolarHBondContact OD1-N 3.16Å; L77-A79 PolarHBondContact O-N 2.9Å; L77-A79 VanDerWaalsContact O-N 3.16Å; L77-L108 HydrophobicContact CD2-CD2 3.88Å |
| 78 | L | 90 | Very high | 92.3 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | trans | -82.9 | 91.7 | -173.9 | -153.2 | 100.1 | 0 | 0 | 0 | 111.6 | L49 A71 N75 E80 A81 Y82 | L49-L78 HydrophobicContact CD1-CD2 3.52Å; L49-L78 HydrophobicContact CD1-CG 4.26Å; L49-L78 HydrophobicContact CD2-CD2 3.68Å; L49-L78 HydrophobicContact CG-CD2 3.55Å; A71-L78 HydrophobicContact CB-CD2 4.14Å; N75-L78 HydrophobicContact CB-CB 4.28Å; N75-L78 HydrophobicContact CB-CD1 4.3Å; N75-L78 VanDerWaalsContact O-CB 3.28Å; N75-L78 WeakPolarHBondContact O-CB 3.48Å; N75-L78 PolarHBondContact O-N 3.29Å; L78-E80 VanDerWaalsContact C-N 3.27Å; L78-E80 PolarHBondContact O-N 3.02Å; L78-A81 HydrophobicContact CD2-CB 3.73Å; L78-A81 PolarHBondContact O-N 2.93Å; L78-A81 VanDerWaalsContact O-N 3.17Å; L78-Y82 WeakPolarHBondContact O-CD2 3.45Å | ||
| 79 | A | 91.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.7 | -38.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L77 A81 Y82 S83 A105 L108 K109 | L77-A79 PolarHBondContact O-N 2.9Å; L77-A79 VanDerWaalsContact O-N 3.16Å; A79-A81 VanDerWaalsContact C-N 3.25Å; A79-A81 PolarHBondContact O-N 3.43Å; A79-Y82 PolarHBondContact O-N 3.02Å; A79-S83 PolarHBondContact O-N 3.45Å; A79-A105 HydrophobicContact CB-CB 4.38Å; A79-A105 WeakPolarHBondContact CB-O 3.48Å; A79-A105 WeakPolarHBondContact O-CB 3.4Å; A79-L108 HydrophobicContact CB-CB 4.1Å; A79-K109 HydrophobicContact CB-CB 3.5Å; A79-K109 VanDerWaalsContact CB-CB 3.5Å; A79-K109 HydrophobicContact CB-CD 4.22Å |
| 80 | E | 91.8 | Very high | 92.3 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.2 | -33.7 | -179.5 | -65.5 | 79.4 | -175.4 | 0 | 0 | 112.2 | L49 L78 S83 N84 K109 F112 | L49-E80 HydrophobicContact CD1-CB 3.84Å; L49-E80 HydrophobicContact CD2-CB 3.9Å; L78-E80 VanDerWaalsContact C-N 3.27Å; L78-E80 PolarHBondContact O-N 3.02Å; E80-S83 PolarHBondContact O-N 3.36Å; E80-N84 WeakPolarHBondContact O-CB 3.36Å; E80-N84 PolarHBondContact O-N 2.95Å; E80-K109 IonicContact OE1-NZ 3.2Å; E80-K109 PolarHBondContact OE1-NZ 3.39Å; E80-F112 HydrophobicContact CG-CE2 4.43Å |
| 81 | A | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.4 | -38.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L49 A71 I72 L78 A79 S83 N84 L85 | L49-A81 HydrophobicContact CD2-CB 3.77Å; A71-A81 HydrophobicContact CB-CB 3.85Å; I72-A81 HydrophobicContact CD1-CB 4.32Å; I72-A81 HydrophobicContact CG1-CB 3.67Å; L78-A81 HydrophobicContact CD2-CB 3.73Å; L78-A81 PolarHBondContact O-N 2.93Å; L78-A81 VanDerWaalsContact O-N 3.17Å; A79-A81 VanDerWaalsContact C-N 3.25Å; A79-A81 PolarHBondContact O-N 3.43Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-N84 PolarHBondContact O-N 3.14Å; A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 PolarHBondContact O-N 3.06Å |
| 82 | Y | 95.4 | Very high | 92.2 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 172 | -70.9 | -83.3 | 0 | 0 | 0 | 111.3 | I72 P76 L78 A79 L85 G86 H101 H104 L108 | I72-Y82 HydrophobicContact CD1-CD1 3.87Å; I72-Y82 HydrophobicContact CD1-CD2 4.4Å; I72-Y82 HydrophobicContact CD1-CE1 3.92Å; I72-Y82 HydrophobicContact CD1-CE2 4.43Å; I72-Y82 HydrophobicContact CD1-CG 4.14Å; I72-Y82 HydrophobicContact CG1-CD2 4.23Å; I72-Y82 HydrophobicContact CG1-CE1 4.34Å; I72-Y82 HydrophobicContact CG1-CE2 4.05Å; I72-Y82 HydrophobicContact CG1-CG 4.46Å; I72-Y82 HydrophobicContact CG2-CE1 4.19Å; I72-Y82 HydrophobicContact CG2-CE2 4.2Å; I72-Y82 WeakPolarHBondContact CG2-OH 3.22Å; P76-Y82 WeakPolarHBondContact O-CE2 3.39Å; P76-Y82 PolarHBondContact O-OH 2.91Å; L78-Y82 WeakPolarHBondContact O-CD2 3.45Å; A79-Y82 PolarHBondContact O-N 3.02Å; Y82-L85 PolarHBondContact O-N 2.74Å; Y82-G86 PolarHBondContact O-N 2.96Å; Y82-H101 AromaticContact CD1-ND1 3.92Å; Y82-H104 HydrophobicContact CD1-CB 4.34Å; Y82-H104 AromaticContact CZ-CE1 3.96Å; Y82-L108 HydrophobicContact CD2-CD1 3.53Å; Y82-L108 HydrophobicContact CE2-CD1 3.41Å; Y82-L108 VanDerWaalsContact CE2-CD1 3.41Å |
| 83 | S | 93.7 | Very high | 92 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.9 | -168.2 | 0 | 0 | 0 | 0 | 112.9 | A79 E80 A81 L85 G86 N87 Y102 F112 | A79-S83 PolarHBondContact O-N 3.45Å; E80-S83 PolarHBondContact O-N 3.36Å; A81-S83 VanDerWaalsContact C-N 3.32Å; S83-L85 VanDerWaalsContact C-N 3.29Å; S83-L85 PolarHBondContact O-N 2.82Å; S83-G86 PolarHBondContact O-N 3.02Å; S83-N87 PolarHBondContact O-N 3.41Å; S83-Y102 WeakPolarHBondContact O-CE1 3.38Å; S83-F112 WeakPolarHBondContact OG-CE1 3.38Å |
| 84 | N | 92.8 | Very high | 92.1 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.3 | -81.3 | -6.5 | 0 | 0 | 0 | 111.3 | S53 S68 E80 A81 N87 V88 | S53-N84 PolarHBondContact OG-ND2 3.36Å; S68-N84 WeakPolarHBondContact OG-CB 3.47Å; E80-N84 WeakPolarHBondContact O-CB 3.36Å; E80-N84 PolarHBondContact O-N 2.95Å; A81-N84 PolarHBondContact O-N 3.14Å; N84-N87 WeakPolarHBondContact O-CB 3.4Å; N84-N87 PolarHBondContact O-N 2.96Å; N84-V88 WeakPolarHBondContact O-CG2 3.48Å; N84-V88 PolarHBondContact O-N 2.87Å; N84-V88 VanDerWaalsContact O-N 3.13Å |
| 85 | L | 93.8 | Very high | 92.2 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 175 | -165.9 | 64.1 | 0 | 0 | 0 | 111.8 | A65 I72 A81 Y82 S83 N87 V88 Y89 | A65-L85 HydrophobicContact CB-CD1 3.75Å; I72-L85 HydrophobicContact CD1-CD2 4.08Å; A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 PolarHBondContact O-N 3.06Å; Y82-L85 PolarHBondContact O-N 2.74Å; S83-L85 VanDerWaalsContact C-N 3.29Å; S83-L85 PolarHBondContact O-N 2.82Å; L85-N87 VanDerWaalsContact C-N 3.34Å; L85-N87 PolarHBondContact O-N 3.43Å; L85-V88 WeakPolarHBondContact O-CB 3.44Å; L85-V88 PolarHBondContact O-N 2.93Å; L85-V88 VanDerWaalsContact O-N 3.17Å; L85-Y89 HydrophobicContact CD1-CE2 4.11Å; L85-Y89 HydrophobicContact CD2-CE2 4.1Å; L85-Y89 HydrophobicContact CG-CD2 4.08Å; L85-Y89 HydrophobicContact CG-CE2 3.68Å; L85-Y89 WeakPolarHBondContact O-CD2 3.33Å; L85-Y89 PolarHBondContact O-N 2.88Å |
| 86 | G | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y82 S83 V88 Y89 K90 A98 Y102 | Y82-G86 PolarHBondContact O-N 2.96Å; S83-G86 PolarHBondContact O-N 3.02Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 3.16Å; G86-Y89 PolarHBondContact O-N 3.44Å; G86-K90 WeakPolarHBondContact O-CB 3.39Å; G86-K90 PolarHBondContact O-N 2.65Å; G86-A98 WeakPolarHBondContact O-CB 3.4Å; G86-Y102 VanDerWaalsContact C-CZ 3.41Å; G86-Y102 VanDerWaalsContact C-OH 3.29Å; G86-Y102 PolarHBondContact O-OH 3.13Å |
| 87 | N | 93.3 | Very high | 92.4 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 174.4 | -68.5 | -20.5 | 0 | 0 | 0 | 111.7 | F56 S83 N84 L85 K90 E91 Y102 | F56-N87 HydrophobicContact CD2-CB 4.33Å; F56-N87 HydrophobicContact CE1-CB 4.5Å; F56-N87 HydrophobicContact CE2-CB 3.7Å; F56-N87 HydrophobicContact CZ-CB 3.8Å; S83-N87 PolarHBondContact O-N 3.41Å; N84-N87 WeakPolarHBondContact O-CB 3.4Å; N84-N87 PolarHBondContact O-N 2.96Å; L85-N87 VanDerWaalsContact C-N 3.34Å; L85-N87 PolarHBondContact O-N 3.43Å; N87-K90 PolarHBondContact O-N 2.86Å; N87-E91 WeakPolarHBondContact O-CG 3.32Å; N87-E91 PolarHBondContact O-N 3.33Å; N87-Y102 WeakPolarHBondContact CA-OH 3.5Å; N87-Y102 PolarHBondContact N-OH 2.94Å; N87-Y102 VanDerWaalsContact N-OH 3.17Å; N87-Y102 WeakPolarHBondContact OD1-CE1 3.17Å; N87-Y102 PolarHBondContact OD1-OH 2.86Å |
| 88 | V | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | F56 L61 S64 A65 N84 L85 G86 K90 E91 R92 | F56-V88 HydrophobicContact CD2-CG2 3.91Å; F56-V88 HydrophobicContact CE2-CG2 4.39Å; L61-V88 HydrophobicContact CB-CG1 4.01Å; L61-V88 HydrophobicContact CD2-CG1 4.43Å; S64-V88 WeakPolarHBondContact OG-CG2 3.33Å; A65-V88 HydrophobicContact CB-CG1 4.14Å; N84-V88 WeakPolarHBondContact O-CG2 3.48Å; N84-V88 PolarHBondContact O-N 2.87Å; N84-V88 VanDerWaalsContact O-N 3.13Å; L85-V88 WeakPolarHBondContact O-CB 3.44Å; L85-V88 PolarHBondContact O-N 2.93Å; L85-V88 VanDerWaalsContact O-N 3.17Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 3.16Å; V88-K90 VanDerWaalsContact C-N 3.33Å; V88-K90 PolarHBondContact O-N 3.1Å; V88-E91 PolarHBondContact O-N 2.85Å; V88-R92 WeakPolarHBondContact O-CG 3.5Å; V88-R92 PolarHBondContact O-N 2.9Å; V88-R92 VanDerWaalsContact O-N 3.12Å |
| 89 | Y | 93.9 | Very high | 92.9 | Very high | 54 Ų | 54 | 38.3 Ų | 38.3 | 21% | 0.212 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 178.3 | -76.4 | -63 | 0 | 0 | 0 | 112.5 | L85 G86 R92 G93 Q94 E97 H101 | L85-Y89 HydrophobicContact CD1-CE2 4.11Å; L85-Y89 HydrophobicContact CD2-CE2 4.1Å; L85-Y89 HydrophobicContact CG-CD2 4.08Å; L85-Y89 HydrophobicContact CG-CE2 3.68Å; L85-Y89 WeakPolarHBondContact O-CD2 3.33Å; L85-Y89 PolarHBondContact O-N 2.88Å; G86-Y89 PolarHBondContact O-N 3.44Å; Y89-R92 PolarHBondContact O-N 3.18Å; Y89-G93 PolarHBondContact O-N 3.08Å; Y89-Q94 HydrophobicContact CD1-CB 3.96Å; Y89-Q94 HydrophobicContact CD1-CG 4.46Å; Y89-Q94 VanDerWaalsContact CD1-OE1 3.3Å; Y89-Q94 PolarHBondContact O-N 3.34Å; Y89-E97 HydrophobicContact CD1-CB 3.94Å; Y89-E97 HydrophobicContact CD2-CB 4.22Å; Y89-E97 HydrophobicContact CE1-CB 4.33Å; Y89-E97 HydrophobicContact CG-CB 3.88Å; Y89-H101 AromaticContact CD2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CD2-CD2 3.49Å; Y89-H101 AromaticContact CD2-NE2 3.79Å; Y89-H101 AromaticContact CE2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CE2-CD2 3.38Å; Y89-H101 AromaticContact CE2-NE2 3.22Å; Y89-H101 WeakPolarHBondContact CE2-NE2 3.48Å |
| 90 | K | 92.6 | Very high | 93 | Very high | 50 Ų | 50 | 44 Ų | 44 | 22% | 0.217 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 175.5 | -170.4 | -173.8 | 72 | -177.6 | 0 | 111.4 | G86 N87 V88 R92 G93 L95 A98 A122 | G86-K90 WeakPolarHBondContact O-CB 3.39Å; G86-K90 PolarHBondContact O-N 2.65Å; N87-K90 PolarHBondContact O-N 2.86Å; V88-K90 VanDerWaalsContact C-N 3.33Å; V88-K90 PolarHBondContact O-N 3.1Å; K90-R92 PolarHBondContact O-N 3.14Å; K90-G93 PolarHBondContact O-N 3.01Å; K90-L95 HydrophobicContact CG-CD2 4.33Å; K90-A98 HydrophobicContact CB-CB 3.97Å; K90-A122 HydrophobicContact CD-CB 4.41Å |
| 91 | E | 91 | Very high | 93.2 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 50% | 0.495 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.3 | -23.6 | 177.8 | -69.9 | -59 | 132.9 | 0 | 0 | 113.2 | F56 L61 N87 V88 G93 | F56-E91 HydrophobicContact CE2-CB 4.48Å; F56-E91 HydrophobicContact CE2-CG 3.7Å; F56-E91 HydrophobicContact CZ-CG 3.59Å; L61-E91 HydrophobicContact CD1-CB 4.12Å; L61-E91 HydrophobicContact CD2-CB 4.29Å; N87-E91 WeakPolarHBondContact O-CG 3.32Å; N87-E91 PolarHBondContact O-N 3.33Å; V88-E91 PolarHBondContact O-N 2.85Å; E91-G93 VanDerWaalsContact C-N 3.29Å |
| 92 | R | 91.1 | Very high | 93.3 | Very high | 93 Ų | 93 | 43.2 Ų | 43.2 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.4 | 171.9 | -70.5 | 179 | 177.2 | 168.5 | 0.6 | 113.8 | L61 D62 V88 Y89 K90 Q94 | L61-R92 HydrophobicContact CD1-CG 3.94Å; D62-R92 IonicContact OD1-CZ 2.71Å; D62-R92 IonicContact OD1-NH2 2.71Å; D62-R92 PolarHBondContact OD1-NH2 3.02Å; V88-R92 WeakPolarHBondContact O-CG 3.5Å; V88-R92 PolarHBondContact O-N 2.9Å; V88-R92 VanDerWaalsContact O-N 3.12Å; Y89-R92 PolarHBondContact O-N 3.18Å; K90-R92 PolarHBondContact O-N 3.14Å; R92-Q94 HydrophobicContact CB-CG 4.21Å; R92-Q94 PolarHBondContact O-N 3.3Å |
| 93 | G | 88.1 | Confident | 93.3 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y89 K90 E91 L95 | Y89-G93 PolarHBondContact O-N 3.08Å; K90-G93 PolarHBondContact O-N 3.01Å; E91-G93 VanDerWaalsContact C-N 3.29Å; G93-L95 VanDerWaalsContact C-N 3.28Å; G93-L95 PolarHBondContact O-N 3.01Å; G93-L95 VanDerWaalsContact O-N 3.07Å |
| 94 | Q | 93.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | trans | -85.6 | 70.8 | 177.2 | -64.6 | -175.5 | -86.4 | 0 | 0 | 109.6 | Y89 R92 Q96 E97 A98 | Y89-Q94 HydrophobicContact CD1-CB 3.96Å; Y89-Q94 HydrophobicContact CD1-CG 4.46Å; Y89-Q94 VanDerWaalsContact CD1-OE1 3.3Å; Y89-Q94 PolarHBondContact O-N 3.34Å; R92-Q94 HydrophobicContact CB-CG 4.21Å; R92-Q94 PolarHBondContact O-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.39Å; Q94-E97 HydrophobicContact CB-CB 4.43Å; Q94-E97 PolarHBondContact NE2-OE1 2.9Å; Q94-E97 VanDerWaalsContact NE2-OE1 3.09Å; Q94-A98 WeakPolarHBondContact O-CB 3.48Å; Q94-A98 PolarHBondContact O-N 2.92Å | ||
| 95 | L | 92.2 | Very high | 93.4 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -34.9 | -167.8 | -64.4 | 176.9 | 0 | 0 | 0 | 113.4 | K90 G93 A98 I99 A125 A126 | K90-L95 HydrophobicContact CG-CD2 4.33Å; G93-L95 VanDerWaalsContact C-N 3.28Å; G93-L95 PolarHBondContact O-N 3.01Å; G93-L95 VanDerWaalsContact O-N 3.07Å; L95-A98 PolarHBondContact O-N 2.8Å; L95-I99 WeakPolarHBondContact O-CB 3.48Å; L95-I99 WeakPolarHBondContact O-CD1 3.33Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 2.95Å; L95-A125 HydrophobicContact CD1-CB 4.03Å; L95-A125 HydrophobicContact CD2-CB 4.01Å; L95-A126 HydrophobicContact CB-CB 4.48Å; L95-A126 HydrophobicContact CD1-CB 4.23Å |
| 96 | Q | 92.6 | Very high | 93.4 | Very high | 116 Ų | 116 | 49 Ų | 49 | 54% | 0.542 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.3 | -46.2 | -179.5 | -73.1 | -62.5 | -18.9 | 0 | 0 | 111.5 | Q94 A98 I99 E100 | Q94-Q96 PolarHBondContact O-N 3.39Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.42Å; Q96-I99 PolarHBondContact O-N 3.04Å; Q96-E100 WeakPolarHBondContact O-CG 3.32Å; Q96-E100 PolarHBondContact O-N 3.26Å |
| 97 | E | 92.6 | Very high | 93.3 | Very high | 71 Ų | 71 | 57.1 Ų | 57.1 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.7 | -61.3 | 94.6 | 135.2 | 0 | 0 | 110.6 | Y89 Q94 E100 H101 | Y89-E97 HydrophobicContact CD1-CB 3.94Å; Y89-E97 HydrophobicContact CD2-CB 4.22Å; Y89-E97 HydrophobicContact CE1-CB 4.33Å; Y89-E97 HydrophobicContact CG-CB 3.88Å; Q94-E97 HydrophobicContact CB-CB 4.43Å; Q94-E97 PolarHBondContact NE2-OE1 2.9Å; Q94-E97 VanDerWaalsContact NE2-OE1 3.09Å; E97-E100 PolarHBondContact O-N 2.78Å; E97-H101 PolarHBondContact O-CD2 2.91Å; E97-H101 PolarHBondContact O-N 2.59Å |
| 98 | A | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.6 | -50 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | G86 K90 Q94 L95 Q96 E100 H101 Y102 | G86-A98 WeakPolarHBondContact O-CB 3.4Å; K90-A98 HydrophobicContact CB-CB 3.97Å; Q94-A98 WeakPolarHBondContact O-CB 3.48Å; Q94-A98 PolarHBondContact O-N 2.92Å; L95-A98 PolarHBondContact O-N 2.8Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.42Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 2.87Å; A98-H101 PolarHBondContact O-N 3Å; A98-Y102 HydrophobicContact CB-CD2 4.48Å; A98-Y102 HydrophobicContact CB-CE2 3.98Å; A98-Y102 WeakPolarHBondContact O-CD2 3.18Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 2.85Å |
| 99 | I | 95.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 178.6 | -72 | 162.1 | 0 | 0 | 0 | 111.2 | L95 Q96 Y102 R103 L119 A122 L123 A126 | L95-I99 WeakPolarHBondContact O-CB 3.48Å; L95-I99 WeakPolarHBondContact O-CD1 3.33Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 2.95Å; Q96-I99 PolarHBondContact O-N 3.04Å; I99-Y102 PolarHBondContact O-N 3.4Å; I99-R103 HydrophobicContact CG2-CG 4.43Å; I99-R103 WeakPolarHBondContact O-CB 3.21Å; I99-R103 WeakPolarHBondContact O-CG 3.22Å; I99-R103 PolarHBondContact O-N 2.84Å; I99-L119 HydrophobicContact CB-CD1 4.34Å; I99-L119 HydrophobicContact CG1-CD1 4.27Å; I99-L119 HydrophobicContact CG2-CD1 3.88Å; I99-A122 HydrophobicContact CG1-CB 3.9Å; I99-L123 HydrophobicContact CD1-CD2 3.81Å; I99-L123 HydrophobicContact CD1-CG 4.44Å; I99-L123 HydrophobicContact CG1-CD2 4.21Å; I99-L123 HydrophobicContact CG1-CG 4.49Å; I99-L123 HydrophobicContact CG2-CD2 4.35Å; I99-A126 HydrophobicContact CD1-CB 4.01Å |
| 100 | E | 95 | Very high | 93.1 | Very high | 123 Ų | 123 | 62.7 Ų | 62.7 | 58% | 0.575 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 177.5 | -75.6 | -175.6 | 177.2 | 0 | 0 | 111.9 | Q96 E97 A98 R103 H104 | Q96-E100 WeakPolarHBondContact O-CG 3.32Å; Q96-E100 PolarHBondContact O-N 3.26Å; E97-E100 PolarHBondContact O-N 2.78Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 2.87Å; E100-R103 PolarHBondContact O-N 3.09Å; E100-H104 WeakPolarHBondContact O-CB 3.49Å; E100-H104 PolarHBondContact O-N 3.3Å |
| 101 | H | 94.8 | Very high | 93 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 19% | 0.185 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 177.8 | -77.7 | -59.3 | 0 | 0 | 0 | 112.7 | Y82 Y89 E97 A98 H104 A105 | Y82-H101 AromaticContact CD1-ND1 3.92Å; Y89-H101 AromaticContact CD2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CD2-CD2 3.49Å; Y89-H101 AromaticContact CD2-NE2 3.79Å; Y89-H101 AromaticContact CE2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CE2-CD2 3.38Å; Y89-H101 AromaticContact CE2-NE2 3.22Å; Y89-H101 WeakPolarHBondContact CE2-NE2 3.48Å; E97-H101 PolarHBondContact O-CD2 2.91Å; E97-H101 PolarHBondContact O-N 2.59Å; A98-H101 PolarHBondContact O-N 3Å; H101-H104 PolarHBondContact O-N 3.01Å; H101-A105 PolarHBondContact O-N 3.23Å |
| 102 | Y | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 173.6 | -62.3 | -48.7 | 0 | 0 | 0 | 112.1 | S83 G86 N87 A98 I99 H104 A105 L106 N118 A122 | S83-Y102 WeakPolarHBondContact O-CE1 3.38Å; G86-Y102 VanDerWaalsContact C-CZ 3.41Å; G86-Y102 VanDerWaalsContact C-OH 3.29Å; G86-Y102 PolarHBondContact O-OH 3.13Å; N87-Y102 WeakPolarHBondContact CA-OH 3.5Å; N87-Y102 PolarHBondContact N-OH 2.94Å; N87-Y102 VanDerWaalsContact N-OH 3.17Å; N87-Y102 WeakPolarHBondContact OD1-CE1 3.17Å; N87-Y102 PolarHBondContact OD1-OH 2.86Å; A98-Y102 HydrophobicContact CB-CD2 4.48Å; A98-Y102 HydrophobicContact CB-CE2 3.98Å; A98-Y102 WeakPolarHBondContact O-CD2 3.18Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 2.85Å; I99-Y102 PolarHBondContact O-N 3.4Å; Y102-H104 PolarHBondContact O-N 3.12Å; Y102-A105 WeakPolarHBondContact O-CB 3.28Å; Y102-A105 PolarHBondContact O-N 2.99Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; Y102-L106 VanDerWaalsContact O-CG 3.31Å; Y102-L106 WeakPolarHBondContact O-CG 3.26Å; Y102-L106 PolarHBondContact O-N 3.5Å; Y102-N118 HydrophobicContact CD1-CB 3.99Å; Y102-N118 HydrophobicContact CE1-CB 3.53Å; Y102-N118 HydrophobicContact CE2-CB 4.12Å; Y102-N118 HydrophobicContact CG-CB 4.46Å; Y102-A122 HydrophobicContact CD2-CB 4.27Å; Y102-A122 HydrophobicContact CE2-CB 3.95Å |
| 103 | R | 95.1 | Very high | 93 | Very high | 111 Ų | 111 | 58.3 Ų | 58.3 | 42% | 0.419 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 174.4 | -75.3 | 176.4 | 177.1 | 159.6 | 0.8 | 111.3 | I99 E100 L106 R107 L119 | I99-R103 HydrophobicContact CG2-CG 4.43Å; I99-R103 WeakPolarHBondContact O-CB 3.21Å; I99-R103 WeakPolarHBondContact O-CG 3.22Å; I99-R103 PolarHBondContact O-N 2.84Å; E100-R103 PolarHBondContact O-N 3.09Å; R103-L106 PolarHBondContact O-N 3.29Å; R103-R107 WeakPolarHBondContact O-CG 3.31Å; R103-R107 PolarHBondContact O-N 2.99Å; R103-L119 HydrophobicContact CG-CD1 4.21Å; R103-L119 HydrophobicContact CG-CD2 4.22Å |
| 104 | H | 94.1 | Very high | 93 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.3 | -159.9 | -50.5 | 0 | 0 | 0 | 111.9 | Y82 E100 H101 Y102 L106 R107 L108 | Y82-H104 HydrophobicContact CD1-CB 4.34Å; Y82-H104 AromaticContact CZ-CE1 3.96Å; E100-H104 WeakPolarHBondContact O-CB 3.49Å; E100-H104 PolarHBondContact O-N 3.3Å; H101-H104 PolarHBondContact O-N 3.01Å; Y102-H104 PolarHBondContact O-N 3.12Å; H104-L106 VanDerWaalsContact C-N 3.31Å; H104-L106 PolarHBondContact O-N 2.93Å; H104-R107 PolarHBondContact CD2-NH2 3.48Å; H104-R107 PolarHBondContact O-N 3.42Å; H104-L108 WeakPolarHBondContact O-CG 3.41Å; H104-L108 PolarHBondContact O-N 3.37Å |
| 105 | A | 94 | Very high | 93 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | A79 H101 Y102 R107 L108 K109 F112 | A79-A105 HydrophobicContact CB-CB 4.38Å; A79-A105 WeakPolarHBondContact CB-O 3.48Å; A79-A105 WeakPolarHBondContact O-CB 3.4Å; H101-A105 PolarHBondContact O-N 3.23Å; Y102-A105 WeakPolarHBondContact O-CB 3.28Å; Y102-A105 PolarHBondContact O-N 2.99Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; A105-R107 PolarHBondContact O-N 3.43Å; A105-L108 PolarHBondContact O-N 2.89Å; A105-L108 VanDerWaalsContact O-N 3.16Å; A105-K109 PolarHBondContact O-N 3.34Å; A105-F112 HydrophobicContact CB-CD1 4.35Å |
| 106 | L | 93.7 | Very high | 93.2 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.5 | -30.8 | 179.2 | -68 | 170.9 | 0 | 0 | 0 | 113.5 | Y102 R103 H104 L108 K109 P110 F112 Y116 L119 | Y102-L106 VanDerWaalsContact O-CG 3.31Å; Y102-L106 WeakPolarHBondContact O-CG 3.26Å; Y102-L106 PolarHBondContact O-N 3.5Å; R103-L106 PolarHBondContact O-N 3.29Å; H104-L106 VanDerWaalsContact C-N 3.31Å; H104-L106 PolarHBondContact O-N 2.93Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-K109 CarbonylContact O-C 3.49Å; L106-P110 VanDerWaalsContact O-CA 3.25Å; L106-P110 WeakPolarHBondContact O-CA 3.45Å; L106-F112 HydrophobicContact CD2-CB 4.29Å; L106-F112 WeakPolarHBondContact CD2-O 3.48Å; L106-Y116 HydrophobicContact CD1-CD1 3.61Å; L106-Y116 HydrophobicContact CD1-CE1 3.72Å; L106-Y116 HydrophobicContact CD1-CG 4.11Å; L106-Y116 HydrophobicContact CD2-CD1 4.01Å; L106-Y116 HydrophobicContact CD2-CD2 3.63Å; L106-Y116 HydrophobicContact CD2-CE1 3.95Å; L106-Y116 HydrophobicContact CD2-CE2 3.58Å; L106-Y116 HydrophobicContact CD2-CG 3.84Å; L106-Y116 HydrophobicContact CG-CD1 4.44Å; L106-Y116 HydrophobicContact CG-CE1 4.34Å; L106-L119 HydrophobicContact CD1-CB 4.42Å; L106-L119 HydrophobicContact CD1-CD2 3.66Å |
| 107 | R | 93.7 | Very high | 93.2 | Very high | 172 Ų | 172 | 53.2 Ų | 53.2 | 65% | 0.649 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66 | -34.2 | 171 | -77.6 | -170.5 | -63 | -118.8 | 1 | 112.5 | R103 H104 A105 | R103-R107 WeakPolarHBondContact O-CG 3.31Å; R103-R107 PolarHBondContact O-N 2.99Å; H104-R107 PolarHBondContact CD2-NH2 3.48Å; H104-R107 PolarHBondContact O-N 3.42Å; A105-R107 PolarHBondContact O-N 3.43Å |
| 108 | L | 91.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78.3 | -39.5 | 178.9 | -67 | 173.4 | 0 | 0 | 0 | 111.8 | L77 A79 Y82 H104 A105 L106 | L77-L108 HydrophobicContact CD2-CD2 3.88Å; A79-L108 HydrophobicContact CB-CB 4.1Å; Y82-L108 HydrophobicContact CD2-CD1 3.53Å; Y82-L108 HydrophobicContact CE2-CD1 3.41Å; Y82-L108 VanDerWaalsContact CE2-CD1 3.41Å; H104-L108 WeakPolarHBondContact O-CG 3.41Å; H104-L108 PolarHBondContact O-N 3.37Å; A105-L108 PolarHBondContact O-N 2.89Å; A105-L108 VanDerWaalsContact O-N 3.16Å; L106-L108 VanDerWaalsContact C-N 3.31Å |
| 109 | K | 92.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 52 Ų | 52 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | trans | -134.8 | 87.9 | -178.6 | -171.9 | 175.1 | 171.5 | 173.1 | 0 | 109.6 | A79 E80 A105 L106 D111 F112 | A79-K109 HydrophobicContact CB-CB 3.5Å; A79-K109 VanDerWaalsContact CB-CB 3.5Å; A79-K109 HydrophobicContact CB-CD 4.22Å; E80-K109 IonicContact OE1-NZ 3.2Å; E80-K109 PolarHBondContact OE1-NZ 3.39Å; A105-K109 PolarHBondContact O-N 3.34Å; L106-K109 CarbonylContact O-C 3.49Å; K109-D111 WeakPolarHBondContact CG-OD1 3.43Å; K109-D111 PolarHBondContact O-N 3.49Å; K109-F112 HydrophobicContact CB-CB 4.03Å; K109-F112 HydrophobicContact CD-CB 4.04Å; K109-F112 HydrophobicContact CD-CD2 4.44Å; K109-F112 HydrophobicContact CD-CG 4.44Å; K109-F112 HydrophobicContact CG-CB 3.86Å; K109-F112 WeakPolarHBondContact O-CB 3.37Å; K109-F112 PolarHBondContact O-N 3.46Å; K109-F112 VanDerWaalsContact O-N 3.08Å | ||
| 110 | P | 91.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 41% | 0.409 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.6 | -175.7 | -27 | 36.2 | 0 | 0 | 0 | 114.8 | L106 F112 Y116 Y142 | L106-P110 VanDerWaalsContact O-CA 3.25Å; L106-P110 WeakPolarHBondContact O-CA 3.45Å; P110-F112 VanDerWaalsContact C-N 3.29Å; P110-Y116 WeakPolarHBondContact O-CE2 3.22Å; P110-Y116 PolarHBondContact O-OH 3.43Å; P110-Y142 WeakPolarHBondContact CB-OH 3.42Å; P110-Y142 WeakPolarHBondContact O-CE2 3.49Å; P110-Y142 PolarHBondContact O-OH 3.4Å |
| 111 | D | 89.9 | Confident | 93.1 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 11.1 | 177 | 64.8 | -29.9 | 0 | 0 | 0 | 113.5 | K109 I113 Y142 | K109-D111 WeakPolarHBondContact CG-OD1 3.43Å; K109-D111 PolarHBondContact O-N 3.49Å; D111-I113 PolarHBondContact O-N 3.14Å; D111-Y142 HydrophobicContact CB-CD1 3.81Å; D111-Y142 HydrophobicContact CB-CE1 3.8Å |
| 112 | F | 91.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | trans | -79.4 | 83.7 | -179.5 | -174.7 | -127.7 | 0 | 0 | 0 | 112.4 | E80 S83 A105 L106 K109 P110 D114 G115 Y116 | E80-F112 HydrophobicContact CG-CE2 4.43Å; S83-F112 WeakPolarHBondContact OG-CE1 3.38Å; A105-F112 HydrophobicContact CB-CD1 4.35Å; L106-F112 HydrophobicContact CD2-CB 4.29Å; L106-F112 WeakPolarHBondContact CD2-O 3.48Å; K109-F112 HydrophobicContact CB-CB 4.03Å; K109-F112 HydrophobicContact CD-CB 4.04Å; K109-F112 HydrophobicContact CD-CD2 4.44Å; K109-F112 HydrophobicContact CD-CG 4.44Å; K109-F112 HydrophobicContact CG-CB 3.86Å; K109-F112 WeakPolarHBondContact O-CB 3.37Å; K109-F112 PolarHBondContact O-N 3.46Å; K109-F112 VanDerWaalsContact O-N 3.08Å; P110-F112 VanDerWaalsContact C-N 3.29Å; F112-D114 HydrophobicContact CE2-CB 4Å; F112-D114 HydrophobicContact CZ-CB 3.93Å; F112-D114 PolarHBondContact O-N 2.59Å; F112-G115 VanDerWaalsContact CD1-CA 3.49Å; F112-G115 WeakPolarHBondContact O-CA 3.37Å; F112-G115 PolarHBondContact O-N 3.31Å; F112-Y116 PolarHBondContact O-N 3.16Å | ||
| 113 | I | 91.3 | Very high | 93 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 22% | 0.221 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -50.1 | -50.7 | -177.2 | -65.1 | 166.6 | 0 | 0 | 0 | 112.8 | D111 G115 Y116 I117 N143 L146 | D111-I113 PolarHBondContact O-N 3.14Å; I113-G115 PolarHBondContact O-N 2.91Å; I113-Y116 PolarHBondContact O-N 2.94Å; I113-I117 HydrophobicContact CG2-CD1 3.88Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 PolarHBondContact O-N 3.36Å; I113-I117 VanDerWaalsContact O-N 3.07Å; I113-N143 HydrophobicContact CD1-CB 3.57Å; I113-L146 HydrophobicContact CG2-CD1 3.47Å; I113-L146 VanDerWaalsContact CG2-CD1 3.47Å |
| 114 | D | 87.9 | Confident | 92.9 | Very high | 98 Ų | 98 | 43.9 Ų | 43.9 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.2 | -29.3 | -179.8 | -68.4 | -27.3 | 0 | 0 | 0 | 111.9 | F112 N118 | F112-D114 HydrophobicContact CE2-CB 4Å; F112-D114 HydrophobicContact CZ-CB 3.93Å; F112-D114 PolarHBondContact O-N 2.59Å; D114-N118 VanDerWaalsContact O-CB 3.3Å; D114-N118 WeakPolarHBondContact O-CB 3.29Å; D114-N118 VanDerWaalsContact O-CG 3.31Å; D114-N118 PolarHBondContact O-N 2.95Å; D114-N118 PolarHBondContact O-ND2 2.84Å |
| 115 | G | 92.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F112 I113 L119 | F112-G115 VanDerWaalsContact CD1-CA 3.49Å; F112-G115 WeakPolarHBondContact O-CA 3.37Å; F112-G115 PolarHBondContact O-N 3.31Å; I113-G115 PolarHBondContact O-N 2.91Å; G115-L119 WeakPolarHBondContact O-CB 3.4Å; G115-L119 PolarHBondContact O-N 3.24Å |
| 116 | Y | 95.7 | Very high | 92.5 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 176.3 | -70.9 | -71.3 | 0 | 0 | 0 | 112.3 | L106 P110 F112 I113 L119 A120 S138 A139 Y142 | L106-Y116 HydrophobicContact CD1-CD1 3.61Å; L106-Y116 HydrophobicContact CD1-CE1 3.72Å; L106-Y116 HydrophobicContact CD1-CG 4.11Å; L106-Y116 HydrophobicContact CD2-CD1 4.01Å; L106-Y116 HydrophobicContact CD2-CD2 3.63Å; L106-Y116 HydrophobicContact CD2-CE1 3.95Å; L106-Y116 HydrophobicContact CD2-CE2 3.58Å; L106-Y116 HydrophobicContact CD2-CG 3.84Å; L106-Y116 HydrophobicContact CG-CD1 4.44Å; L106-Y116 HydrophobicContact CG-CE1 4.34Å; P110-Y116 WeakPolarHBondContact O-CE2 3.22Å; P110-Y116 PolarHBondContact O-OH 3.43Å; F112-Y116 PolarHBondContact O-N 3.16Å; I113-Y116 PolarHBondContact O-N 2.94Å; Y116-L119 PolarHBondContact O-N 2.91Å; Y116-A120 WeakPolarHBondContact O-CB 3.29Å; Y116-A120 PolarHBondContact O-N 3.24Å; Y116-S138 VanDerWaalsContact CE1-CB 3.45Å; Y116-A139 HydrophobicContact CG-CB 4.46Å; Y116-Y142 HydrophobicContact CD2-CD2 4.39Å; Y116-Y142 AromaticContact CE2-CD2 3.71Å; Y116-Y142 HydrophobicContact CE2-CD2 3.71Å; Y116-Y142 AromaticContact CE2-CE2 3.59Å; Y116-Y142 HydrophobicContact CE2-CE2 3.59Å; Y116-Y142 AromaticContact CZ-CE2 3.91Å |
| 117 | I | 93.9 | Very high | 92.3 | Very high | 45 Ų | 45 | 48 Ų | 48 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.3 | -63.2 | 171.1 | 0 | 0 | 0 | 110.1 | I113 A120 A121 A139 V149 | I113-I117 HydrophobicContact CG2-CD1 3.88Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 PolarHBondContact O-N 3.36Å; I113-I117 VanDerWaalsContact O-N 3.07Å; I117-A120 PolarHBondContact O-N 2.96Å; I117-A121 PolarHBondContact O-N 3.29Å; I117-A139 HydrophobicContact CG1-CB 4.42Å; I117-V149 HydrophobicContact CD1-CG2 3.63Å; I117-V149 HydrophobicContact CG1-CG2 3.92Å |
| 118 | N | 93.1 | Very high | 92.3 | Very high | 33 Ų | 33 | 43 Ų | 43 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 177.4 | -74.9 | -47.9 | 0 | 0 | 0 | 112.4 | Y102 D114 A121 A122 | Y102-N118 HydrophobicContact CD1-CB 3.99Å; Y102-N118 HydrophobicContact CE1-CB 3.53Å; Y102-N118 HydrophobicContact CE2-CB 4.12Å; Y102-N118 HydrophobicContact CG-CB 4.46Å; D114-N118 VanDerWaalsContact O-CB 3.3Å; D114-N118 WeakPolarHBondContact O-CB 3.29Å; D114-N118 VanDerWaalsContact O-CG 3.31Å; D114-N118 PolarHBondContact O-N 2.95Å; D114-N118 PolarHBondContact O-ND2 2.84Å; N118-A121 PolarHBondContact O-N 2.81Å; N118-A122 WeakPolarHBondContact O-CB 3.36Å; N118-A122 PolarHBondContact O-N 3.34Å |
| 119 | L | 95.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 172.9 | 176.7 | 61.4 | 0 | 0 | 0 | 111.2 | I99 R103 L106 G115 Y116 A121 A122 L123 A135 | I99-L119 HydrophobicContact CB-CD1 4.34Å; I99-L119 HydrophobicContact CG1-CD1 4.27Å; I99-L119 HydrophobicContact CG2-CD1 3.88Å; R103-L119 HydrophobicContact CG-CD1 4.21Å; R103-L119 HydrophobicContact CG-CD2 4.22Å; L106-L119 HydrophobicContact CD1-CB 4.42Å; L106-L119 HydrophobicContact CD1-CD2 3.66Å; G115-L119 WeakPolarHBondContact O-CB 3.4Å; G115-L119 PolarHBondContact O-N 3.24Å; Y116-L119 PolarHBondContact O-N 2.91Å; L119-A121 PolarHBondContact O-N 3.36Å; L119-A122 PolarHBondContact O-N 2.91Å; L119-L123 HydrophobicContact CD1-CD1 3.79Å; L119-L123 HydrophobicContact CD1-CG 3.96Å; L119-L123 HydrophobicContact CD2-CD1 4.35Å; L119-L123 HydrophobicContact CG-CD1 3.67Å; L119-L123 HydrophobicContact CG-CG 4.28Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.23Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 2.96Å; L119-A135 HydrophobicContact CD2-CB 4.2Å; L119-A135 HydrophobicContact CG-CB 4.2Å |
| 120 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y116 I117 A122 L123 V124 A135 Y136 | Y116-A120 WeakPolarHBondContact O-CB 3.29Å; Y116-A120 PolarHBondContact O-N 3.24Å; I117-A120 PolarHBondContact O-N 2.96Å; A120-A122 VanDerWaalsContact C-N 3.33Å; A120-A122 PolarHBondContact O-N 3.35Å; A120-L123 PolarHBondContact O-N 2.92Å; A120-V124 WeakPolarHBondContact O-CG2 3.33Å; A120-V124 PolarHBondContact O-N 2.98Å; A120-A135 HydrophobicContact CB-CB 3.81Å; A120-Y136 HydrophobicContact CB-CD1 3.58Å; A120-Y136 HydrophobicContact CB-CD2 3.86Å; A120-Y136 HydrophobicContact CB-CE1 3.46Å; A120-Y136 VanDerWaalsContact CB-CE1 3.46Å; A120-Y136 HydrophobicContact CB-CE2 3.72Å; A120-Y136 HydrophobicContact CB-CG 3.8Å |
| 121 | A | 92.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I117 N118 L119 A125 | I117-A121 PolarHBondContact O-N 3.29Å; N118-A121 PolarHBondContact O-N 2.81Å; L119-A121 PolarHBondContact O-N 3.36Å; A121-A125 PolarHBondContact O-N 2.88Å; A121-A125 VanDerWaalsContact O-N 3.1Å |
| 122 | A | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K90 I99 Y102 N118 L119 A120 A125 A126 | K90-A122 HydrophobicContact CD-CB 4.41Å; I99-A122 HydrophobicContact CG1-CB 3.9Å; Y102-A122 HydrophobicContact CD2-CB 4.27Å; Y102-A122 HydrophobicContact CE2-CB 3.95Å; N118-A122 WeakPolarHBondContact O-CB 3.36Å; N118-A122 PolarHBondContact O-N 3.34Å; L119-A122 PolarHBondContact O-N 2.91Å; A120-A122 VanDerWaalsContact C-N 3.33Å; A120-A122 PolarHBondContact O-N 3.35Å; A122-A125 PolarHBondContact O-N 3.07Å; A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 2.77Å |
| 123 | L | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.3 | -40.7 | 176.8 | -72 | 168.7 | 0 | 0 | 0 | 112 | I99 L119 A120 A125 A126 G127 D128 G131 A132 A135 | I99-L123 HydrophobicContact CD1-CD2 3.81Å; I99-L123 HydrophobicContact CD1-CG 4.44Å; I99-L123 HydrophobicContact CG1-CD2 4.21Å; I99-L123 HydrophobicContact CG1-CG 4.49Å; I99-L123 HydrophobicContact CG2-CD2 4.35Å; L119-L123 HydrophobicContact CD1-CD1 3.79Å; L119-L123 HydrophobicContact CD1-CG 3.96Å; L119-L123 HydrophobicContact CD2-CD1 4.35Å; L119-L123 HydrophobicContact CG-CD1 3.67Å; L119-L123 HydrophobicContact CG-CG 4.28Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.23Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 2.96Å; A120-L123 PolarHBondContact O-N 2.92Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 3.15Å; L123-A126 CarbonylContact O-C 3.58Å; L123-A126 PolarHBondContact O-N 3.02Å; L123-G127 PolarHBondContact O-N 3.37Å; L123-D128 HydrophobicContact CB-CB 4.47Å; L123-D128 HydrophobicContact CD2-CB 4.02Å; L123-D128 PolarHBondContact O-N 3.21Å; L123-G131 VanDerWaalsContact CD1-C 3.41Å; L123-G131 WeakPolarHBondContact CD1-O 3.39Å; L123-A132 HydrophobicContact CB-CB 3.83Å; L123-A135 HydrophobicContact CD1-CB 4.31Å |
| 124 | V | 92 | Very high | 93 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 39% | 0.388 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 171.5 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | A120 A126 G127 A132 L156 | A120-V124 WeakPolarHBondContact O-CG2 3.33Å; A120-V124 PolarHBondContact O-N 2.98Å; V124-A126 PolarHBondContact O-N 2.78Å; V124-G127 PolarHBondContact O-N 3.32Å; V124-G127 VanDerWaalsContact O-N 3.09Å; V124-A132 HydrophobicContact CG2-CB 3.56Å; V124-L156 HydrophobicContact CG2-CD1 4.23Å; V124-L156 HydrophobicContact CG2-CD2 4.25Å |
| 125 | A | 90 | Very high | 93.3 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -30.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L95 A121 A122 L123 G127 | L95-A125 HydrophobicContact CD1-CB 4.03Å; L95-A125 HydrophobicContact CD2-CB 4.01Å; A121-A125 PolarHBondContact O-N 2.88Å; A121-A125 VanDerWaalsContact O-N 3.1Å; A122-A125 PolarHBondContact O-N 3.07Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 3.15Å; A125-G127 VanDerWaalsContact C-N 3.34Å |
| 126 | A | 90.2 | Very high | 93.5 | Very high | 44 Ų | 44 | 38 Ų | 38 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -83.1 | -5.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L95 I99 A122 L123 V124 | L95-A126 HydrophobicContact CB-CB 4.48Å; L95-A126 HydrophobicContact CD1-CB 4.23Å; I99-A126 HydrophobicContact CD1-CB 4.01Å; A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 2.77Å; L123-A126 CarbonylContact O-C 3.58Å; L123-A126 PolarHBondContact O-N 3.02Å; V124-A126 PolarHBondContact O-N 2.78Å |
| 127 | G | 89.9 | Confident | 93.4 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 2.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L123 V124 A125 M129 | L123-G127 PolarHBondContact O-N 3.37Å; V124-G127 PolarHBondContact O-N 3.32Å; V124-G127 VanDerWaalsContact O-N 3.09Å; A125-G127 VanDerWaalsContact C-N 3.34Å; G127-M129 VanDerWaalsContact C-N 3.34Å; G127-M129 PolarHBondContact O-N 3.31Å; G127-M129 VanDerWaalsContact O-N 3.09Å |
| 128 | D | 92.5 | Very high | 93.5 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | trans | -84.1 | 78.8 | 174.4 | -176.4 | 6 | 0 | 0 | 0 | 110.3 | L123 E130 G131 A132 | L123-D128 HydrophobicContact CB-CB 4.47Å; L123-D128 HydrophobicContact CD2-CB 4.02Å; L123-D128 PolarHBondContact O-N 3.21Å; D128-E130 VanDerWaalsContact C-N 3.34Å; D128-E130 PolarHBondContact O-N 2.81Å; D128-G131 PolarHBondContact OD1-N 3.33Å; D128-A132 WeakPolarHBondContact O-CB 3.4Å; D128-A132 PolarHBondContact O-N 3.17Å; D128-A132 VanDerWaalsContact O-N 3.09Å | ||
| 129 | M | 92.1 | Very high | 93.5 | Very high | 78 Ų | 78 | 37.2 Ų | 37.2 | 38% | 0.384 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -35.1 | -176.5 | -63.2 | -162.4 | -178.2 | 0 | 0 | 112.7 | G127 A132 V133 L156 L160 | G127-M129 VanDerWaalsContact C-N 3.34Å; G127-M129 PolarHBondContact O-N 3.31Å; G127-M129 VanDerWaalsContact O-N 3.09Å; M129-A132 PolarHBondContact O-N 2.83Å; M129-V133 WeakPolarHBondContact O-CG2 3.31Å; M129-V133 PolarHBondContact O-N 3.49Å; M129-L156 HydrophobicContact CB-CD1 4.09Å; M129-L156 HydrophobicContact CG-CD1 4.12Å; M129-L156 HydrophobicContact SD-CD1 4.21Å; M129-L160 HydrophobicContact CB-CD1 4.28Å; M129-L160 HydrophobicContact CB-CD2 3.92Å; M129-L160 HydrophobicContact CB-CG 4.4Å; M129-L160 HydrophobicContact CG-CD2 4.42Å; M129-L160 HydrophobicContact SD-CD2 3.67Å; M129-L160 HydrophobicContact SD-CG 4.2Å |
| 130 | E | 93.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 35% | 0.346 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -77.6 | -36.9 | -179.9 | -79.9 | -72.3 | -132.2 | 0 | 0 | 113 | D128 A132 V133 Q134 R162 | D128-E130 VanDerWaalsContact C-N 3.34Å; D128-E130 PolarHBondContact O-N 2.81Å; E130-A132 PolarHBondContact O-N 2.83Å; E130-V133 PolarHBondContact O-N 2.81Å; E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.34Å; E130-R162 IonicContact OE1-CZ 3.79Å; E130-R162 IonicContact OE1-NH1 2.76Å; E130-R162 PolarHBondContact OE1-NH1 2.96Å; E130-R162 IonicContact OE1-NH2 2.88Å; E130-R162 PolarHBondContact OE1-NH2 2.97Å; E130-R162 IonicContact OE2-NH1 3.92Å; E130-R162 PolarHBondContact OE2-NH1 3.24Å |
| 131 | G | 93.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -40.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | L123 D128 Q134 A135 | L123-G131 VanDerWaalsContact CD1-C 3.41Å; L123-G131 WeakPolarHBondContact CD1-O 3.39Å; D128-G131 PolarHBondContact OD1-N 3.33Å; G131-Q134 PolarHBondContact O-N 2.86Å; G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.39Å |
| 132 | A | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L123 V124 D128 M129 E130 Q134 A135 Y136 L156 | L123-A132 HydrophobicContact CB-CB 3.83Å; V124-A132 HydrophobicContact CG2-CB 3.56Å; D128-A132 WeakPolarHBondContact O-CB 3.4Å; D128-A132 PolarHBondContact O-N 3.17Å; D128-A132 VanDerWaalsContact O-N 3.09Å; M129-A132 PolarHBondContact O-N 2.83Å; E130-A132 PolarHBondContact O-N 2.83Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 3.14Å; A132-A135 PolarHBondContact O-N 3.22Å; A132-Y136 WeakPolarHBondContact O-CD2 3.22Å; A132-Y136 PolarHBondContact O-N 3.03Å; A132-L156 HydrophobicContact CB-CD2 3.65Å |
| 133 | V | 95.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.2 | -49.8 | 172.5 | 166.4 | 0 | 0 | 0 | 0 | 110.3 | M129 E130 A135 Y136 V137 L153 L156 L157 L160 | M129-V133 WeakPolarHBondContact O-CG2 3.31Å; M129-V133 PolarHBondContact O-N 3.49Å; E130-V133 PolarHBondContact O-N 2.81Å; V133-A135 VanDerWaalsContact C-N 3.35Å; V133-A135 PolarHBondContact O-N 3.23Å; V133-Y136 PolarHBondContact O-N 3.03Å; V133-V137 HydrophobicContact CG1-CG2 4.33Å; V133-V137 VanDerWaalsContact O-CG2 3.3Å; V133-V137 WeakPolarHBondContact O-CG2 3.49Å; V133-V137 PolarHBondContact O-N 2.95Å; V133-L153 HydrophobicContact CB-CD1 4.25Å; V133-L153 HydrophobicContact CG1-CD1 3.99Å; V133-L153 HydrophobicContact CG2-CD1 4.11Å; V133-L156 HydrophobicContact CG2-CD2 3.61Å; V133-L156 HydrophobicContact CG2-CG 4Å; V133-L157 HydrophobicContact CG2-CD2 4.24Å; V133-L160 HydrophobicContact CG2-CD1 4.09Å |
| 134 | Q | 95.2 | Very high | 92.9 | Very high | 136 Ų | 136 | 52.6 Ų | 52.6 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 179.2 | -70.1 | 179.6 | 6.8 | 0 | 0 | 112.1 | E130 G131 A132 Y136 V137 S138 | E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.34Å; G131-Q134 PolarHBondContact O-N 2.86Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 3.14Å; Q134-Y136 PolarHBondContact O-N 2.94Å; Q134-V137 PolarHBondContact O-N 2.84Å; Q134-S138 PolarHBondContact O-N 3.12Å; Q134-S138 PolarHBondContact O-OG 3.4Å |
| 135 | A | 94.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L119 A120 L123 G131 A132 V133 S138 A139 | L119-A135 HydrophobicContact CD2-CB 4.2Å; L119-A135 HydrophobicContact CG-CB 4.2Å; A120-A135 HydrophobicContact CB-CB 3.81Å; L123-A135 HydrophobicContact CD1-CB 4.31Å; G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.39Å; A132-A135 PolarHBondContact O-N 3.22Å; V133-A135 VanDerWaalsContact C-N 3.35Å; V133-A135 PolarHBondContact O-N 3.23Å; A135-S138 PolarHBondContact O-N 3.37Å; A135-A139 PolarHBondContact O-N 3.35Å |
| 136 | Y | 95.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 8% | 0.078 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 174.8 | -76.3 | -46.2 | 0 | 0 | 0 | 113.1 | A120 A132 V133 Q134 S138 A139 L140 V149 D152 L153 L156 | A120-Y136 HydrophobicContact CB-CD1 3.58Å; A120-Y136 HydrophobicContact CB-CD2 3.86Å; A120-Y136 HydrophobicContact CB-CE1 3.46Å; A120-Y136 VanDerWaalsContact CB-CE1 3.46Å; A120-Y136 HydrophobicContact CB-CE2 3.72Å; A120-Y136 HydrophobicContact CB-CG 3.8Å; A132-Y136 WeakPolarHBondContact O-CD2 3.22Å; A132-Y136 PolarHBondContact O-N 3.03Å; V133-Y136 PolarHBondContact O-N 3.03Å; Q134-Y136 PolarHBondContact O-N 2.94Å; Y136-S138 VanDerWaalsContact C-N 3.33Å; Y136-S138 PolarHBondContact O-N 2.79Å; Y136-A139 WeakPolarHBondContact O-CB 3.39Å; Y136-A139 PolarHBondContact O-N 3.02Å; Y136-L140 WeakPolarHBondContact O-CG 3.41Å; Y136-L140 PolarHBondContact O-N 3.47Å; Y136-V149 HydrophobicContact CD1-CG1 3.42Å; Y136-V149 VanDerWaalsContact CD1-CG1 3.42Å; Y136-V149 HydrophobicContact CE1-CG1 3.97Å; Y136-V149 HydrophobicContact CG-CG1 4.27Å; Y136-D152 HydrophobicContact CE1-CB 4.47Å; Y136-D152 HydrophobicContact CE2-CB 4.37Å; Y136-L153 HydrophobicContact CD2-CB 4.34Å; Y136-L153 HydrophobicContact CG-CB 4.4Å; Y136-L156 HydrophobicContact CD2-CD2 4.28Å; Y136-L156 HydrophobicContact CE2-CD2 4.37Å |
| 137 | V | 94.8 | Very high | 93 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 35% | 0.352 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | V133 Q134 L140 Q141 L153 | V133-V137 HydrophobicContact CG1-CG2 4.33Å; V133-V137 VanDerWaalsContact O-CG2 3.3Å; V133-V137 WeakPolarHBondContact O-CG2 3.49Å; V133-V137 PolarHBondContact O-N 2.95Å; Q134-V137 PolarHBondContact O-N 2.84Å; V137-L140 PolarHBondContact O-N 2.91Å; V137-Q141 WeakPolarHBondContact O-CG 3.46Å; V137-Q141 PolarHBondContact O-N 2.77Å; V137-L153 HydrophobicContact CG2-CD2 3.98Å |
| 138 | S | 94.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 175 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | Y116 Q134 A135 Y136 L140 Q141 Y142 | Y116-S138 VanDerWaalsContact CE1-CB 3.45Å; Q134-S138 PolarHBondContact O-N 3.12Å; Q134-S138 PolarHBondContact O-OG 3.4Å; A135-S138 PolarHBondContact O-N 3.37Å; Y136-S138 VanDerWaalsContact C-N 3.33Å; Y136-S138 PolarHBondContact O-N 2.79Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 2.93Å; S138-Q141 WeakPolarHBondContact O-CB 3.38Å; S138-Q141 PolarHBondContact O-N 3.37Å; S138-Q141 VanDerWaalsContact O-N 3.16Å; S138-Y142 VanDerWaalsContact O-CD2 3.24Å; S138-Y142 WeakPolarHBondContact O-CD2 3.43Å; S138-Y142 PolarHBondContact O-N 3.01Å |
| 139 | A | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.7 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y116 I117 A135 Y136 Q141 Y142 N143 V149 | Y116-A139 HydrophobicContact CG-CB 4.46Å; I117-A139 HydrophobicContact CG1-CB 4.42Å; A135-A139 PolarHBondContact O-N 3.35Å; Y136-A139 WeakPolarHBondContact O-CB 3.39Å; Y136-A139 PolarHBondContact O-N 3.02Å; A139-Q141 VanDerWaalsContact C-N 3.34Å; A139-Q141 PolarHBondContact O-N 3.06Å; A139-Y142 PolarHBondContact O-N 3.14Å; A139-N143 PolarHBondContact O-N 3.39Å; A139-V149 HydrophobicContact CB-CG1 4.35Å |
| 140 | L | 93 | Very high | 93.3 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.6 | -19.7 | -180 | -67 | 171 | 0 | 0 | 0 | 113.9 | Y136 V137 S138 N143 P144 L146 V149 R150 L153 | Y136-L140 WeakPolarHBondContact O-CG 3.41Å; Y136-L140 PolarHBondContact O-N 3.47Å; V137-L140 PolarHBondContact O-N 2.91Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 2.93Å; L140-N143 CarbonylContact O-C 3.56Å; L140-P144 VanDerWaalsContact O-CA 3.3Å; L140-P144 WeakPolarHBondContact O-CA 3.44Å; L140-L146 HydrophobicContact CD2-CB 4.02Å; L140-V149 HydrophobicContact CD2-CB 4.28Å; L140-V149 HydrophobicContact CD2-CG1 4.28Å; L140-V149 HydrophobicContact CG-CG1 4.26Å; L140-R150 HydrophobicContact CD1-CB 3.92Å; L140-R150 HydrophobicContact CD1-CG 4.21Å; L140-R150 HydrophobicContact CD2-CB 4.02Å; L140-L153 HydrophobicContact CD1-CD2 3.83Å |
| 141 | Q | 93 | Very high | 93.3 | Very high | 140 Ų | 140 | 47.6 Ų | 47.6 | 65% | 0.654 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.3 | -38.8 | 170.7 | -77.2 | 175.8 | -9.4 | 0 | 0 | 111.5 | V137 S138 A139 | V137-Q141 WeakPolarHBondContact O-CG 3.46Å; V137-Q141 PolarHBondContact O-N 2.77Å; S138-Q141 WeakPolarHBondContact O-CB 3.38Å; S138-Q141 PolarHBondContact O-N 3.37Å; S138-Q141 VanDerWaalsContact O-N 3.16Å; A139-Q141 VanDerWaalsContact C-N 3.34Å; A139-Q141 PolarHBondContact O-N 3.06Å |
| 142 | Y | 91.3 | Very high | 93.3 | Very high | 108 Ų | 108 | 50.4 Ų | 50.4 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -76.9 | -38.9 | 177.1 | -73.3 | -73.8 | 0 | 0 | 0 | 112.7 | P110 D111 Y116 S138 A139 | P110-Y142 WeakPolarHBondContact CB-OH 3.42Å; P110-Y142 WeakPolarHBondContact O-CE2 3.49Å; P110-Y142 PolarHBondContact O-OH 3.4Å; D111-Y142 HydrophobicContact CB-CD1 3.81Å; D111-Y142 HydrophobicContact CB-CE1 3.8Å; Y116-Y142 HydrophobicContact CD2-CD2 4.39Å; Y116-Y142 AromaticContact CE2-CD2 3.71Å; Y116-Y142 HydrophobicContact CE2-CD2 3.71Å; Y116-Y142 AromaticContact CE2-CE2 3.59Å; Y116-Y142 HydrophobicContact CE2-CE2 3.59Å; Y116-Y142 AromaticContact CZ-CE2 3.91Å; S138-Y142 VanDerWaalsContact O-CD2 3.24Å; S138-Y142 WeakPolarHBondContact O-CD2 3.43Å; S138-Y142 PolarHBondContact O-N 3.01Å; A139-Y142 PolarHBondContact O-N 3.14Å |
| 143 | N | 90.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | trans | -136.9 | 98.1 | 173.3 | -174 | -7.8 | 0 | 0 | 0 | 111.3 | I113 A139 L140 D145 L146 | I113-N143 HydrophobicContact CD1-CB 3.57Å; A139-N143 PolarHBondContact O-N 3.39Å; L140-N143 CarbonylContact O-C 3.56Å; N143-D145 PolarHBondContact O-N 3.13Å; N143-D145 PolarHBondContact OD1-N 3.17Å; N143-L146 HydrophobicContact CB-CD1 3.88Å; N143-L146 HydrophobicContact CB-CG 3.99Å | ||
| 144 | P | 90.8 | Very high | 93.2 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 44% | 0.442 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.2 | 178.9 | -23.6 | 34.5 | 0 | 0 | 0 | 114.8 | L140 L146 R150 | L140-P144 VanDerWaalsContact O-CA 3.3Å; L140-P144 WeakPolarHBondContact O-CA 3.44Å; P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 2.84Å; P144-R150 PolarHBondContact O-NH1 3.01Å |
| 145 | D | 90 | Very high | 93.1 | Very high | 112 Ų | 112 | 46 Ų | 46 | 60% | 0.599 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.9 | -172.6 | -62.1 | -34.6 | 0 | 0 | 0 | 113.6 | N143 Y147 T176 | N143-D145 PolarHBondContact O-N 3.13Å; N143-D145 PolarHBondContact OD1-N 3.17Å; D145-Y147 VanDerWaalsContact C-N 3.26Å; D145-Y147 PolarHBondContact O-N 3.38Å; D145-T176 HydrophobicContact CB-CG2 4.22Å; D145-T176 WeakPolarHBondContact O-CG2 3.24Å |
| 146 | L | 92.4 | Very high | 93.1 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | trans | -74.9 | 72.4 | 177.8 | -61 | 171.6 | 0 | 0 | 0 | 111.9 | I113 L140 N143 P144 C148 V149 R150 | I113-L146 HydrophobicContact CG2-CD1 3.47Å; I113-L146 VanDerWaalsContact CG2-CD1 3.47Å; L140-L146 HydrophobicContact CD2-CB 4.02Å; N143-L146 HydrophobicContact CB-CD1 3.88Å; N143-L146 HydrophobicContact CB-CG 3.99Å; P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 2.84Å; L146-C148 VanDerWaalsContact C-N 3.31Å; L146-C148 PolarHBondContact O-N 3.19Å; L146-V149 HydrophobicContact CB-CB 3.95Å; L146-V149 HydrophobicContact CB-CG2 3.89Å; L146-V149 HydrophobicContact CD1-CG2 4.29Å; L146-V149 PolarHBondContact O-N 3.49Å; L146-V149 VanDerWaalsContact O-N 3.15Å; L146-R150 PolarHBondContact O-N 3.33Å | ||
| 147 | Y | 92.3 | Very high | 93 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -34.4 | -175.8 | 66.5 | -91.2 | 0 | 0 | 0 | 113.9 | D145 R150 S151 T176 Q177 F180 | D145-Y147 VanDerWaalsContact C-N 3.26Å; D145-Y147 PolarHBondContact O-N 3.38Å; Y147-R150 PolarHBondContact O-N 2.76Å; Y147-S151 PolarHBondContact O-N 2.85Å; Y147-T176 HydrophobicContact CD1-CG2 4.44Å; Y147-Q177 HydrophobicContact CD1-CB 3.79Å; Y147-Q177 HydrophobicContact CD1-CG 4.42Å; Y147-Q177 HydrophobicContact CD2-CB 3.93Å; Y147-Q177 HydrophobicContact CD2-CG 4.36Å; Y147-Q177 HydrophobicContact CE1-CB 4.08Å; Y147-Q177 HydrophobicContact CE1-CG 4.2Å; Y147-Q177 HydrophobicContact CE2-CB 4.21Å; Y147-Q177 HydrophobicContact CE2-CG 4.14Å; Y147-Q177 HydrophobicContact CG-CB 3.72Å; Y147-F180 HydrophobicContact CD2-CB 4.3Å; Y147-F180 AromaticContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD2 4.24Å; Y147-F180 AromaticContact CD2-CE1 3.93Å; Y147-F180 HydrophobicContact CD2-CE1 3.93Å; Y147-F180 AromaticContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CZ 4.36Å; Y147-F180 HydrophobicContact CE2-CB 4.43Å; Y147-F180 HydrophobicContact CE2-CD1 4.21Å; Y147-F180 AromaticContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CE1 4.43Å; Y147-F180 HydrophobicContact CE2-CE2 4.21Å; Y147-F180 AromaticContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CZ 4.45Å |
| 148 | C | 92 | Very high | 92.8 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 174.4 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | L146 R150 S151 D152 | L146-C148 VanDerWaalsContact C-N 3.31Å; L146-C148 PolarHBondContact O-N 3.19Å; C148-R150 VanDerWaalsContact C-N 3.28Å; C148-R150 PolarHBondContact O-N 2.87Å; C148-S151 WeakPolarHBondContact O-CB 3.32Å; C148-S151 PolarHBondContact O-N 3.1Å; C148-S151 VanDerWaalsContact O-N 3.08Å; C148-D152 PolarHBondContact O-N 2.81Å |
| 149 | V | 93.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | I117 Y136 A139 L140 L146 S151 D152 L153 | I117-V149 HydrophobicContact CD1-CG2 3.63Å; I117-V149 HydrophobicContact CG1-CG2 3.92Å; Y136-V149 HydrophobicContact CD1-CG1 3.42Å; Y136-V149 VanDerWaalsContact CD1-CG1 3.42Å; Y136-V149 HydrophobicContact CE1-CG1 3.97Å; Y136-V149 HydrophobicContact CG-CG1 4.27Å; A139-V149 HydrophobicContact CB-CG1 4.35Å; L140-V149 HydrophobicContact CD2-CB 4.28Å; L140-V149 HydrophobicContact CD2-CG1 4.28Å; L140-V149 HydrophobicContact CG-CG1 4.26Å; L146-V149 HydrophobicContact CB-CB 3.95Å; L146-V149 HydrophobicContact CB-CG2 3.89Å; L146-V149 HydrophobicContact CD1-CG2 4.29Å; L146-V149 PolarHBondContact O-N 3.49Å; L146-V149 VanDerWaalsContact O-N 3.15Å; V149-S151 VanDerWaalsContact C-N 3.35Å; V149-S151 PolarHBondContact O-N 2.94Å; V149-D152 PolarHBondContact O-N 2.79Å; V149-L153 PolarHBondContact O-N 2.93Å |
| 150 | R | 95.4 | Very high | 92.4 | Very high | 38 Ų | 38 | 51.2 Ų | 51.2 | 14% | 0.143 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -35.9 | 176 | -175.3 | 170.1 | -89.9 | 104.6 | 0.3 | 112.8 | L140 P144 L146 Y147 C148 G154 C169 A173 | L140-R150 HydrophobicContact CD1-CB 3.92Å; L140-R150 HydrophobicContact CD1-CG 4.21Å; L140-R150 HydrophobicContact CD2-CB 4.02Å; P144-R150 PolarHBondContact O-NH1 3.01Å; L146-R150 PolarHBondContact O-N 3.33Å; Y147-R150 PolarHBondContact O-N 2.76Å; C148-R150 VanDerWaalsContact C-N 3.28Å; C148-R150 PolarHBondContact O-N 2.87Å; R150-G154 PolarHBondContact O-N 3.38Å; R150-C169 WeakPolarHBondContact CD-O 3.46Å; R150-C169 HydrophobicContact CG-CB 4.06Å; R150-C169 WeakPolarHBondContact CG-O 3.46Å; R150-A173 HydrophobicContact CB-CB 4.38Å; R150-A173 HydrophobicContact CG-CB 4.34Å |
| 151 | S | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.7 | -37.5 | 172.9 | 178.2 | 0 | 0 | 0 | 0 | 112.5 | Y147 C148 V149 L153 G154 N155 | Y147-S151 PolarHBondContact O-N 2.85Å; C148-S151 WeakPolarHBondContact O-CB 3.32Å; C148-S151 PolarHBondContact O-N 3.1Å; C148-S151 VanDerWaalsContact O-N 3.08Å; V149-S151 VanDerWaalsContact C-N 3.35Å; V149-S151 PolarHBondContact O-N 2.94Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-G154 CarbonylContact O-C 3.41Å; S151-G154 WeakPolarHBondContact O-CA 3.48Å; S151-G154 PolarHBondContact O-N 2.87Å; S151-G154 VanDerWaalsContact O-N 3.14Å; S151-N155 VanDerWaalsContact O-CG 3.24Å; S151-N155 PolarHBondContact O-N 3.23Å; S151-N155 PolarHBondContact O-ND2 3.03Å; S151-N155 PolarHBondContact O-OD1 3.33Å |
| 152 | D | 92.9 | Very high | 92.1 | Very high | 72 Ų | 72 | 51 Ų | 51 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.7 | -68.3 | -24.8 | 0 | 0 | 0 | 111.5 | Y136 C148 V149 G154 N155 L156 | Y136-D152 HydrophobicContact CE1-CB 4.47Å; Y136-D152 HydrophobicContact CE2-CB 4.37Å; C148-D152 PolarHBondContact O-N 2.81Å; V149-D152 PolarHBondContact O-N 2.79Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.04Å; D152-N155 WeakPolarHBondContact O-CB 3.49Å; D152-N155 PolarHBondContact O-N 2.83Å; D152-L156 PolarHBondContact O-N 3.14Å |
| 153 | L | 95.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 168.8 | 175 | 59.9 | 0 | 0 | 0 | 111.4 | V133 Y136 V137 L140 V149 S151 N155 L156 L157 | V133-L153 HydrophobicContact CB-CD1 4.25Å; V133-L153 HydrophobicContact CG1-CD1 3.99Å; V133-L153 HydrophobicContact CG2-CD1 4.11Å; Y136-L153 HydrophobicContact CD2-CB 4.34Å; Y136-L153 HydrophobicContact CG-CB 4.4Å; V137-L153 HydrophobicContact CG2-CD2 3.98Å; L140-L153 HydrophobicContact CD1-CD2 3.83Å; V149-L153 PolarHBondContact O-N 2.93Å; S151-L153 VanDerWaalsContact C-N 3.34Å; L153-N155 VanDerWaalsContact C-N 3.32Å; L153-N155 PolarHBondContact O-N 3.32Å; L153-L156 PolarHBondContact O-N 3.06Å; L153-L157 HydrophobicContact CD1-CD1 3.97Å; L153-L157 HydrophobicContact CD1-CG 4.12Å; L153-L157 HydrophobicContact CG-CD1 3.87Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.34Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.28Å |
| 154 | G | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R150 S151 D152 L157 K158 A166 Y170 | R150-G154 PolarHBondContact O-N 3.38Å; S151-G154 CarbonylContact O-C 3.41Å; S151-G154 WeakPolarHBondContact O-CA 3.48Å; S151-G154 PolarHBondContact O-N 2.87Å; S151-G154 VanDerWaalsContact O-N 3.14Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.04Å; G154-L157 PolarHBondContact O-N 3.39Å; G154-K158 WeakPolarHBondContact O-CB 3.42Å; G154-K158 PolarHBondContact O-N 2.93Å; G154-A166 WeakPolarHBondContact O-CB 3.3Å; G154-Y170 VanDerWaalsContact C-CZ 3.42Å; G154-Y170 PolarHBondContact O-OH 3.39Å |
| 155 | N | 92.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.2 | -67.3 | -20.9 | 0 | 0 | 0 | 111.8 | S151 D152 L153 K158 A159 Y170 N186 | S151-N155 VanDerWaalsContact O-CG 3.24Å; S151-N155 PolarHBondContact O-N 3.23Å; S151-N155 PolarHBondContact O-ND2 3.03Å; S151-N155 PolarHBondContact O-OD1 3.33Å; D152-N155 WeakPolarHBondContact O-CB 3.49Å; D152-N155 PolarHBondContact O-N 2.83Å; L153-N155 VanDerWaalsContact C-N 3.32Å; L153-N155 PolarHBondContact O-N 3.32Å; N155-K158 PolarHBondContact O-N 3.41Å; N155-A159 PolarHBondContact O-N 3.21Å; N155-Y170 VanDerWaalsContact CA-OH 3.25Å; N155-Y170 WeakPolarHBondContact CA-OH 3.37Å; N155-Y170 PolarHBondContact N-OH 2.82Å; N155-Y170 VanDerWaalsContact N-OH 3.14Å; N155-Y170 WeakPolarHBondContact OD1-CE1 3.16Å; N155-Y170 PolarHBondContact OD1-OH 2.9Å; N155-N186 VanDerWaalsContact OD1-CG 3.3Å; N155-N186 PolarHBondContact OD1-ND2 3.17Å |
| 156 | L | 93.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.7 | -175.2 | 60.3 | 0 | 0 | 0 | 111.7 | V124 M129 A132 V133 Y136 D152 L153 K158 A159 L160 | V124-L156 HydrophobicContact CG2-CD1 4.23Å; V124-L156 HydrophobicContact CG2-CD2 4.25Å; M129-L156 HydrophobicContact CB-CD1 4.09Å; M129-L156 HydrophobicContact CG-CD1 4.12Å; M129-L156 HydrophobicContact SD-CD1 4.21Å; A132-L156 HydrophobicContact CB-CD2 3.65Å; V133-L156 HydrophobicContact CG2-CD2 3.61Å; V133-L156 HydrophobicContact CG2-CG 4Å; Y136-L156 HydrophobicContact CD2-CD2 4.28Å; Y136-L156 HydrophobicContact CE2-CD2 4.37Å; D152-L156 PolarHBondContact O-N 3.14Å; L153-L156 PolarHBondContact O-N 3.06Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.92Å; L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 3Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.13Å |
| 157 | L | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 176.2 | -71 | 165.9 | 0 | 0 | 0 | 112.3 | V133 L153 G154 L160 G161 R162 E165 A166 C169 | V133-L157 HydrophobicContact CG2-CD2 4.24Å; L153-L157 HydrophobicContact CD1-CD1 3.97Å; L153-L157 HydrophobicContact CD1-CG 4.12Å; L153-L157 HydrophobicContact CG-CD1 3.87Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.34Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.28Å; G154-L157 PolarHBondContact O-N 3.39Å; L157-L160 CarbonylContact O-C 3.32Å; L157-L160 PolarHBondContact O-N 3.39Å; L157-G161 PolarHBondContact O-N 2.74Å; L157-R162 HydrophobicContact CB-CB 4.41Å; L157-R162 HydrophobicContact CD2-CB 4.24Å; L157-R162 PolarHBondContact O-N 3.1Å; L157-E165 HydrophobicContact CD1-CB 3.89Å; L157-E165 HydrophobicContact CD2-CB 4.26Å; L157-A166 HydrophobicContact CB-CB 3.92Å; L157-C169 VanDerWaalsContact CD1-SG 3.59Å |
| 158 | K | 90.5 | Very high | 92.7 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 173.5 | -171.2 | -178.4 | 77.5 | -174.7 | 0 | 110.9 | G154 N155 L156 L160 G161 L163 A166 N186 V190 | G154-K158 WeakPolarHBondContact O-CB 3.42Å; G154-K158 PolarHBondContact O-N 2.93Å; N155-K158 PolarHBondContact O-N 3.41Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.92Å; K158-L160 PolarHBondContact O-N 3.06Å; K158-G161 PolarHBondContact O-N 2.99Å; K158-L163 HydrophobicContact CG-CD2 4.23Å; K158-A166 HydrophobicContact CB-CB 4.09Å; K158-N186 PolarHBondContact NZ-OD1 3.09Å; K158-V190 HydrophobicContact CD-CG2 4.19Å; K158-V190 HydrophobicContact CG-CG2 4.46Å |
| 159 | A | 88.8 | Confident | 92.8 | Very high | 75 Ų | 75 | 44.4 Ų | 44.4 | 62% | 0.62 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63 | -30.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N155 L156 G161 | N155-A159 PolarHBondContact O-N 3.21Å; L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 3Å; A159-G161 VanDerWaalsContact C-N 3.27Å; A159-G161 PolarHBondContact O-N 3.12Å |
| 160 | L | 90.2 | Very high | 92.9 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.9 | 173.1 | -70.1 | 171.4 | 0 | 0 | 0 | 114.3 | M129 V133 L156 L157 K158 R162 | M129-L160 HydrophobicContact CB-CD1 4.28Å; M129-L160 HydrophobicContact CB-CD2 3.92Å; M129-L160 HydrophobicContact CB-CG 4.4Å; M129-L160 HydrophobicContact CG-CD2 4.42Å; M129-L160 HydrophobicContact SD-CD2 3.67Å; M129-L160 HydrophobicContact SD-CG 4.2Å; V133-L160 HydrophobicContact CG2-CD1 4.09Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.13Å; L157-L160 CarbonylContact O-C 3.32Å; L157-L160 PolarHBondContact O-N 3.39Å; K158-L160 PolarHBondContact O-N 3.06Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 HydrophobicContact CB-CG 4.46Å; L160-R162 PolarHBondContact O-N 3.09Å |
| 161 | G | 87.7 | Confident | 92.9 | Very high | 56 Ų | 56 | 46 Ų | 46 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L157 K158 A159 L163 | L157-G161 PolarHBondContact O-N 2.74Å; K158-G161 PolarHBondContact O-N 2.99Å; A159-G161 VanDerWaalsContact C-N 3.27Å; A159-G161 PolarHBondContact O-N 3.12Å; G161-L163 VanDerWaalsContact C-N 3.25Å; G161-L163 PolarHBondContact O-N 3.18Å |
| 162 | R | 92.2 | Very high | 92.9 | Very high | 90 Ų | 90 | 50 Ų | 50 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | trans | -83.5 | 65.8 | 178.1 | -66.8 | 176 | 175.9 | 173.3 | 7.2 | 110.8 | E130 L157 L160 E164 E165 A166 | E130-R162 IonicContact OE1-CZ 3.79Å; E130-R162 IonicContact OE1-NH1 2.76Å; E130-R162 PolarHBondContact OE1-NH1 2.96Å; E130-R162 IonicContact OE1-NH2 2.88Å; E130-R162 PolarHBondContact OE1-NH2 2.97Å; E130-R162 IonicContact OE2-NH1 3.92Å; E130-R162 PolarHBondContact OE2-NH1 3.24Å; L157-R162 HydrophobicContact CB-CB 4.41Å; L157-R162 HydrophobicContact CD2-CB 4.24Å; L157-R162 PolarHBondContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 HydrophobicContact CB-CG 4.46Å; L160-R162 PolarHBondContact O-N 3.09Å; R162-E164 PolarHBondContact O-N 3.49Å; R162-E165 HydrophobicContact CB-CB 4.33Å; R162-E165 WeakPolarHBondContact CD-OE1 3.46Å; R162-E165 PolarHBondContact O-N 2.9Å; R162-A166 PolarHBondContact O-N 2.86Å | ||
| 163 | L | 90.7 | Very high | 92.9 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | -169.3 | -64 | -179.1 | 0 | 0 | 0 | 114 | K158 G161 A166 K167 V190 A193 Q194 | K158-L163 HydrophobicContact CG-CD2 4.23Å; G161-L163 VanDerWaalsContact C-N 3.25Å; G161-L163 PolarHBondContact O-N 3.18Å; L163-A166 PolarHBondContact O-N 3Å; L163-K167 VanDerWaalsContact O-CB 3.28Å; L163-K167 WeakPolarHBondContact O-CB 3.39Å; L163-K167 PolarHBondContact O-N 3.04Å; L163-V190 HydrophobicContact CB-CG1 4.21Å; L163-A193 HydrophobicContact CD1-CB 4.27Å; L163-Q194 HydrophobicContact CD1-CG 4.46Å |
| 164 | E | 91.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 46.8 Ų | 46.8 | 53% | 0.528 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 179.1 | -73.3 | -57 | 143.5 | 0 | 0 | 112.8 | R162 K167 A168 Q194 | R162-E164 PolarHBondContact O-N 3.49Å; E164-K167 WeakPolarHBondContact O-CB 3.38Å; E164-K167 PolarHBondContact O-N 3.23Å; E164-K167 IonicContact OE2-NZ 3.08Å; E164-A168 PolarHBondContact O-N 3.3Å; E164-Q194 PolarHBondContact OE1-NE2 3.06Å |
| 165 | E | 93.8 | Very high | 92.8 | Very high | 100 Ų | 100 | 53 Ų | 53 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 175.2 | -64.2 | 179.5 | -108.5 | 0 | 0 | 111.1 | L157 R162 K167 A168 C169 | L157-E165 HydrophobicContact CD1-CB 3.89Å; L157-E165 HydrophobicContact CD2-CB 4.26Å; R162-E165 HydrophobicContact CB-CB 4.33Å; R162-E165 WeakPolarHBondContact CD-OE1 3.46Å; R162-E165 PolarHBondContact O-N 2.9Å; E165-K167 VanDerWaalsContact C-N 3.35Å; E165-K167 PolarHBondContact O-N 2.78Å; E165-A168 PolarHBondContact O-N 2.75Å; E165-C169 PolarHBondContact O-N 3.47Å; E165-C169 PolarHBondContact O-SG 2.74Å |
| 166 | A | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G154 L157 K158 R162 L163 A168 C169 Y170 | G154-A166 WeakPolarHBondContact O-CB 3.3Å; L157-A166 HydrophobicContact CB-CB 3.92Å; K158-A166 HydrophobicContact CB-CB 4.09Å; R162-A166 PolarHBondContact O-N 2.86Å; L163-A166 PolarHBondContact O-N 3Å; A166-A168 PolarHBondContact O-N 2.82Å; A166-C169 WeakPolarHBondContact O-CB 3.24Å; A166-C169 PolarHBondContact O-N 2.86Å; A166-C169 VanDerWaalsContact O-N 3.16Å; A166-Y170 HydrophobicContact CB-CE2 4.02Å; A166-Y170 WeakPolarHBondContact O-CD2 3.37Å; A166-Y170 PolarHBondContact O-N 2.95Å |
| 167 | K | 94.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.2 | -47.5 | 175.1 | 179.1 | 179.2 | 177.7 | -177.7 | 0 | 112 | L163 E164 E165 C169 Y170 L171 L187 V190 | L163-K167 VanDerWaalsContact O-CB 3.28Å; L163-K167 WeakPolarHBondContact O-CB 3.39Å; L163-K167 PolarHBondContact O-N 3.04Å; E164-K167 WeakPolarHBondContact O-CB 3.38Å; E164-K167 PolarHBondContact O-N 3.23Å; E164-K167 IonicContact OE2-NZ 3.08Å; E165-K167 VanDerWaalsContact C-N 3.35Å; E165-K167 PolarHBondContact O-N 2.78Å; K167-C169 VanDerWaalsContact C-N 3.29Å; K167-C169 PolarHBondContact O-N 2.92Å; K167-Y170 PolarHBondContact O-N 2.82Å; K167-L171 HydrophobicContact CG-CD1 4.04Å; K167-L171 WeakPolarHBondContact O-CB 3.15Å; K167-L171 WeakPolarHBondContact O-CG 3.25Å; K167-L171 PolarHBondContact O-N 3.36Å; K167-L187 HydrophobicContact CB-CD1 4.38Å; K167-L187 HydrophobicContact CG-CD1 3.8Å; K167-V190 HydrophobicContact CB-CG1 4.28Å |
| 168 | A | 94.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E164 E165 A166 K172 | E164-A168 PolarHBondContact O-N 3.3Å; E165-A168 PolarHBondContact O-N 2.75Å; A166-A168 PolarHBondContact O-N 2.82Å; A168-K172 WeakPolarHBondContact O-CB 3.49Å; A168-K172 PolarHBondContact O-N 3.45Å |
| 169 | C | 94.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 112 | R150 L157 E165 A166 K167 K172 A173 | R150-C169 WeakPolarHBondContact CD-O 3.46Å; R150-C169 HydrophobicContact CG-CB 4.06Å; R150-C169 WeakPolarHBondContact CG-O 3.46Å; L157-C169 VanDerWaalsContact CD1-SG 3.59Å; E165-C169 PolarHBondContact O-N 3.47Å; E165-C169 PolarHBondContact O-SG 2.74Å; A166-C169 WeakPolarHBondContact O-CB 3.24Å; A166-C169 PolarHBondContact O-N 2.86Å; A166-C169 VanDerWaalsContact O-N 3.16Å; K167-C169 VanDerWaalsContact C-N 3.29Å; K167-C169 PolarHBondContact O-N 2.92Å; C169-K172 PolarHBondContact O-N 3.48Å; C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 3.14Å |
| 170 | Y | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 179.8 | -59.7 | -47.9 | 0 | 0 | 0 | 112.6 | G154 N155 A166 K167 K172 A173 I174 N186 L187 V190 | G154-Y170 VanDerWaalsContact C-CZ 3.42Å; G154-Y170 PolarHBondContact O-OH 3.39Å; N155-Y170 VanDerWaalsContact CA-OH 3.25Å; N155-Y170 WeakPolarHBondContact CA-OH 3.37Å; N155-Y170 PolarHBondContact N-OH 2.82Å; N155-Y170 VanDerWaalsContact N-OH 3.14Å; N155-Y170 WeakPolarHBondContact OD1-CE1 3.16Å; N155-Y170 PolarHBondContact OD1-OH 2.9Å; A166-Y170 HydrophobicContact CB-CE2 4.02Å; A166-Y170 WeakPolarHBondContact O-CD2 3.37Å; A166-Y170 PolarHBondContact O-N 2.95Å; K167-Y170 PolarHBondContact O-N 2.82Å; Y170-K172 VanDerWaalsContact C-N 3.32Å; Y170-K172 PolarHBondContact O-N 2.84Å; Y170-A173 PolarHBondContact O-N 3.34Å; Y170-I174 VanDerWaalsContact O-CG1 3.28Å; Y170-I174 WeakPolarHBondContact O-CG1 3.35Å; Y170-I174 PolarHBondContact O-N 2.88Å; Y170-N186 HydrophobicContact CD1-CB 3.96Å; Y170-N186 HydrophobicContact CD2-CB 4.19Å; Y170-N186 HydrophobicContact CE1-CB 3.53Å; Y170-N186 HydrophobicContact CE2-CB 3.8Å; Y170-N186 HydrophobicContact CG-CB 4.27Å; Y170-N186 VanDerWaalsContact CZ-CB 3.43Å; Y170-L187 HydrophobicContact CD2-CB 4.49Å; Y170-V190 HydrophobicContact CD2-CG2 4.23Å; Y170-V190 HydrophobicContact CE2-CG2 3.85Å |
| 171 | L | 94.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 44% | 0.44 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 176.3 | -75.8 | 171.8 | 0 | 0 | 0 | 111.4 | K167 I174 E175 L187 | K167-L171 HydrophobicContact CG-CD1 4.04Å; K167-L171 WeakPolarHBondContact O-CB 3.15Å; K167-L171 WeakPolarHBondContact O-CG 3.25Å; K167-L171 PolarHBondContact O-N 3.36Å; L171-I174 PolarHBondContact O-N 2.82Å; L171-E175 PolarHBondContact O-N 3.11Å; L171-L187 HydrophobicContact CD2-CD2 3.62Å; L171-L187 HydrophobicContact CG-CD2 4.1Å |
| 172 | K | 93.6 | Very high | 93.6 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71 | -32.5 | 179.7 | -172.5 | 65.9 | -179.4 | -178.3 | 0 | 112.3 | A168 C169 Y170 E175 T176 | A168-K172 WeakPolarHBondContact O-CB 3.49Å; A168-K172 PolarHBondContact O-N 3.45Å; C169-K172 PolarHBondContact O-N 3.48Å; Y170-K172 VanDerWaalsContact C-N 3.32Å; Y170-K172 PolarHBondContact O-N 2.84Å; K172-E175 HydrophobicContact CD-CB 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.38Å; K172-E175 WeakPolarHBondContact CE-OE2 3.35Å; K172-E175 IonicContact NZ-OE1 2.83Å; K172-E175 PolarHBondContact NZ-OE1 3.41Å; K172-E175 IonicContact NZ-OE2 2.73Å; K172-E175 PolarHBondContact NZ-OE2 2.91Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-T176 PolarHBondContact O-N 2.95Å; K172-T176 VanDerWaalsContact O-N 3.09Å; K172-T176 PolarHBondContact O-OG1 3.45Å; K172-T176 VanDerWaalsContact O-OG1 3.13Å |
| 173 | A | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R150 C169 Y170 T176 Q177 A183 | R150-A173 HydrophobicContact CB-CB 4.38Å; R150-A173 HydrophobicContact CG-CB 4.34Å; C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 3.14Å; Y170-A173 PolarHBondContact O-N 3.34Å; A173-T176 PolarHBondContact O-N 3.35Å; A173-Q177 PolarHBondContact O-N 3.14Å; A173-A183 HydrophobicContact CB-CB 4.3Å |
| 174 | I | 94.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 174.4 | -69.3 | 163.5 | 0 | 0 | 0 | 111.1 | Y170 L171 T176 Q177 P178 A183 W184 L187 | Y170-I174 VanDerWaalsContact O-CG1 3.28Å; Y170-I174 WeakPolarHBondContact O-CG1 3.35Å; Y170-I174 PolarHBondContact O-N 2.88Å; L171-I174 PolarHBondContact O-N 2.82Å; I174-T176 VanDerWaalsContact C-N 3.3Å; I174-T176 PolarHBondContact O-N 3.41Å; I174-Q177 CarbonylContact O-C 3.14Å; I174-Q177 PolarHBondContact O-N 2.95Å; I174-P178 WeakPolarHBondContact O-CA 3.44Å; I174-P178 WeakPolarHBondContact O-CD 3.29Å; I174-A183 HydrophobicContact CD1-CB 4.25Å; I174-A183 HydrophobicContact CG1-CB 3.74Å; I174-W184 HydrophobicContact CD1-CD2 3.73Å; I174-W184 HydrophobicContact CD1-CE3 4.1Å; I174-W184 HydrophobicContact CD1-CG 3.99Å; I174-W184 HydrophobicContact CD1-CZ2 4.35Å; I174-W184 HydrophobicContact CG1-CD2 4.29Å; I174-W184 HydrophobicContact CG1-CG 4.33Å; I174-W184 HydrophobicContact CG2-CD2 4.5Å; I174-W184 HydrophobicContact CG2-CH2 4.08Å; I174-W184 HydrophobicContact CG2-CZ2 3.32Å; I174-L187 HydrophobicContact CD1-CD2 3.86Å |
| 175 | E | 93.6 | Very high | 94.1 | Very high | 130 Ų | 130 | 46.3 Ų | 46.3 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.4 | -41.6 | 176.4 | -166.7 | -169.5 | 150.4 | 0 | 0 | 111.2 | L171 K172 | L171-E175 PolarHBondContact O-N 3.11Å; K172-E175 HydrophobicContact CD-CB 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.38Å; K172-E175 WeakPolarHBondContact CE-OE2 3.35Å; K172-E175 IonicContact NZ-OE1 2.83Å; K172-E175 PolarHBondContact NZ-OE1 3.41Å; K172-E175 IonicContact NZ-OE2 2.73Å; K172-E175 PolarHBondContact NZ-OE2 2.91Å; K172-E175 PolarHBondContact O-N 2.88Å |
| 176 | T | 91.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.7 | -45.1 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | D145 Y147 K172 A173 I174 | D145-T176 HydrophobicContact CB-CG2 4.22Å; D145-T176 WeakPolarHBondContact O-CG2 3.24Å; Y147-T176 HydrophobicContact CD1-CG2 4.44Å; K172-T176 PolarHBondContact O-N 2.95Å; K172-T176 VanDerWaalsContact O-N 3.09Å; K172-T176 PolarHBondContact O-OG1 3.45Å; K172-T176 VanDerWaalsContact O-OG1 3.13Å; A173-T176 PolarHBondContact O-N 3.35Å; I174-T176 VanDerWaalsContact C-N 3.3Å; I174-T176 PolarHBondContact O-N 3.41Å |
| 177 | Q | 93.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | trans | -133.9 | 92.4 | 179.1 | -174.2 | 59.9 | 35.1 | 0 | 0 | 111.1 | Y147 A173 I174 N179 F180 | Y147-Q177 HydrophobicContact CD1-CB 3.79Å; Y147-Q177 HydrophobicContact CD1-CG 4.42Å; Y147-Q177 HydrophobicContact CD2-CB 3.93Å; Y147-Q177 HydrophobicContact CD2-CG 4.36Å; Y147-Q177 HydrophobicContact CE1-CB 4.08Å; Y147-Q177 HydrophobicContact CE1-CG 4.2Å; Y147-Q177 HydrophobicContact CE2-CB 4.21Å; Y147-Q177 HydrophobicContact CE2-CG 4.14Å; Y147-Q177 HydrophobicContact CG-CB 3.72Å; A173-Q177 PolarHBondContact O-N 3.14Å; I174-Q177 CarbonylContact O-C 3.14Å; I174-Q177 PolarHBondContact O-N 2.95Å; Q177-N179 PolarHBondContact O-N 2.87Å; Q177-N179 VanDerWaalsContact O-N 3.09Å; Q177-F180 HydrophobicContact CB-CB 4.3Å; Q177-F180 HydrophobicContact CG-CB 4.15Å; Q177-F180 VanDerWaalsContact O-CB 3.3Å; Q177-F180 WeakPolarHBondContact O-CB 3.37Å; Q177-F180 PolarHBondContact O-N 2.65Å; Q177-F180 VanDerWaalsContact O-N 3.08Å | ||
| 178 | P | 93.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 40.3 Ų | 40.3 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.7 | -173.8 | -29.4 | 36.5 | 0 | 0 | 0 | 115.3 | I174 F180 W184 | I174-P178 WeakPolarHBondContact O-CA 3.44Å; I174-P178 WeakPolarHBondContact O-CD 3.29Å; P178-F180 VanDerWaalsContact C-N 3.28Å; P178-F180 PolarHBondContact O-N 3.14Å; P178-W184 PolarHBondContact O-NE1 3.41Å |
| 179 | N | 92.9 | Very high | 94.1 | Very high | 112 Ų | 112 | 39 Ų | 39 | 60% | 0.599 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 7.9 | -178.2 | -61.6 | -14.7 | 0 | 0 | 0 | 113.4 | Q177 A181 L210 | Q177-N179 PolarHBondContact O-N 2.87Å; Q177-N179 VanDerWaalsContact O-N 3.09Å; N179-A181 PolarHBondContact O-N 3.08Å; N179-L210 HydrophobicContact CB-CD2 4.19Å |
| 180 | F | 93.7 | Very high | 94.1 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | trans | -80.5 | 86 | -176.9 | -172.8 | -140.4 | 0 | 0 | 0 | 112.2 | Y147 Q177 P178 V182 A183 | Y147-F180 HydrophobicContact CD2-CB 4.3Å; Y147-F180 AromaticContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD2 4.24Å; Y147-F180 AromaticContact CD2-CE1 3.93Å; Y147-F180 HydrophobicContact CD2-CE1 3.93Å; Y147-F180 AromaticContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CZ 4.36Å; Y147-F180 HydrophobicContact CE2-CB 4.43Å; Y147-F180 HydrophobicContact CE2-CD1 4.21Å; Y147-F180 AromaticContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CE1 4.43Å; Y147-F180 HydrophobicContact CE2-CE2 4.21Å; Y147-F180 AromaticContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CZ 4.45Å; Q177-F180 HydrophobicContact CB-CB 4.3Å; Q177-F180 HydrophobicContact CG-CB 4.15Å; Q177-F180 VanDerWaalsContact O-CB 3.3Å; Q177-F180 WeakPolarHBondContact O-CB 3.37Å; Q177-F180 PolarHBondContact O-N 2.65Å; Q177-F180 VanDerWaalsContact O-N 3.08Å; P178-F180 VanDerWaalsContact C-N 3.28Å; P178-F180 PolarHBondContact O-N 3.14Å; F180-V182 HydrophobicContact CD2-CB 4.37Å; F180-V182 HydrophobicContact CE1-CB 4.39Å; F180-V182 HydrophobicContact CE2-CB 3.81Å; F180-V182 HydrophobicContact CE2-CG2 4.04Å; F180-V182 HydrophobicContact CZ-CB 3.82Å; F180-V182 HydrophobicContact CZ-CG1 4.32Å; F180-V182 HydrophobicContact CZ-CG2 4.44Å; F180-V182 PolarHBondContact O-N 3.42Å; F180-V182 VanDerWaalsContact O-N 3.15Å; F180-A183 HydrophobicContact CD1-CB 3.53Å; F180-A183 HydrophobicContact CE1-CB 4.01Å; F180-A183 HydrophobicContact CG-CB 4.37Å; F180-A183 PolarHBondContact O-N 3.12Å; F180-A183 VanDerWaalsContact O-N 3.14Å | ||
| 181 | A | 94.1 | Very high | 94 | Very high | 8 Ų | 8 | 39 Ų | 39 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.9 | -36.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N179 A183 W184 S185 L210 D211 F214 | N179-A181 PolarHBondContact O-N 3.08Å; A181-A183 PolarHBondContact O-N 3.32Å; A181-W184 WeakPolarHBondContact O-CB 3.34Å; A181-W184 PolarHBondContact O-N 2.82Å; A181-S185 PolarHBondContact O-N 3.17Å; A181-L210 HydrophobicContact CB-CB 3.85Å; A181-D211 HydrophobicContact CB-CB 3.67Å; A181-F214 HydrophobicContact CB-CD1 4.12Å; A181-F214 HydrophobicContact CB-CE1 4.42Å |
| 182 | V | 93.8 | Very high | 93.8 | Very high | 54 Ų | 54 | 37.4 Ų | 37.4 | 33% | 0.327 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -43.1 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | F180 W184 S185 N186 F214 | F180-V182 HydrophobicContact CD2-CB 4.37Å; F180-V182 HydrophobicContact CE1-CB 4.39Å; F180-V182 HydrophobicContact CE2-CB 3.81Å; F180-V182 HydrophobicContact CE2-CG2 4.04Å; F180-V182 HydrophobicContact CZ-CB 3.82Å; F180-V182 HydrophobicContact CZ-CG1 4.32Å; F180-V182 HydrophobicContact CZ-CG2 4.44Å; F180-V182 PolarHBondContact O-N 3.42Å; F180-V182 VanDerWaalsContact O-N 3.15Å; V182-W184 PolarHBondContact O-N 2.79Å; V182-S185 PolarHBondContact O-N 2.72Å; V182-N186 WeakPolarHBondContact O-CB 3.42Å; V182-N186 PolarHBondContact O-N 3.01Å; V182-N186 PolarHBondContact O-ND2 3.44Å; V182-F214 HydrophobicContact CG2-CE1 4.31Å; V182-F214 HydrophobicContact CG2-CZ 4.19Å |
| 183 | A | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.8 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | A173 I174 F180 A181 N186 L187 | A173-A183 HydrophobicContact CB-CB 4.3Å; I174-A183 HydrophobicContact CD1-CB 4.25Å; I174-A183 HydrophobicContact CG1-CB 3.74Å; F180-A183 HydrophobicContact CD1-CB 3.53Å; F180-A183 HydrophobicContact CE1-CB 4.01Å; F180-A183 HydrophobicContact CG-CB 4.37Å; F180-A183 PolarHBondContact O-N 3.12Å; F180-A183 VanDerWaalsContact O-N 3.14Å; A181-A183 PolarHBondContact O-N 3.32Å; A183-N186 PolarHBondContact O-N 3.44Å; A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.14Å; A183-L187 PolarHBondContact O-N 2.93Å |
| 184 | W | 96.5 | Very high | 93.3 | Very high | 40 Ų | 40 | 40 Ų | 40 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 173.9 | -73.6 | 99.6 | 0 | 0 | 0 | 112.3 | I174 P178 A181 V182 L187 G188 H203 K206 A207 L210 | I174-W184 HydrophobicContact CD1-CD2 3.73Å; I174-W184 HydrophobicContact CD1-CE3 4.1Å; I174-W184 HydrophobicContact CD1-CG 3.99Å; I174-W184 HydrophobicContact CD1-CZ2 4.35Å; I174-W184 HydrophobicContact CG1-CD2 4.29Å; I174-W184 HydrophobicContact CG1-CG 4.33Å; I174-W184 HydrophobicContact CG2-CD2 4.5Å; I174-W184 HydrophobicContact CG2-CH2 4.08Å; I174-W184 HydrophobicContact CG2-CZ2 3.32Å; P178-W184 PolarHBondContact O-NE1 3.41Å; A181-W184 WeakPolarHBondContact O-CB 3.34Å; A181-W184 PolarHBondContact O-N 2.82Å; V182-W184 PolarHBondContact O-N 2.79Å; W184-L187 PolarHBondContact O-N 3.28Å; W184-G188 PolarHBondContact O-N 3.12Å; W184-H203 AromaticContact CE3-CD2 3.48Å; W184-H203 VanDerWaalsContact CE3-CD2 3.48Å; W184-H203 AromaticContact CZ3-CD2 3.57Å; W184-H203 AromaticContact CZ3-NE2 3.89Å; W184-K206 HydrophobicContact CD2-CB 4.2Å; W184-K206 HydrophobicContact CD2-CG 3.7Å; W184-K206 HydrophobicContact CE3-CB 3.97Å; W184-K206 HydrophobicContact CE3-CG 3.8Å; W184-K206 HydrophobicContact CG-CG 4.21Å; W184-K206 HydrophobicContact CH2-CG 4.29Å; W184-K206 HydrophobicContact CZ2-CG 4.16Å; W184-K206 HydrophobicContact CZ3-CB 4.46Å; W184-K206 HydrophobicContact CZ3-CG 4.11Å; W184-A207 HydrophobicContact CB-CB 3.94Å; W184-L210 HydrophobicContact CG-CD1 4.19Å |
| 185 | S | 95.5 | Very high | 93 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 177.8 | -178 | 0 | 0 | 0 | 0 | 111.9 | A181 V182 L187 G188 C189 F204 | A181-S185 PolarHBondContact O-N 3.17Å; V182-S185 PolarHBondContact O-N 2.72Å; S185-L187 VanDerWaalsContact C-N 3.35Å; S185-L187 PolarHBondContact O-N 3.09Å; S185-G188 PolarHBondContact O-N 3.2Å; S185-C189 PolarHBondContact O-N 2.86Å; S185-C189 PolarHBondContact O-SG 3.16Å; S185-F204 WeakPolarHBondContact O-CE1 3.34Å |
| 186 | N | 94.5 | Very high | 92.9 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 176.9 | -81.1 | -41.5 | 0 | 0 | 0 | 112.9 | N155 K158 Y170 V182 A183 G188 C189 V190 | N155-N186 VanDerWaalsContact OD1-CG 3.3Å; N155-N186 PolarHBondContact OD1-ND2 3.17Å; K158-N186 PolarHBondContact NZ-OD1 3.09Å; Y170-N186 HydrophobicContact CD1-CB 3.96Å; Y170-N186 HydrophobicContact CD2-CB 4.19Å; Y170-N186 HydrophobicContact CE1-CB 3.53Å; Y170-N186 HydrophobicContact CE2-CB 3.8Å; Y170-N186 HydrophobicContact CG-CB 4.27Å; Y170-N186 VanDerWaalsContact CZ-CB 3.43Å; V182-N186 WeakPolarHBondContact O-CB 3.42Å; V182-N186 PolarHBondContact O-N 3.01Å; V182-N186 PolarHBondContact O-ND2 3.44Å; A183-N186 PolarHBondContact O-N 3.44Å; N186-G188 VanDerWaalsContact C-N 3.34Å; N186-C189 WeakPolarHBondContact O-CB 3.45Å; N186-C189 PolarHBondContact O-N 3.22Å; N186-V190 PolarHBondContact O-N 2.92Å; N186-V190 VanDerWaalsContact O-N 3.11Å |
| 187 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 173.2 | -176.5 | 56.3 | 0 | 0 | 0 | 111.5 | K167 Y170 L171 I174 A183 W184 S185 C189 V190 F191 H203 | K167-L187 HydrophobicContact CB-CD1 4.38Å; K167-L187 HydrophobicContact CG-CD1 3.8Å; Y170-L187 HydrophobicContact CD2-CB 4.49Å; L171-L187 HydrophobicContact CD2-CD2 3.62Å; L171-L187 HydrophobicContact CG-CD2 4.1Å; I174-L187 HydrophobicContact CD1-CD2 3.86Å; A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.14Å; A183-L187 PolarHBondContact O-N 2.93Å; W184-L187 PolarHBondContact O-N 3.28Å; S185-L187 VanDerWaalsContact C-N 3.35Å; S185-L187 PolarHBondContact O-N 3.09Å; L187-C189 VanDerWaalsContact C-N 3.32Å; L187-C189 PolarHBondContact O-N 3.09Å; L187-V190 PolarHBondContact O-N 2.9Å; L187-V190 VanDerWaalsContact O-N 3.16Å; L187-F191 HydrophobicContact CD1-CD2 4.13Å; L187-F191 HydrophobicContact CD1-CE2 3.69Å; L187-F191 HydrophobicContact CD1-CZ 4.37Å; L187-F191 HydrophobicContact CD2-CE2 4.25Å; L187-F191 HydrophobicContact CG-CD2 4.02Å; L187-F191 HydrophobicContact CG-CE2 3.69Å; L187-F191 WeakPolarHBondContact O-CD2 3.29Å; L187-F191 PolarHBondContact O-N 3.12Å; L187-H203 VanDerWaalsContact CD2-CD2 3.44Å; L187-H203 WeakPolarHBondContact CD2-CD2 3.19Å |
| 188 | G | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W184 S185 N186 V190 F191 N192 F204 | W184-G188 PolarHBondContact O-N 3.12Å; S185-G188 PolarHBondContact O-N 3.2Å; N186-G188 VanDerWaalsContact C-N 3.34Å; G188-V190 VanDerWaalsContact C-N 3.33Å; G188-V190 PolarHBondContact O-N 3.33Å; G188-F191 PolarHBondContact O-N 3.11Å; G188-N192 WeakPolarHBondContact O-CB 3.46Å; G188-N192 PolarHBondContact O-N 2.81Å; G188-F204 VanDerWaalsContact C-CZ 3.4Å |
| 189 | C | 93.8 | Very high | 92.9 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 174.2 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | S185 N186 L187 N192 A193 | S185-C189 PolarHBondContact O-N 2.86Å; S185-C189 PolarHBondContact O-SG 3.16Å; N186-C189 WeakPolarHBondContact O-CB 3.45Å; N186-C189 PolarHBondContact O-N 3.22Å; L187-C189 VanDerWaalsContact C-N 3.32Å; L187-C189 PolarHBondContact O-N 3.09Å; C189-N192 PolarHBondContact O-N 2.95Å; C189-A193 PolarHBondContact O-N 3.15Å |
| 190 | V | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -46.5 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | K158 L163 K167 Y170 N186 L187 G188 N192 A193 Q194 | K158-V190 HydrophobicContact CD-CG2 4.19Å; K158-V190 HydrophobicContact CG-CG2 4.46Å; L163-V190 HydrophobicContact CB-CG1 4.21Å; K167-V190 HydrophobicContact CB-CG1 4.28Å; Y170-V190 HydrophobicContact CD2-CG2 4.23Å; Y170-V190 HydrophobicContact CE2-CG2 3.85Å; N186-V190 PolarHBondContact O-N 2.92Å; N186-V190 VanDerWaalsContact O-N 3.11Å; L187-V190 PolarHBondContact O-N 2.9Å; L187-V190 VanDerWaalsContact O-N 3.16Å; G188-V190 VanDerWaalsContact C-N 3.33Å; G188-V190 PolarHBondContact O-N 3.33Å; V190-N192 VanDerWaalsContact C-N 3.28Å; V190-N192 PolarHBondContact O-N 3.32Å; V190-A193 PolarHBondContact O-N 3.18Å; V190-Q194 WeakPolarHBondContact O-CG 3.42Å; V190-Q194 PolarHBondContact O-N 2.9Å |
| 191 | F | 93.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -36.8 | 176.5 | -77.7 | -59.3 | 0 | 0 | 0 | 112.5 | L187 G188 Q194 G195 E196 L199 A200 H203 | L187-F191 HydrophobicContact CD1-CD2 4.13Å; L187-F191 HydrophobicContact CD1-CE2 3.69Å; L187-F191 HydrophobicContact CD1-CZ 4.37Å; L187-F191 HydrophobicContact CD2-CE2 4.25Å; L187-F191 HydrophobicContact CG-CD2 4.02Å; L187-F191 HydrophobicContact CG-CE2 3.69Å; L187-F191 WeakPolarHBondContact O-CD2 3.29Å; L187-F191 PolarHBondContact O-N 3.12Å; G188-F191 PolarHBondContact O-N 3.11Å; F191-Q194 PolarHBondContact O-N 2.81Å; F191-G195 PolarHBondContact O-N 2.79Å; F191-E196 HydrophobicContact CB-CB 4.32Å; F191-E196 HydrophobicContact CD1-CB 4.12Å; F191-E196 HydrophobicContact CD1-CG 4.5Å; F191-E196 PolarHBondContact O-N 3.17Å; F191-L199 HydrophobicContact CB-CB 4.18Å; F191-L199 HydrophobicContact CD1-CB 4.03Å; F191-L199 HydrophobicContact CD1-CD1 3.92Å; F191-L199 HydrophobicContact CD2-CB 4.17Å; F191-L199 HydrophobicContact CE1-CB 4.46Å; F191-L199 HydrophobicContact CE1-CD1 3.76Å; F191-L199 HydrophobicContact CG-CB 3.88Å; F191-L199 HydrophobicContact CZ-CD1 4.28Å; F191-A200 HydrophobicContact CB-CB 4.14Å; F191-H203 AromaticContact CD2-CE1 3.82Å; F191-H203 AromaticContact CD2-ND1 3.81Å; F191-H203 AromaticContact CE2-CE1 3.41Å; F191-H203 VanDerWaalsContact CE2-CE1 3.41Å; F191-H203 WeakPolarHBondContact CE2-CE1 3.45Å; F191-H203 AromaticContact CE2-ND1 3.89Å; F191-H203 AromaticContact CE2-NE2 3.63Å |
| 192 | N | 91.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 174.4 | -167.4 | 39.5 | 0 | 0 | 0 | 111.5 | G188 C189 V190 Q194 G195 A200 V224 | G188-N192 WeakPolarHBondContact O-CB 3.46Å; G188-N192 PolarHBondContact O-N 2.81Å; C189-N192 PolarHBondContact O-N 2.95Å; V190-N192 VanDerWaalsContact C-N 3.28Å; V190-N192 PolarHBondContact O-N 3.32Å; N192-Q194 PolarHBondContact O-N 3.39Å; N192-G195 PolarHBondContact O-N 2.76Å; N192-A200 HydrophobicContact CB-CB 3.94Å; N192-V224 HydrophobicContact CB-CG2 4.22Å; N192-V224 VanDerWaalsContact CG-CG2 3.5Å; N192-V224 WeakPolarHBondContact OD1-CG2 3.36Å |
| 193 | A | 88.4 | Confident | 93.3 | Very high | 71 Ų | 71 | 42 Ų | 42 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.9 | -23.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L163 C189 V190 | L163-A193 HydrophobicContact CD1-CB 4.27Å; C189-A193 PolarHBondContact O-N 3.15Å; V190-A193 PolarHBondContact O-N 3.18Å |
| 194 | Q | 88.5 | Confident | 93.4 | Very high | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.6 | 174 | -68.6 | -178.1 | -28.3 | 0 | 0 | 113.6 | L163 E164 V190 F191 N192 E196 | L163-Q194 HydrophobicContact CD1-CG 4.46Å; E164-Q194 PolarHBondContact OE1-NE2 3.06Å; V190-Q194 WeakPolarHBondContact O-CG 3.42Å; V190-Q194 PolarHBondContact O-N 2.9Å; F191-Q194 PolarHBondContact O-N 2.81Å; N192-Q194 PolarHBondContact O-N 3.39Å; Q194-E196 VanDerWaalsContact C-N 3.32Å; Q194-E196 HydrophobicContact CB-CG 4.42Å |
| 195 | G | 86.5 | Confident | 93.4 | Very high | 52 Ų | 52 | 43.5 Ų | 43.5 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 6.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F191 N192 I197 | F191-G195 PolarHBondContact O-N 2.79Å; N192-G195 PolarHBondContact O-N 2.76Å; G195-I197 VanDerWaalsContact C-N 3.26Å; G195-I197 PolarHBondContact O-N 3.05Å |
| 196 | E | 92.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 47.4 Ų | 47.4 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | trans | -84.4 | 66.6 | -180 | -66.8 | -66.9 | 168.3 | 0 | 0 | 110.9 | F191 Q194 W198 L199 A200 | F191-E196 HydrophobicContact CB-CB 4.32Å; F191-E196 HydrophobicContact CD1-CB 4.12Å; F191-E196 HydrophobicContact CD1-CG 4.5Å; F191-E196 PolarHBondContact O-N 3.17Å; Q194-E196 VanDerWaalsContact C-N 3.32Å; Q194-E196 HydrophobicContact CB-CG 4.42Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.93Å; E196-L199 HydrophobicContact CB-CB 4.22Å; E196-L199 HydrophobicContact CB-CD1 4.15Å; E196-L199 HydrophobicContact CG-CD1 4.45Å; E196-L199 PolarHBondContact O-N 3.08Å; E196-L199 VanDerWaalsContact O-N 3.1Å; E196-A200 PolarHBondContact O-N 3.44Å | ||
| 197 | I | 91.9 | Very high | 93.5 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51 | -46 | -170.9 | -67.8 | 173.8 | 0 | 0 | 0 | 112.6 | G195 L199 A200 I201 V224 A228 | G195-I197 VanDerWaalsContact C-N 3.26Å; G195-I197 PolarHBondContact O-N 3.05Å; I197-L199 PolarHBondContact O-N 2.93Å; I197-A200 WeakPolarHBondContact O-CB 3.32Å; I197-A200 PolarHBondContact O-N 3.31Å; I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.47Å; I197-V224 HydrophobicContact CB-CG1 4.43Å; I197-V224 HydrophobicContact CG2-CG1 3.75Å; I197-A228 HydrophobicContact CG2-CB 3.74Å |
| 198 | W | 92.3 | Very high | 93.5 | Very high | 176 Ų | 176 | 47 Ų | 47 | 67% | 0.667 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.3 | -37 | -177.5 | -71.1 | 109.1 | 0 | 0 | 0 | 113.1 | E196 I201 H202 I230 | E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.93Å; W198-I201 HydrophobicContact CE3-CD1 4.15Å; W198-I201 HydrophobicContact CZ3-CD1 4.43Å; W198-H202 PolarHBondContact O-N 2.93Å; W198-H202 VanDerWaalsContact O-N 3.11Å; W198-I230 HydrophobicContact CH2-CD1 3.47Å; W198-I230 VanDerWaalsContact CH2-CD1 3.47Å; W198-I230 HydrophobicContact CZ2-CD1 4.33Å; W198-I230 HydrophobicContact CZ3-CD1 3.72Å |
| 199 | L | 93.8 | Very high | 93.5 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 174.6 | -70.6 | 175.1 | 0 | 0 | 0 | 110.4 | F191 E196 I197 I201 H202 H203 | F191-L199 HydrophobicContact CB-CB 4.18Å; F191-L199 HydrophobicContact CD1-CB 4.03Å; F191-L199 HydrophobicContact CD1-CD1 3.92Å; F191-L199 HydrophobicContact CD2-CB 4.17Å; F191-L199 HydrophobicContact CE1-CB 4.46Å; F191-L199 HydrophobicContact CE1-CD1 3.76Å; F191-L199 HydrophobicContact CG-CB 3.88Å; F191-L199 HydrophobicContact CZ-CD1 4.28Å; E196-L199 HydrophobicContact CB-CB 4.22Å; E196-L199 HydrophobicContact CB-CD1 4.15Å; E196-L199 HydrophobicContact CG-CD1 4.45Å; E196-L199 PolarHBondContact O-N 3.08Å; E196-L199 VanDerWaalsContact O-N 3.1Å; I197-L199 PolarHBondContact O-N 2.93Å; L199-I201 PolarHBondContact O-N 3.1Å; L199-H202 PolarHBondContact O-N 2.87Å; L199-H203 PolarHBondContact O-N 3.49Å; L199-H203 PolarHBondContact O-ND1 3.47Å |
| 200 | A | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58 | -49 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F191 N192 E196 I197 H202 H203 F204 V224 | F191-A200 HydrophobicContact CB-CB 4.14Å; N192-A200 HydrophobicContact CB-CB 3.94Å; E196-A200 PolarHBondContact O-N 3.44Å; I197-A200 WeakPolarHBondContact O-CB 3.32Å; I197-A200 PolarHBondContact O-N 3.31Å; A200-H202 PolarHBondContact O-N 3.35Å; A200-H203 PolarHBondContact O-N 2.93Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 HydrophobicContact CB-CE2 4.18Å; A200-F204 WeakPolarHBondContact O-CD2 3.46Å; A200-F204 WeakPolarHBondContact O-CG 3.5Å; A200-F204 PolarHBondContact O-N 2.81Å; A200-V224 HydrophobicContact CB-CG1 4.17Å; A200-V224 HydrophobicContact CB-CG2 4.46Å |
| 201 | I | 96.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.7 | -51 | 175.9 | -68.1 | 164.3 | 0 | 0 | 0 | 110.6 | I197 W198 L199 H203 F204 E205 L221 V224 L225 A228 I230 | I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.47Å; W198-I201 HydrophobicContact CE3-CD1 4.15Å; W198-I201 HydrophobicContact CZ3-CD1 4.43Å; L199-I201 PolarHBondContact O-N 3.1Å; I201-H203 VanDerWaalsContact C-N 3.32Å; I201-H203 PolarHBondContact O-N 3.13Å; I201-F204 PolarHBondContact O-N 3.21Å; I201-E205 HydrophobicContact CG2-CG 4.35Å; I201-E205 WeakPolarHBondContact O-CG 3.34Å; I201-E205 PolarHBondContact O-N 3.31Å; I201-L221 HydrophobicContact CG2-CD1 4.07Å; I201-V224 HydrophobicContact CD1-CG1 4.19Å; I201-V224 HydrophobicContact CG1-CB 4.36Å; I201-V224 HydrophobicContact CG1-CG1 3.64Å; I201-L225 HydrophobicContact CD1-CD2 3.81Å; I201-L225 HydrophobicContact CG1-CD2 4.05Å; I201-L225 HydrophobicContact CG1-CG 4.38Å; I201-L225 HydrophobicContact CG2-CD2 4.1Å; I201-A228 HydrophobicContact CD1-CB 4.31Å; I201-I230 HydrophobicContact CD1-CD1 4.31Å |
| 202 | H | 95.5 | Very high | 93.6 | Very high | 104 Ų | 104 | 57.9 Ų | 57.9 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.2 | -45.2 | -178.9 | 177.9 | 72.7 | 0 | 0 | 0 | 112.6 | W198 L199 A200 E205 K206 | W198-H202 PolarHBondContact O-N 2.93Å; W198-H202 VanDerWaalsContact O-N 3.11Å; L199-H202 PolarHBondContact O-N 2.87Å; A200-H202 PolarHBondContact O-N 3.35Å; H202-E205 PolarHBondContact O-N 3.48Å; H202-K206 PolarHBondContact O-N 2.92Å |
| 203 | H | 95.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.9 | -36.9 | -177.7 | -71.4 | 76.9 | 0 | 0 | 0 | 112.2 | W184 L187 F191 L199 A200 I201 K206 A207 | W184-H203 AromaticContact CE3-CD2 3.48Å; W184-H203 VanDerWaalsContact CE3-CD2 3.48Å; W184-H203 AromaticContact CZ3-CD2 3.57Å; W184-H203 AromaticContact CZ3-NE2 3.89Å; L187-H203 VanDerWaalsContact CD2-CD2 3.44Å; L187-H203 WeakPolarHBondContact CD2-CD2 3.19Å; F191-H203 AromaticContact CD2-CE1 3.82Å; F191-H203 AromaticContact CD2-ND1 3.81Å; F191-H203 AromaticContact CE2-CE1 3.41Å; F191-H203 VanDerWaalsContact CE2-CE1 3.41Å; F191-H203 WeakPolarHBondContact CE2-CE1 3.45Å; F191-H203 AromaticContact CE2-ND1 3.89Å; F191-H203 AromaticContact CE2-NE2 3.63Å; L199-H203 PolarHBondContact O-N 3.49Å; L199-H203 PolarHBondContact O-ND1 3.47Å; A200-H203 PolarHBondContact O-N 2.93Å; I201-H203 VanDerWaalsContact C-N 3.32Å; I201-H203 PolarHBondContact O-N 3.13Å; H203-K206 PolarHBondContact O-N 2.61Å; H203-A207 PolarHBondContact O-N 2.8Å |
| 204 | F | 97 | Very high | 94 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 173 | -70.5 | -52.3 | 0 | 0 | 0 | 112.3 | S185 G188 A200 I201 K206 A207 V208 N220 L221 V224 | S185-F204 WeakPolarHBondContact O-CE1 3.34Å; G188-F204 VanDerWaalsContact C-CZ 3.4Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 HydrophobicContact CB-CE2 4.18Å; A200-F204 WeakPolarHBondContact O-CD2 3.46Å; A200-F204 WeakPolarHBondContact O-CG 3.5Å; A200-F204 PolarHBondContact O-N 2.81Å; I201-F204 PolarHBondContact O-N 3.21Å; F204-K206 VanDerWaalsContact C-N 3.29Å; F204-K206 PolarHBondContact O-N 3.22Å; F204-A207 WeakPolarHBondContact O-CB 3.32Å; F204-A207 PolarHBondContact O-N 2.55Å; F204-A207 VanDerWaalsContact O-N 3.16Å; F204-V208 PolarHBondContact O-N 3.01Å; F204-N220 HydrophobicContact CD1-CB 4.08Å; F204-N220 HydrophobicContact CD2-CB 4.42Å; F204-N220 HydrophobicContact CE1-CB 3.53Å; F204-N220 HydrophobicContact CE2-CB 3.92Å; F204-N220 HydrophobicContact CZ-CB 3.45Å; F204-N220 VanDerWaalsContact CZ-CB 3.45Å; F204-L221 HydrophobicContact CB-CB 3.89Å; F204-L221 HydrophobicContact CB-CD1 3.94Å; F204-L221 HydrophobicContact CB-CG 4.37Å; F204-L221 HydrophobicContact CG-CB 4.46Å; F204-V224 HydrophobicContact CD2-CG2 4.43Å; F204-V224 HydrophobicContact CE2-CG2 3.93Å |
| 205 | E | 95.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 57.7 Ų | 57.7 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 173.9 | -74.5 | -170.3 | 131.9 | 0 | 0 | 112.1 | I201 H202 V208 T209 L221 R233 | I201-E205 HydrophobicContact CG2-CG 4.35Å; I201-E205 WeakPolarHBondContact O-CG 3.34Å; I201-E205 PolarHBondContact O-N 3.31Å; H202-E205 PolarHBondContact O-N 3.48Å; E205-V208 VanDerWaalsContact O-CG2 3.29Å; E205-V208 WeakPolarHBondContact O-CG2 3.35Å; E205-T209 WeakPolarHBondContact O-CB 3.19Å; E205-T209 PolarHBondContact O-N 2.76Å; E205-T209 PolarHBondContact O-OG1 3.02Å; E205-L221 HydrophobicContact CG-CD1 4Å; E205-L221 HydrophobicContact CG-CD2 4.08Å; E205-R233 IonicContact OE1-CZ 3.09Å; E205-R233 IonicContact OE1-NE 3.91Å; E205-R233 IonicContact OE1-NH2 3.72Å; E205-R233 PolarHBondContact OE1-NH2 2.88Å; E205-R233 IonicContact OE2-NH2 3.91Å; E205-R233 PolarHBondContact OE2-NH2 3.01Å |
| 206 | K | 95.7 | Very high | 94.6 | Very high | 87 Ų | 87 | 59.8 Ų | 59.8 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.5 | -167.3 | 62.5 | 174.8 | -179.6 | 0 | 111.5 | W184 H202 H203 F204 T209 L210 | W184-K206 HydrophobicContact CD2-CB 4.2Å; W184-K206 HydrophobicContact CD2-CG 3.7Å; W184-K206 HydrophobicContact CE3-CB 3.97Å; W184-K206 HydrophobicContact CE3-CG 3.8Å; W184-K206 HydrophobicContact CG-CG 4.21Å; W184-K206 HydrophobicContact CH2-CG 4.29Å; W184-K206 HydrophobicContact CZ2-CG 4.16Å; W184-K206 HydrophobicContact CZ3-CB 4.46Å; W184-K206 HydrophobicContact CZ3-CG 4.11Å; H202-K206 PolarHBondContact O-N 2.92Å; H203-K206 PolarHBondContact O-N 2.61Å; F204-K206 VanDerWaalsContact C-N 3.29Å; F204-K206 PolarHBondContact O-N 3.22Å; K206-T209 PolarHBondContact O-N 3.4Å; K206-L210 HydrophobicContact CG-CD1 4.27Å; K206-L210 WeakPolarHBondContact O-CG 3.42Å; K206-L210 PolarHBondContact O-N 3.47Å; K206-L210 VanDerWaalsContact O-N 3.07Å |
| 207 | A | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W184 H203 F204 T209 L210 D211 F214 A217 | W184-A207 HydrophobicContact CB-CB 3.94Å; H203-A207 PolarHBondContact O-N 2.8Å; F204-A207 WeakPolarHBondContact O-CB 3.32Å; F204-A207 PolarHBondContact O-N 2.55Å; F204-A207 VanDerWaalsContact O-N 3.16Å; A207-T209 VanDerWaalsContact C-N 3.29Å; A207-T209 PolarHBondContact O-N 3Å; A207-L210 PolarHBondContact O-N 3.38Å; A207-D211 PolarHBondContact O-N 3.04Å; A207-F214 HydrophobicContact CB-CD1 4.36Å; A207-A217 HydrophobicContact CB-CB 4.11Å |
| 208 | V | 95.6 | Very high | 95 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.1 | -22.7 | 179.7 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | F204 E205 D211 P212 A217 Y218 L221 | F204-V208 PolarHBondContact O-N 3.01Å; E205-V208 VanDerWaalsContact O-CG2 3.29Å; E205-V208 WeakPolarHBondContact O-CG2 3.35Å; V208-D211 CarbonylContact O-C 3.14Å; V208-D211 VanDerWaalsContact O-C 3.32Å; V208-P212 WeakPolarHBondContact O-CA 3.4Å; V208-A217 HydrophobicContact CG1-CB 3.61Å; V208-Y218 HydrophobicContact CB-CD1 4.3Å; V208-Y218 HydrophobicContact CB-CD2 4.43Å; V208-Y218 HydrophobicContact CB-CE1 3.74Å; V208-Y218 HydrophobicContact CB-CE2 3.91Å; V208-Y218 HydrophobicContact CG1-CD1 3.77Å; V208-Y218 HydrophobicContact CG1-CD2 3.82Å; V208-Y218 HydrophobicContact CG1-CE1 3.74Å; V208-Y218 HydrophobicContact CG1-CE2 3.82Å; V208-Y218 HydrophobicContact CG1-CG 3.8Å; V208-Y218 HydrophobicContact CG2-CE1 3.94Å; V208-L221 HydrophobicContact CG2-CD2 4.4Å |
| 209 | T | 95.5 | Very high | 95.2 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -71.8 | -38.2 | 171.8 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | E205 K206 A207 | E205-T209 WeakPolarHBondContact O-CB 3.19Å; E205-T209 PolarHBondContact O-N 2.76Å; E205-T209 PolarHBondContact O-OG1 3.02Å; K206-T209 PolarHBondContact O-N 3.4Å; A207-T209 VanDerWaalsContact C-N 3.29Å; A207-T209 PolarHBondContact O-N 3Å |
| 210 | L | 94.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76.1 | -37.9 | 178.9 | -70.5 | 172.5 | 0 | 0 | 0 | 112.2 | N179 A181 W184 K206 A207 | N179-L210 HydrophobicContact CB-CD2 4.19Å; A181-L210 HydrophobicContact CB-CB 3.85Å; W184-L210 HydrophobicContact CG-CD1 4.19Å; K206-L210 HydrophobicContact CG-CD1 4.27Å; K206-L210 WeakPolarHBondContact O-CG 3.42Å; K206-L210 PolarHBondContact O-N 3.47Å; K206-L210 VanDerWaalsContact O-N 3.07Å; A207-L210 PolarHBondContact O-N 3.38Å |
| 211 | D | 94.2 | Very high | 95.3 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | trans | -129.5 | 95.7 | 173.1 | -178.9 | 5 | 0 | 0 | 0 | 110.9 | A181 A207 V208 N213 F214 | A181-D211 HydrophobicContact CB-CB 3.67Å; A207-D211 PolarHBondContact O-N 3.04Å; V208-D211 CarbonylContact O-C 3.14Å; V208-D211 VanDerWaalsContact O-C 3.32Å; D211-N213 PolarHBondContact O-N 2.81Å; D211-N213 VanDerWaalsContact O-N 3.07Å; D211-N213 PolarHBondContact OD1-N 2.99Å; D211-F214 HydrophobicContact CB-CB 3.99Å; D211-F214 VanDerWaalsContact O-CB 3.3Å; D211-F214 WeakPolarHBondContact O-CB 3.44Å; D211-F214 PolarHBondContact O-N 3.4Å; D211-F214 VanDerWaalsContact O-N 3.09Å | ||
| 212 | P | 93.9 | Very high | 95.3 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6.2 | 178.7 | -24.5 | 35.5 | 0 | 0 | 0 | 115.8 | V208 R240 | V208-P212 WeakPolarHBondContact O-CA 3.4Å; P212-R240 PolarHBondContact O-NH2 2.99Å; P212-R240 VanDerWaalsContact O-NH2 3.13Å |
| 213 | N | 94.4 | Very high | 95.3 | Very high | 111 Ų | 111 | 41.8 Ų | 41.8 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 9.8 | 176.7 | -63.4 | -34.5 | 0 | 0 | 0 | 112.4 | D211 L215 L244 | D211-N213 PolarHBondContact O-N 2.81Å; D211-N213 VanDerWaalsContact O-N 3.07Å; D211-N213 PolarHBondContact OD1-N 2.99Å; N213-L215 PolarHBondContact O-N 2.81Å; N213-L244 HydrophobicContact CB-CD2 4.19Å |
| 214 | F | 94.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 41 Ų | 41 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | trans | -79.1 | 87.1 | -177.2 | -161.9 | 176.5 | 0 | 0 | 0 | 112.3 | A181 V182 A207 D211 D216 A217 Y218 | A181-F214 HydrophobicContact CB-CD1 4.12Å; A181-F214 HydrophobicContact CB-CE1 4.42Å; V182-F214 HydrophobicContact CG2-CE1 4.31Å; V182-F214 HydrophobicContact CG2-CZ 4.19Å; A207-F214 HydrophobicContact CB-CD1 4.36Å; D211-F214 HydrophobicContact CB-CB 3.99Å; D211-F214 VanDerWaalsContact O-CB 3.3Å; D211-F214 WeakPolarHBondContact O-CB 3.44Å; D211-F214 PolarHBondContact O-N 3.4Å; D211-F214 VanDerWaalsContact O-N 3.09Å; F214-D216 HydrophobicContact CD2-CB 4.42Å; F214-D216 HydrophobicContact CE2-CB 4.05Å; F214-D216 PolarHBondContact O-N 3.06Å; F214-A217 HydrophobicContact CB-CB 4.08Å; F214-A217 HydrophobicContact CD1-CB 3.65Å; F214-A217 HydrophobicContact CD2-CB 4.26Å; F214-A217 HydrophobicContact CE1-CB 4.14Å; F214-A217 HydrophobicContact CG-CB 3.72Å; F214-A217 PolarHBondContact O-N 3.13Å; F214-Y218 WeakPolarHBondContact O-CD2 3.36Å; F214-Y218 PolarHBondContact O-N 3.33Å | ||
| 215 | L | 93.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 41 Ų | 41 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -50.7 | -54.3 | -177.1 | 176.7 | 62.7 | 0 | 0 | 0 | 113.4 | N213 A217 Y218 I219 A241 L244 | N213-L215 PolarHBondContact O-N 2.81Å; L215-A217 VanDerWaalsContact C-N 3.26Å; L215-A217 PolarHBondContact O-N 2.85Å; L215-Y218 PolarHBondContact O-N 3.17Å; L215-Y218 VanDerWaalsContact O-N 3.1Å; L215-I219 HydrophobicContact CD1-CD1 4.01Å; L215-I219 HydrophobicContact CD1-CG1 4.28Å; L215-I219 HydrophobicContact CG-CD1 3.99Å; L215-I219 WeakPolarHBondContact O-CG1 3.34Å; L215-I219 PolarHBondContact O-N 2.88Å; L215-I219 VanDerWaalsContact O-N 3.08Å; L215-A241 HydrophobicContact CD1-CB 3.84Å; L215-A241 VanDerWaalsContact CD1-O 3.26Å; L215-A241 WeakPolarHBondContact CD1-O 3.39Å; L215-L244 HydrophobicContact CB-CD1 4.4Å; L215-L244 HydrophobicContact CD1-CB 4.13Å |
| 216 | D | 92.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 51% | 0.508 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.1 | -34.2 | -175.3 | -64.9 | -29.3 | 0 | 0 | 0 | 112.6 | F214 I219 N220 | F214-D216 HydrophobicContact CD2-CB 4.42Å; F214-D216 HydrophobicContact CE2-CB 4.05Å; F214-D216 PolarHBondContact O-N 3.06Å; D216-I219 PolarHBondContact O-N 3.21Å; D216-N220 WeakPolarHBondContact O-CB 3.49Å; D216-N220 PolarHBondContact O-N 2.58Å; D216-N220 PolarHBondContact O-ND2 3.07Å; D216-N220 VanDerWaalsContact O-ND2 3.14Å |
| 217 | A | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A207 V208 F214 L215 L221 | A207-A217 HydrophobicContact CB-CB 4.11Å; V208-A217 HydrophobicContact CG1-CB 3.61Å; F214-A217 HydrophobicContact CB-CB 4.08Å; F214-A217 HydrophobicContact CD1-CB 3.65Å; F214-A217 HydrophobicContact CD2-CB 4.26Å; F214-A217 HydrophobicContact CE1-CB 4.14Å; F214-A217 HydrophobicContact CG-CB 3.72Å; F214-A217 PolarHBondContact O-N 3.13Å; L215-A217 VanDerWaalsContact C-N 3.26Å; L215-A217 PolarHBondContact O-N 2.85Å; A217-L221 WeakPolarHBondContact O-CB 3.37Å; A217-L221 PolarHBondContact O-N 3.36Å |
| 218 | Y | 97.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 12% | 0.122 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 174.1 | -79.1 | -67.2 | 0 | 0 | 0 | 112.8 | V208 F214 L215 L221 G222 A237 R240 L244 | V208-Y218 HydrophobicContact CB-CD1 4.3Å; V208-Y218 HydrophobicContact CB-CD2 4.43Å; V208-Y218 HydrophobicContact CB-CE1 3.74Å; V208-Y218 HydrophobicContact CB-CE2 3.91Å; V208-Y218 HydrophobicContact CG1-CD1 3.77Å; V208-Y218 HydrophobicContact CG1-CD2 3.82Å; V208-Y218 HydrophobicContact CG1-CE1 3.74Å; V208-Y218 HydrophobicContact CG1-CE2 3.82Å; V208-Y218 HydrophobicContact CG1-CG 3.8Å; V208-Y218 HydrophobicContact CG2-CE1 3.94Å; F214-Y218 WeakPolarHBondContact O-CD2 3.36Å; F214-Y218 PolarHBondContact O-N 3.33Å; L215-Y218 PolarHBondContact O-N 3.17Å; L215-Y218 VanDerWaalsContact O-N 3.1Å; Y218-L221 PolarHBondContact O-N 2.88Å; Y218-G222 PolarHBondContact O-N 3.45Å; Y218-A237 HydrophobicContact CD1-CB 4.47Å; Y218-R240 HydrophobicContact CD1-CB 3.92Å; Y218-R240 HydrophobicContact CD1-CG 3.86Å; Y218-R240 HydrophobicContact CD2-CG 3.92Å; Y218-R240 HydrophobicContact CE1-CB 3.9Å; Y218-R240 HydrophobicContact CE1-CG 3.46Å; Y218-R240 VanDerWaalsContact CE1-CG 3.46Å; Y218-R240 HydrophobicContact CE2-CG 3.51Å; Y218-R240 HydrophobicContact CG-CB 4.26Å; Y218-R240 HydrophobicContact CG-CG 4.07Å; Y218-L244 HydrophobicContact CD2-CD1 3.88Å; Y218-L244 HydrophobicContact CE2-CD1 4.16Å |
| 219 | I | 96.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 177.1 | -63.9 | 176.5 | 0 | 0 | 0 | 110.1 | L215 D216 L221 G222 N223 A241 V251 | L215-I219 HydrophobicContact CD1-CD1 4.01Å; L215-I219 HydrophobicContact CD1-CG1 4.28Å; L215-I219 HydrophobicContact CG-CD1 3.99Å; L215-I219 WeakPolarHBondContact O-CG1 3.34Å; L215-I219 PolarHBondContact O-N 2.88Å; L215-I219 VanDerWaalsContact O-N 3.08Å; D216-I219 PolarHBondContact O-N 3.21Å; I219-L221 PolarHBondContact O-N 3.26Å; I219-G222 PolarHBondContact O-N 3.1Å; I219-N223 VanDerWaalsContact O-CG 3.25Å; I219-N223 PolarHBondContact O-N 3.4Å; I219-N223 PolarHBondContact O-ND2 3.35Å; I219-A241 HydrophobicContact CG1-CB 3.85Å; I219-V251 HydrophobicContact CD1-CG2 3.62Å; I219-V251 HydrophobicContact CG1-CG2 3.65Å; I219-V251 HydrophobicContact CG2-CG2 4.3Å |
| 220 | N | 95.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 179.5 | -69.9 | -34.6 | 0 | 0 | 0 | 112.1 | F204 D216 G222 N223 V224 | F204-N220 HydrophobicContact CD1-CB 4.08Å; F204-N220 HydrophobicContact CD2-CB 4.42Å; F204-N220 HydrophobicContact CE1-CB 3.53Å; F204-N220 HydrophobicContact CE2-CB 3.92Å; F204-N220 HydrophobicContact CZ-CB 3.45Å; F204-N220 VanDerWaalsContact CZ-CB 3.45Å; D216-N220 WeakPolarHBondContact O-CB 3.49Å; D216-N220 PolarHBondContact O-N 2.58Å; D216-N220 PolarHBondContact O-ND2 3.07Å; D216-N220 VanDerWaalsContact O-ND2 3.14Å; N220-G222 PolarHBondContact O-N 3.42Å; N220-N223 PolarHBondContact O-N 2.98Å; N220-V224 WeakPolarHBondContact O-CG2 3.45Å; N220-V224 PolarHBondContact O-N 2.81Å |
| 221 | L | 97.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -48.3 | 172.8 | -179.2 | 56.3 | 0 | 0 | 0 | 111.2 | I201 F204 E205 V208 A217 Y218 I219 N223 V224 L225 A237 | I201-L221 HydrophobicContact CG2-CD1 4.07Å; F204-L221 HydrophobicContact CB-CB 3.89Å; F204-L221 HydrophobicContact CB-CD1 3.94Å; F204-L221 HydrophobicContact CB-CG 4.37Å; F204-L221 HydrophobicContact CG-CB 4.46Å; E205-L221 HydrophobicContact CG-CD1 4Å; E205-L221 HydrophobicContact CG-CD2 4.08Å; V208-L221 HydrophobicContact CG2-CD2 4.4Å; A217-L221 WeakPolarHBondContact O-CB 3.37Å; A217-L221 PolarHBondContact O-N 3.36Å; Y218-L221 PolarHBondContact O-N 2.88Å; I219-L221 PolarHBondContact O-N 3.26Å; L221-N223 VanDerWaalsContact C-N 3.33Å; L221-N223 PolarHBondContact O-N 3.11Å; L221-V224 PolarHBondContact O-N 3.14Å; L221-L225 HydrophobicContact CD1-CD1 3.68Å; L221-L225 HydrophobicContact CD1-CG 4Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.66Å; L221-L225 HydrophobicContact CG-CG 4.4Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 WeakPolarHBondContact O-CD1 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.14Å; L221-L225 PolarHBondContact O-N 3.39Å; L221-A237 HydrophobicContact CB-CB 4.32Å; L221-A237 HydrophobicContact CD2-CB 4.18Å; L221-A237 HydrophobicContact CG-CB 4.08Å |
| 222 | G | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y218 I219 N220 L225 K226 Y238 | Y218-G222 PolarHBondContact O-N 3.45Å; I219-G222 PolarHBondContact O-N 3.1Å; N220-G222 PolarHBondContact O-N 3.42Å; G222-L225 PolarHBondContact O-N 3.12Å; G222-K226 WeakPolarHBondContact O-CB 3.22Å; G222-K226 PolarHBondContact O-N 3.34Å; G222-Y238 PolarHBondContact O-OH 3.16Å; G222-Y238 VanDerWaalsContact O-OH 3.04Å |
| 223 | N | 95 | Very high | 94.4 | Very high | 33 Ų | 33 | 50 Ų | 50 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -49.6 | 178.8 | -68.9 | -19.3 | 0 | 0 | 0 | 111.6 | I219 N220 L221 L225 K226 E227 Y238 N254 | I219-N223 VanDerWaalsContact O-CG 3.25Å; I219-N223 PolarHBondContact O-N 3.4Å; I219-N223 PolarHBondContact O-ND2 3.35Å; N220-N223 PolarHBondContact O-N 2.98Å; L221-N223 VanDerWaalsContact C-N 3.33Å; L221-N223 PolarHBondContact O-N 3.11Å; N223-L225 PolarHBondContact O-N 3.34Å; N223-K226 WeakPolarHBondContact O-CB 3.47Å; N223-K226 PolarHBondContact O-N 2.86Å; N223-E227 WeakPolarHBondContact O-CG 3.19Å; N223-E227 PolarHBondContact O-N 3.45Å; N223-Y238 VanDerWaalsContact CA-OH 3.24Å; N223-Y238 WeakPolarHBondContact CA-OH 3.49Å; N223-Y238 PolarHBondContact N-OH 2.75Å; N223-Y238 VanDerWaalsContact N-OH 3.12Å; N223-Y238 PolarHBondContact OD1-OH 3.47Å; N223-N254 PolarHBondContact OD1-ND2 3.01Å |
| 224 | V | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.1 | -37.8 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | N192 I197 A200 I201 F204 N220 L221 K226 E227 A228 | N192-V224 HydrophobicContact CB-CG2 4.22Å; N192-V224 VanDerWaalsContact CG-CG2 3.5Å; N192-V224 WeakPolarHBondContact OD1-CG2 3.36Å; I197-V224 HydrophobicContact CB-CG1 4.43Å; I197-V224 HydrophobicContact CG2-CG1 3.75Å; A200-V224 HydrophobicContact CB-CG1 4.17Å; A200-V224 HydrophobicContact CB-CG2 4.46Å; I201-V224 HydrophobicContact CD1-CG1 4.19Å; I201-V224 HydrophobicContact CG1-CB 4.36Å; I201-V224 HydrophobicContact CG1-CG1 3.64Å; F204-V224 HydrophobicContact CD2-CG2 4.43Å; F204-V224 HydrophobicContact CE2-CG2 3.93Å; N220-V224 WeakPolarHBondContact O-CG2 3.45Å; N220-V224 PolarHBondContact O-N 2.81Å; L221-V224 PolarHBondContact O-N 3.14Å; V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.45Å; V224-E227 PolarHBondContact O-N 2.95Å; V224-A228 WeakPolarHBondContact O-CB 3.45Å; V224-A228 PolarHBondContact O-N 2.83Å |
| 225 | L | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 174.9 | -72.5 | 167.2 | 0 | 0 | 0 | 112.2 | I201 L221 G222 N223 A228 R229 I230 R233 A234 A237 | I201-L225 HydrophobicContact CD1-CD2 3.81Å; I201-L225 HydrophobicContact CG1-CD2 4.05Å; I201-L225 HydrophobicContact CG1-CG 4.38Å; I201-L225 HydrophobicContact CG2-CD2 4.1Å; L221-L225 HydrophobicContact CD1-CD1 3.68Å; L221-L225 HydrophobicContact CD1-CG 4Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.66Å; L221-L225 HydrophobicContact CG-CG 4.4Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 WeakPolarHBondContact O-CD1 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.14Å; L221-L225 PolarHBondContact O-N 3.39Å; G222-L225 PolarHBondContact O-N 3.12Å; N223-L225 PolarHBondContact O-N 3.34Å; L225-A228 PolarHBondContact O-N 2.82Å; L225-R229 PolarHBondContact O-N 3.4Å; L225-I230 HydrophobicContact CD2-CB 4.03Å; L225-I230 HydrophobicContact CD2-CD1 4.14Å; L225-I230 HydrophobicContact CD2-CG2 4.23Å; L225-I230 PolarHBondContact O-N 2.91Å; L225-R233 HydrophobicContact CD1-CB 3.74Å; L225-R233 HydrophobicContact CD2-CB 4.09Å; L225-R233 HydrophobicContact CG-CB 4.49Å; L225-A234 HydrophobicContact CB-CB 3.73Å; L225-A237 HydrophobicContact CD1-CB 4.44Å |
| 226 | K | 93.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 45 Ų | 45 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 172.5 | 178.2 | -174.2 | 72.6 | 170.2 | 0 | 110.7 | G222 N223 V224 A228 R229 N254 C257 V258 | G222-K226 WeakPolarHBondContact O-CB 3.22Å; G222-K226 PolarHBondContact O-N 3.34Å; N223-K226 WeakPolarHBondContact O-CB 3.47Å; N223-K226 PolarHBondContact O-N 2.86Å; V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.45Å; K226-A228 VanDerWaalsContact C-N 3.29Å; K226-A228 PolarHBondContact O-N 2.61Å; K226-R229 PolarHBondContact O-N 3Å; K226-N254 PolarHBondContact NZ-OD1 3.34Å; K226-C257 HydrophobicContact CD-CB 4.39Å; K226-V258 HydrophobicContact CB-CG2 4.01Å; K226-V258 HydrophobicContact CD-CG2 4Å; K226-V258 HydrophobicContact CG-CG2 3.78Å |
| 227 | E | 90.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 40.7 Ų | 40.7 | 52% | 0.519 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 177 | -72.3 | 173.2 | -166.4 | 0 | 0 | 112.2 | N223 V224 R229 | N223-E227 WeakPolarHBondContact O-CG 3.19Å; N223-E227 PolarHBondContact O-N 3.45Å; V224-E227 PolarHBondContact O-N 2.95Å; E227-R229 PolarHBondContact O-N 3.39Å |
| 228 | A | 92 | Very high | 95 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I197 I201 V224 L225 K226 I230 | I197-A228 HydrophobicContact CG2-CB 3.74Å; I201-A228 HydrophobicContact CD1-CB 4.31Å; V224-A228 WeakPolarHBondContact O-CB 3.45Å; V224-A228 PolarHBondContact O-N 2.83Å; L225-A228 PolarHBondContact O-N 2.82Å; K226-A228 VanDerWaalsContact C-N 3.29Å; K226-A228 PolarHBondContact O-N 2.61Å; A228-I230 VanDerWaalsContact C-N 3.27Å; A228-I230 HydrophobicContact CB-CD1 3.89Å; A228-I230 HydrophobicContact CB-CG1 3.9Å; A228-I230 PolarHBondContact O-N 3.18Å |
| 229 | R | 91.1 | Very high | 95 | Very high | 182 Ų | 182 | 43.3 Ų | 43.3 | 69% | 0.687 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 31.1 | -172.9 | -60.2 | -174.1 | 166.9 | -152.6 | -8.9 | 114.6 | L225 K226 E227 F231 | L225-R229 PolarHBondContact O-N 3.4Å; K226-R229 PolarHBondContact O-N 3Å; E227-R229 PolarHBondContact O-N 3.39Å; R229-F231 HydrophobicContact CB-CE1 4.26Å; R229-F231 HydrophobicContact CB-CE2 4.34Å; R229-F231 HydrophobicContact CB-CZ 3.92Å; R229-F231 HydrophobicContact CG-CE1 4.42Å; R229-F231 HydrophobicContact CG-CZ 4.02Å; R229-F231 PolarHBondContact O-N 3.3Å |
| 230 | I | 94.4 | Very high | 95 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | trans | -99 | 72.2 | 176.3 | -50 | 174.3 | 0 | 0 | 0 | 108.7 | W198 I201 L225 A228 D232 R233 A234 | W198-I230 HydrophobicContact CH2-CD1 3.47Å; W198-I230 VanDerWaalsContact CH2-CD1 3.47Å; W198-I230 HydrophobicContact CZ2-CD1 4.33Å; W198-I230 HydrophobicContact CZ3-CD1 3.72Å; I201-I230 HydrophobicContact CD1-CD1 4.31Å; L225-I230 HydrophobicContact CD2-CB 4.03Å; L225-I230 HydrophobicContact CD2-CD1 4.14Å; L225-I230 HydrophobicContact CD2-CG2 4.23Å; L225-I230 PolarHBondContact O-N 2.91Å; A228-I230 VanDerWaalsContact C-N 3.27Å; A228-I230 HydrophobicContact CB-CD1 3.89Å; A228-I230 HydrophobicContact CB-CG1 3.9Å; A228-I230 PolarHBondContact O-N 3.18Å; I230-D232 WeakPolarHBondContact CG2-OD1 3.39Å; I230-R233 HydrophobicContact CG2-CB 4.09Å; I230-R233 HydrophobicContact CG2-CG 4.24Å; I230-A234 PolarHBondContact O-N 3.16Å; I230-A234 VanDerWaalsContact O-N 3.1Å | ||
| 231 | F | 94.5 | Very high | 95 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -37.2 | -163.2 | -61 | -46.2 | 0 | 0 | 0 | 114.8 | R229 R233 A234 V235 V258 E261 Q262 | R229-F231 HydrophobicContact CB-CE1 4.26Å; R229-F231 HydrophobicContact CB-CE2 4.34Å; R229-F231 HydrophobicContact CB-CZ 3.92Å; R229-F231 HydrophobicContact CG-CE1 4.42Å; R229-F231 HydrophobicContact CG-CZ 4.02Å; R229-F231 PolarHBondContact O-N 3.3Å; F231-R233 PolarHBondContact O-N 3.33Å; F231-A234 PolarHBondContact O-N 3.36Å; F231-V235 VanDerWaalsContact O-CG2 3.32Å; F231-V235 WeakPolarHBondContact O-CG2 3.36Å; F231-V235 PolarHBondContact O-N 3.21Å; F231-V258 HydrophobicContact CB-CG1 3.64Å; F231-V258 HydrophobicContact CD1-CG1 3.75Å; F231-V258 HydrophobicContact CD1-CG2 4.47Å; F231-V258 HydrophobicContact CG-CG1 4.01Å; F231-E261 HydrophobicContact CE1-CB 3.89Å; F231-E261 HydrophobicContact CE1-CG 4.34Å; F231-E261 HydrophobicContact CE2-CB 3.99Å; F231-E261 HydrophobicContact CZ-CB 3.54Å; F231-E261 HydrophobicContact CZ-CG 4.16Å; F231-Q262 HydrophobicContact CB-CG 3.7Å; F231-Q262 HydrophobicContact CD2-CG 3.87Å; F231-Q262 HydrophobicContact CG-CG 3.98Å |
| 232 | D | 92.8 | Very high | 94.9 | Very high | 109 Ų | 109 | 45.3 Ų | 45.3 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -58.1 | -46.5 | 178.3 | 61.8 | -36.4 | 0 | 0 | 0 | 112.1 | I230 A236 | I230-D232 WeakPolarHBondContact CG2-OD1 3.39Å; D232-A236 PolarHBondContact O-N 3.4Å |
| 233 | R | 95.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 29% | 0.291 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.1 | -34.9 | 177.2 | -68.6 | 171.9 | 60.3 | -157.2 | 2.1 | 111.8 | E205 L225 I230 F231 V235 A236 A237 | E205-R233 IonicContact OE1-CZ 3.09Å; E205-R233 IonicContact OE1-NE 3.91Å; E205-R233 IonicContact OE1-NH2 3.72Å; E205-R233 PolarHBondContact OE1-NH2 2.88Å; E205-R233 IonicContact OE2-NH2 3.91Å; E205-R233 PolarHBondContact OE2-NH2 3.01Å; L225-R233 HydrophobicContact CD1-CB 3.74Å; L225-R233 HydrophobicContact CD2-CB 4.09Å; L225-R233 HydrophobicContact CG-CB 4.49Å; I230-R233 HydrophobicContact CG2-CB 4.09Å; I230-R233 HydrophobicContact CG2-CG 4.24Å; F231-R233 PolarHBondContact O-N 3.33Å; R233-V235 VanDerWaalsContact C-N 3.35Å; R233-A236 PolarHBondContact O-N 3.37Å; R233-A237 PolarHBondContact O-N 3.25Å |
| 234 | A | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | L225 I230 F231 A236 A237 Y238 V258 | L225-A234 HydrophobicContact CB-CB 3.73Å; I230-A234 PolarHBondContact O-N 3.16Å; I230-A234 VanDerWaalsContact O-N 3.1Å; F231-A234 PolarHBondContact O-N 3.36Å; A234-A236 PolarHBondContact O-N 3.02Å; A234-A237 PolarHBondContact O-N 2.66Å; A234-Y238 HydrophobicContact CB-CE2 4.29Å; A234-Y238 WeakPolarHBondContact O-CD2 3.47Å; A234-Y238 PolarHBondContact O-N 2.69Å; A234-V258 HydrophobicContact CB-CG1 4.49Å; A234-V258 HydrophobicContact CB-CG2 4.18Å |
| 235 | V | 96.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | F231 R233 A237 Y238 L239 L255 V258 Y259 | F231-V235 VanDerWaalsContact O-CG2 3.32Å; F231-V235 WeakPolarHBondContact O-CG2 3.36Å; F231-V235 PolarHBondContact O-N 3.21Å; R233-V235 VanDerWaalsContact C-N 3.35Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.47Å; V235-Y238 PolarHBondContact O-N 3.46Å; V235-L239 HydrophobicContact CG1-CD1 3.71Å; V235-L239 HydrophobicContact CG1-CG 4.14Å; V235-L239 WeakPolarHBondContact O-CB 3.49Å; V235-L239 VanDerWaalsContact O-CG 3.32Å; V235-L239 WeakPolarHBondContact O-CG 3.35Å; V235-L239 PolarHBondContact O-N 3.37Å; V235-L255 HydrophobicContact CB-CD1 4.23Å; V235-L255 HydrophobicContact CG1-CD1 4.13Å; V235-L255 HydrophobicContact CG2-CD1 3.93Å; V235-V258 HydrophobicContact CG2-CB 4.43Å; V235-V258 HydrophobicContact CG2-CG1 3.65Å; V235-Y259 HydrophobicContact CG1-CE1 3.97Å; V235-Y259 HydrophobicContact CG2-CD1 4.18Å; V235-Y259 HydrophobicContact CG2-CE1 3.72Å |
| 236 | A | 95.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 50% | 0.496 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D232 R233 A234 R240 | D232-A236 PolarHBondContact O-N 3.4Å; R233-A236 PolarHBondContact O-N 3.37Å; A234-A236 PolarHBondContact O-N 3.02Å; A236-R240 WeakPolarHBondContact O-CB 3.32Å; A236-R240 PolarHBondContact O-N 3.05Å |
| 237 | A | 96.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y218 L221 L225 R233 A234 V235 R240 A241 | Y218-A237 HydrophobicContact CD1-CB 4.47Å; L221-A237 HydrophobicContact CB-CB 4.32Å; L221-A237 HydrophobicContact CD2-CB 4.18Å; L221-A237 HydrophobicContact CG-CB 4.08Å; L225-A237 HydrophobicContact CD1-CB 4.44Å; R233-A237 PolarHBondContact O-N 3.25Å; A234-A237 PolarHBondContact O-N 2.66Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.47Å; A237-R240 PolarHBondContact O-N 3.42Å; A237-A241 PolarHBondContact O-N 3.35Å |
| 238 | Y | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 178.3 | -67.8 | -48.4 | 0 | 0 | 0 | 113.2 | G222 N223 A234 V235 R240 A241 L242 V251 N254 L255 V258 | G222-Y238 PolarHBondContact O-OH 3.16Å; G222-Y238 VanDerWaalsContact O-OH 3.04Å; N223-Y238 VanDerWaalsContact CA-OH 3.24Å; N223-Y238 WeakPolarHBondContact CA-OH 3.49Å; N223-Y238 PolarHBondContact N-OH 2.75Å; N223-Y238 VanDerWaalsContact N-OH 3.12Å; N223-Y238 PolarHBondContact OD1-OH 3.47Å; A234-Y238 HydrophobicContact CB-CE2 4.29Å; A234-Y238 WeakPolarHBondContact O-CD2 3.47Å; A234-Y238 PolarHBondContact O-N 2.69Å; V235-Y238 PolarHBondContact O-N 3.46Å; Y238-R240 PolarHBondContact O-N 3.12Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.82Å; Y238-L242 WeakPolarHBondContact O-CG 3.47Å; Y238-L242 PolarHBondContact O-N 2.77Å; Y238-V251 HydrophobicContact CD1-CG1 3.84Å; Y238-V251 HydrophobicContact CG-CG1 4.26Å; Y238-N254 HydrophobicContact CE1-CB 3.96Å; Y238-N254 HydrophobicContact CE2-CB 4.19Å; Y238-L255 HydrophobicContact CD2-CB 4.17Å; Y238-L255 HydrophobicContact CD2-CD1 4.15Å; Y238-L255 HydrophobicContact CG-CB 4.37Å; Y238-V258 HydrophobicContact CE2-CG2 3.91Å |
| 239 | L | 96.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 54 Ų | 54 | 45% | 0.45 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 175.6 | -72.4 | 177.1 | 0 | 0 | 0 | 111.2 | V235 L242 S243 L255 | V235-L239 HydrophobicContact CG1-CD1 3.71Å; V235-L239 HydrophobicContact CG1-CG 4.14Å; V235-L239 WeakPolarHBondContact O-CB 3.49Å; V235-L239 VanDerWaalsContact O-CG 3.32Å; V235-L239 WeakPolarHBondContact O-CG 3.35Å; V235-L239 PolarHBondContact O-N 3.37Å; L239-L242 PolarHBondContact O-N 2.76Å; L239-S243 PolarHBondContact O-N 3.36Å; L239-L255 HydrophobicContact CD2-CD2 3.93Å |
| 240 | R | 96.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 48.2 Ų | 48.2 | 36% | 0.362 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 174.1 | -171.3 | 59.2 | -177.4 | 171.1 | 5.8 | 111.7 | P212 Y218 A236 A237 Y238 L242 S243 L244 | P212-R240 PolarHBondContact O-NH2 2.99Å; P212-R240 VanDerWaalsContact O-NH2 3.13Å; Y218-R240 HydrophobicContact CD1-CB 3.92Å; Y218-R240 HydrophobicContact CD1-CG 3.86Å; Y218-R240 HydrophobicContact CD2-CG 3.92Å; Y218-R240 HydrophobicContact CE1-CB 3.9Å; Y218-R240 HydrophobicContact CE1-CG 3.46Å; Y218-R240 VanDerWaalsContact CE1-CG 3.46Å; Y218-R240 HydrophobicContact CE2-CG 3.51Å; Y218-R240 HydrophobicContact CG-CB 4.26Å; Y218-R240 HydrophobicContact CG-CG 4.07Å; A236-R240 WeakPolarHBondContact O-CB 3.32Å; A236-R240 PolarHBondContact O-N 3.05Å; A237-R240 PolarHBondContact O-N 3.42Å; Y238-R240 PolarHBondContact O-N 3.12Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.31Å; R240-S243 WeakPolarHBondContact O-CB 3.32Å; R240-S243 PolarHBondContact O-N 2.99Å; R240-S243 VanDerWaalsContact O-N 3.15Å; R240-S243 PolarHBondContact O-OG 3.03Å; R240-L244 PolarHBondContact O-N 2.89Å |
| 241 | A | 95.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L215 I219 A237 Y238 S243 L244 S245 V251 | L215-A241 HydrophobicContact CD1-CB 3.84Å; L215-A241 VanDerWaalsContact CD1-O 3.26Å; L215-A241 WeakPolarHBondContact CD1-O 3.39Å; I219-A241 HydrophobicContact CG1-CB 3.85Å; A237-A241 PolarHBondContact O-N 3.35Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.82Å; A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.43Å; A241-L244 WeakPolarHBondContact O-CB 3.49Å; A241-L244 PolarHBondContact O-N 3.05Å; A241-L244 VanDerWaalsContact O-N 3.14Å; A241-S245 PolarHBondContact O-N 3.38Å; A241-V251 HydrophobicContact CB-CG1 4.26Å |
| 242 | L | 94.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.7 | -28.3 | 176.9 | -69.3 | 174.5 | 0 | 0 | 0 | 113 | Y238 L239 R240 L244 S245 P246 H248 V251 H252 L255 | Y238-L242 WeakPolarHBondContact O-CG 3.47Å; Y238-L242 PolarHBondContact O-N 2.77Å; L239-L242 PolarHBondContact O-N 2.76Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.31Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.91Å; L242-S245 CarbonylContact O-C 3.32Å; L242-S245 VanDerWaalsContact O-C 3.24Å; L242-P246 WeakPolarHBondContact O-CA 3.34Å; L242-P246 WeakPolarHBondContact O-CD 3.34Å; L242-P246 WeakPolarHBondContact O-CG 3.38Å; L242-H248 HydrophobicContact CD2-CB 4.39Å; L242-V251 HydrophobicContact CD1-CG1 4.26Å; L242-V251 HydrophobicContact CD2-CB 3.98Å; L242-V251 HydrophobicContact CD2-CG1 3.77Å; L242-V251 HydrophobicContact CG-CB 4.45Å; L242-V251 HydrophobicContact CG-CG1 3.69Å; L242-H252 WeakPolarHBondContact CD2-NE2 3.38Å; L242-L255 HydrophobicContact CD1-CD2 3.85Å |
| 243 | S | 95.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67 | -29.6 | 171.8 | 77.8 | 0 | 0 | 0 | 0 | 112.5 | L239 R240 A241 | L239-S243 PolarHBondContact O-N 3.36Å; R240-S243 WeakPolarHBondContact O-CB 3.32Å; R240-S243 PolarHBondContact O-N 2.99Å; R240-S243 VanDerWaalsContact O-N 3.15Å; R240-S243 PolarHBondContact O-OG 3.03Å; A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.43Å |
| 244 | L | 94.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 29% | 0.288 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -84.1 | -38 | 176.6 | -62.7 | 171.4 | 0 | 0 | 0 | 111.7 | N213 L215 Y218 R240 A241 L242 | N213-L244 HydrophobicContact CB-CD2 4.19Å; L215-L244 HydrophobicContact CB-CD1 4.4Å; L215-L244 HydrophobicContact CD1-CB 4.13Å; Y218-L244 HydrophobicContact CD2-CD1 3.88Å; Y218-L244 HydrophobicContact CE2-CD1 4.16Å; R240-L244 PolarHBondContact O-N 2.89Å; A241-L244 WeakPolarHBondContact O-CB 3.49Å; A241-L244 PolarHBondContact O-N 3.05Å; A241-L244 VanDerWaalsContact O-N 3.14Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.91Å |
| 245 | S | 93.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 39 Ų | 39 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | trans | -136.3 | 89.1 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | A241 L242 N247 | A241-S245 PolarHBondContact O-N 3.38Å; L242-S245 CarbonylContact O-C 3.32Å; L242-S245 VanDerWaalsContact O-C 3.24Å; S245-N247 PolarHBondContact O-N 3.31Å; S245-N247 VanDerWaalsContact O-N 3.17Å | ||
| 246 | P | 91.8 | Very high | 94.9 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 53% | 0.526 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.7 | -173.7 | -27.6 | 35.4 | 0 | 0 | 0 | 115.4 | L242 H252 | L242-P246 WeakPolarHBondContact O-CA 3.34Å; L242-P246 WeakPolarHBondContact O-CD 3.34Å; L242-P246 WeakPolarHBondContact O-CG 3.38Å; P246-H252 PolarHBondContact O-NE2 3.17Å; P246-H252 VanDerWaalsContact O-NE2 3.08Å |
| 247 | N | 92.2 | Very high | 94.9 | Very high | 109 Ų | 109 | 36.4 Ų | 36.4 | 58% | 0.583 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 42.3 | -172.1 | -68 | -23.9 | 0 | 0 | 0 | 112.6 | S245 R274 L278 | S245-N247 PolarHBondContact O-N 3.31Å; S245-N247 VanDerWaalsContact O-N 3.17Å; N247-R274 PolarHBondContact OD1-NH2 3.33Å; N247-L278 HydrophobicContact CB-CD2 3.77Å |
| 248 | H | 92.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 36.2 Ų | 36.2 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | trans | -102.2 | 97 | -179.4 | -160 | -44.6 | 0 | 0 | 0 | 112.4 | L242 V250 V251 H252 | L242-H248 HydrophobicContact CD2-CB 4.39Å; H248-V250 PolarHBondContact O-N 3.02Å; H248-V251 HydrophobicContact CB-CB 4.17Å; H248-V251 HydrophobicContact CB-CG2 4.06Å; H248-V251 PolarHBondContact O-N 3.01Å; H248-V251 VanDerWaalsContact O-N 3.16Å; H248-H252 PolarHBondContact O-CD2 3.34Å; H248-H252 PolarHBondContact O-N 2.9Å | ||
| 249 | A | 93.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V251 H252 G253 A275 L278 Q279 | A249-V251 VanDerWaalsContact C-N 3.3Å; A249-V251 PolarHBondContact O-N 3.04Å; A249-H252 PolarHBondContact O-N 2.97Å; A249-G253 PolarHBondContact O-N 2.85Å; A249-A275 WeakPolarHBondContact O-CB 3.35Å; A249-L278 HydrophobicContact CB-CB 3.81Å; A249-Q279 HydrophobicContact CB-CB 3.54Å |
| 250 | V | 93.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61 | -37.1 | -180 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | H248 G253 N254 | H248-V250 PolarHBondContact O-N 3.02Å; V250-G253 PolarHBondContact O-N 3.22Å; V250-N254 WeakPolarHBondContact O-CB 3.28Å; V250-N254 PolarHBondContact O-N 3.29Å |
| 251 | V | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.1 | -42 | 178.4 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | I219 Y238 A241 L242 H248 A249 G253 N254 L255 | I219-V251 HydrophobicContact CD1-CG2 3.62Å; I219-V251 HydrophobicContact CG1-CG2 3.65Å; I219-V251 HydrophobicContact CG2-CG2 4.3Å; Y238-V251 HydrophobicContact CD1-CG1 3.84Å; Y238-V251 HydrophobicContact CG-CG1 4.26Å; A241-V251 HydrophobicContact CB-CG1 4.26Å; L242-V251 HydrophobicContact CD1-CG1 4.26Å; L242-V251 HydrophobicContact CD2-CB 3.98Å; L242-V251 HydrophobicContact CD2-CG1 3.77Å; L242-V251 HydrophobicContact CG-CB 4.45Å; L242-V251 HydrophobicContact CG-CG1 3.69Å; H248-V251 HydrophobicContact CB-CB 4.17Å; H248-V251 HydrophobicContact CB-CG2 4.06Å; H248-V251 PolarHBondContact O-N 3.01Å; H248-V251 VanDerWaalsContact O-N 3.16Å; A249-V251 VanDerWaalsContact C-N 3.3Å; A249-V251 PolarHBondContact O-N 3.04Å; V251-G253 VanDerWaalsContact C-N 3.33Å; V251-G253 PolarHBondContact O-N 3.04Å; V251-N254 PolarHBondContact O-N 3.4Å; V251-L255 VanDerWaalsContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CB 3.3Å; V251-L255 PolarHBondContact O-N 2.75Å |
| 252 | H | 96.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 11% | 0.111 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 170.7 | -77.9 | -75.1 | 0 | 0 | 0 | 111.1 | L242 P246 H248 A249 N254 L255 A256 T271 A275 L278 | L242-H252 WeakPolarHBondContact CD2-NE2 3.38Å; P246-H252 PolarHBondContact O-NE2 3.17Å; P246-H252 VanDerWaalsContact O-NE2 3.08Å; H248-H252 PolarHBondContact O-CD2 3.34Å; H248-H252 PolarHBondContact O-N 2.9Å; A249-H252 PolarHBondContact O-N 2.97Å; H252-N254 PolarHBondContact O-N 3.35Å; H252-L255 PolarHBondContact O-N 2.73Å; H252-A256 WeakPolarHBondContact O-CB 3.34Å; H252-A256 PolarHBondContact O-N 2.95Å; H252-T271 HydrophobicContact CB-CG2 4.22Å; H252-T271 VanDerWaalsContact O-CG2 3.25Å; H252-T271 WeakPolarHBondContact O-CG2 3.46Å; H252-A275 HydrophobicContact CB-CB 3.77Å; H252-L278 WeakPolarHBondContact CD2-CD1 3.35Å |
| 253 | G | 94.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | A249 V250 V251 A256 C257 | A249-G253 PolarHBondContact O-N 2.85Å; V250-G253 PolarHBondContact O-N 3.22Å; V251-G253 VanDerWaalsContact C-N 3.33Å; V251-G253 PolarHBondContact O-N 3.04Å; G253-A256 WeakPolarHBondContact O-CB 3.3Å; G253-A256 PolarHBondContact O-N 3.35Å; G253-C257 PolarHBondContact O-N 2.78Å; G253-C257 PolarHBondContact O-SG 3.37Å |
| 254 | N | 95 | Very high | 94.2 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.5 | -37.9 | 177.7 | -81.7 | -27.7 | 0 | 0 | 0 | 113.1 | N223 K226 Y238 V250 V251 H252 C257 V258 | N223-N254 PolarHBondContact OD1-ND2 3.01Å; K226-N254 PolarHBondContact NZ-OD1 3.34Å; Y238-N254 HydrophobicContact CE1-CB 3.96Å; Y238-N254 HydrophobicContact CE2-CB 4.19Å; V250-N254 WeakPolarHBondContact O-CB 3.28Å; V250-N254 PolarHBondContact O-N 3.29Å; V251-N254 PolarHBondContact O-N 3.4Å; H252-N254 PolarHBondContact O-N 3.35Å; N254-C257 WeakPolarHBondContact O-CB 3.27Å; N254-C257 PolarHBondContact O-N 2.77Å; N254-V258 PolarHBondContact O-N 2.9Å |
| 255 | L | 96.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 174.3 | 177.5 | 60.1 | 0 | 0 | 0 | 111.1 | V235 Y238 L239 L242 V251 H252 C257 V258 Y259 T271 | V235-L255 HydrophobicContact CB-CD1 4.23Å; V235-L255 HydrophobicContact CG1-CD1 4.13Å; V235-L255 HydrophobicContact CG2-CD1 3.93Å; Y238-L255 HydrophobicContact CD2-CB 4.17Å; Y238-L255 HydrophobicContact CD2-CD1 4.15Å; Y238-L255 HydrophobicContact CG-CB 4.37Å; L239-L255 HydrophobicContact CD2-CD2 3.93Å; L242-L255 HydrophobicContact CD1-CD2 3.85Å; V251-L255 VanDerWaalsContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CB 3.3Å; V251-L255 PolarHBondContact O-N 2.75Å; H252-L255 PolarHBondContact O-N 2.73Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.71Å; L255-V258 WeakPolarHBondContact O-CB 3.28Å; L255-V258 PolarHBondContact O-N 3.43Å; L255-V258 VanDerWaalsContact O-N 3.09Å; L255-Y259 HydrophobicContact CD1-CD2 4.35Å; L255-Y259 HydrophobicContact CD1-CE1 4.12Å; L255-Y259 HydrophobicContact CD1-CE2 3.77Å; L255-Y259 HydrophobicContact CD2-CE2 3.87Å; L255-Y259 HydrophobicContact CG-CD2 4.04Å; L255-Y259 HydrophobicContact CG-CE2 3.5Å; L255-Y259 PolarHBondContact O-N 3.28Å; L255-T271 HydrophobicContact CB-CG2 4.34Å; L255-T271 HydrophobicContact CD2-CG2 4.26Å; L255-T271 HydrophobicContact CG-CG2 4.28Å |
| 256 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H252 G253 V258 Y259 Y260 T271 Y272 | H252-A256 WeakPolarHBondContact O-CB 3.34Å; H252-A256 PolarHBondContact O-N 2.95Å; G253-A256 WeakPolarHBondContact O-CB 3.3Å; G253-A256 PolarHBondContact O-N 3.35Å; A256-V258 VanDerWaalsContact C-N 3.31Å; A256-V258 PolarHBondContact O-N 3.25Å; A256-Y259 PolarHBondContact O-N 2.79Å; A256-Y260 WeakPolarHBondContact O-CB 3.46Å; A256-Y260 PolarHBondContact O-N 2.9Å; A256-T271 HydrophobicContact CB-CG2 3.88Å; A256-Y272 HydrophobicContact CB-CD1 3.39Å; A256-Y272 HydrophobicContact CB-CD2 3.79Å; A256-Y272 HydrophobicContact CB-CE1 3.37Å; A256-Y272 HydrophobicContact CB-CE2 3.78Å; A256-Y272 HydrophobicContact CB-CG 3.58Å |
| 257 | C | 94.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.2 | -41.8 | 171.8 | -63 | 0 | 0 | 0 | 0 | 111.9 | K226 G253 N254 L255 Y260 E261 Y272 | K226-C257 HydrophobicContact CD-CB 4.39Å; G253-C257 PolarHBondContact O-N 2.78Å; G253-C257 PolarHBondContact O-SG 3.37Å; N254-C257 WeakPolarHBondContact O-CB 3.27Å; N254-C257 PolarHBondContact O-N 2.77Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.71Å; C257-Y260 WeakPolarHBondContact O-CB 3.26Å; C257-Y260 PolarHBondContact O-N 3.08Å; C257-E261 WeakPolarHBondContact O-CG 3.4Å; C257-E261 PolarHBondContact O-N 2.74Å; C257-Y272 WeakPolarHBondContact CA-OH 3.44Å; C257-Y272 PolarHBondContact N-OH 3.36Å; C257-Y272 PolarHBondContact SG-OH 3.3Å |
| 258 | V | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | K226 F231 A234 V235 Y238 N254 L255 A256 Y260 E261 Q262 | K226-V258 HydrophobicContact CB-CG2 4.01Å; K226-V258 HydrophobicContact CD-CG2 4Å; K226-V258 HydrophobicContact CG-CG2 3.78Å; F231-V258 HydrophobicContact CB-CG1 3.64Å; F231-V258 HydrophobicContact CD1-CG1 3.75Å; F231-V258 HydrophobicContact CD1-CG2 4.47Å; F231-V258 HydrophobicContact CG-CG1 4.01Å; A234-V258 HydrophobicContact CB-CG1 4.49Å; A234-V258 HydrophobicContact CB-CG2 4.18Å; V235-V258 HydrophobicContact CG2-CB 4.43Å; V235-V258 HydrophobicContact CG2-CG1 3.65Å; Y238-V258 HydrophobicContact CE2-CG2 3.91Å; N254-V258 PolarHBondContact O-N 2.9Å; L255-V258 WeakPolarHBondContact O-CB 3.28Å; L255-V258 PolarHBondContact O-N 3.43Å; L255-V258 VanDerWaalsContact O-N 3.09Å; A256-V258 VanDerWaalsContact C-N 3.31Å; A256-V258 PolarHBondContact O-N 3.25Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 3.09Å; V258-E261 PolarHBondContact O-N 3.35Å; V258-Q262 WeakPolarHBondContact O-CG 3.42Å; V258-Q262 PolarHBondContact O-N 2.98Å |
| 259 | Y | 96.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 9% | 0.09 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 175.2 | -68.8 | -35.9 | 0 | 0 | 0 | 112.6 | V235 L255 A256 Q262 G263 L264 L267 | V235-Y259 HydrophobicContact CG1-CE1 3.97Å; V235-Y259 HydrophobicContact CG2-CD1 4.18Å; V235-Y259 HydrophobicContact CG2-CE1 3.72Å; L255-Y259 HydrophobicContact CD1-CD2 4.35Å; L255-Y259 HydrophobicContact CD1-CE1 4.12Å; L255-Y259 HydrophobicContact CD1-CE2 3.77Å; L255-Y259 HydrophobicContact CD2-CE2 3.87Å; L255-Y259 HydrophobicContact CG-CD2 4.04Å; L255-Y259 HydrophobicContact CG-CE2 3.5Å; L255-Y259 PolarHBondContact O-N 3.28Å; A256-Y259 PolarHBondContact O-N 2.79Å; Y259-Q262 PolarHBondContact O-N 3.32Å; Y259-G263 PolarHBondContact O-N 3.07Å; Y259-L264 HydrophobicContact CD1-CD1 4Å; Y259-L264 WeakPolarHBondContact O-CB 3.45Å; Y259-L264 PolarHBondContact O-N 3.43Å; Y259-L267 HydrophobicContact CD1-CD2 3.71Å; Y259-L267 HydrophobicContact CD1-CG 4.4Å; Y259-L267 HydrophobicContact CD2-CB 4.33Å; Y259-L267 HydrophobicContact CD2-CD2 3.73Å; Y259-L267 HydrophobicContact CD2-CG 3.56Å; Y259-L267 HydrophobicContact CE1-CD2 3.53Å; Y259-L267 HydrophobicContact CE1-CG 4.44Å; Y259-L267 HydrophobicContact CE2-CD1 4.35Å; Y259-L267 HydrophobicContact CE2-CD2 3.54Å; Y259-L267 HydrophobicContact CE2-CG 3.59Å; Y259-L267 HydrophobicContact CG-CB 4.45Å; Y259-L267 HydrophobicContact CG-CD2 3.81Å; Y259-L267 HydrophobicContact CG-CG 3.98Å; Y259-L267 VanDerWaalsContact CZ-CD2 3.44Å |
| 260 | Y | 94.7 | Very high | 94.9 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -49.3 | 174.6 | -180 | -102.2 | 0 | 0 | 0 | 111.6 | A256 C257 V258 Q262 G263 I265 A292 E295 | A256-Y260 WeakPolarHBondContact O-CB 3.46Å; A256-Y260 PolarHBondContact O-N 2.9Å; C257-Y260 WeakPolarHBondContact O-CB 3.26Å; C257-Y260 PolarHBondContact O-N 3.08Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 3.09Å; Y260-Q262 PolarHBondContact O-N 2.97Å; Y260-G263 PolarHBondContact O-N 3.12Å; Y260-I265 HydrophobicContact CD2-CD1 3.93Å; Y260-I265 HydrophobicContact CE2-CD1 4.03Å; Y260-A292 HydrophobicContact CD2-CB 3.89Å; Y260-A292 HydrophobicContact CE2-CB 4.15Å; Y260-E295 WeakPolarHBondContact CE2-OE2 3.3Å; Y260-E295 PolarHBondContact OH-OE2 3.49Å |
| 261 | E | 92.3 | Very high | 95 | Very high | 106 Ų | 106 | 38 Ų | 38 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.5 | -25.8 | 177.6 | -69.3 | -78.6 | 174.5 | 0 | 0 | 113.4 | F231 C257 V258 G263 | F231-E261 HydrophobicContact CE1-CB 3.89Å; F231-E261 HydrophobicContact CE1-CG 4.34Å; F231-E261 HydrophobicContact CE2-CB 3.99Å; F231-E261 HydrophobicContact CZ-CB 3.54Å; F231-E261 HydrophobicContact CZ-CG 4.16Å; C257-E261 WeakPolarHBondContact O-CG 3.4Å; C257-E261 PolarHBondContact O-N 2.74Å; V258-E261 PolarHBondContact O-N 3.35Å; E261-G263 VanDerWaalsContact C-N 3.3Å |
| 262 | Q | 92.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 38.1 Ų | 38.1 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5 | 172.2 | -72 | -176.6 | -38.1 | 0 | 0 | 113.7 | F231 V258 Y259 Y260 L264 | F231-Q262 HydrophobicContact CB-CG 3.7Å; F231-Q262 HydrophobicContact CD2-CG 3.87Å; F231-Q262 HydrophobicContact CG-CG 3.98Å; V258-Q262 WeakPolarHBondContact O-CG 3.42Å; V258-Q262 PolarHBondContact O-N 2.98Å; Y259-Q262 PolarHBondContact O-N 3.32Å; Y260-Q262 PolarHBondContact O-N 2.97Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 HydrophobicContact CB-CD1 4.33Å; Q262-L264 HydrophobicContact CB-CG 4.24Å |
| 263 | G | 91.2 | Very high | 95.2 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 50% | 0.495 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 11.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y259 Y260 E261 I265 | Y259-G263 PolarHBondContact O-N 3.07Å; Y260-G263 PolarHBondContact O-N 3.12Å; E261-G263 VanDerWaalsContact C-N 3.3Å; G263-I265 PolarHBondContact O-N 2.96Å |
| 264 | L | 94.5 | Very high | 95.2 | Very high | 83 Ų | 83 | 46.2 Ų | 46.2 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | trans | -84.5 | 65.2 | 177.3 | -60.9 | 174.4 | 0 | 0 | 0 | 110.3 | Y259 Q262 D266 L267 A268 | Y259-L264 HydrophobicContact CD1-CD1 4Å; Y259-L264 WeakPolarHBondContact O-CB 3.45Å; Y259-L264 PolarHBondContact O-N 3.43Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 HydrophobicContact CB-CD1 4.33Å; Q262-L264 HydrophobicContact CB-CG 4.24Å; L264-D266 PolarHBondContact O-N 3.47Å; L264-L267 HydrophobicContact CB-CB 4.26Å; L264-L267 HydrophobicContact CD1-CD2 4.36Å; L264-L267 PolarHBondContact O-N 3.28Å; L264-A268 PolarHBondContact O-N 2.91Å | ||
| 265 | I | 94.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | -166.7 | -53.8 | -55.6 | 0 | 0 | 0 | 113.3 | Y260 G263 L267 A268 I269 A292 E295 K296 | Y260-I265 HydrophobicContact CD2-CD1 3.93Å; Y260-I265 HydrophobicContact CE2-CD1 4.03Å; G263-I265 PolarHBondContact O-N 2.96Å; I265-L267 PolarHBondContact O-N 3.24Å; I265-A268 WeakPolarHBondContact O-CB 3.38Å; I265-A268 PolarHBondContact O-N 3.36Å; I265-I269 HydrophobicContact CG2-CD1 3.93Å; I265-I269 WeakPolarHBondContact O-CG1 3.23Å; I265-I269 PolarHBondContact O-N 2.83Å; I265-A292 HydrophobicContact CG2-CB 4.46Å; I265-A292 WeakPolarHBondContact CG2-O 3.49Å; I265-E295 HydrophobicContact CD1-CG 4.32Å; I265-K296 HydrophobicContact CG2-CB 4.12Å |
| 266 | D | 94.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 45.6 Ų | 45.6 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.3 | -42.7 | -180 | -71.3 | -43.5 | 0 | 0 | 0 | 112 | L264 A268 I269 D270 K296 | L264-D266 PolarHBondContact O-N 3.47Å; D266-A268 VanDerWaalsContact C-N 3.34Å; D266-A268 PolarHBondContact O-N 2.82Å; D266-I269 PolarHBondContact O-N 2.85Å; D266-D270 PolarHBondContact O-N 3.12Å; D266-K296 WeakPolarHBondContact OD1-CE 3.36Å; D266-K296 IonicContact OD1-NZ 2.69Å; D266-K296 PolarHBondContact OD1-NZ 3.09Å |
| 267 | L | 95 | Very high | 95.2 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 40% | 0.398 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 178.8 | -170.2 | 62.7 | 0 | 0 | 0 | 111.4 | Y259 L264 I265 T271 | Y259-L267 HydrophobicContact CD1-CD2 3.71Å; Y259-L267 HydrophobicContact CD1-CG 4.4Å; Y259-L267 HydrophobicContact CD2-CB 4.33Å; Y259-L267 HydrophobicContact CD2-CD2 3.73Å; Y259-L267 HydrophobicContact CD2-CG 3.56Å; Y259-L267 HydrophobicContact CE1-CD2 3.53Å; Y259-L267 HydrophobicContact CE1-CG 4.44Å; Y259-L267 HydrophobicContact CE2-CD1 4.35Å; Y259-L267 HydrophobicContact CE2-CD2 3.54Å; Y259-L267 HydrophobicContact CE2-CG 3.59Å; Y259-L267 HydrophobicContact CG-CB 4.45Å; Y259-L267 HydrophobicContact CG-CD2 3.81Å; Y259-L267 HydrophobicContact CG-CG 3.98Å; Y259-L267 VanDerWaalsContact CZ-CD2 3.44Å; L264-L267 HydrophobicContact CB-CB 4.26Å; L264-L267 HydrophobicContact CD1-CD2 4.36Å; L264-L267 PolarHBondContact O-N 3.28Å; I265-L267 PolarHBondContact O-N 3.24Å; L267-T271 VanDerWaalsContact O-CB 3.3Å; L267-T271 WeakPolarHBondContact O-CB 3.08Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 2.98Å |
| 268 | A | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L264 I265 D266 D270 T271 Y272 | L264-A268 PolarHBondContact O-N 2.91Å; I265-A268 WeakPolarHBondContact O-CB 3.38Å; I265-A268 PolarHBondContact O-N 3.36Å; D266-A268 VanDerWaalsContact C-N 3.34Å; D266-A268 PolarHBondContact O-N 2.82Å; A268-D270 PolarHBondContact O-N 2.72Å; A268-T271 PolarHBondContact O-N 3.34Å; A268-Y272 HydrophobicContact CB-CD2 4.45Å; A268-Y272 HydrophobicContact CB-CE2 4.17Å; A268-Y272 WeakPolarHBondContact O-CD2 3.31Å; A268-Y272 PolarHBondContact O-N 3.11Å |
| 269 | I | 97.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 178.5 | -72.5 | 165.9 | 0 | 0 | 0 | 111.3 | I265 D266 T271 Y272 R273 L289 A292 L293 K296 | I265-I269 HydrophobicContact CG2-CD1 3.93Å; I265-I269 WeakPolarHBondContact O-CG1 3.23Å; I265-I269 PolarHBondContact O-N 2.83Å; D266-I269 PolarHBondContact O-N 2.85Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.28Å; I269-Y272 PolarHBondContact O-N 2.75Å; I269-R273 WeakPolarHBondContact O-CG 3.3Å; I269-R273 PolarHBondContact O-N 3.32Å; I269-L289 HydrophobicContact CB-CD1 4.2Å; I269-L289 HydrophobicContact CG1-CD1 4.15Å; I269-L289 HydrophobicContact CG2-CD1 3.9Å; I269-A292 HydrophobicContact CD1-CB 4.46Å; I269-A292 HydrophobicContact CG1-CB 3.79Å; I269-L293 HydrophobicContact CD1-CD2 4.03Å; I269-L293 HydrophobicContact CG1-CD2 4.42Å; I269-L293 HydrophobicContact CG2-CD2 4.43Å; I269-K296 HydrophobicContact CD1-CB 4.25Å; I269-K296 HydrophobicContact CD1-CD 3.55Å |
| 270 | D | 96.5 | Very high | 95 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | -179.3 | -72.1 | -18.5 | 0 | 0 | 0 | 111.5 | D266 A268 R273 R274 | D266-D270 PolarHBondContact O-N 3.12Å; A268-D270 PolarHBondContact O-N 2.72Å; D270-R273 PolarHBondContact O-N 2.96Å; D270-R274 PolarHBondContact O-N 2.88Å |
| 271 | T | 96.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 179.3 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | H252 L255 A256 L267 A268 I269 R274 A275 | H252-T271 HydrophobicContact CB-CG2 4.22Å; H252-T271 VanDerWaalsContact O-CG2 3.25Å; H252-T271 WeakPolarHBondContact O-CG2 3.46Å; L255-T271 HydrophobicContact CB-CG2 4.34Å; L255-T271 HydrophobicContact CD2-CG2 4.26Å; L255-T271 HydrophobicContact CG-CG2 4.28Å; A256-T271 HydrophobicContact CB-CG2 3.88Å; L267-T271 VanDerWaalsContact O-CB 3.3Å; L267-T271 WeakPolarHBondContact O-CB 3.08Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 2.98Å; A268-T271 PolarHBondContact O-N 3.34Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.28Å; T271-R274 WeakPolarHBondContact O-CB 3.37Å; T271-R274 PolarHBondContact O-N 3.36Å; T271-A275 PolarHBondContact O-N 2.69Å |
| 272 | Y | 97.3 | Very high | 95 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 172.1 | -76.3 | -55.7 | 0 | 0 | 0 | 112 | A256 C257 A268 I269 R274 A275 I276 N288 L289 A292 | A256-Y272 HydrophobicContact CB-CD1 3.39Å; A256-Y272 HydrophobicContact CB-CD2 3.79Å; A256-Y272 HydrophobicContact CB-CE1 3.37Å; A256-Y272 HydrophobicContact CB-CE2 3.78Å; A256-Y272 HydrophobicContact CB-CG 3.58Å; C257-Y272 WeakPolarHBondContact CA-OH 3.44Å; C257-Y272 PolarHBondContact N-OH 3.36Å; C257-Y272 PolarHBondContact SG-OH 3.3Å; A268-Y272 HydrophobicContact CB-CD2 4.45Å; A268-Y272 HydrophobicContact CB-CE2 4.17Å; A268-Y272 WeakPolarHBondContact O-CD2 3.31Å; A268-Y272 PolarHBondContact O-N 3.11Å; I269-Y272 PolarHBondContact O-N 2.75Å; Y272-R274 PolarHBondContact O-N 3.21Å; Y272-A275 WeakPolarHBondContact O-CB 3.37Å; Y272-A275 PolarHBondContact O-N 2.95Å; Y272-A275 VanDerWaalsContact O-N 3.1Å; Y272-I276 WeakPolarHBondContact O-CG1 3.37Å; Y272-I276 PolarHBondContact O-N 3.04Å; Y272-N288 HydrophobicContact CD1-CB 4.3Å; Y272-N288 HydrophobicContact CE1-CB 3.54Å; Y272-N288 HydrophobicContact CE2-CB 4.11Å; Y272-N288 VanDerWaalsContact CZ-CB 3.44Å; Y272-N288 WeakPolarHBondContact OH-CB 3.21Å; Y272-L289 HydrophobicContact CD2-CB 4.35Å; Y272-L289 HydrophobicContact CG-CB 4.23Å; Y272-A292 HydrophobicContact CE2-CB 4.46Å |
| 273 | R | 96.7 | Very high | 95 | Very high | 103 Ų | 103 | 56 Ų | 56 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58 | -41.6 | 174.9 | -75.9 | 175.5 | 173.7 | 169.2 | -3.3 | 110.8 | I269 D270 A275 I276 E277 L289 E301 | I269-R273 WeakPolarHBondContact O-CG 3.3Å; I269-R273 PolarHBondContact O-N 3.32Å; D270-R273 PolarHBondContact O-N 2.96Å; R273-A275 PolarHBondContact O-N 2.69Å; R273-I276 PolarHBondContact O-N 3.22Å; R273-E277 WeakPolarHBondContact O-CG 3.44Å; R273-E277 PolarHBondContact O-N 3.28Å; R273-L289 HydrophobicContact CG-CD1 4.44Å; R273-L289 HydrophobicContact CG-CD2 4.14Å; R273-E301 IonicContact NH2-OE2 3.96Å; R273-E301 PolarHBondContact NH2-OE2 3.37Å |
| 274 | R | 95.9 | Very high | 95.1 | Very high | 97 Ų | 97 | 57.5 Ų | 57.5 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.9 | -173 | 57.4 | -178.9 | 169.4 | 3.1 | 112.9 | N247 D270 T271 Y272 I276 E277 L278 | N247-R274 PolarHBondContact OD1-NH2 3.33Å; D270-R274 PolarHBondContact O-N 2.88Å; T271-R274 WeakPolarHBondContact O-CB 3.37Å; T271-R274 PolarHBondContact O-N 3.36Å; Y272-R274 PolarHBondContact O-N 3.21Å; R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 3.35Å; R274-E277 IonicContact CZ-OE2 3.1Å; R274-E277 IonicContact NH1-OE2 2.68Å; R274-E277 PolarHBondContact NH1-OE2 3.38Å; R274-E277 PolarHBondContact O-N 2.89Å; R274-L278 HydrophobicContact CG-CD1 4.35Å; R274-L278 VanDerWaalsContact O-CG 3.27Å; R274-L278 WeakPolarHBondContact O-CG 3.41Å; R274-L278 PolarHBondContact O-N 3.24Å; R274-L278 VanDerWaalsContact O-N 3.16Å |
| 275 | A | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A249 H252 T271 Y272 R273 L278 Q279 | A249-A275 WeakPolarHBondContact O-CB 3.35Å; H252-A275 HydrophobicContact CB-CB 3.77Å; T271-A275 PolarHBondContact O-N 2.69Å; Y272-A275 WeakPolarHBondContact O-CB 3.37Å; Y272-A275 PolarHBondContact O-N 2.95Å; Y272-A275 VanDerWaalsContact O-N 3.1Å; R273-A275 PolarHBondContact O-N 2.69Å; A275-L278 PolarHBondContact O-N 3.07Å; A275-Q279 PolarHBondContact O-N 3.45Å |
| 276 | I | 96.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70 | -40.1 | 179.7 | -68.5 | 163.3 | 0 | 0 | 0 | 111.8 | Y272 R273 R274 L278 Q279 P280 A285 Y286 L289 | Y272-I276 WeakPolarHBondContact O-CG1 3.37Å; Y272-I276 PolarHBondContact O-N 3.04Å; R273-I276 PolarHBondContact O-N 3.22Å; R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 3.35Å; I276-L278 VanDerWaalsContact C-N 3.26Å; I276-L278 PolarHBondContact O-N 2.9Å; I276-Q279 CarbonylContact O-C 3.24Å; I276-Q279 PolarHBondContact O-N 2.98Å; I276-P280 WeakPolarHBondContact O-CA 3.39Å; I276-P280 VanDerWaalsContact O-N 3.09Å; I276-A285 HydrophobicContact CD1-CB 4.32Å; I276-A285 HydrophobicContact CG1-CB 3.83Å; I276-Y286 HydrophobicContact CD1-CD1 3.89Å; I276-Y286 HydrophobicContact CD1-CD2 4.36Å; I276-Y286 HydrophobicContact CD1-CE1 4.01Å; I276-Y286 HydrophobicContact CD1-CE2 4.46Å; I276-Y286 HydrophobicContact CD1-CG 4.08Å; I276-Y286 HydrophobicContact CG1-CD2 4.38Å; I276-Y286 HydrophobicContact CG1-CE2 4.26Å; I276-Y286 HydrophobicContact CG2-CE1 3.92Å; I276-Y286 HydrophobicContact CG2-CE2 3.83Å; I276-Y286 WeakPolarHBondContact CG2-OH 3.42Å; I276-L289 HydrophobicContact CD1-CB 4.44Å; I276-L289 HydrophobicContact CD1-CD2 3.67Å |
| 277 | E | 95.7 | Very high | 95.2 | Very high | 130 Ų | 130 | 50 Ų | 50 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58.4 | -40.7 | 173.5 | -78.1 | 178 | -179.1 | 0 | 0 | 111.8 | R273 R274 | R273-E277 WeakPolarHBondContact O-CG 3.44Å; R273-E277 PolarHBondContact O-N 3.28Å; R274-E277 IonicContact CZ-OE2 3.1Å; R274-E277 IonicContact NH1-OE2 2.68Å; R274-E277 PolarHBondContact NH1-OE2 3.38Å; R274-E277 PolarHBondContact O-N 2.89Å |
| 278 | L | 94.5 | Very high | 95.3 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.6 | -37.5 | 178.7 | -68.8 | 171.5 | 0 | 0 | 0 | 112.1 | N247 A249 H252 R274 A275 I276 | N247-L278 HydrophobicContact CB-CD2 3.77Å; A249-L278 HydrophobicContact CB-CB 3.81Å; H252-L278 WeakPolarHBondContact CD2-CD1 3.35Å; R274-L278 HydrophobicContact CG-CD1 4.35Å; R274-L278 VanDerWaalsContact O-CG 3.27Å; R274-L278 WeakPolarHBondContact O-CG 3.41Å; R274-L278 PolarHBondContact O-N 3.24Å; R274-L278 VanDerWaalsContact O-N 3.16Å; A275-L278 PolarHBondContact O-N 3.07Å; I276-L278 VanDerWaalsContact C-N 3.26Å; I276-L278 PolarHBondContact O-N 2.9Å |
| 279 | Q | 94.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | trans | -139.4 | 95.1 | 177.9 | -174.1 | 175.4 | -10.2 | 0 | 0 | 111 | A249 A275 I276 H281 F282 | A249-Q279 HydrophobicContact CB-CB 3.54Å; A275-Q279 PolarHBondContact O-N 3.45Å; I276-Q279 CarbonylContact O-C 3.24Å; I276-Q279 PolarHBondContact O-N 2.98Å; Q279-H281 PolarHBondContact NE2-O 3.3Å; Q279-H281 PolarHBondContact O-N 3.43Å; Q279-F282 HydrophobicContact CG-CB 4.39Å; Q279-F282 WeakPolarHBondContact O-CB 3.32Å | ||
| 280 | P | 93.6 | Very high | 95.2 | Very high | 81 Ų | 81 | 49 Ų | 49 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -66.1 | -21.6 | -179.4 | -25.9 | 35.4 | 0 | 0 | 0 | 114.4 | I276 F282 Y286 L312 | I276-P280 WeakPolarHBondContact O-CA 3.39Å; I276-P280 VanDerWaalsContact O-N 3.09Å; P280-F282 VanDerWaalsContact C-N 3.34Å; P280-F282 PolarHBondContact O-N 3.16Å; P280-Y286 WeakPolarHBondContact O-CE2 3.46Å; P280-L312 WeakPolarHBondContact O-CD1 3.48Å |
| 281 | H | 93.5 | Very high | 95.1 | Very high | 122 Ų | 122 | 46.1 Ų | 46.1 | 57% | 0.565 | 22% | 0.222 | S | C | * | . | trans | -93.4 | 64.2 | 176.9 | -156.9 | 73.7 | 0 | 0 | 0 | 110.5 | Q279 L312 | Q279-H281 PolarHBondContact NE2-O 3.3Å; Q279-H281 PolarHBondContact O-N 3.43Å; H281-L312 WeakPolarHBondContact ND1-CD2 3.31Å | ||
| 282 | F | 92.7 | Very high | 95.1 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | trans | -136.1 | 80.1 | -177 | -163.2 | 178.9 | 0 | 0 | 0 | 112 | Q279 P280 D284 A285 Y286 | Q279-F282 HydrophobicContact CG-CB 4.39Å; Q279-F282 WeakPolarHBondContact O-CB 3.32Å; P280-F282 VanDerWaalsContact C-N 3.34Å; P280-F282 PolarHBondContact O-N 3.16Å; F282-D284 HydrophobicContact CD2-CB 4.33Å; F282-D284 HydrophobicContact CE2-CB 4.01Å; F282-D284 PolarHBondContact O-N 3.22Å; F282-A285 HydrophobicContact CB-CB 4.14Å; F282-A285 HydrophobicContact CD1-CB 3.61Å; F282-A285 HydrophobicContact CD2-CB 4.17Å; F282-A285 HydrophobicContact CE1-CB 4.02Å; F282-A285 HydrophobicContact CG-CB 3.69Å; F282-A285 HydrophobicContact CZ-CB 4.47Å; F282-A285 PolarHBondContact O-N 3.21Å; F282-Y286 WeakPolarHBondContact O-CD2 3.44Å; F282-Y286 PolarHBondContact O-N 2.76Å | ||
| 283 | P | 93.3 | Very high | 95 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 13% | 0.13 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.3 | -44.2 | -174.2 | -23.7 | 31.8 | 0 | 0 | 0 | 114.4 | A285 Y286 C287 A309 L312 C313 | P283-A285 VanDerWaalsContact C-N 3.28Å; P283-A285 PolarHBondContact O-N 3.19Å; P283-Y286 WeakPolarHBondContact O-CB 3.47Å; P283-Y286 PolarHBondContact O-N 3.17Å; P283-Y286 VanDerWaalsContact O-N 3.13Å; P283-C287 PolarHBondContact O-N 3.46Å; P283-A309 HydrophobicContact CB-CB 4.48Å; P283-L312 HydrophobicContact CG-CB 3.95Å; P283-C313 HydrophobicContact CB-CB 3.96Å; P283-C313 HydrophobicContact CG-CB 3.6Å |
| 284 | D | 92.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | -178.8 | -54.8 | -3.5 | 0 | 0 | 0 | 111.7 | F282 C287 N288 H316 | F282-D284 HydrophobicContact CD2-CB 4.33Å; F282-D284 HydrophobicContact CE2-CB 4.01Å; F282-D284 PolarHBondContact O-N 3.22Å; D284-C287 PolarHBondContact O-N 3.36Å; D284-N288 WeakPolarHBondContact O-CB 3.49Å; D284-N288 VanDerWaalsContact O-CG 3.27Å; D284-N288 PolarHBondContact O-N 3.31Å; D284-N288 PolarHBondContact O-ND2 2.99Å; D284-H316 IonicContact OD1-CD2 3.87Å; D284-H316 PolarHBondContact OD1-CD2 3.12Å; D284-H316 IonicContact OD1-NE2 3.09Å; D284-H316 PolarHBondContact OD1-NE2 3.11Å; D284-H316 VanDerWaalsContact OD1-NE2 3.08Å |
| 285 | A | 94.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I276 F282 P283 L289 | I276-A285 HydrophobicContact CD1-CB 4.32Å; I276-A285 HydrophobicContact CG1-CB 3.83Å; F282-A285 HydrophobicContact CB-CB 4.14Å; F282-A285 HydrophobicContact CD1-CB 3.61Å; F282-A285 HydrophobicContact CD2-CB 4.17Å; F282-A285 HydrophobicContact CE1-CB 4.02Å; F282-A285 HydrophobicContact CG-CB 3.69Å; F282-A285 HydrophobicContact CZ-CB 4.47Å; F282-A285 PolarHBondContact O-N 3.21Å; P283-A285 VanDerWaalsContact C-N 3.28Å; P283-A285 PolarHBondContact O-N 3.19Å; A285-L289 WeakPolarHBondContact O-CB 3.45Å; A285-L289 PolarHBondContact O-N 3.46Å |
| 286 | Y | 96.9 | Very high | 94.2 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 172.2 | -79.1 | -78 | 0 | 0 | 0 | 112 | I276 P280 F282 P283 A290 C305 T308 L312 | I276-Y286 HydrophobicContact CD1-CD1 3.89Å; I276-Y286 HydrophobicContact CD1-CD2 4.36Å; I276-Y286 HydrophobicContact CD1-CE1 4.01Å; I276-Y286 HydrophobicContact CD1-CE2 4.46Å; I276-Y286 HydrophobicContact CD1-CG 4.08Å; I276-Y286 HydrophobicContact CG1-CD2 4.38Å; I276-Y286 HydrophobicContact CG1-CE2 4.26Å; I276-Y286 HydrophobicContact CG2-CE1 3.92Å; I276-Y286 HydrophobicContact CG2-CE2 3.83Å; I276-Y286 WeakPolarHBondContact CG2-OH 3.42Å; P280-Y286 WeakPolarHBondContact O-CE2 3.46Å; F282-Y286 WeakPolarHBondContact O-CD2 3.44Å; F282-Y286 PolarHBondContact O-N 2.76Å; P283-Y286 WeakPolarHBondContact O-CB 3.47Å; P283-Y286 PolarHBondContact O-N 3.17Å; P283-Y286 VanDerWaalsContact O-N 3.13Å; Y286-A290 WeakPolarHBondContact O-CB 3.48Å; Y286-A290 PolarHBondContact O-N 3.31Å; Y286-C305 HydrophobicContact CD1-CB 4.47Å; Y286-T308 HydrophobicContact CD1-CG2 3.92Å; Y286-T308 HydrophobicContact CD2-CG2 4.27Å; Y286-T308 HydrophobicContact CE1-CG2 3.59Å; Y286-T308 HydrophobicContact CE2-CG2 3.97Å; Y286-T308 HydrophobicContact CG-CG2 4.24Å; Y286-L312 HydrophobicContact CD2-CD1 3.66Å; Y286-L312 HydrophobicContact CE2-CD1 3.55Å |
| 287 | C | 95.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.4 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | P283 D284 A290 N291 S319 | P283-C287 PolarHBondContact O-N 3.46Å; D284-C287 PolarHBondContact O-N 3.36Å; C287-A290 WeakPolarHBondContact O-CB 3.49Å; C287-A290 PolarHBondContact O-N 3.09Å; C287-N291 PolarHBondContact O-N 3.07Å; C287-S319 VanDerWaalsContact CB-OG 3.27Å; C287-S319 WeakPolarHBondContact CB-OG 3.39Å; C287-S319 PolarHBondContact SG-OG 3.02Å |
| 288 | N | 95.2 | Very high | 93.8 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -73.1 | -34.7 | -179.5 | -68.1 | -27.5 | 0 | 0 | 0 | 112.6 | Y272 D284 A290 N291 A292 | Y272-N288 HydrophobicContact CD1-CB 4.3Å; Y272-N288 HydrophobicContact CE1-CB 3.54Å; Y272-N288 HydrophobicContact CE2-CB 4.11Å; Y272-N288 VanDerWaalsContact CZ-CB 3.44Å; Y272-N288 WeakPolarHBondContact OH-CB 3.21Å; D284-N288 WeakPolarHBondContact O-CB 3.49Å; D284-N288 VanDerWaalsContact O-CG 3.27Å; D284-N288 PolarHBondContact O-N 3.31Å; D284-N288 PolarHBondContact O-ND2 2.99Å; N288-A290 VanDerWaalsContact C-N 3.29Å; N288-A290 PolarHBondContact O-N 2.88Å; N288-N291 WeakPolarHBondContact O-CB 3.44Å; N288-N291 PolarHBondContact O-N 3.34Å; N288-A292 PolarHBondContact O-N 2.88Å; N288-A292 VanDerWaalsContact O-N 3.08Å |
| 289 | L | 97 | Very high | 93.7 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 168.2 | 175.7 | 58.5 | 0 | 0 | 0 | 110.9 | I269 Y272 R273 I276 A285 N291 A292 L293 | I269-L289 HydrophobicContact CB-CD1 4.2Å; I269-L289 HydrophobicContact CG1-CD1 4.15Å; I269-L289 HydrophobicContact CG2-CD1 3.9Å; Y272-L289 HydrophobicContact CD2-CB 4.35Å; Y272-L289 HydrophobicContact CG-CB 4.23Å; R273-L289 HydrophobicContact CG-CD1 4.44Å; R273-L289 HydrophobicContact CG-CD2 4.14Å; I276-L289 HydrophobicContact CD1-CB 4.44Å; I276-L289 HydrophobicContact CD1-CD2 3.67Å; A285-L289 WeakPolarHBondContact O-CB 3.45Å; A285-L289 PolarHBondContact O-N 3.46Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3Å; L289-A292 PolarHBondContact O-N 2.64Å; L289-L293 HydrophobicContact CD1-CD1 3.98Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CD2-CD1 4.44Å; L289-L293 HydrophobicContact CG-CD1 3.78Å; L289-L293 HydrophobicContact CG-CG 4.29Å; L289-L293 WeakPolarHBondContact O-CB 3.18Å; L289-L293 VanDerWaalsContact O-CG 3.3Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 2.97Å |
| 290 | A | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y286 C287 N288 L293 K294 A302 C305 Y306 | Y286-A290 WeakPolarHBondContact O-CB 3.48Å; Y286-A290 PolarHBondContact O-N 3.31Å; C287-A290 WeakPolarHBondContact O-CB 3.49Å; C287-A290 PolarHBondContact O-N 3.09Å; N288-A290 VanDerWaalsContact C-N 3.29Å; N288-A290 PolarHBondContact O-N 2.88Å; A290-L293 PolarHBondContact O-N 2.85Å; A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 3.1Å; A290-A302 HydrophobicContact CB-CB 4.24Å; A290-A302 WeakPolarHBondContact CB-O 3.47Å; A290-A302 WeakPolarHBondContact O-CB 3.38Å; A290-C305 HydrophobicContact CB-CB 3.67Å; A290-Y306 HydrophobicContact CB-CD1 3.74Å; A290-Y306 HydrophobicContact CB-CD2 3.81Å; A290-Y306 HydrophobicContact CB-CE1 3.47Å; A290-Y306 VanDerWaalsContact CB-CE1 3.47Å; A290-Y306 HydrophobicContact CB-CE2 3.53Å; A290-Y306 HydrophobicContact CB-CG 3.89Å |
| 291 | N | 94.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 172.7 | -68.4 | -28.1 | 0 | 0 | 0 | 111 | C287 N288 L289 L293 K294 E295 Y306 N322 | C287-N291 PolarHBondContact O-N 3.07Å; N288-N291 WeakPolarHBondContact O-CB 3.44Å; N288-N291 PolarHBondContact O-N 3.34Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3Å; N291-L293 PolarHBondContact O-N 3.48Å; N291-K294 PolarHBondContact O-N 2.89Å; N291-E295 PolarHBondContact O-N 2.8Å; N291-Y306 PolarHBondContact OD1-OH 3.42Å; N291-N322 PolarHBondContact OD1-ND2 3.16Å |
| 292 | A | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y260 I265 I269 Y272 N288 L289 E295 K296 | Y260-A292 HydrophobicContact CD2-CB 3.89Å; Y260-A292 HydrophobicContact CE2-CB 4.15Å; I265-A292 HydrophobicContact CG2-CB 4.46Å; I265-A292 WeakPolarHBondContact CG2-O 3.49Å; I269-A292 HydrophobicContact CD1-CB 4.46Å; I269-A292 HydrophobicContact CG1-CB 3.79Å; Y272-A292 HydrophobicContact CE2-CB 4.46Å; N288-A292 PolarHBondContact O-N 2.88Å; N288-A292 VanDerWaalsContact O-N 3.08Å; L289-A292 PolarHBondContact O-N 2.64Å; A292-E295 PolarHBondContact O-N 3.21Å; A292-K296 PolarHBondContact O-N 2.8Å |
| 293 | L | 95.2 | Very high | 94 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 175.4 | -74.4 | 168.4 | 0 | 0 | 0 | 112.1 | I269 L289 A290 N291 E295 K296 G297 S298 E301 A302 | I269-L293 HydrophobicContact CD1-CD2 4.03Å; I269-L293 HydrophobicContact CG1-CD2 4.42Å; I269-L293 HydrophobicContact CG2-CD2 4.43Å; L289-L293 HydrophobicContact CD1-CD1 3.98Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CD2-CD1 4.44Å; L289-L293 HydrophobicContact CG-CD1 3.78Å; L289-L293 HydrophobicContact CG-CG 4.29Å; L289-L293 WeakPolarHBondContact O-CB 3.18Å; L289-L293 VanDerWaalsContact O-CG 3.3Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 2.97Å; A290-L293 PolarHBondContact O-N 2.85Å; N291-L293 PolarHBondContact O-N 3.48Å; L293-E295 VanDerWaalsContact C-N 3.35Å; L293-K296 PolarHBondContact O-N 3.08Å; L293-G297 PolarHBondContact O-N 3.45Å; L293-G297 VanDerWaalsContact O-N 3.13Å; L293-S298 PolarHBondContact O-N 2.78Å; L293-E301 HydrophobicContact CD1-CB 3.92Å; L293-E301 HydrophobicContact CD2-CB 4.46Å; L293-A302 HydrophobicContact CB-CB 3.98Å |
| 294 | K | 91.3 | Very high | 94.1 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 174.7 | -175 | -171.7 | 175.7 | -176.7 | 0 | 110.5 | A290 N291 K296 G297 A302 I326 E329 | A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 3.1Å; N291-K294 PolarHBondContact O-N 2.89Å; K294-K296 VanDerWaalsContact C-N 3.29Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-G297 WeakPolarHBondContact O-CA 3.21Å; K294-G297 PolarHBondContact O-N 3.47Å; K294-A302 HydrophobicContact CB-CB 4.28Å; K294-I326 HydrophobicContact CD-CD1 4.38Å; K294-I326 HydrophobicContact CD-CG1 4.24Å; K294-E329 WeakPolarHBondContact CE-OE2 3.27Å; K294-E329 IonicContact NZ-OE1 3.14Å; K294-E329 PolarHBondContact NZ-OE1 3.38Å; K294-E329 IonicContact NZ-OE2 2.78Å; K294-E329 PolarHBondContact NZ-OE2 2.98Å |
| 295 | E | 89.8 | Confident | 94.2 | Very high | 115 Ų | 115 | 42.7 Ų | 42.7 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.9 | -33.6 | 179 | -167.3 | 162.6 | 171.2 | 0 | 0 | 112.6 | Y260 I265 N291 A292 L293 G297 | Y260-E295 WeakPolarHBondContact CE2-OE2 3.3Å; Y260-E295 PolarHBondContact OH-OE2 3.49Å; I265-E295 HydrophobicContact CD1-CG 4.32Å; N291-E295 PolarHBondContact O-N 2.8Å; A292-E295 PolarHBondContact O-N 3.21Å; L293-E295 VanDerWaalsContact C-N 3.35Å; E295-G297 PolarHBondContact O-N 2.88Å |
| 296 | K | 91.8 | Very high | 94.4 | Very high | 112 Ų | 112 | 42.7 Ų | 42.7 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.2 | 169.7 | -171.4 | 169.3 | 176.3 | 170.7 | 0 | 113.8 | I265 D266 I269 A292 L293 K294 | I265-K296 HydrophobicContact CG2-CB 4.12Å; D266-K296 WeakPolarHBondContact OD1-CE 3.36Å; D266-K296 IonicContact OD1-NZ 2.69Å; D266-K296 PolarHBondContact OD1-NZ 3.09Å; I269-K296 HydrophobicContact CD1-CB 4.25Å; I269-K296 HydrophobicContact CD1-CD 3.55Å; A292-K296 PolarHBondContact O-N 2.8Å; L293-K296 PolarHBondContact O-N 3.08Å; K294-K296 VanDerWaalsContact C-N 3.29Å; K294-K296 PolarHBondContact O-N 2.87Å |
| 297 | G | 89.2 | Confident | 94.3 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 55% | 0.546 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L293 K294 E295 V299 | L293-G297 PolarHBondContact O-N 3.45Å; L293-G297 VanDerWaalsContact O-N 3.13Å; K294-G297 WeakPolarHBondContact O-CA 3.21Å; K294-G297 PolarHBondContact O-N 3.47Å; E295-G297 PolarHBondContact O-N 2.88Å; G297-V299 VanDerWaalsContact C-N 3.29Å; G297-V299 PolarHBondContact O-N 3.35Å |
| 298 | S | 93.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 44.5 Ų | 44.5 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | trans | -85.5 | 65 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | L293 A300 E301 A302 | L293-S298 PolarHBondContact O-N 2.78Å; S298-A300 PolarHBondContact O-N 3.03Å; S298-E301 PolarHBondContact O-N 3.17Å; S298-A302 PolarHBondContact O-N 3.13Å | ||
| 299 | V | 92.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -38.2 | -169.8 | -176.4 | 0 | 0 | 0 | 0 | 113 | G297 A302 E303 I326 | G297-V299 VanDerWaalsContact C-N 3.29Å; G297-V299 PolarHBondContact O-N 3.35Å; V299-A302 PolarHBondContact O-N 3.04Å; V299-E303 PolarHBondContact O-N 2.97Å; V299-I326 HydrophobicContact CG1-CD1 4.26Å; V299-I326 HydrophobicContact CG1-CG2 3.7Å |
| 300 | A | 93.5 | Very high | 94.2 | Very high | 71 Ų | 71 | 43 Ų | 43 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.8 | -46.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | S298 A302 E303 D304 | S298-A300 PolarHBondContact O-N 3.03Å; A300-A302 VanDerWaalsContact C-N 3.32Å; A300-A302 PolarHBondContact O-N 3.23Å; A300-E303 WeakPolarHBondContact O-CB 3.22Å; A300-E303 PolarHBondContact O-N 2.99Å; A300-D304 PolarHBondContact O-N 3.19Å; A300-D304 VanDerWaalsContact O-N 3.08Å |
| 301 | E | 95.1 | Very high | 94.1 | Very high | 93 Ų | 93 | 52 Ų | 52 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 176.4 | -68.5 | -174.9 | -149.9 | 0 | 0 | 111.8 | R273 L293 S298 E303 D304 C305 | R273-E301 IonicContact NH2-OE2 3.96Å; R273-E301 PolarHBondContact NH2-OE2 3.37Å; L293-E301 HydrophobicContact CD1-CB 3.92Å; L293-E301 HydrophobicContact CD2-CB 4.46Å; S298-E301 PolarHBondContact O-N 3.17Å; E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.5Å; E301-D304 PolarHBondContact O-N 2.88Å; E301-C305 WeakPolarHBondContact O-CB 3.28Å; E301-C305 PolarHBondContact O-N 2.96Å; E301-C305 PolarHBondContact O-SG 3.43Å |
| 302 | A | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A290 L293 K294 S298 V299 A300 C305 Y306 I326 | A290-A302 HydrophobicContact CB-CB 4.24Å; A290-A302 WeakPolarHBondContact CB-O 3.47Å; A290-A302 WeakPolarHBondContact O-CB 3.38Å; L293-A302 HydrophobicContact CB-CB 3.98Å; K294-A302 HydrophobicContact CB-CB 4.28Å; S298-A302 PolarHBondContact O-N 3.13Å; V299-A302 PolarHBondContact O-N 3.04Å; A300-A302 VanDerWaalsContact C-N 3.32Å; A300-A302 PolarHBondContact O-N 3.23Å; A302-C305 PolarHBondContact O-N 2.63Å; A302-Y306 HydrophobicContact CB-CE2 4.41Å; A302-Y306 WeakPolarHBondContact O-CD2 3.23Å; A302-Y306 PolarHBondContact O-N 3.38Å; A302-I326 HydrophobicContact CB-CD1 4.15Å |
| 303 | E | 95.2 | Very high | 94.1 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.5 | -157.8 | -174.9 | 138.6 | 0 | 0 | 112 | V299 A300 E301 C305 Y306 N307 L323 K327 Q330 | V299-E303 PolarHBondContact O-N 2.97Å; A300-E303 WeakPolarHBondContact O-CB 3.22Å; A300-E303 PolarHBondContact O-N 2.99Å; E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.5Å; E303-C305 VanDerWaalsContact C-N 3.29Å; E303-C305 PolarHBondContact O-N 2.84Å; E303-Y306 PolarHBondContact O-N 2.84Å; E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 PolarHBondContact O-N 2.85Å; E303-N307 PolarHBondContact O-ND2 2.94Å; E303-N307 VanDerWaalsContact O-ND2 3.16Å; E303-L323 HydrophobicContact CG-CD1 3.5Å; E303-L323 VanDerWaalsContact CG-CD1 3.5Å; E303-K327 WeakPolarHBondContact OE1-CE 3.39Å; E303-K327 IonicContact OE1-NZ 3Å; E303-K327 PolarHBondContact OE1-NZ 3.37Å; E303-K327 IonicContact OE2-NZ 2.76Å; E303-K327 PolarHBondContact OE2-NZ 3.01Å; E303-Q330 PolarHBondContact OE2-NE2 3.49Å |
| 304 | D | 95.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 57.5 Ų | 57.5 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.6 | -37.8 | 176.5 | -74.6 | -24.1 | 0 | 0 | 0 | 112.2 | A300 E301 T308 | A300-D304 PolarHBondContact O-N 3.19Å; A300-D304 VanDerWaalsContact O-N 3.08Å; E301-D304 PolarHBondContact O-N 2.88Å; D304-T308 WeakPolarHBondContact O-CB 3.37Å; D304-T308 PolarHBondContact O-N 3.38Å; D304-T308 PolarHBondContact O-OG1 2.82Å |
| 305 | C | 96.2 | Very high | 93.9 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 175.3 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | Y286 A290 E301 A302 E303 N307 T308 A309 | Y286-C305 HydrophobicContact CD1-CB 4.47Å; A290-C305 HydrophobicContact CB-CB 3.67Å; E301-C305 WeakPolarHBondContact O-CB 3.28Å; E301-C305 PolarHBondContact O-N 2.96Å; E301-C305 PolarHBondContact O-SG 3.43Å; A302-C305 PolarHBondContact O-N 2.63Å; E303-C305 VanDerWaalsContact C-N 3.29Å; E303-C305 PolarHBondContact O-N 2.84Å; C305-N307 PolarHBondContact O-N 2.79Å; C305-T308 PolarHBondContact O-N 2.83Å; C305-A309 PolarHBondContact O-N 3.44Å |
| 306 | Y | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.2 | -70.1 | -55.9 | 0 | 0 | 0 | 112.3 | A290 N291 A302 E303 T308 A309 L310 N322 L323 I326 | A290-Y306 HydrophobicContact CB-CD1 3.74Å; A290-Y306 HydrophobicContact CB-CD2 3.81Å; A290-Y306 HydrophobicContact CB-CE1 3.47Å; A290-Y306 VanDerWaalsContact CB-CE1 3.47Å; A290-Y306 HydrophobicContact CB-CE2 3.53Å; A290-Y306 HydrophobicContact CB-CG 3.89Å; N291-Y306 PolarHBondContact OD1-OH 3.42Å; A302-Y306 HydrophobicContact CB-CE2 4.41Å; A302-Y306 WeakPolarHBondContact O-CD2 3.23Å; A302-Y306 PolarHBondContact O-N 3.38Å; E303-Y306 PolarHBondContact O-N 2.84Å; Y306-T308 PolarHBondContact O-N 2.88Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 2.75Å; Y306-L310 VanDerWaalsContact O-CG 3.3Å; Y306-L310 WeakPolarHBondContact O-CG 3.33Å; Y306-L310 PolarHBondContact O-N 2.71Å; Y306-N322 HydrophobicContact CD1-CB 4.47Å; Y306-N322 HydrophobicContact CE1-CB 3.61Å; Y306-N322 HydrophobicContact CE2-CB 4.25Å; Y306-N322 VanDerWaalsContact CZ-CB 3.49Å; Y306-N322 WeakPolarHBondContact OH-CB 3.27Å; Y306-L323 HydrophobicContact CD2-CB 4.34Å; Y306-L323 HydrophobicContact CD2-CD1 4.37Å; Y306-L323 HydrophobicContact CG-CB 4.24Å; Y306-I326 HydrophobicContact CD2-CD1 4.08Å; Y306-I326 HydrophobicContact CE2-CD1 3.64Å |
| 307 | N | 95.2 | Very high | 94.1 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -34.6 | 176.7 | -75.4 | -38.9 | 0 | 0 | 0 | 111.6 | E303 C305 R311 | E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 PolarHBondContact O-N 2.85Å; E303-N307 PolarHBondContact O-ND2 2.94Å; E303-N307 VanDerWaalsContact O-ND2 3.16Å; C305-N307 PolarHBondContact O-N 2.79Å; N307-R311 WeakPolarHBondContact O-CG 3.4Å; N307-R311 PolarHBondContact O-N 2.99Å |
| 308 | T | 95.9 | Very high | 94.4 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.2 | -45.2 | 174.6 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | Y286 D304 C305 Y306 L310 R311 L312 | Y286-T308 HydrophobicContact CD1-CG2 3.92Å; Y286-T308 HydrophobicContact CD2-CG2 4.27Å; Y286-T308 HydrophobicContact CE1-CG2 3.59Å; Y286-T308 HydrophobicContact CE2-CG2 3.97Å; Y286-T308 HydrophobicContact CG-CG2 4.24Å; D304-T308 WeakPolarHBondContact O-CB 3.37Å; D304-T308 PolarHBondContact O-N 3.38Å; D304-T308 PolarHBondContact O-OG1 2.82Å; C305-T308 PolarHBondContact O-N 2.83Å; Y306-T308 PolarHBondContact O-N 2.88Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.86Å; T308-R311 PolarHBondContact O-N 2.98Å; T308-R311 VanDerWaalsContact O-N 3.14Å; T308-R311 PolarHBondContact OG1-NH2 3.35Å; T308-L312 HydrophobicContact CG2-CD1 4.31Å; T308-L312 WeakPolarHBondContact O-CG 3.33Å; T308-L312 PolarHBondContact O-N 3.14Å |
| 309 | A | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.6 | -43.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P283 C305 Y306 L312 C313 S319 | P283-A309 HydrophobicContact CB-CB 4.48Å; C305-A309 PolarHBondContact O-N 3.44Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 2.75Å; A309-L312 PolarHBondContact O-N 2.79Å; A309-C313 PolarHBondContact O-N 3.43Å; A309-S319 WeakPolarHBondContact CB-OG 3.28Å |
| 310 | L | 94.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.3 | -26.6 | 179.3 | -65.2 | 174.4 | 0 | 0 | 0 | 114.1 | Y306 T308 C313 P314 H316 L320 L323 | Y306-L310 VanDerWaalsContact O-CG 3.3Å; Y306-L310 WeakPolarHBondContact O-CG 3.33Å; Y306-L310 PolarHBondContact O-N 2.71Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.86Å; L310-C313 CarbonylContact O-C 3.58Å; L310-P314 VanDerWaalsContact O-CA 3.25Å; L310-P314 WeakPolarHBondContact O-CA 3.44Å; L310-P314 WeakPolarHBondContact O-CG 3.36Å; L310-H316 HydrophobicContact CD2-CB 4.41Å; L310-L320 HydrophobicContact CD1-CD2 3.79Å; L310-L320 HydrophobicContact CD1-CG 4.42Å; L310-L320 HydrophobicContact CD2-CD2 3.72Å; L310-L320 HydrophobicContact CD2-CG 3.62Å; L310-L320 HydrophobicContact CG-CD2 4.41Å; L310-L323 HydrophobicContact CD1-CD2 3.77Å |
| 311 | R | 95.7 | Very high | 94.7 | Very high | 187 Ų | 187 | 44 Ų | 44 | 71% | 0.706 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.2 | -37.2 | 169.4 | -80.8 | -176 | -66.2 | -171.6 | 1 | 111.7 | N307 T308 | N307-R311 WeakPolarHBondContact O-CG 3.4Å; N307-R311 PolarHBondContact O-N 2.99Å; T308-R311 PolarHBondContact O-N 2.98Å; T308-R311 VanDerWaalsContact O-N 3.14Å; T308-R311 PolarHBondContact OG1-NH2 3.35Å |
| 312 | L | 94.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -76 | -42.8 | 178.6 | -61.6 | 170.2 | 0 | 0 | 0 | 111.5 | P280 H281 P283 Y286 T308 A309 | P280-L312 WeakPolarHBondContact O-CD1 3.48Å; H281-L312 WeakPolarHBondContact ND1-CD2 3.31Å; P283-L312 HydrophobicContact CG-CB 3.95Å; Y286-L312 HydrophobicContact CD2-CD1 3.66Å; Y286-L312 HydrophobicContact CE2-CD1 3.55Å; T308-L312 HydrophobicContact CG2-CD1 4.31Å; T308-L312 WeakPolarHBondContact O-CG 3.33Å; T308-L312 PolarHBondContact O-N 3.14Å; A309-L312 PolarHBondContact O-N 2.79Å |
| 313 | C | 93.7 | Very high | 94.7 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | trans | -138 | 94 | 178.8 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | P283 A309 L310 T315 H316 | P283-C313 HydrophobicContact CB-CB 3.96Å; P283-C313 HydrophobicContact CG-CB 3.6Å; A309-C313 PolarHBondContact O-N 3.43Å; L310-C313 CarbonylContact O-C 3.58Å; C313-T315 PolarHBondContact O-N 2.92Å; C313-T315 PolarHBondContact SG-OG1 3.18Å; C313-T315 VanDerWaalsContact SG-OG1 3.39Å; C313-H316 HydrophobicContact CB-CB 4.21Å; C313-H316 WeakPolarHBondContact O-CB 3.12Å; C313-H316 PolarHBondContact O-N 2.88Å; C313-H316 VanDerWaalsContact O-N 3.08Å | ||
| 314 | P | 92 | Very high | 94.7 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.4 | -179.8 | -25.6 | 34.8 | 0 | 0 | 0 | 114.9 | L310 | L310-P314 VanDerWaalsContact O-CA 3.25Å; L310-P314 WeakPolarHBondContact O-CA 3.44Å; L310-P314 WeakPolarHBondContact O-CG 3.36Å |
| 315 | T | 91.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 35.7 Ų | 35.7 | 56% | 0.558 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 19.4 | 178.6 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | C313 A317 V346 | C313-T315 PolarHBondContact O-N 2.92Å; C313-T315 PolarHBondContact SG-OG1 3.18Å; C313-T315 VanDerWaalsContact SG-OG1 3.39Å; T315-A317 PolarHBondContact O-N 3.02Å; T315-V346 HydrophobicContact CG2-CG2 4.45Å; T315-V346 WeakPolarHBondContact O-CG1 3.48Å |
| 316 | H | 92.5 | Very high | 94.4 | Very high | 24 Ų | 24 | 35 Ų | 35 | 11% | 0.111 | 18% | 0.184 | C | C | . | . | trans | -82.6 | 93.6 | 176.6 | -166.8 | -98.6 | 0 | 0 | 0 | 110.9 | D284 L310 C313 D318 S319 L320 | D284-H316 IonicContact OD1-CD2 3.87Å; D284-H316 PolarHBondContact OD1-CD2 3.12Å; D284-H316 IonicContact OD1-NE2 3.09Å; D284-H316 PolarHBondContact OD1-NE2 3.11Å; D284-H316 VanDerWaalsContact OD1-NE2 3.08Å; L310-H316 HydrophobicContact CD2-CB 4.41Å; C313-H316 HydrophobicContact CB-CB 4.21Å; C313-H316 WeakPolarHBondContact O-CB 3.12Å; C313-H316 PolarHBondContact O-N 2.88Å; C313-H316 VanDerWaalsContact O-N 3.08Å; H316-D318 PolarHBondContact O-N 2.68Å; H316-S319 PolarHBondContact CE1-OG 3.07Å; H316-S319 WeakPolarHBondContact ND1-CB 3.23Å; H316-S319 PolarHBondContact ND1-N 3.31Å; H316-S319 PolarHBondContact ND1-OG 3.2Å; H316-S319 PolarHBondContact O-N 2.89Å; H316-L320 PolarHBondContact O-N 3.11Å | ||
| 317 | A | 93.2 | Very high | 94.3 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 12% | 0.116 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T315 S319 L320 N321 V346 F347 F350 | T315-A317 PolarHBondContact O-N 3.02Å; A317-S319 VanDerWaalsContact C-N 3.34Å; A317-S319 PolarHBondContact O-N 2.53Å; A317-L320 WeakPolarHBondContact O-CB 3.4Å; A317-L320 PolarHBondContact O-N 2.75Å; A317-N321 PolarHBondContact O-N 3.06Å; A317-V346 HydrophobicContact CB-CG1 4.12Å; A317-F347 HydrophobicContact CB-CB 3.91Å; A317-F350 HydrophobicContact CB-CD1 4.23Å; A317-F350 HydrophobicContact CB-CE1 4.31Å |
| 318 | D | 94 | Very high | 94 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.9 | -72.4 | -26.3 | 0 | 0 | 0 | 112 | H316 N321 N322 F350 | H316-D318 PolarHBondContact O-N 2.68Å; D318-N321 PolarHBondContact O-N 3Å; D318-N322 WeakPolarHBondContact O-CB 3.26Å; D318-N322 VanDerWaalsContact O-CG 3.26Å; D318-N322 PolarHBondContact O-N 2.96Å; D318-F350 WeakPolarHBondContact OD1-CZ 3.26Å |
| 319 | S | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 175.5 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | C287 A309 H316 A317 L323 | C287-S319 VanDerWaalsContact CB-OG 3.27Å; C287-S319 WeakPolarHBondContact CB-OG 3.39Å; C287-S319 PolarHBondContact SG-OG 3.02Å; A309-S319 WeakPolarHBondContact CB-OG 3.28Å; H316-S319 PolarHBondContact CE1-OG 3.07Å; H316-S319 WeakPolarHBondContact ND1-CB 3.23Å; H316-S319 PolarHBondContact ND1-N 3.31Å; H316-S319 PolarHBondContact ND1-OG 3.2Å; H316-S319 PolarHBondContact O-N 2.89Å; A317-S319 VanDerWaalsContact C-N 3.34Å; A317-S319 PolarHBondContact O-N 2.53Å; S319-L323 WeakPolarHBondContact O-CB 3.49Å; S319-L323 PolarHBondContact O-N 3.2Å |
| 320 | L | 96.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 174.7 | -71.6 | 168.8 | 0 | 0 | 0 | 111.1 | L310 H316 A317 A324 L339 K342 A343 V346 | L310-L320 HydrophobicContact CD1-CD2 3.79Å; L310-L320 HydrophobicContact CD1-CG 4.42Å; L310-L320 HydrophobicContact CD2-CD2 3.72Å; L310-L320 HydrophobicContact CD2-CG 3.62Å; L310-L320 HydrophobicContact CG-CD2 4.41Å; H316-L320 PolarHBondContact O-N 3.11Å; A317-L320 WeakPolarHBondContact O-CB 3.4Å; A317-L320 PolarHBondContact O-N 2.75Å; L320-A324 VanDerWaalsContact O-CB 3.32Å; L320-A324 WeakPolarHBondContact O-CB 3.41Å; L320-A324 PolarHBondContact O-N 3.07Å; L320-L339 HydrophobicContact CD2-CD2 3.96Å; L320-K342 HydrophobicContact CD1-CB 4.33Å; L320-K342 HydrophobicContact CD1-CD 4.47Å; L320-K342 HydrophobicContact CD1-CG 3.99Å; L320-K342 HydrophobicContact CD2-CD 4.15Å; L320-K342 HydrophobicContact CD2-CG 4.41Å; L320-A343 HydrophobicContact CB-CB 3.69Å; L320-A343 HydrophobicContact CD1-CB 4.39Å; L320-V346 HydrophobicContact CD1-CG2 4.18Å |
| 321 | N | 95.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 179.8 | 174.3 | 77.4 | 0 | 0 | 0 | 112.3 | A317 D318 A324 N325 Y340 A343 F350 A353 N356 | A317-N321 PolarHBondContact O-N 3.06Å; D318-N321 PolarHBondContact O-N 3Å; N321-A324 WeakPolarHBondContact O-CB 3.49Å; N321-A324 PolarHBondContact O-N 3.23Å; N321-N325 VanDerWaalsContact O-CG 3.31Å; N321-N325 PolarHBondContact O-N 2.63Å; N321-Y340 WeakPolarHBondContact OD1-CE1 3.12Å; N321-A343 HydrophobicContact CB-CB 4.46Å; N321-F350 HydrophobicContact CB-CD1 4.39Å; N321-F350 HydrophobicContact CB-CE1 3.57Å; N321-F350 HydrophobicContact CB-CZ 4.02Å; N321-A353 HydrophobicContact CB-CB 4.45Å; N321-A353 WeakPolarHBondContact OD1-CA 3.23Å; N321-N356 PolarHBondContact OD1-ND2 3.36Å |
| 322 | N | 94.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.3 | -34.6 | -177.2 | -66.7 | -8.2 | 0 | 0 | 0 | 112.2 | N291 Y306 D318 A324 N325 I326 | N291-N322 PolarHBondContact OD1-ND2 3.16Å; Y306-N322 HydrophobicContact CD1-CB 4.47Å; Y306-N322 HydrophobicContact CE1-CB 3.61Å; Y306-N322 HydrophobicContact CE2-CB 4.25Å; Y306-N322 VanDerWaalsContact CZ-CB 3.49Å; Y306-N322 WeakPolarHBondContact OH-CB 3.27Å; D318-N322 WeakPolarHBondContact O-CB 3.26Å; D318-N322 VanDerWaalsContact O-CG 3.26Å; D318-N322 PolarHBondContact O-N 2.96Å; N322-A324 VanDerWaalsContact C-N 3.34Å; N322-N325 WeakPolarHBondContact O-CB 3.18Å; N322-N325 PolarHBondContact O-N 3.23Å; N322-I326 PolarHBondContact O-N 2.81Å; N322-I326 VanDerWaalsContact O-N 3.15Å |
| 323 | L | 96 | Very high | 91.9 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 169.5 | -178.3 | 60.5 | 0 | 0 | 0 | 111.2 | E303 Y306 L310 S319 N325 I326 K327 L339 | E303-L323 HydrophobicContact CG-CD1 3.5Å; E303-L323 VanDerWaalsContact CG-CD1 3.5Å; Y306-L323 HydrophobicContact CD2-CB 4.34Å; Y306-L323 HydrophobicContact CD2-CD1 4.37Å; Y306-L323 HydrophobicContact CG-CB 4.24Å; L310-L323 HydrophobicContact CD1-CD2 3.77Å; S319-L323 WeakPolarHBondContact O-CB 3.49Å; S319-L323 PolarHBondContact O-N 3.2Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 2.71Å; L323-I326 PolarHBondContact O-N 3.01Å; L323-K327 WeakPolarHBondContact O-CG 3.32Å; L323-K327 PolarHBondContact O-N 3.25Å; L323-L339 HydrophobicContact CB-CD1 4.38Å; L323-L339 HydrophobicContact CD2-CD1 3.99Å; L323-L339 HydrophobicContact CD2-CD2 4.28Å; L323-L339 HydrophobicContact CG-CD1 3.8Å |
| 324 | A | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L320 N321 N322 I326 K327 R328 A336 L339 Y340 | L320-A324 VanDerWaalsContact O-CB 3.32Å; L320-A324 WeakPolarHBondContact O-CB 3.41Å; L320-A324 PolarHBondContact O-N 3.07Å; N321-A324 WeakPolarHBondContact O-CB 3.49Å; N321-A324 PolarHBondContact O-N 3.23Å; N322-A324 VanDerWaalsContact C-N 3.34Å; A324-I326 VanDerWaalsContact C-N 3.34Å; A324-I326 PolarHBondContact O-N 2.96Å; A324-K327 PolarHBondContact O-N 2.82Å; A324-R328 WeakPolarHBondContact O-CB 3.26Å; A324-R328 PolarHBondContact O-N 3.28Å; A324-A336 WeakPolarHBondContact O-CB 3.01Å; A324-L339 HydrophobicContact CB-CB 3.61Å; A324-L339 HydrophobicContact CB-CD1 4.37Å; A324-Y340 HydrophobicContact CB-CD1 3.5Å; A324-Y340 VanDerWaalsContact CB-CD1 3.5Å; A324-Y340 HydrophobicContact CB-CD2 3.96Å; A324-Y340 HydrophobicContact CB-CE1 3.34Å; A324-Y340 HydrophobicContact CB-CE2 3.82Å; A324-Y340 HydrophobicContact CB-CG 3.79Å |
| 325 | N | 93.7 | Very high | 91.6 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 174.2 | -66.9 | -22.8 | 0 | 0 | 0 | 111.8 | N321 N322 L323 R328 E329 Y340 N356 | N321-N325 VanDerWaalsContact O-CG 3.31Å; N321-N325 PolarHBondContact O-N 2.63Å; N322-N325 WeakPolarHBondContact O-CB 3.18Å; N322-N325 PolarHBondContact O-N 3.23Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 2.71Å; N325-R328 WeakPolarHBondContact O-CB 3.36Å; N325-R328 PolarHBondContact O-N 2.73Å; N325-E329 WeakPolarHBondContact O-CG 3.4Å; N325-E329 PolarHBondContact O-N 3.46Å; N325-Y340 WeakPolarHBondContact CA-OH 3.41Å; N325-Y340 PolarHBondContact N-OH 3.28Å; N325-Y340 WeakPolarHBondContact OD1-CE1 3.36Å; N325-Y340 PolarHBondContact OD1-OH 3.11Å; N325-N356 PolarHBondContact OD1-ND2 3.02Å |
| 326 | I | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.4 | -71.2 | -178 | 0 | 0 | 0 | 110.8 | K294 V299 A302 Y306 N322 L323 A324 R328 E329 Q330 | K294-I326 HydrophobicContact CD-CD1 4.38Å; K294-I326 HydrophobicContact CD-CG1 4.24Å; V299-I326 HydrophobicContact CG1-CD1 4.26Å; V299-I326 HydrophobicContact CG1-CG2 3.7Å; A302-I326 HydrophobicContact CB-CD1 4.15Å; Y306-I326 HydrophobicContact CD2-CD1 4.08Å; Y306-I326 HydrophobicContact CE2-CD1 3.64Å; N322-I326 PolarHBondContact O-N 2.81Å; N322-I326 VanDerWaalsContact O-N 3.15Å; L323-I326 PolarHBondContact O-N 3.01Å; A324-I326 VanDerWaalsContact C-N 3.34Å; A324-I326 PolarHBondContact O-N 2.96Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.99Å; I326-E329 PolarHBondContact O-N 3.05Å; I326-E329 VanDerWaalsContact O-N 3.12Å; I326-Q330 HydrophobicContact CG2-CG 4.24Å; I326-Q330 VanDerWaalsContact O-CG 3.32Å; I326-Q330 WeakPolarHBondContact O-CG 3.23Å; I326-Q330 PolarHBondContact O-N 2.59Å |
| 327 | K | 93.2 | Very high | 91.7 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 12% | 0.122 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -37.5 | 178.6 | -69.8 | -69.5 | 166.3 | -155.9 | 0 | 112.1 | E303 L323 A324 Q330 G331 N332 E335 A336 L339 | E303-K327 WeakPolarHBondContact OE1-CE 3.39Å; E303-K327 IonicContact OE1-NZ 3Å; E303-K327 PolarHBondContact OE1-NZ 3.37Å; E303-K327 IonicContact OE2-NZ 2.76Å; E303-K327 PolarHBondContact OE2-NZ 3.01Å; L323-K327 WeakPolarHBondContact O-CG 3.32Å; L323-K327 PolarHBondContact O-N 3.25Å; A324-K327 PolarHBondContact O-N 2.82Å; K327-Q330 VanDerWaalsContact NZ-OE1 3.09Å; K327-Q330 PolarHBondContact O-N 3.5Å; K327-G331 PolarHBondContact O-N 2.72Å; K327-N332 HydrophobicContact CB-CB 4.36Å; K327-N332 HydrophobicContact CD-CB 4.23Å; K327-N332 WeakPolarHBondContact O-CA 3.46Å; K327-N332 PolarHBondContact O-N 3.01Å; K327-E335 HydrophobicContact CD-CG 4.11Å; K327-E335 HydrophobicContact CG-CG 4.15Å; K327-A336 HydrophobicContact CB-CB 4.02Å; K327-L339 HydrophobicContact CG-CD1 3.92Å |
| 328 | R | 89.6 | Confident | 91.8 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 172.3 | -173.2 | -170.9 | 72.8 | 147.2 | -0.2 | 111.6 | A324 N325 I326 Q330 G331 A336 V360 | A324-R328 WeakPolarHBondContact O-CB 3.26Å; A324-R328 PolarHBondContact O-N 3.28Å; N325-R328 WeakPolarHBondContact O-CB 3.36Å; N325-R328 PolarHBondContact O-N 2.73Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.99Å; R328-Q330 PolarHBondContact O-N 2.88Å; R328-G331 PolarHBondContact O-N 2.92Å; R328-A336 HydrophobicContact CB-CB 4.02Å; R328-V360 VanDerWaalsContact CD-CG2 3.5Å; R328-V360 HydrophobicContact CG-CG2 3.96Å |
| 329 | E | 86.1 | Confident | 91.9 | Very high | 110 Ų | 110 | 42.2 Ų | 42.2 | 51% | 0.514 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -31.9 | 177.5 | -72.8 | 166 | -163.2 | 0 | 0 | 112.3 | K294 N325 I326 G331 | K294-E329 WeakPolarHBondContact CE-OE2 3.27Å; K294-E329 IonicContact NZ-OE1 3.14Å; K294-E329 PolarHBondContact NZ-OE1 3.38Å; K294-E329 IonicContact NZ-OE2 2.78Å; K294-E329 PolarHBondContact NZ-OE2 2.98Å; N325-E329 WeakPolarHBondContact O-CG 3.4Å; N325-E329 PolarHBondContact O-N 3.46Å; I326-E329 PolarHBondContact O-N 3.05Å; I326-E329 VanDerWaalsContact O-N 3.12Å; E329-G331 VanDerWaalsContact C-N 3.27Å; E329-G331 PolarHBondContact O-N 3.28Å |
| 330 | Q | 87.1 | Confident | 92 | Very high | 79 Ų | 79 | 42.2 Ų | 42.2 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -6.8 | 173.3 | -69.3 | 172.3 | -5.5 | 0 | 0 | 113.8 | E303 I326 K327 R328 N332 | E303-Q330 PolarHBondContact OE2-NE2 3.49Å; I326-Q330 HydrophobicContact CG2-CG 4.24Å; I326-Q330 VanDerWaalsContact O-CG 3.32Å; I326-Q330 WeakPolarHBondContact O-CG 3.23Å; I326-Q330 PolarHBondContact O-N 2.59Å; K327-Q330 VanDerWaalsContact NZ-OE1 3.09Å; K327-Q330 PolarHBondContact O-N 3.5Å; R328-Q330 PolarHBondContact O-N 2.88Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact OE1-ND2 3.34Å |
| 331 | G | 81.7 | Confident | 92 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 5.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K327 R328 E329 I333 | K327-G331 PolarHBondContact O-N 2.72Å; R328-G331 PolarHBondContact O-N 2.92Å; E329-G331 VanDerWaalsContact C-N 3.27Å; E329-G331 PolarHBondContact O-N 3.28Å; G331-I333 VanDerWaalsContact C-N 3.27Å; G331-I333 WeakPolarHBondContact O-CG1 3.33Å; G331-I333 PolarHBondContact O-N 3.27Å |
| 332 | N | 88.8 | Confident | 92 | Very high | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | trans | -82.9 | 69.9 | 176.8 | -64.9 | -40.5 | 0 | 0 | 0 | 110.2 | K327 Q330 E335 A336 | K327-N332 HydrophobicContact CB-CB 4.36Å; K327-N332 HydrophobicContact CD-CB 4.23Å; K327-N332 WeakPolarHBondContact O-CA 3.46Å; K327-N332 PolarHBondContact O-N 3.01Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact OE1-ND2 3.34Å; N332-E335 HydrophobicContact CB-CB 4.31Å; N332-E335 PolarHBondContact O-N 3.04Å; N332-A336 PolarHBondContact O-N 3.44Å | ||
| 333 | I | 86.7 | Confident | 92.1 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.138 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | -166.2 | -53.1 | -52.1 | 0 | 0 | 0 | 112.6 | G331 E335 A336 V337 V360 Q364 | G331-I333 VanDerWaalsContact C-N 3.27Å; G331-I333 WeakPolarHBondContact O-CG1 3.33Å; G331-I333 PolarHBondContact O-N 3.27Å; I333-E335 VanDerWaalsContact C-N 3.29Å; I333-E335 PolarHBondContact O-N 3.2Å; I333-A336 PolarHBondContact O-N 3.31Å; I333-V337 WeakPolarHBondContact O-CG2 2.91Å; I333-V337 PolarHBondContact O-N 2.9Å; I333-V360 HydrophobicContact CG2-CG1 3.38Å; I333-Q364 HydrophobicContact CG2-CG 4.41Å |
| 334 | E | 87.7 | Confident | 92.1 | Very high | 134 Ų | 134 | 51.1 Ų | 51.1 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.9 | -40.5 | -178.6 | -62.9 | 69.6 | -148.9 | 0 | 0 | 111.1 | V337 R338 | E334-V337 PolarHBondContact O-N 3.41Å; E334-R338 PolarHBondContact O-N 2.71Å |
| 335 | E | 92.1 | Very high | 92.1 | Very high | 55 Ų | 55 | 58.6 Ų | 58.6 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 177.9 | -173.3 | 54.8 | -148.3 | 0 | 0 | 111.3 | K327 N332 I333 V337 R338 L339 | K327-E335 HydrophobicContact CD-CG 4.11Å; K327-E335 HydrophobicContact CG-CG 4.15Å; N332-E335 HydrophobicContact CB-CB 4.31Å; N332-E335 PolarHBondContact O-N 3.04Å; I333-E335 VanDerWaalsContact C-N 3.29Å; I333-E335 PolarHBondContact O-N 3.2Å; E335-V337 PolarHBondContact O-N 2.86Å; E335-R338 PolarHBondContact O-N 2.78Å; E335-R338 IonicContact OE1-CZ 3.81Å; E335-R338 VanDerWaalsContact OE1-CZ 3.3Å; E335-R338 IonicContact OE1-NE 3.3Å; E335-R338 PolarHBondContact OE1-NE 2.95Å; E335-R338 IonicContact OE1-NH2 3.64Å; E335-R338 PolarHBondContact OE1-NH2 3.19Å; E335-R338 IonicContact OE2-CZ 3.36Å; E335-R338 IonicContact OE2-NE 2.79Å; E335-R338 PolarHBondContact OE2-NE 3.23Å; E335-R338 IonicContact OE2-NH1 3.82Å; E335-R338 IonicContact OE2-NH2 3.14Å; E335-R338 PolarHBondContact OE2-NH2 3.22Å; E335-L339 HydrophobicContact CG-CD1 4.23Å; E335-L339 WeakPolarHBondContact O-CG 3.37Å; E335-L339 PolarHBondContact O-N 3.35Å |
| 336 | A | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A324 K327 R328 N332 I333 R338 L339 Y340 | A324-A336 WeakPolarHBondContact O-CB 3.01Å; K327-A336 HydrophobicContact CB-CB 4.02Å; R328-A336 HydrophobicContact CB-CB 4.02Å; N332-A336 PolarHBondContact O-N 3.44Å; I333-A336 PolarHBondContact O-N 3.31Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 3.08Å; A336-L339 PolarHBondContact O-N 3.03Å; A336-Y340 HydrophobicContact CB-CE2 4.13Å; A336-Y340 WeakPolarHBondContact O-CD2 3.33Å; A336-Y340 PolarHBondContact O-N 3.14Å |
| 337 | V | 93.4 | Very high | 92.3 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | I333 E334 E335 Y340 R341 L357 V360 | I333-V337 WeakPolarHBondContact O-CG2 2.91Å; I333-V337 PolarHBondContact O-N 2.9Å; E334-V337 PolarHBondContact O-N 3.41Å; E335-V337 PolarHBondContact O-N 2.86Å; V337-Y340 PolarHBondContact O-N 3.25Å; V337-R341 WeakPolarHBondContact O-CB 3.21Å; V337-R341 WeakPolarHBondContact O-CG 3.39Å; V337-R341 PolarHBondContact O-N 2.9Å; V337-L357 HydrophobicContact CG1-CD1 4Å; V337-L357 HydrophobicContact CG2-CD1 4.43Å; V337-V360 HydrophobicContact CG2-CB 4.27Å; V337-V360 HydrophobicContact CG2-CG1 3.44Å; V337-V360 VanDerWaalsContact CG2-CG1 3.44Å |
| 338 | R | 95.2 | Very high | 92.3 | Very high | 160 Ų | 160 | 67 Ų | 67 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 177.6 | -174 | 177.8 | 70.4 | 171.2 | 7.8 | 111.6 | E334 E335 A336 R341 K342 | E334-R338 PolarHBondContact O-N 2.71Å; E335-R338 PolarHBondContact O-N 2.78Å; E335-R338 IonicContact OE1-CZ 3.81Å; E335-R338 VanDerWaalsContact OE1-CZ 3.3Å; E335-R338 IonicContact OE1-NE 3.3Å; E335-R338 PolarHBondContact OE1-NE 2.95Å; E335-R338 IonicContact OE1-NH2 3.64Å; E335-R338 PolarHBondContact OE1-NH2 3.19Å; E335-R338 IonicContact OE2-CZ 3.36Å; E335-R338 IonicContact OE2-NE 2.79Å; E335-R338 PolarHBondContact OE2-NE 3.23Å; E335-R338 IonicContact OE2-NH1 3.82Å; E335-R338 IonicContact OE2-NH2 3.14Å; E335-R338 PolarHBondContact OE2-NH2 3.22Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 3.08Å; R338-R341 PolarHBondContact O-N 3.09Å; R338-K342 WeakPolarHBondContact O-CB 3.19Å; R338-K342 PolarHBondContact O-N 3.09Å |
| 339 | L | 96.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 178.9 | -70.7 | 169.7 | 0 | 0 | 0 | 112.3 | L320 L323 A324 K327 E335 A336 R341 K342 A343 | L320-L339 HydrophobicContact CD2-CD2 3.96Å; L323-L339 HydrophobicContact CB-CD1 4.38Å; L323-L339 HydrophobicContact CD2-CD1 3.99Å; L323-L339 HydrophobicContact CD2-CD2 4.28Å; L323-L339 HydrophobicContact CG-CD1 3.8Å; A324-L339 HydrophobicContact CB-CB 3.61Å; A324-L339 HydrophobicContact CB-CD1 4.37Å; K327-L339 HydrophobicContact CG-CD1 3.92Å; E335-L339 HydrophobicContact CG-CD1 4.23Å; E335-L339 WeakPolarHBondContact O-CG 3.37Å; E335-L339 PolarHBondContact O-N 3.35Å; A336-L339 PolarHBondContact O-N 3.03Å; L339-R341 PolarHBondContact O-N 2.99Å; L339-K342 PolarHBondContact O-N 3.48Å; L339-A343 PolarHBondContact O-N 3.14Å |
| 340 | Y | 97 | Very high | 93 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.4 | -69.6 | -55.6 | 0 | 0 | 0 | 112.2 | N321 A324 N325 A336 V337 K342 A343 L344 N356 L357 V360 | N321-Y340 WeakPolarHBondContact OD1-CE1 3.12Å; A324-Y340 HydrophobicContact CB-CD1 3.5Å; A324-Y340 VanDerWaalsContact CB-CD1 3.5Å; A324-Y340 HydrophobicContact CB-CD2 3.96Å; A324-Y340 HydrophobicContact CB-CE1 3.34Å; A324-Y340 HydrophobicContact CB-CE2 3.82Å; A324-Y340 HydrophobicContact CB-CG 3.79Å; N325-Y340 WeakPolarHBondContact CA-OH 3.41Å; N325-Y340 PolarHBondContact N-OH 3.28Å; N325-Y340 WeakPolarHBondContact OD1-CE1 3.36Å; N325-Y340 PolarHBondContact OD1-OH 3.11Å; A336-Y340 HydrophobicContact CB-CE2 4.13Å; A336-Y340 WeakPolarHBondContact O-CD2 3.33Å; A336-Y340 PolarHBondContact O-N 3.14Å; V337-Y340 PolarHBondContact O-N 3.25Å; Y340-K342 VanDerWaalsContact C-N 3.3Å; Y340-K342 PolarHBondContact O-N 2.99Å; Y340-A343 WeakPolarHBondContact O-CB 3.39Å; Y340-A343 PolarHBondContact O-N 3.38Å; Y340-L344 WeakPolarHBondContact O-CG 3.32Å; Y340-L344 PolarHBondContact O-N 3.19Å; Y340-N356 HydrophobicContact CD1-CB 4.09Å; Y340-N356 HydrophobicContact CE1-CB 3.44Å; Y340-N356 VanDerWaalsContact CE1-CB 3.44Å; Y340-N356 HydrophobicContact CE2-CB 4.3Å; Y340-L357 HydrophobicContact CG-CB 4.35Å; Y340-V360 HydrophobicContact CE2-CG2 4.04Å |
| 341 | R | 96.2 | Very high | 93.4 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 176.8 | -75.8 | -180 | 173.9 | 179.5 | -3.7 | 111.5 | V337 R338 L339 L344 E345 L357 E369 | V337-R341 WeakPolarHBondContact O-CB 3.21Å; V337-R341 WeakPolarHBondContact O-CG 3.39Å; V337-R341 PolarHBondContact O-N 2.9Å; R338-R341 PolarHBondContact O-N 3.09Å; L339-R341 PolarHBondContact O-N 2.99Å; R341-L344 PolarHBondContact O-N 2.8Å; R341-E345 PolarHBondContact O-N 3.34Å; R341-L357 HydrophobicContact CG-CD1 4.49Å; R341-L357 HydrophobicContact CG-CD2 4.08Å; R341-E369 IonicContact CZ-OE1 3.58Å; R341-E369 IonicContact NH2-OE1 2.78Å; R341-E369 PolarHBondContact NH2-OE1 3.33Å |
| 342 | K | 95.5 | Very high | 94 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 174.9 | -165.5 | 172.8 | -178.5 | 179.8 | 0 | 112.2 | L320 R338 L339 Y340 L344 E345 V346 | L320-K342 HydrophobicContact CD1-CB 4.33Å; L320-K342 HydrophobicContact CD1-CD 4.47Å; L320-K342 HydrophobicContact CD1-CG 3.99Å; L320-K342 HydrophobicContact CD2-CD 4.15Å; L320-K342 HydrophobicContact CD2-CG 4.41Å; R338-K342 WeakPolarHBondContact O-CB 3.19Å; R338-K342 PolarHBondContact O-N 3.09Å; L339-K342 PolarHBondContact O-N 3.48Å; Y340-K342 VanDerWaalsContact C-N 3.3Å; Y340-K342 PolarHBondContact O-N 2.99Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.49Å; K342-E345 PolarHBondContact O-N 3.09Å; K342-V346 VanDerWaalsContact O-CG2 3.31Å; K342-V346 WeakPolarHBondContact O-CG2 3.43Å; K342-V346 PolarHBondContact O-N 2.95Å; K342-V346 VanDerWaalsContact O-N 3.11Å |
| 343 | A | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L320 N321 L339 Y340 V346 F347 A353 | L320-A343 HydrophobicContact CB-CB 3.69Å; L320-A343 HydrophobicContact CD1-CB 4.39Å; N321-A343 HydrophobicContact CB-CB 4.46Å; L339-A343 PolarHBondContact O-N 3.14Å; Y340-A343 WeakPolarHBondContact O-CB 3.39Å; Y340-A343 PolarHBondContact O-N 3.38Å; A343-V346 PolarHBondContact O-N 3.26Å; A343-F347 PolarHBondContact O-N 3.33Å; A343-A353 HydrophobicContact CB-CB 4.46Å |
| 344 | L | 96.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.6 | -27.7 | 178.5 | -69 | 171.1 | 0 | 0 | 0 | 113.7 | Y340 R341 K342 V346 F347 P348 F350 A353 H354 L357 | Y340-L344 WeakPolarHBondContact O-CG 3.32Å; Y340-L344 PolarHBondContact O-N 3.19Å; R341-L344 PolarHBondContact O-N 2.8Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.49Å; L344-V346 VanDerWaalsContact C-N 3.33Å; L344-F347 CarbonylContact O-C 3.56Å; L344-P348 VanDerWaalsContact O-CA 3.28Å; L344-P348 WeakPolarHBondContact O-CA 3.46Å; L344-P348 WeakPolarHBondContact O-CG 3.38Å; L344-F350 HydrophobicContact CD2-CB 4.15Å; L344-A353 HydrophobicContact CD2-CB 3.77Å; L344-A353 HydrophobicContact CG-CB 3.99Å; L344-H354 WeakPolarHBondContact CD1-ND1 3.36Å; L344-H354 HydrophobicContact CD2-CB 4.49Å; L344-L357 HydrophobicContact CD1-CD2 3.68Å |
| 345 | E | 95.5 | Very high | 95.3 | Very high | 157 Ų | 157 | 49.3 Ų | 49.3 | 73% | 0.734 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.2 | -39.7 | 170.4 | -175.5 | -179.9 | -173.1 | 0 | 0 | 111 | R341 K342 | R341-E345 PolarHBondContact O-N 3.34Å; K342-E345 PolarHBondContact O-N 3.09Å |
| 346 | V | 94.9 | Very high | 95.4 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.2 | -45.4 | 177.9 | 170 | 0 | 0 | 0 | 0 | 111.7 | T315 A317 L320 K342 A343 L344 | T315-V346 HydrophobicContact CG2-CG2 4.45Å; T315-V346 WeakPolarHBondContact O-CG1 3.48Å; A317-V346 HydrophobicContact CB-CG1 4.12Å; L320-V346 HydrophobicContact CD1-CG2 4.18Å; K342-V346 VanDerWaalsContact O-CG2 3.31Å; K342-V346 WeakPolarHBondContact O-CG2 3.43Å; K342-V346 PolarHBondContact O-N 2.95Å; K342-V346 VanDerWaalsContact O-N 3.11Å; A343-V346 PolarHBondContact O-N 3.26Å; L344-V346 VanDerWaalsContact C-N 3.33Å |
| 347 | F | 94.9 | Very high | 95.6 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 43% | 0.425 | 23% | 0.232 | S | C | . | . | trans | -134.6 | 91.7 | 179.9 | -176.6 | -136.3 | 0 | 0 | 0 | 110.8 | A317 A343 L344 E349 F350 | A317-F347 HydrophobicContact CB-CB 3.91Å; A343-F347 PolarHBondContact O-N 3.33Å; L344-F347 CarbonylContact O-C 3.56Å; F347-E349 VanDerWaalsContact C-N 3.27Å; F347-E349 HydrophobicContact CD2-CB 4.48Å; F347-E349 HydrophobicContact CE2-CB 3.74Å; F347-E349 HydrophobicContact CZ-CB 3.78Å; F347-E349 PolarHBondContact O-N 3.13Å; F347-F350 HydrophobicContact CD1-CB 3.53Å; F347-F350 HydrophobicContact CD1-CD1 4.25Å; F347-F350 AromaticContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CE1-CB 4.03Å; F347-F350 HydrophobicContact CE1-CG 4.38Å; F347-F350 HydrophobicContact CG-CB 4.29Å; F347-F350 WeakPolarHBondContact O-CB 3.31Å; F347-F350 PolarHBondContact O-N 3.48Å | ||
| 348 | P | 95.1 | Very high | 95.7 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.4 | -178.3 | -27.7 | 35.9 | 0 | 0 | 0 | 114.5 | L344 F350 H354 | L344-P348 VanDerWaalsContact O-CA 3.28Å; L344-P348 WeakPolarHBondContact O-CA 3.46Å; L344-P348 WeakPolarHBondContact O-CG 3.38Å; P348-F350 PolarHBondContact O-N 3.08Å; P348-F350 VanDerWaalsContact O-N 3.11Å; P348-H354 PolarHBondContact O-NE2 2.92Å; P348-H354 VanDerWaalsContact O-NE2 3.11Å |
| 349 | E | 94.8 | Very high | 95.6 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 25.6 | 179.9 | -60.1 | -73.5 | 115.6 | 0 | 0 | 112.6 | F347 A351 R379 I380 | F347-E349 VanDerWaalsContact C-N 3.27Å; F347-E349 HydrophobicContact CD2-CB 4.48Å; F347-E349 HydrophobicContact CE2-CB 3.74Å; F347-E349 HydrophobicContact CZ-CB 3.78Å; F347-E349 PolarHBondContact O-N 3.13Å; E349-A351 PolarHBondContact O-N 2.83Å; E349-R379 IonicContact OE1-CZ 2.66Å; E349-R379 IonicContact OE1-NH1 3.4Å; E349-R379 IonicContact OE1-NH2 2.69Å; E349-R379 PolarHBondContact OE1-NH2 3.02Å; E349-R379 IonicContact OE2-NH1 3.04Å; E349-R379 IonicContact OE2-NH2 3.42Å; E349-I380 HydrophobicContact CB-CG2 4.28Å; E349-I380 WeakPolarHBondContact O-CG2 3.46Å |
| 350 | F | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | trans | -89.3 | 84.3 | 179.8 | -158.5 | 174.4 | 0 | 0 | 0 | 112.3 | A317 D318 N321 L344 F347 P348 A352 A353 H354 | A317-F350 HydrophobicContact CB-CD1 4.23Å; A317-F350 HydrophobicContact CB-CE1 4.31Å; D318-F350 WeakPolarHBondContact OD1-CZ 3.26Å; N321-F350 HydrophobicContact CB-CD1 4.39Å; N321-F350 HydrophobicContact CB-CE1 3.57Å; N321-F350 HydrophobicContact CB-CZ 4.02Å; L344-F350 HydrophobicContact CD2-CB 4.15Å; F347-F350 HydrophobicContact CD1-CB 3.53Å; F347-F350 HydrophobicContact CD1-CD1 4.25Å; F347-F350 AromaticContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CE1-CB 4.03Å; F347-F350 HydrophobicContact CE1-CG 4.38Å; F347-F350 HydrophobicContact CG-CB 4.29Å; F347-F350 WeakPolarHBondContact O-CB 3.31Å; F347-F350 PolarHBondContact O-N 3.48Å; P348-F350 PolarHBondContact O-N 3.08Å; P348-F350 VanDerWaalsContact O-N 3.11Å; F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 HydrophobicContact CD2-CB 4.15Å; F350-A352 HydrophobicContact CE2-CB 3.83Å; F350-A352 PolarHBondContact O-N 3.3Å; F350-A353 HydrophobicContact CB-CB 4Å; F350-A353 HydrophobicContact CD1-CB 3.71Å; F350-A353 HydrophobicContact CD2-CB 4.44Å; F350-A353 HydrophobicContact CE1-CB 4.33Å; F350-A353 HydrophobicContact CG-CB 3.78Å; F350-A353 PolarHBondContact O-N 2.91Å; F350-A353 VanDerWaalsContact O-N 3.09Å; F350-H354 PolarHBondContact O-N 2.75Å; F350-H354 VanDerWaalsContact O-N 3.08Å | ||
| 351 | A | 95.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.9 | -40 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E349 H354 S355 A377 I380 F384 | E349-A351 PolarHBondContact O-N 2.83Å; A351-H354 PolarHBondContact O-N 2.78Å; A351-S355 PolarHBondContact O-N 2.97Å; A351-A377 HydrophobicContact CB-CB 4.41Å; A351-A377 WeakPolarHBondContact O-CB 3.22Å; A351-I380 HydrophobicContact CB-CB 4.21Å; A351-I380 HydrophobicContact CB-CG2 4.01Å; A351-F384 HydrophobicContact CB-CD1 4.4Å |
| 352 | A | 94.1 | Very high | 94.5 | Very high | 34 Ų | 34 | 36.9 Ų | 36.9 | 28% | 0.281 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F350 H354 S355 N356 | F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 HydrophobicContact CD2-CB 4.15Å; F350-A352 HydrophobicContact CE2-CB 3.83Å; F350-A352 PolarHBondContact O-N 3.3Å; A352-H354 VanDerWaalsContact C-N 3.34Å; A352-H354 PolarHBondContact O-N 3.49Å; A352-S355 PolarHBondContact O-N 3.36Å; A352-N356 WeakPolarHBondContact O-CB 3.31Å; A352-N356 PolarHBondContact O-N 3.22Å; A352-N356 PolarHBondContact O-ND2 3.43Å; A352-N356 VanDerWaalsContact O-ND2 3.17Å |
| 353 | A | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N321 A343 L344 F350 N356 L357 | N321-A353 HydrophobicContact CB-CB 4.45Å; N321-A353 WeakPolarHBondContact OD1-CA 3.23Å; A343-A353 HydrophobicContact CB-CB 4.46Å; L344-A353 HydrophobicContact CD2-CB 3.77Å; L344-A353 HydrophobicContact CG-CB 3.99Å; F350-A353 HydrophobicContact CB-CB 4Å; F350-A353 HydrophobicContact CD1-CB 3.71Å; F350-A353 HydrophobicContact CD2-CB 4.44Å; F350-A353 HydrophobicContact CE1-CB 4.33Å; F350-A353 HydrophobicContact CG-CB 3.78Å; F350-A353 PolarHBondContact O-N 2.91Å; F350-A353 VanDerWaalsContact O-N 3.09Å; A353-N356 PolarHBondContact O-N 3.03Å; A353-L357 VanDerWaalsContact O-CB 3.26Å; A353-L357 WeakPolarHBondContact O-CB 3.5Å; A353-L357 PolarHBondContact O-N 3.11Å |
| 354 | H | 97.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -48.2 | 171.9 | -85.6 | -53.8 | 0 | 0 | 0 | 112.4 | L344 P348 F350 A351 A352 L357 A358 H373 A377 | L344-H354 WeakPolarHBondContact CD1-ND1 3.36Å; L344-H354 HydrophobicContact CD2-CB 4.49Å; P348-H354 PolarHBondContact O-NE2 2.92Å; P348-H354 VanDerWaalsContact O-NE2 3.11Å; F350-H354 PolarHBondContact O-N 2.75Å; F350-H354 VanDerWaalsContact O-N 3.08Å; A351-H354 PolarHBondContact O-N 2.78Å; A352-H354 VanDerWaalsContact C-N 3.34Å; A352-H354 PolarHBondContact O-N 3.49Å; H354-L357 PolarHBondContact O-N 3.27Å; H354-A358 VanDerWaalsContact O-CB 3.32Å; H354-A358 WeakPolarHBondContact O-CB 3.29Å; H354-A358 PolarHBondContact O-N 2.86Å; H354-H373 AromaticContact CE1-ND1 3.5Å; H354-H373 PolarHBondContact CE1-ND1 3.3Å; H354-H373 AromaticContact ND1-CE1 3.79Å; H354-H373 AromaticContact ND1-CG 3.9Å; H354-H373 AromaticContact ND1-ND1 2.96Å; H354-H373 PolarHBondContact ND1-ND1 2.89Å; H354-A377 HydrophobicContact CB-CB 3.83Å |
| 355 | S | 96.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 179 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | A351 A352 A358 S359 | A351-S355 PolarHBondContact O-N 2.97Å; A352-S355 PolarHBondContact O-N 3.36Å; S355-A358 PolarHBondContact O-N 3.1Å; S355-S359 PolarHBondContact O-N 2.57Å |
| 356 | N | 95 | Very high | 91.9 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -44.1 | 178 | -69.9 | -28.8 | 0 | 0 | 0 | 111.9 | N321 N325 Y340 A352 A353 A358 S359 V360 | N321-N356 PolarHBondContact OD1-ND2 3.36Å; N325-N356 PolarHBondContact OD1-ND2 3.02Å; Y340-N356 HydrophobicContact CD1-CB 4.09Å; Y340-N356 HydrophobicContact CE1-CB 3.44Å; Y340-N356 VanDerWaalsContact CE1-CB 3.44Å; Y340-N356 HydrophobicContact CE2-CB 4.3Å; A352-N356 WeakPolarHBondContact O-CB 3.31Å; A352-N356 PolarHBondContact O-N 3.22Å; A352-N356 PolarHBondContact O-ND2 3.43Å; A352-N356 VanDerWaalsContact O-ND2 3.17Å; A353-N356 PolarHBondContact O-N 3.03Å; N356-A358 VanDerWaalsContact C-N 3.34Å; N356-A358 PolarHBondContact O-N 3.42Å; N356-S359 WeakPolarHBondContact O-CB 3.46Å; N356-S359 PolarHBondContact O-N 2.89Å; N356-V360 PolarHBondContact O-N 2.6Å; N356-V360 VanDerWaalsContact O-N 3.17Å |
| 357 | L | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 174.2 | 177.2 | 57.7 | 0 | 0 | 0 | 110.9 | V337 Y340 R341 L344 A353 H354 S359 V360 L361 | V337-L357 HydrophobicContact CG1-CD1 4Å; V337-L357 HydrophobicContact CG2-CD1 4.43Å; Y340-L357 HydrophobicContact CG-CB 4.35Å; R341-L357 HydrophobicContact CG-CD1 4.49Å; R341-L357 HydrophobicContact CG-CD2 4.08Å; L344-L357 HydrophobicContact CD1-CD2 3.68Å; A353-L357 VanDerWaalsContact O-CB 3.26Å; A353-L357 WeakPolarHBondContact O-CB 3.5Å; A353-L357 PolarHBondContact O-N 3.11Å; H354-L357 PolarHBondContact O-N 3.27Å; L357-S359 VanDerWaalsContact C-N 3.29Å; L357-S359 PolarHBondContact O-N 3.49Å; L357-V360 PolarHBondContact O-N 2.72Å; L357-L361 HydrophobicContact CD1-CD1 4.12Å; L357-L361 HydrophobicContact CD1-CG 4.09Å; L357-L361 HydrophobicContact CG-CD1 3.85Å; L357-L361 HydrophobicContact CG-CG 4.31Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.3Å; L357-L361 PolarHBondContact O-N 2.74Å |
| 358 | A | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H354 S355 N356 V360 L361 Q362 A370 H373 Y374 | H354-A358 VanDerWaalsContact O-CB 3.32Å; H354-A358 WeakPolarHBondContact O-CB 3.29Å; H354-A358 PolarHBondContact O-N 2.86Å; S355-A358 PolarHBondContact O-N 3.1Å; N356-A358 VanDerWaalsContact C-N 3.34Å; N356-A358 PolarHBondContact O-N 3.42Å; A358-V360 VanDerWaalsContact C-N 3.34Å; A358-V360 PolarHBondContact O-N 2.83Å; A358-L361 PolarHBondContact O-N 2.67Å; A358-Q362 WeakPolarHBondContact O-CB 3.46Å; A358-Q362 PolarHBondContact O-N 3.31Å; A358-A370 HydrophobicContact CB-CB 4.28Å; A358-A370 WeakPolarHBondContact CB-O 3.27Å; A358-A370 VanDerWaalsContact O-CB 3.32Å; A358-A370 WeakPolarHBondContact O-CB 3.26Å; A358-H373 HydrophobicContact CB-CB 3.82Å; A358-Y374 HydrophobicContact CB-CD1 3.76Å; A358-Y374 HydrophobicContact CB-CD2 3.73Å; A358-Y374 HydrophobicContact CB-CE1 3.52Å; A358-Y374 HydrophobicContact CB-CE2 3.51Å; A358-Y374 HydrophobicContact CB-CG 3.83Å |
| 359 | S | 92.4 | Very high | 91.5 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.8 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | S355 N356 L357 Q362 Q363 Y374 | S355-S359 PolarHBondContact O-N 2.57Å; N356-S359 WeakPolarHBondContact O-CB 3.46Å; N356-S359 PolarHBondContact O-N 2.89Å; L357-S359 VanDerWaalsContact C-N 3.29Å; L357-S359 PolarHBondContact O-N 3.49Å; S359-Q362 WeakPolarHBondContact O-CB 3.39Å; S359-Q362 PolarHBondContact O-N 2.85Å; S359-Q363 PolarHBondContact O-N 3.49Å; S359-Q363 VanDerWaalsContact O-N 3.1Å; S359-Y374 WeakPolarHBondContact CA-OH 3.34Å; S359-Y374 PolarHBondContact N-OH 3.22Å |
| 360 | V | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.7 | -39.1 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | R328 I333 V337 Y340 N356 L357 A358 Q362 Q363 Q364 | R328-V360 VanDerWaalsContact CD-CG2 3.5Å; R328-V360 HydrophobicContact CG-CG2 3.96Å; I333-V360 HydrophobicContact CG2-CG1 3.38Å; V337-V360 HydrophobicContact CG2-CB 4.27Å; V337-V360 HydrophobicContact CG2-CG1 3.44Å; V337-V360 VanDerWaalsContact CG2-CG1 3.44Å; Y340-V360 HydrophobicContact CE2-CG2 4.04Å; N356-V360 PolarHBondContact O-N 2.6Å; N356-V360 VanDerWaalsContact O-N 3.17Å; L357-V360 PolarHBondContact O-N 2.72Å; A358-V360 VanDerWaalsContact C-N 3.34Å; A358-V360 PolarHBondContact O-N 2.83Å; V360-Q362 VanDerWaalsContact C-N 3.3Å; V360-Q362 PolarHBondContact O-N 3.32Å; V360-Q363 WeakPolarHBondContact O-CB 3.46Å; V360-Q363 PolarHBondContact O-N 2.86Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.32Å |
| 361 | L | 90.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 175 | -70.7 | 170.2 | 0 | 0 | 0 | 111.7 | L357 A358 Q364 G365 K366 E369 A370 | L357-L361 HydrophobicContact CD1-CD1 4.12Å; L357-L361 HydrophobicContact CD1-CG 4.09Å; L357-L361 HydrophobicContact CG-CD1 3.85Å; L357-L361 HydrophobicContact CG-CG 4.31Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.3Å; L357-L361 PolarHBondContact O-N 2.74Å; A358-L361 PolarHBondContact O-N 2.67Å; L361-Q364 CarbonylContact O-C 3.16Å; L361-Q364 PolarHBondContact O-N 3.37Å; L361-G365 PolarHBondContact O-N 3.32Å; L361-K366 HydrophobicContact CB-CB 4.25Å; L361-K366 HydrophobicContact CD2-CB 4.2Å; L361-K366 HydrophobicContact CD2-CD 3.67Å; L361-K366 PolarHBondContact O-N 3.24Å; L361-E369 HydrophobicContact CD1-CB 4.07Å; L361-E369 HydrophobicContact CD1-CG 3.72Å; L361-A370 HydrophobicContact CB-CB 3.98Å |
| 362 | Q | 87.8 | Confident | 91.7 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 172.4 | -171 | -161.6 | -8 | 0 | 0 | 110.6 | A358 S359 V360 Q364 G365 L367 A370 T394 E397 | A358-Q362 WeakPolarHBondContact O-CB 3.46Å; A358-Q362 PolarHBondContact O-N 3.31Å; S359-Q362 WeakPolarHBondContact O-CB 3.39Å; S359-Q362 PolarHBondContact O-N 2.85Å; V360-Q362 VanDerWaalsContact C-N 3.3Å; V360-Q362 PolarHBondContact O-N 3.32Å; Q362-Q364 PolarHBondContact O-N 3.41Å; Q362-G365 WeakPolarHBondContact O-CA 3.49Å; Q362-G365 PolarHBondContact O-N 2.83Å; Q362-L367 HydrophobicContact CG-CD2 3.92Å; Q362-A370 HydrophobicContact CB-CB 4.31Å; Q362-T394 HydrophobicContact CG-CG2 4.47Å; Q362-E397 PolarHBondContact NE2-OE2 3.15Å |
| 363 | Q | 81.7 | Confident | 91.8 | Very high | 133 Ų | 133 | 38.7 Ų | 38.7 | 62% | 0.621 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -59.1 | -32.6 | 176.7 | -171.3 | -178.9 | 3.3 | 0 | 0 | 112.6 | S359 V360 G365 | S359-Q363 PolarHBondContact O-N 3.49Å; S359-Q363 VanDerWaalsContact O-N 3.1Å; V360-Q363 WeakPolarHBondContact O-CB 3.46Å; V360-Q363 PolarHBondContact O-N 2.86Å; Q363-G365 VanDerWaalsContact C-N 3.26Å; Q363-G365 PolarHBondContact O-N 3.21Å |
| 364 | Q | 80.2 | Confident | 92 | Very high | 51 Ų | 51 | 38.7 Ų | 38.7 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0.1 | 173.5 | -68 | -175.2 | -14 | 0 | 0 | 114 | I333 V360 L361 Q362 K366 | I333-Q364 HydrophobicContact CG2-CG 4.41Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.32Å; L361-Q364 CarbonylContact O-C 3.16Å; L361-Q364 PolarHBondContact O-N 3.37Å; Q362-Q364 PolarHBondContact O-N 3.41Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; Q364-K366 HydrophobicContact CB-CD 4.49Å; Q364-K366 HydrophobicContact CB-CG 4.47Å; Q364-K366 PolarHBondContact O-N 3.02Å |
| 365 | G | 78.7 | Confident | 91.9 | Very high | 47 Ų | 47 | 44 Ų | 44 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 10.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L361 Q362 Q363 L367 | L361-G365 PolarHBondContact O-N 3.32Å; Q362-G365 WeakPolarHBondContact O-CA 3.49Å; Q362-G365 PolarHBondContact O-N 2.83Å; Q363-G365 VanDerWaalsContact C-N 3.26Å; Q363-G365 PolarHBondContact O-N 3.21Å; G365-L367 PolarHBondContact O-N 3.45Å |
| 366 | K | 86.4 | Confident | 92 | Very high | 91 Ų | 91 | 46.9 Ų | 46.9 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | trans | -84.6 | 59.5 | 177.3 | -66 | 173.8 | -176.8 | 159.4 | 0 | 110.9 | L361 Q364 Q368 E369 A370 | L361-K366 HydrophobicContact CB-CB 4.25Å; L361-K366 HydrophobicContact CD2-CB 4.2Å; L361-K366 HydrophobicContact CD2-CD 3.67Å; L361-K366 PolarHBondContact O-N 3.24Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; Q364-K366 HydrophobicContact CB-CD 4.49Å; Q364-K366 HydrophobicContact CB-CG 4.47Å; Q364-K366 PolarHBondContact O-N 3.02Å; K366-Q368 PolarHBondContact O-N 2.89Å; K366-E369 HydrophobicContact CB-CB 4.39Å; K366-E369 PolarHBondContact O-N 3.43Å; K366-A370 PolarHBondContact O-N 2.66Å | ||
| 367 | L | 90.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -38.8 | -166.7 | -51.5 | -179.8 | 0 | 0 | 0 | 113.4 | Q362 G365 A370 L371 T394 E397 M398 | Q362-L367 HydrophobicContact CG-CD2 3.92Å; G365-L367 PolarHBondContact O-N 3.45Å; L367-A370 WeakPolarHBondContact O-CB 3.23Å; L367-A370 PolarHBondContact O-N 3.05Å; L367-L371 WeakPolarHBondContact O-CG 3.12Å; L367-L371 PolarHBondContact O-N 3.29Å; L367-T394 HydrophobicContact CB-CG2 4.03Å; L367-T394 HydrophobicContact CD2-CG2 4.23Å; L367-E397 HydrophobicContact CD1-CB 4.32Å; L367-E397 HydrophobicContact CD1-CG 3.91Å; L367-E397 HydrophobicContact CD2-CG 4.34Å; L367-M398 HydrophobicContact CB-CG 3.78Å; L367-M398 HydrophobicContact CB-SD 3.64Å; L367-M398 HydrophobicContact CD1-CG 3.53Å; L367-M398 HydrophobicContact CG-CG 4.27Å |
| 368 | Q | 92.5 | Very high | 92.1 | Very high | 137 Ų | 137 | 46.3 Ų | 46.3 | 64% | 0.64 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.1 | -40.6 | 179 | -67.1 | -67.2 | -10.9 | 0 | 0 | 112.7 | K366 A370 L371 M372 | K366-Q368 PolarHBondContact O-N 2.89Å; Q368-A370 VanDerWaalsContact C-N 3.35Å; Q368-L371 PolarHBondContact O-N 3.35Å; Q368-M372 PolarHBondContact O-N 3.28Å |
| 369 | E | 93.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 176.7 | -162.3 | -176.5 | 167.1 | 0 | 0 | 110.2 | R341 L361 K366 M372 H373 | R341-E369 IonicContact CZ-OE1 3.58Å; R341-E369 IonicContact NH2-OE1 2.78Å; R341-E369 PolarHBondContact NH2-OE1 3.33Å; L361-E369 HydrophobicContact CD1-CB 4.07Å; L361-E369 HydrophobicContact CD1-CG 3.72Å; K366-E369 HydrophobicContact CB-CB 4.39Å; K366-E369 PolarHBondContact O-N 3.43Å; E369-M372 PolarHBondContact O-N 3Å; E369-H373 PolarHBondContact O-CD2 3.07Å; E369-H373 PolarHBondContact O-N 2.91Å |
| 370 | A | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A358 L361 Q362 K366 L367 Q368 M372 H373 Y374 T394 | A358-A370 HydrophobicContact CB-CB 4.28Å; A358-A370 WeakPolarHBondContact CB-O 3.27Å; A358-A370 VanDerWaalsContact O-CB 3.32Å; A358-A370 WeakPolarHBondContact O-CB 3.26Å; L361-A370 HydrophobicContact CB-CB 3.98Å; Q362-A370 HydrophobicContact CB-CB 4.31Å; K366-A370 PolarHBondContact O-N 2.66Å; L367-A370 WeakPolarHBondContact O-CB 3.23Å; L367-A370 PolarHBondContact O-N 3.05Å; Q368-A370 VanDerWaalsContact C-N 3.35Å; A370-M372 VanDerWaalsContact C-N 3.31Å; A370-M372 PolarHBondContact O-N 3.03Å; A370-H373 PolarHBondContact O-N 3.09Å; A370-Y374 HydrophobicContact CB-CE2 4.37Å; A370-Y374 VanDerWaalsContact O-CD2 3.25Å; A370-Y374 WeakPolarHBondContact O-CD2 3.27Å; A370-Y374 PolarHBondContact O-N 2.96Å; A370-T394 HydrophobicContact CB-CG2 4.31Å |
| 371 | L | 96.7 | Very high | 92.7 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.4 | -40 | 176.8 | -74.3 | -176.9 | 0 | 0 | 0 | 113 | L367 Q368 H373 Y374 K375 M391 T394 L395 M398 | L367-L371 WeakPolarHBondContact O-CG 3.12Å; L367-L371 PolarHBondContact O-N 3.29Å; Q368-L371 PolarHBondContact O-N 3.35Å; L371-H373 VanDerWaalsContact C-N 3.35Å; L371-Y374 PolarHBondContact O-N 3.28Å; L371-K375 WeakPolarHBondContact O-CB 3.47Å; L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.25Å; L371-K375 PolarHBondContact O-N 3.49Å; L371-M391 HydrophobicContact CD2-CG 3.7Å; L371-T394 HydrophobicContact CD2-CG2 3.79Å; L371-T394 HydrophobicContact CG-CG2 3.88Å; L371-L395 HydrophobicContact CD1-CD2 3.74Å; L371-L395 HydrophobicContact CD2-CD2 3.69Å; L371-L395 HydrophobicContact CD2-CG 3.81Å; L371-L395 HydrophobicContact CG-CD2 4.38Å; L371-M398 HydrophobicContact CD1-CE 3.7Å; L371-M398 HydrophobicContact CD1-SD 3.42Å; L371-M398 WeakPolarHBondContact CD1-SD 3.49Å; L371-M398 HydrophobicContact CG-SD 4.07Å |
| 372 | M | 97 | Very high | 93 | Very high | 112 Ų | 112 | 58 Ų | 58 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60 | -47.2 | 177 | -175.5 | -172.6 | 73.5 | 0 | 0 | 110.8 | Q368 E369 A370 K375 E376 | Q368-M372 PolarHBondContact O-N 3.28Å; E369-M372 PolarHBondContact O-N 3Å; A370-M372 VanDerWaalsContact C-N 3.31Å; A370-M372 PolarHBondContact O-N 3.03Å; M372-K375 PolarHBondContact O-N 3.46Å; M372-E376 PolarHBondContact O-N 3.24Å |
| 373 | H | 97.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.2 | -34.9 | 179.1 | -76.9 | -57.8 | 0 | 0 | 0 | 113.5 | H354 A358 E369 A370 L371 E376 A377 | H354-H373 AromaticContact CE1-ND1 3.5Å; H354-H373 PolarHBondContact CE1-ND1 3.3Å; H354-H373 AromaticContact ND1-CE1 3.79Å; H354-H373 AromaticContact ND1-CG 3.9Å; H354-H373 AromaticContact ND1-ND1 2.96Å; H354-H373 PolarHBondContact ND1-ND1 2.89Å; A358-H373 HydrophobicContact CB-CB 3.82Å; E369-H373 PolarHBondContact O-CD2 3.07Å; E369-H373 PolarHBondContact O-N 2.91Å; A370-H373 PolarHBondContact O-N 3.09Å; L371-H373 VanDerWaalsContact C-N 3.35Å; H373-E376 PolarHBondContact O-N 3.37Å; H373-A377 PolarHBondContact O-N 3.32Å |
| 374 | Y | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 171.8 | -75.9 | -51.7 | 0 | 0 | 0 | 112.4 | A358 S359 A370 L371 E376 A377 I378 A387 N390 M391 T394 | A358-Y374 HydrophobicContact CB-CD1 3.76Å; A358-Y374 HydrophobicContact CB-CD2 3.73Å; A358-Y374 HydrophobicContact CB-CE1 3.52Å; A358-Y374 HydrophobicContact CB-CE2 3.51Å; A358-Y374 HydrophobicContact CB-CG 3.83Å; S359-Y374 WeakPolarHBondContact CA-OH 3.34Å; S359-Y374 PolarHBondContact N-OH 3.22Å; A370-Y374 HydrophobicContact CB-CE2 4.37Å; A370-Y374 VanDerWaalsContact O-CD2 3.25Å; A370-Y374 WeakPolarHBondContact O-CD2 3.27Å; A370-Y374 PolarHBondContact O-N 2.96Å; L371-Y374 PolarHBondContact O-N 3.28Å; Y374-E376 PolarHBondContact O-N 3Å; Y374-A377 PolarHBondContact O-N 3.44Å; Y374-I378 WeakPolarHBondContact O-CB 3.11Å; Y374-I378 WeakPolarHBondContact O-CD1 3.5Å; Y374-I378 VanDerWaalsContact O-CG1 3.25Å; Y374-I378 WeakPolarHBondContact O-CG1 3.31Å; Y374-I378 PolarHBondContact O-N 3.5Å; Y374-A387 HydrophobicContact CD1-CB 4.38Å; Y374-N390 HydrophobicContact CE1-CB 3.6Å; Y374-N390 HydrophobicContact CE2-CB 4.27Å; Y374-N390 VanDerWaalsContact CZ-CB 3.47Å; Y374-N390 WeakPolarHBondContact OH-CB 3.22Å; Y374-M391 HydrophobicContact CD2-CB 3.96Å; Y374-M391 HydrophobicContact CD2-CG 4.3Å; Y374-M391 HydrophobicContact CG-CB 3.87Å; Y374-M391 HydrophobicContact CG-CG 4.34Å; Y374-T394 WeakPolarHBondContact CE2-OG1 3.42Å |
| 375 | K | 97.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 55.2 Ų | 55.2 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.9 | -38.8 | 175.4 | -73.9 | 173.3 | -179.7 | 178.1 | 0 | 111.5 | L371 M372 I378 R379 M391 | L371-K375 WeakPolarHBondContact O-CB 3.47Å; L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.25Å; L371-K375 PolarHBondContact O-N 3.49Å; M372-K375 PolarHBondContact O-N 3.46Å; K375-I378 PolarHBondContact O-N 3.46Å; K375-R379 WeakPolarHBondContact O-CB 3.12Å; K375-R379 PolarHBondContact O-N 3.3Å; K375-M391 HydrophobicContact CG-SD 4.02Å |
| 376 | E | 97.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 177.4 | -161.3 | 60.2 | -164.7 | 0 | 0 | 112.2 | M372 H373 Y374 I378 R379 I380 | M372-E376 PolarHBondContact O-N 3.24Å; H373-E376 PolarHBondContact O-N 3.37Å; Y374-E376 PolarHBondContact O-N 3Å; E376-I378 PolarHBondContact O-N 3.33Å; E376-R379 WeakPolarHBondContact O-CB 3.37Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 VanDerWaalsContact O-N 3.1Å; E376-R379 IonicContact OE1-CZ 2.61Å; E376-R379 IonicContact OE1-NE 3.99Å; E376-R379 PolarHBondContact OE1-NE 2.83Å; E376-R379 IonicContact OE1-NH2 3.47Å; E376-R379 PolarHBondContact OE1-NH2 3.32Å; E376-R379 IonicContact OE2-NE 3.46Å; E376-R379 PolarHBondContact OE2-NE 2.93Å; E376-I380 HydrophobicContact CG-CD1 4.15Å; E376-I380 WeakPolarHBondContact O-CD1 3.47Å; E376-I380 VanDerWaalsContact O-CG1 3.28Å; E376-I380 WeakPolarHBondContact O-CG1 3.37Å; E376-I380 PolarHBondContact O-N 3.35Å |
| 377 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56 | -40 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A351 H354 H373 Y374 S381 A387 | A351-A377 HydrophobicContact CB-CB 4.41Å; A351-A377 WeakPolarHBondContact O-CB 3.22Å; H354-A377 HydrophobicContact CB-CB 3.83Å; H373-A377 PolarHBondContact O-N 3.32Å; Y374-A377 PolarHBondContact O-N 3.44Å; A377-S381 PolarHBondContact O-N 3.34Å; A377-A387 HydrophobicContact CB-CB 4.37Å |
| 378 | I | 97.2 | Very high | 96.1 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72 | -36.5 | 177.6 | -69.4 | 163.8 | 0 | 0 | 0 | 111.8 | Y374 K375 E376 I380 S381 P382 A387 Y388 M391 | Y374-I378 WeakPolarHBondContact O-CB 3.11Å; Y374-I378 WeakPolarHBondContact O-CD1 3.5Å; Y374-I378 VanDerWaalsContact O-CG1 3.25Å; Y374-I378 WeakPolarHBondContact O-CG1 3.31Å; Y374-I378 PolarHBondContact O-N 3.5Å; K375-I378 PolarHBondContact O-N 3.46Å; E376-I378 PolarHBondContact O-N 3.33Å; I378-I380 VanDerWaalsContact C-N 3.31Å; I378-S381 CarbonylContact O-C 3.51Å; I378-S381 VanDerWaalsContact O-C 3.26Å; I378-P382 VanDerWaalsContact O-CA 3.27Å; I378-P382 WeakPolarHBondContact O-CA 3.46Å; I378-P382 VanDerWaalsContact O-N 3.12Å; I378-A387 HydrophobicContact CD1-CB 4.45Å; I378-A387 HydrophobicContact CG1-CB 3.95Å; I378-Y388 HydrophobicContact CD1-CD1 3.88Å; I378-Y388 HydrophobicContact CD1-CD2 4.14Å; I378-Y388 HydrophobicContact CD1-CE1 3.9Å; I378-Y388 HydrophobicContact CD1-CE2 4.15Å; I378-Y388 HydrophobicContact CD1-CG 4.02Å; I378-Y388 HydrophobicContact CG1-CD2 4.14Å; I378-Y388 HydrophobicContact CG1-CE2 3.95Å; I378-Y388 HydrophobicContact CG2-CE1 4.19Å; I378-Y388 HydrophobicContact CG2-CE2 3.79Å; I378-Y388 VanDerWaalsContact CG2-CZ 3.47Å; I378-Y388 WeakPolarHBondContact CG2-OH 3.4Å; I378-M391 HydrophobicContact CD1-CE 3.6Å; I378-M391 HydrophobicContact CD1-SD 3.88Å |
| 379 | R | 97.6 | Very high | 96.3 | Very high | 132 Ų | 132 | 45.9 Ų | 45.9 | 50% | 0.498 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 174.9 | -172.8 | -167.2 | 66.6 | 69.1 | -4.6 | 110.7 | E349 K375 E376 | E349-R379 IonicContact OE1-CZ 2.66Å; E349-R379 IonicContact OE1-NH1 3.4Å; E349-R379 IonicContact OE1-NH2 2.69Å; E349-R379 PolarHBondContact OE1-NH2 3.02Å; E349-R379 IonicContact OE2-NH1 3.04Å; E349-R379 IonicContact OE2-NH2 3.42Å; K375-R379 WeakPolarHBondContact O-CB 3.12Å; K375-R379 PolarHBondContact O-N 3.3Å; E376-R379 WeakPolarHBondContact O-CB 3.37Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 VanDerWaalsContact O-N 3.1Å; E376-R379 IonicContact OE1-CZ 2.61Å; E376-R379 IonicContact OE1-NE 3.99Å; E376-R379 PolarHBondContact OE1-NE 2.83Å; E376-R379 IonicContact OE1-NH2 3.47Å; E376-R379 PolarHBondContact OE1-NH2 3.32Å; E376-R379 IonicContact OE2-NE 3.46Å; E376-R379 PolarHBondContact OE2-NE 2.93Å |
| 380 | I | 96.7 | Very high | 96.3 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 21% | 0.21 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.2 | -46.9 | 179.4 | -62.4 | 159.2 | 0 | 0 | 0 | 110.6 | E349 A351 E376 I378 | E349-I380 HydrophobicContact CB-CG2 4.28Å; E349-I380 WeakPolarHBondContact O-CG2 3.46Å; A351-I380 HydrophobicContact CB-CB 4.21Å; A351-I380 HydrophobicContact CB-CG2 4.01Å; E376-I380 HydrophobicContact CG-CD1 4.15Å; E376-I380 WeakPolarHBondContact O-CD1 3.47Å; E376-I380 VanDerWaalsContact O-CG1 3.28Å; E376-I380 WeakPolarHBondContact O-CG1 3.37Å; E376-I380 PolarHBondContact O-N 3.35Å; I378-I380 VanDerWaalsContact C-N 3.31Å |
| 381 | S | 95.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | trans | -129.2 | 88.5 | -178.4 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | A377 I378 T383 F384 | A377-S381 PolarHBondContact O-N 3.34Å; I378-S381 CarbonylContact O-C 3.51Å; I378-S381 VanDerWaalsContact O-C 3.26Å; S381-T383 PolarHBondContact O-N 3.39Å; S381-T383 VanDerWaalsContact O-N 3.09Å; S381-F384 WeakPolarHBondContact O-CB 3.2Å; S381-F384 PolarHBondContact O-N 2.88Å; S381-F384 VanDerWaalsContact O-N 3.08Å | ||
| 382 | P | 96.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 45.7 Ų | 45.7 | 44% | 0.442 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.6 | -177 | -24.7 | 35 | 0 | 0 | 0 | 115.1 | I378 I414 | I378-P382 VanDerWaalsContact O-CA 3.27Å; I378-P382 WeakPolarHBondContact O-CA 3.46Å; I378-P382 VanDerWaalsContact O-N 3.12Å; P382-I414 WeakPolarHBondContact O-CD1 3.41Å |
| 383 | T | 95.3 | Very high | 96.2 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 63% | 0.632 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | 8.7 | 178 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | S381 A385 I414 | S381-T383 PolarHBondContact O-N 3.39Å; S381-T383 VanDerWaalsContact O-N 3.09Å; T383-A385 PolarHBondContact O-N 3.05Å; T383-I414 VanDerWaalsContact O-CG2 3.23Å; T383-I414 WeakPolarHBondContact O-CG2 3.17Å |
| 384 | F | 94 | Very high | 96 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | trans | -82 | 85.5 | 179.4 | -165.3 | -170.1 | 0 | 0 | 0 | 111.9 | A351 S381 D386 A387 | A351-F384 HydrophobicContact CB-CD1 4.4Å; S381-F384 WeakPolarHBondContact O-CB 3.2Å; S381-F384 PolarHBondContact O-N 2.88Å; S381-F384 VanDerWaalsContact O-N 3.08Å; F384-D386 VanDerWaalsContact C-N 3.31Å; F384-D386 HydrophobicContact CD2-CB 4.17Å; F384-D386 HydrophobicContact CE2-CB 3.74Å; F384-D386 HydrophobicContact CZ-CB 4.4Å; F384-D386 PolarHBondContact O-N 3.32Å; F384-A387 HydrophobicContact CB-CB 4.26Å; F384-A387 HydrophobicContact CD1-CB 3.74Å; F384-A387 HydrophobicContact CE1-CB 4.28Å; F384-A387 HydrophobicContact CG-CB 3.99Å; F384-A387 WeakPolarHBondContact O-CB 3.33Å; F384-A387 PolarHBondContact O-N 3.15Å | ||
| 385 | A | 95.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -37.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | T383 A387 Y388 S389 A411 I414 N415 F418 | T383-A385 PolarHBondContact O-N 3.05Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 3.2Å; A385-Y388 WeakPolarHBondContact O-CB 3.39Å; A385-Y388 PolarHBondContact O-N 2.88Å; A385-S389 PolarHBondContact O-N 3.17Å; A385-A411 HydrophobicContact CB-CB 4.49Å; A385-I414 HydrophobicContact CB-CB 4.22Å; A385-I414 HydrophobicContact CB-CG2 3.98Å; A385-N415 HydrophobicContact CB-CB 4.12Å; A385-F418 HydrophobicContact CB-CD1 4.2Å |
| 386 | D | 92.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 39 Ų | 39 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 179.4 | -60.2 | -28.6 | 0 | 0 | 0 | 112.2 | F384 Y388 S389 N390 F418 | F384-D386 VanDerWaalsContact C-N 3.31Å; F384-D386 HydrophobicContact CD2-CB 4.17Å; F384-D386 HydrophobicContact CE2-CB 3.74Å; F384-D386 HydrophobicContact CZ-CB 4.4Å; F384-D386 PolarHBondContact O-N 3.32Å; D386-Y388 VanDerWaalsContact C-N 3.34Å; D386-Y388 PolarHBondContact O-N 2.87Å; D386-S389 PolarHBondContact O-N 3.21Å; D386-N390 WeakPolarHBondContact O-CB 3.42Å; D386-N390 VanDerWaalsContact O-CG 3.32Å; D386-N390 PolarHBondContact O-N 3.29Å; D386-N390 PolarHBondContact O-ND2 3.29Å; D386-F418 VanDerWaalsContact OD1-CE1 3.26Å; D386-F418 WeakPolarHBondContact OD1-CE1 3.4Å; D386-F418 WeakPolarHBondContact OD1-CZ 3.31Å |
| 387 | A | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y374 A377 I378 F384 A385 M391 | Y374-A387 HydrophobicContact CD1-CB 4.38Å; A377-A387 HydrophobicContact CB-CB 4.37Å; I378-A387 HydrophobicContact CD1-CB 4.45Å; I378-A387 HydrophobicContact CG1-CB 3.95Å; F384-A387 HydrophobicContact CB-CB 4.26Å; F384-A387 HydrophobicContact CD1-CB 3.74Å; F384-A387 HydrophobicContact CE1-CB 4.28Å; F384-A387 HydrophobicContact CG-CB 3.99Å; F384-A387 WeakPolarHBondContact O-CB 3.33Å; F384-A387 PolarHBondContact O-N 3.15Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 3.2Å; A387-M391 WeakPolarHBondContact O-CB 3.48Å; A387-M391 PolarHBondContact O-N 2.97Å |
| 388 | Y | 97.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 15% | 0.145 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 173.1 | -80 | -81.1 | 0 | 0 | 0 | 112 | I378 A385 D386 N390 M391 G392 C407 R410 I414 | I378-Y388 HydrophobicContact CD1-CD1 3.88Å; I378-Y388 HydrophobicContact CD1-CD2 4.14Å; I378-Y388 HydrophobicContact CD1-CE1 3.9Å; I378-Y388 HydrophobicContact CD1-CE2 4.15Å; I378-Y388 HydrophobicContact CD1-CG 4.02Å; I378-Y388 HydrophobicContact CG1-CD2 4.14Å; I378-Y388 HydrophobicContact CG1-CE2 3.95Å; I378-Y388 HydrophobicContact CG2-CE1 4.19Å; I378-Y388 HydrophobicContact CG2-CE2 3.79Å; I378-Y388 VanDerWaalsContact CG2-CZ 3.47Å; I378-Y388 WeakPolarHBondContact CG2-OH 3.4Å; A385-Y388 WeakPolarHBondContact O-CB 3.39Å; A385-Y388 PolarHBondContact O-N 2.88Å; D386-Y388 VanDerWaalsContact C-N 3.34Å; D386-Y388 PolarHBondContact O-N 2.87Å; Y388-N390 PolarHBondContact O-N 2.84Å; Y388-M391 HydrophobicContact CD1-CE 4.2Å; Y388-M391 HydrophobicContact CE1-CE 4.49Å; Y388-M391 PolarHBondContact O-N 3.16Å; Y388-G392 PolarHBondContact O-N 3.23Å; Y388-C407 WeakPolarHBondContact O-CB 3.48Å; Y388-R410 HydrophobicContact CD1-CB 3.95Å; Y388-R410 HydrophobicContact CD1-CG 3.81Å; Y388-R410 HydrophobicContact CD2-CG 4.18Å; Y388-R410 HydrophobicContact CE1-CB 4.04Å; Y388-R410 HydrophobicContact CE1-CG 3.51Å; Y388-R410 HydrophobicContact CE2-CG 3.91Å; Y388-R410 HydrophobicContact CG-CB 4.36Å; Y388-R410 HydrophobicContact CG-CG 4.12Å; Y388-I414 HydrophobicContact CD2-CD1 3.76Å; Y388-I414 HydrophobicContact CE2-CD1 3.68Å |
| 389 | S | 96.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 179.6 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | A385 D386 G392 N393 Y408 N424 | A385-S389 PolarHBondContact O-N 3.17Å; D386-S389 PolarHBondContact O-N 3.21Å; S389-G392 WeakPolarHBondContact O-CA 3.45Å; S389-G392 PolarHBondContact O-N 3.13Å; S389-N393 PolarHBondContact O-N 3.11Å; S389-N393 PolarHBondContact O-OD1 3.38Å; S389-Y408 WeakPolarHBondContact O-CE1 3.49Å; S389-N424 PolarHBondContact OG-ND2 3.3Å |
| 390 | N | 94.7 | Very high | 94 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.7 | -35.8 | 179.4 | -65.8 | -26 | 0 | 0 | 0 | 112.7 | Y374 D386 Y388 G392 N393 T394 | Y374-N390 HydrophobicContact CE1-CB 3.6Å; Y374-N390 HydrophobicContact CE2-CB 4.27Å; Y374-N390 VanDerWaalsContact CZ-CB 3.47Å; Y374-N390 WeakPolarHBondContact OH-CB 3.22Å; D386-N390 WeakPolarHBondContact O-CB 3.42Å; D386-N390 VanDerWaalsContact O-CG 3.32Å; D386-N390 PolarHBondContact O-N 3.29Å; D386-N390 PolarHBondContact O-ND2 3.29Å; Y388-N390 PolarHBondContact O-N 2.84Å; N390-G392 VanDerWaalsContact C-N 3.3Å; N390-G392 PolarHBondContact O-N 3.26Å; N390-N393 WeakPolarHBondContact O-CB 3.22Å; N390-N393 PolarHBondContact O-N 2.95Å; N390-T394 PolarHBondContact O-N 3.28Å; N390-T394 PolarHBondContact O-OG1 3.33Å |
| 391 | M | 97.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 169.9 | -170.5 | 168.9 | 72.7 | 0 | 0 | 111 | L371 Y374 K375 I378 A387 Y388 N393 T394 L395 C407 | L371-M391 HydrophobicContact CD2-CG 3.7Å; Y374-M391 HydrophobicContact CD2-CB 3.96Å; Y374-M391 HydrophobicContact CD2-CG 4.3Å; Y374-M391 HydrophobicContact CG-CB 3.87Å; Y374-M391 HydrophobicContact CG-CG 4.34Å; K375-M391 HydrophobicContact CG-SD 4.02Å; I378-M391 HydrophobicContact CD1-CE 3.6Å; I378-M391 HydrophobicContact CD1-SD 3.88Å; A387-M391 WeakPolarHBondContact O-CB 3.48Å; A387-M391 PolarHBondContact O-N 2.97Å; Y388-M391 HydrophobicContact CD1-CE 4.2Å; Y388-M391 HydrophobicContact CE1-CE 4.49Å; Y388-M391 PolarHBondContact O-N 3.16Å; M391-N393 VanDerWaalsContact C-N 3.31Å; M391-N393 PolarHBondContact O-N 3.16Å; M391-T394 WeakPolarHBondContact O-CB 3.34Å; M391-T394 PolarHBondContact O-N 2.87Å; M391-L395 HydrophobicContact CG-CD1 4.28Å; M391-L395 WeakPolarHBondContact O-CG 3.35Å; M391-L395 PolarHBondContact O-N 2.88Å; M391-C407 WeakPolarHBondContact CE-SG 3.41Å |
| 392 | G | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y388 S389 N390 T394 L395 K396 A404 Y408 | Y388-G392 PolarHBondContact O-N 3.23Å; S389-G392 WeakPolarHBondContact O-CA 3.45Å; S389-G392 PolarHBondContact O-N 3.13Å; N390-G392 VanDerWaalsContact C-N 3.3Å; N390-G392 PolarHBondContact O-N 3.26Å; G392-T394 PolarHBondContact O-N 3.23Å; G392-L395 PolarHBondContact O-N 2.94Å; G392-K396 WeakPolarHBondContact O-CB 3.39Å; G392-K396 PolarHBondContact O-N 2.85Å; G392-A404 WeakPolarHBondContact O-CB 3.38Å; G392-Y408 PolarHBondContact O-OH 2.97Å |
| 393 | N | 93.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.6 | -63.4 | -20.8 | 0 | 0 | 0 | 112 | S389 N390 M391 K396 E397 Y408 N424 | S389-N393 PolarHBondContact O-N 3.11Å; S389-N393 PolarHBondContact O-OD1 3.38Å; N390-N393 WeakPolarHBondContact O-CB 3.22Å; N390-N393 PolarHBondContact O-N 2.95Å; M391-N393 VanDerWaalsContact C-N 3.31Å; M391-N393 PolarHBondContact O-N 3.16Å; N393-K396 PolarHBondContact O-N 3.1Å; N393-E397 PolarHBondContact O-N 3.21Å; N393-Y408 WeakPolarHBondContact CA-OH 3.24Å; N393-Y408 PolarHBondContact N-OH 3.28Å; N393-Y408 WeakPolarHBondContact OD1-CE1 3.23Å; N393-Y408 PolarHBondContact OD1-OH 3.29Å; N393-N424 PolarHBondContact OD1-ND2 3.17Å |
| 394 | T | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | Q362 L367 A370 L371 Y374 N390 M391 G392 E397 M398 | Q362-T394 HydrophobicContact CG-CG2 4.47Å; L367-T394 HydrophobicContact CB-CG2 4.03Å; L367-T394 HydrophobicContact CD2-CG2 4.23Å; A370-T394 HydrophobicContact CB-CG2 4.31Å; L371-T394 HydrophobicContact CD2-CG2 3.79Å; L371-T394 HydrophobicContact CG-CG2 3.88Å; Y374-T394 WeakPolarHBondContact CE2-OG1 3.42Å; N390-T394 PolarHBondContact O-N 3.28Å; N390-T394 PolarHBondContact O-OG1 3.33Å; M391-T394 WeakPolarHBondContact O-CB 3.34Å; M391-T394 PolarHBondContact O-N 2.87Å; G392-T394 PolarHBondContact O-N 3.23Å; T394-E397 WeakPolarHBondContact O-CB 3.45Å; T394-E397 PolarHBondContact O-N 3.12Å; T394-M398 HydrophobicContact CG2-SD 4.3Å; T394-M398 WeakPolarHBondContact O-CG 3.37Å; T394-M398 PolarHBondContact O-N 3.03Å |
| 395 | L | 95 | Very high | 93.9 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.4 | -69.6 | 171.7 | 0 | 0 | 0 | 111.9 | L371 M391 G392 E397 M398 Q399 D400 G403 A404 C407 | L371-L395 HydrophobicContact CD1-CD2 3.74Å; L371-L395 HydrophobicContact CD2-CD2 3.69Å; L371-L395 HydrophobicContact CD2-CG 3.81Å; L371-L395 HydrophobicContact CG-CD2 4.38Å; M391-L395 HydrophobicContact CG-CD1 4.28Å; M391-L395 WeakPolarHBondContact O-CG 3.35Å; M391-L395 PolarHBondContact O-N 2.88Å; G392-L395 PolarHBondContact O-N 2.94Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 2.96Å; L395-M398 CarbonylContact O-C 3.22Å; L395-M398 WeakPolarHBondContact O-CA 3.36Å; L395-M398 PolarHBondContact O-N 3.49Å; L395-M398 VanDerWaalsContact O-N 3.15Å; L395-Q399 PolarHBondContact O-N 2.67Å; L395-Q399 VanDerWaalsContact O-N 3.08Å; L395-D400 HydrophobicContact CB-CB 4.22Å; L395-D400 HydrophobicContact CD2-CB 4.14Å; L395-D400 PolarHBondContact O-N 2.81Å; L395-G403 VanDerWaalsContact CD1-C 3.46Å; L395-A404 HydrophobicContact CB-CB 4.1Å; L395-C407 VanDerWaalsContact CD1-SG 3.54Å |
| 396 | K | 91.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 49.7 Ų | 49.7 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.4 | -176.9 | -174.5 | 178.8 | -171.9 | 0 | 111.4 | G392 N393 M398 Q399 A404 S427 I428 D431 | G392-K396 WeakPolarHBondContact O-CB 3.39Å; G392-K396 PolarHBondContact O-N 2.85Å; N393-K396 PolarHBondContact O-N 3.1Å; K396-M398 VanDerWaalsContact C-N 3.28Å; K396-M398 PolarHBondContact O-N 3.47Å; K396-Q399 WeakPolarHBondContact O-CA 3.47Å; K396-Q399 PolarHBondContact O-N 2.56Å; K396-A404 HydrophobicContact CB-CB 4.2Å; K396-S427 PolarHBondContact NZ-OG 2.68Å; K396-I428 HydrophobicContact CB-CD1 4.26Å; K396-I428 HydrophobicContact CD-CD1 3.8Å; K396-I428 HydrophobicContact CG-CD1 3.79Å; K396-D431 IonicContact NZ-OD2 2.82Å |
| 397 | E | 86.4 | Confident | 94.1 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -35.9 | 176.7 | -168.4 | 172.8 | 172.5 | 0 | 0 | 112.1 | Q362 L367 N393 T394 L395 Q399 | Q362-E397 PolarHBondContact NE2-OE2 3.15Å; L367-E397 HydrophobicContact CD1-CB 4.32Å; L367-E397 HydrophobicContact CD1-CG 3.91Å; L367-E397 HydrophobicContact CD2-CG 4.34Å; N393-E397 PolarHBondContact O-N 3.21Å; T394-E397 WeakPolarHBondContact O-CB 3.45Å; T394-E397 PolarHBondContact O-N 3.12Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 2.96Å; E397-Q399 PolarHBondContact O-N 3.26Å |
| 398 | M | 89.2 | Confident | 94.2 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 2.2 | 172 | -66.4 | 176.3 | 50.6 | 0 | 0 | 114.3 | L367 L371 T394 L395 K396 D400 | L367-M398 HydrophobicContact CB-CG 3.78Å; L367-M398 HydrophobicContact CB-SD 3.64Å; L367-M398 HydrophobicContact CD1-CG 3.53Å; L367-M398 HydrophobicContact CG-CG 4.27Å; L371-M398 HydrophobicContact CD1-CE 3.7Å; L371-M398 HydrophobicContact CD1-SD 3.42Å; L371-M398 WeakPolarHBondContact CD1-SD 3.49Å; L371-M398 HydrophobicContact CG-SD 4.07Å; T394-M398 HydrophobicContact CG2-SD 4.3Å; T394-M398 WeakPolarHBondContact O-CG 3.37Å; T394-M398 PolarHBondContact O-N 3.03Å; L395-M398 CarbonylContact O-C 3.22Å; L395-M398 WeakPolarHBondContact O-CA 3.36Å; L395-M398 PolarHBondContact O-N 3.49Å; L395-M398 VanDerWaalsContact O-N 3.15Å; K396-M398 VanDerWaalsContact C-N 3.28Å; K396-M398 PolarHBondContact O-N 3.47Å; M398-D400 PolarHBondContact O-N 2.92Å |
| 399 | Q | 88.2 | Confident | 94.1 | Very high | 135 Ų | 135 | 48.2 Ų | 48.2 | 63% | 0.631 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 16.8 | -175.4 | -49.8 | -63.7 | -27.4 | 0 | 0 | 115 | L395 K396 E397 V401 | L395-Q399 PolarHBondContact O-N 2.67Å; L395-Q399 VanDerWaalsContact O-N 3.08Å; K396-Q399 WeakPolarHBondContact O-CA 3.47Å; K396-Q399 PolarHBondContact O-N 2.56Å; E397-Q399 PolarHBondContact O-N 3.26Å; Q399-V401 VanDerWaalsContact C-N 3.31Å; Q399-V401 PolarHBondContact O-N 3.33Å |
| 400 | D | 92.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | trans | -82.6 | 78.7 | 168.9 | -176.9 | 4.9 | 0 | 0 | 0 | 110.2 | L395 M398 Q402 G403 A404 | L395-D400 HydrophobicContact CB-CB 4.22Å; L395-D400 HydrophobicContact CD2-CB 4.14Å; L395-D400 PolarHBondContact O-N 2.81Å; M398-D400 PolarHBondContact O-N 2.92Å; D400-Q402 VanDerWaalsContact C-N 3.31Å; D400-Q402 PolarHBondContact O-N 3.22Å; D400-Q402 PolarHBondContact OD1-N 3.11Å; D400-G403 PolarHBondContact O-N 3.22Å; D400-G403 PolarHBondContact OD1-N 3.49Å; D400-A404 WeakPolarHBondContact O-CB 3.21Å; D400-A404 PolarHBondContact O-N 3.21Å | ||
| 401 | V | 93 | Very high | 94.3 | Very high | 60 Ų | 60 | 50 Ų | 50 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -38.7 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | Q399 A404 L405 I428 | Q399-V401 VanDerWaalsContact C-N 3.31Å; Q399-V401 PolarHBondContact O-N 3.33Å; V401-A404 PolarHBondContact O-N 2.95Å; V401-L405 WeakPolarHBondContact O-CB 3.47Å; V401-L405 PolarHBondContact O-N 3.2Å; V401-I428 HydrophobicContact CG1-CG2 3.8Å |
| 402 | Q | 94.3 | Very high | 94.3 | Very high | 142 Ų | 142 | 50.4 Ų | 50.4 | 66% | 0.664 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.3 | -45.5 | -178.3 | -174.2 | 176.2 | 4 | 0 | 0 | 110.9 | D400 L405 Q406 | D400-Q402 VanDerWaalsContact C-N 3.31Å; D400-Q402 PolarHBondContact O-N 3.22Å; D400-Q402 PolarHBondContact OD1-N 3.11Å; Q402-L405 PolarHBondContact O-N 3.39Å; Q402-Q406 WeakPolarHBondContact O-CG 3.38Å; Q402-Q406 PolarHBondContact O-N 2.94Å; Q402-Q406 VanDerWaalsContact O-N 3.09Å |
| 403 | G | 95.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L395 D400 L405 Q406 C407 | L395-G403 VanDerWaalsContact CD1-C 3.46Å; D400-G403 PolarHBondContact O-N 3.22Å; D400-G403 PolarHBondContact OD1-N 3.49Å; G403-L405 PolarHBondContact O-N 2.97Å; G403-Q406 PolarHBondContact O-N 3.19Å; G403-C407 PolarHBondContact O-N 3.07Å; G403-C407 PolarHBondContact O-SG 3.38Å |
| 404 | A | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G392 L395 K396 D400 V401 Q406 C407 Y408 I428 | G392-A404 WeakPolarHBondContact O-CB 3.38Å; L395-A404 HydrophobicContact CB-CB 4.1Å; K396-A404 HydrophobicContact CB-CB 4.2Å; D400-A404 WeakPolarHBondContact O-CB 3.21Å; D400-A404 PolarHBondContact O-N 3.21Å; V401-A404 PolarHBondContact O-N 2.95Å; A404-Q406 PolarHBondContact O-N 2.93Å; A404-C407 WeakPolarHBondContact O-CB 3.37Å; A404-C407 PolarHBondContact O-N 2.86Å; A404-Y408 HydrophobicContact CB-CE2 3.95Å; A404-Y408 WeakPolarHBondContact O-CD2 3.33Å; A404-Y408 PolarHBondContact O-N 3.13Å; A404-I428 HydrophobicContact CB-CD1 4.15Å |
| 405 | L | 95.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 178 | -168.4 | 147.2 | 0 | 0 | 0 | 111.6 | V401 Q402 G403 C407 Y408 T409 L425 I428 | V401-L405 WeakPolarHBondContact O-CB 3.47Å; V401-L405 PolarHBondContact O-N 3.2Å; Q402-L405 PolarHBondContact O-N 3.39Å; G403-L405 PolarHBondContact O-N 2.97Å; L405-C407 VanDerWaalsContact C-N 3.3Å; L405-C407 PolarHBondContact O-N 3.04Å; L405-Y408 PolarHBondContact O-N 2.82Å; L405-T409 WeakPolarHBondContact O-CB 3.42Å; L405-T409 PolarHBondContact O-N 3.44Å; L405-T409 PolarHBondContact O-OG1 3.47Å; L405-L425 HydrophobicContact CG-CD1 4.07Å; L405-I428 HydrophobicContact CB-CG2 4.46Å; L405-I428 HydrophobicContact CD1-CG2 4.18Å |
| 406 | Q | 96.1 | Very high | 94.7 | Very high | 119 Ų | 119 | 63.6 Ų | 63.6 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.4 | -42.3 | 176.2 | -71.3 | 174.6 | -2.9 | 0 | 0 | 112.1 | Q402 G403 A404 R410 | Q402-Q406 WeakPolarHBondContact O-CG 3.38Å; Q402-Q406 PolarHBondContact O-N 2.94Å; Q402-Q406 VanDerWaalsContact O-N 3.09Å; G403-Q406 PolarHBondContact O-N 3.19Å; A404-Q406 PolarHBondContact O-N 2.93Å; Q406-R410 WeakPolarHBondContact O-CB 3.19Å; Q406-R410 PolarHBondContact O-N 3.31Å |
| 407 | C | 97.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 178.5 | -69 | 0 | 0 | 0 | 0 | 112.1 | Y388 M391 L395 G403 A404 L405 R410 A411 | Y388-C407 WeakPolarHBondContact O-CB 3.48Å; M391-C407 WeakPolarHBondContact CE-SG 3.41Å; L395-C407 VanDerWaalsContact CD1-SG 3.54Å; G403-C407 PolarHBondContact O-N 3.07Å; G403-C407 PolarHBondContact O-SG 3.38Å; A404-C407 WeakPolarHBondContact O-CB 3.37Å; A404-C407 PolarHBondContact O-N 2.86Å; L405-C407 VanDerWaalsContact C-N 3.3Å; L405-C407 PolarHBondContact O-N 3.04Å; C407-R410 PolarHBondContact O-N 3.14Å; C407-A411 PolarHBondContact O-N 3.04Å |
| 408 | Y | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 179.5 | -57.8 | -46.6 | 0 | 0 | 0 | 112.1 | S389 G392 N393 A404 L405 R410 A411 I412 N424 L425 I428 | S389-Y408 WeakPolarHBondContact O-CE1 3.49Å; G392-Y408 PolarHBondContact O-OH 2.97Å; N393-Y408 WeakPolarHBondContact CA-OH 3.24Å; N393-Y408 PolarHBondContact N-OH 3.28Å; N393-Y408 WeakPolarHBondContact OD1-CE1 3.23Å; N393-Y408 PolarHBondContact OD1-OH 3.29Å; A404-Y408 HydrophobicContact CB-CE2 3.95Å; A404-Y408 WeakPolarHBondContact O-CD2 3.33Å; A404-Y408 PolarHBondContact O-N 3.13Å; L405-Y408 PolarHBondContact O-N 2.82Å; Y408-R410 VanDerWaalsContact C-N 3.29Å; Y408-R410 PolarHBondContact O-N 2.79Å; Y408-A411 PolarHBondContact O-N 3.11Å; Y408-I412 WeakPolarHBondContact O-CG1 3.3Å; Y408-I412 PolarHBondContact O-N 3.21Å; Y408-N424 HydrophobicContact CD1-CB 3.84Å; Y408-N424 HydrophobicContact CD2-CB 4.38Å; Y408-N424 HydrophobicContact CE1-CB 3.42Å; Y408-N424 VanDerWaalsContact CE1-CB 3.42Å; Y408-N424 HydrophobicContact CE2-CB 4.03Å; Y408-N424 HydrophobicContact CG-CB 4.31Å; Y408-L425 HydrophobicContact CD2-CB 4.49Å; Y408-L425 HydrophobicContact CG-CB 4.48Å; Y408-I428 HydrophobicContact CD2-CG1 4.02Å; Y408-I428 HydrophobicContact CE2-CD1 4.28Å; Y408-I428 HydrophobicContact CE2-CG1 3.6Å |
| 409 | T | 95.8 | Very high | 95.7 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L405 I412 Q413 | L405-T409 WeakPolarHBondContact O-CB 3.42Å; L405-T409 PolarHBondContact O-N 3.44Å; L405-T409 PolarHBondContact O-OG1 3.47Å; T409-I412 PolarHBondContact O-N 3.39Å; T409-Q413 WeakPolarHBondContact O-CB 3.31Å; T409-Q413 PolarHBondContact O-N 2.99Å |
| 410 | R | 97.4 | Very high | 96 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 33% | 0.328 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 177.7 | -175.7 | 55.7 | -178.9 | 168.5 | 5.6 | 112.3 | Y388 Q406 C407 Y408 I412 Q413 I414 | Y388-R410 HydrophobicContact CD1-CB 3.95Å; Y388-R410 HydrophobicContact CD1-CG 3.81Å; Y388-R410 HydrophobicContact CD2-CG 4.18Å; Y388-R410 HydrophobicContact CE1-CB 4.04Å; Y388-R410 HydrophobicContact CE1-CG 3.51Å; Y388-R410 HydrophobicContact CE2-CG 3.91Å; Y388-R410 HydrophobicContact CG-CB 4.36Å; Y388-R410 HydrophobicContact CG-CG 4.12Å; Q406-R410 WeakPolarHBondContact O-CB 3.19Å; Q406-R410 PolarHBondContact O-N 3.31Å; C407-R410 PolarHBondContact O-N 3.14Å; Y408-R410 VanDerWaalsContact C-N 3.29Å; Y408-R410 PolarHBondContact O-N 2.79Å; R410-I412 VanDerWaalsContact C-N 3.33Å; R410-I412 PolarHBondContact O-N 3.17Å; R410-Q413 PolarHBondContact O-N 3.42Å; R410-I414 HydrophobicContact CG-CD1 4.06Å; R410-I414 WeakPolarHBondContact O-CG1 3.38Å; R410-I414 PolarHBondContact O-N 3.29Å |
| 411 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A385 C407 Y408 I414 N415 F418 A421 | A385-A411 HydrophobicContact CB-CB 4.49Å; C407-A411 PolarHBondContact O-N 3.04Å; Y408-A411 PolarHBondContact O-N 3.11Å; A411-I414 PolarHBondContact O-N 3.07Å; A411-N415 PolarHBondContact O-N 3.47Å; A411-F418 HydrophobicContact CB-CD1 4.42Å; A411-A421 HydrophobicContact CB-CB 4.05Å |
| 412 | I | 97.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.138 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 177 | -67 | 163.8 | 0 | 0 | 0 | 111.4 | Y408 T409 R410 I414 N415 P416 A421 L425 | Y408-I412 WeakPolarHBondContact O-CG1 3.3Å; Y408-I412 PolarHBondContact O-N 3.21Å; T409-I412 PolarHBondContact O-N 3.39Å; R410-I412 VanDerWaalsContact C-N 3.33Å; R410-I412 PolarHBondContact O-N 3.17Å; I412-I414 VanDerWaalsContact C-N 3.3Å; I412-I414 PolarHBondContact O-N 2.87Å; I412-N415 CarbonylContact O-C 3.58Å; I412-N415 PolarHBondContact O-N 2.96Å; I412-P416 VanDerWaalsContact O-CA 3.23Å; I412-P416 WeakPolarHBondContact O-CA 3.17Å; I412-P416 WeakPolarHBondContact O-CD 3.41Å; I412-P416 WeakPolarHBondContact O-CG 3.41Å; I412-A421 HydrophobicContact CD1-CB 4.49Å; I412-A421 HydrophobicContact CG1-CB 3.88Å; I412-L425 HydrophobicContact CD1-CB 4.33Å; I412-L425 HydrophobicContact CD1-CD2 3.64Å |
| 413 | Q | 97.3 | Very high | 96.5 | Very high | 133 Ų | 133 | 42.5 Ų | 42.5 | 62% | 0.621 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64 | -37.5 | 176.6 | -169.7 | -174.9 | 17.8 | 0 | 0 | 111.9 | T409 R410 | T409-Q413 WeakPolarHBondContact O-CB 3.31Å; T409-Q413 PolarHBondContact O-N 2.99Å; R410-Q413 PolarHBondContact O-N 3.42Å |
| 414 | I | 96.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 44 Ų | 44 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.2 | -47.7 | 177.3 | -66.5 | 164.5 | 0 | 0 | 0 | 110.5 | P382 T383 A385 Y388 R410 A411 I412 | P382-I414 WeakPolarHBondContact O-CD1 3.41Å; T383-I414 VanDerWaalsContact O-CG2 3.23Å; T383-I414 WeakPolarHBondContact O-CG2 3.17Å; A385-I414 HydrophobicContact CB-CB 4.22Å; A385-I414 HydrophobicContact CB-CG2 3.98Å; Y388-I414 HydrophobicContact CD2-CD1 3.76Å; Y388-I414 HydrophobicContact CE2-CD1 3.68Å; R410-I414 HydrophobicContact CG-CD1 4.06Å; R410-I414 WeakPolarHBondContact O-CG1 3.38Å; R410-I414 PolarHBondContact O-N 3.29Å; A411-I414 PolarHBondContact O-N 3.07Å; I412-I414 VanDerWaalsContact C-N 3.3Å; I412-I414 PolarHBondContact O-N 2.87Å |
| 415 | N | 95.8 | Very high | 96.6 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | trans | -132.1 | 93.9 | 178.4 | -178.3 | 5.7 | 0 | 0 | 0 | 110.8 | A385 A411 I412 A417 F418 | A385-N415 HydrophobicContact CB-CB 4.12Å; A411-N415 PolarHBondContact O-N 3.47Å; I412-N415 CarbonylContact O-C 3.58Å; I412-N415 PolarHBondContact O-N 2.96Å; N415-A417 PolarHBondContact O-N 3.49Å; N415-A417 VanDerWaalsContact O-N 3.14Å; N415-A417 WeakPolarHBondContact OD1-CB 3.38Å; N415-A417 PolarHBondContact OD1-N 3.44Å; N415-A417 VanDerWaalsContact OD1-N 3.11Å; N415-F418 HydrophobicContact CB-CB 4.22Å; N415-F418 VanDerWaalsContact O-CB 3.28Å; N415-F418 WeakPolarHBondContact O-CB 3.48Å; N415-F418 PolarHBondContact O-N 2.85Å; N415-F418 VanDerWaalsContact O-N 3.08Å | ||
| 416 | P | 96.8 | Very high | 96.6 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.9 | 179.4 | -26 | 35.2 | 0 | 0 | 0 | 114.4 | I412 F418 H422 | I412-P416 VanDerWaalsContact O-CA 3.23Å; I412-P416 WeakPolarHBondContact O-CA 3.17Å; I412-P416 WeakPolarHBondContact O-CD 3.41Å; I412-P416 WeakPolarHBondContact O-CG 3.41Å; P416-F418 VanDerWaalsContact C-N 3.27Å; P416-F418 PolarHBondContact O-N 2.8Å; P416-H422 PolarHBondContact O-NE2 3.25Å |
| 417 | A | 95.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 37 Ų | 37 | 50% | 0.504 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 4.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N415 A419 L448 | N415-A417 PolarHBondContact O-N 3.49Å; N415-A417 VanDerWaalsContact O-N 3.14Å; N415-A417 WeakPolarHBondContact OD1-CB 3.38Å; N415-A417 PolarHBondContact OD1-N 3.44Å; N415-A417 VanDerWaalsContact OD1-N 3.11Å; A417-A419 PolarHBondContact O-N 3.37Å; A417-L448 HydrophobicContact CB-CD2 4.24Å |
| 418 | F | 95.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 36.8 Ų | 36.8 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | trans | -79.5 | 90 | -178.3 | -168.1 | -169.1 | 0 | 0 | 0 | 112.3 | A385 D386 A411 N415 P416 D420 A421 H422 | A385-F418 HydrophobicContact CB-CD1 4.2Å; D386-F418 VanDerWaalsContact OD1-CE1 3.26Å; D386-F418 WeakPolarHBondContact OD1-CE1 3.4Å; D386-F418 WeakPolarHBondContact OD1-CZ 3.31Å; A411-F418 HydrophobicContact CB-CD1 4.42Å; N415-F418 HydrophobicContact CB-CB 4.22Å; N415-F418 VanDerWaalsContact O-CB 3.28Å; N415-F418 WeakPolarHBondContact O-CB 3.48Å; N415-F418 PolarHBondContact O-N 2.85Å; N415-F418 VanDerWaalsContact O-N 3.08Å; P416-F418 VanDerWaalsContact C-N 3.27Å; P416-F418 PolarHBondContact O-N 2.8Å; F418-D420 VanDerWaalsContact C-N 3.34Å; F418-D420 HydrophobicContact CD2-CB 4.27Å; F418-D420 HydrophobicContact CE2-CB 3.76Å; F418-D420 HydrophobicContact CZ-CB 4.33Å; F418-D420 PolarHBondContact O-N 3.03Å; F418-A421 HydrophobicContact CB-CB 4.25Å; F418-A421 HydrophobicContact CD1-CB 3.58Å; F418-A421 HydrophobicContact CE1-CB 4.1Å; F418-A421 HydrophobicContact CG-CB 3.93Å; F418-A421 PolarHBondContact O-N 3.01Å; F418-H422 PolarHBondContact O-CD2 3.42Å; F418-H422 PolarHBondContact O-N 2.85Å | ||
| 419 | A | 97.1 | Very high | 96.4 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | A417 A421 H422 S423 A445 L448 K449 F452 | A417-A419 PolarHBondContact O-N 3.37Å; A419-A421 VanDerWaalsContact C-N 3.33Å; A419-A421 PolarHBondContact O-N 3.45Å; A419-H422 PolarHBondContact O-N 3.43Å; A419-S423 PolarHBondContact O-N 3.02Å; A419-A445 WeakPolarHBondContact O-CB 3.49Å; A419-L448 HydrophobicContact CB-CB 3.93Å; A419-L448 HydrophobicContact CB-CD1 4.46Å; A419-K449 HydrophobicContact CB-CB 3.85Å; A419-F452 HydrophobicContact CB-CD1 4.44Å; A419-F452 HydrophobicContact CB-CE1 4.33Å |
| 420 | D | 94.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 36.8 Ų | 36.8 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -37.1 | -178.2 | -59.9 | -39.5 | 0 | 0 | 0 | 111.7 | F418 H422 S423 N424 F452 | F418-D420 VanDerWaalsContact C-N 3.34Å; F418-D420 HydrophobicContact CD2-CB 4.27Å; F418-D420 HydrophobicContact CE2-CB 3.76Å; F418-D420 HydrophobicContact CZ-CB 4.33Å; F418-D420 PolarHBondContact O-N 3.03Å; D420-H422 PolarHBondContact O-N 3.08Å; D420-S423 WeakPolarHBondContact O-CB 3.16Å; D420-S423 PolarHBondContact O-N 3.01Å; D420-N424 WeakPolarHBondContact O-CB 3.35Å; D420-N424 PolarHBondContact O-N 3.15Å; D420-N424 PolarHBondContact O-ND2 3.15Å; D420-F452 WeakPolarHBondContact OD1-CE1 3.38Å; D420-F452 WeakPolarHBondContact OD1-CZ 3.37Å |
| 421 | A | 96 | Very high | 96 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A411 I412 F418 A419 N424 L425 | A411-A421 HydrophobicContact CB-CB 4.05Å; I412-A421 HydrophobicContact CD1-CB 4.49Å; I412-A421 HydrophobicContact CG1-CB 3.88Å; F418-A421 HydrophobicContact CB-CB 4.25Å; F418-A421 HydrophobicContact CD1-CB 3.58Å; F418-A421 HydrophobicContact CE1-CB 4.1Å; F418-A421 HydrophobicContact CG-CB 3.93Å; F418-A421 PolarHBondContact O-N 3.01Å; A419-A421 VanDerWaalsContact C-N 3.33Å; A419-A421 PolarHBondContact O-N 3.45Å; A421-N424 PolarHBondContact O-N 3.38Å; A421-L425 WeakPolarHBondContact O-CB 3.1Å; A421-L425 PolarHBondContact O-N 3.04Å |
| 422 | H | 98.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.4 | -76.5 | -80.4 | 0 | 0 | 0 | 112 | P416 F418 A419 D420 L425 A426 A445 | P416-H422 PolarHBondContact O-NE2 3.25Å; F418-H422 PolarHBondContact O-CD2 3.42Å; F418-H422 PolarHBondContact O-N 2.85Å; A419-H422 PolarHBondContact O-N 3.43Å; D420-H422 PolarHBondContact O-N 3.08Å; H422-L425 PolarHBondContact O-N 2.74Å; H422-A426 VanDerWaalsContact O-CB 3.31Å; H422-A426 WeakPolarHBondContact O-CB 3.3Å; H422-A426 PolarHBondContact O-N 2.83Å; H422-A445 HydrophobicContact CB-CB 4.02Å |
| 423 | S | 97.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | A419 D420 A426 S427 Y442 | A419-S423 PolarHBondContact O-N 3.02Å; D420-S423 WeakPolarHBondContact O-CB 3.16Å; D420-S423 PolarHBondContact O-N 3.01Å; S423-A426 WeakPolarHBondContact O-CB 3.27Å; S423-A426 PolarHBondContact O-N 3.01Å; S423-S427 PolarHBondContact O-N 2.69Å; S423-Y442 WeakPolarHBondContact O-CE1 3.23Å |
| 424 | N | 95.2 | Very high | 95.3 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 178.7 | -66.8 | -24.5 | 0 | 0 | 0 | 112 | S389 N393 Y408 D420 A421 A426 S427 I428 | S389-N424 PolarHBondContact OG-ND2 3.3Å; N393-N424 PolarHBondContact OD1-ND2 3.17Å; Y408-N424 HydrophobicContact CD1-CB 3.84Å; Y408-N424 HydrophobicContact CD2-CB 4.38Å; Y408-N424 HydrophobicContact CE1-CB 3.42Å; Y408-N424 VanDerWaalsContact CE1-CB 3.42Å; Y408-N424 HydrophobicContact CE2-CB 4.03Å; Y408-N424 HydrophobicContact CG-CB 4.31Å; D420-N424 WeakPolarHBondContact O-CB 3.35Å; D420-N424 PolarHBondContact O-N 3.15Å; D420-N424 PolarHBondContact O-ND2 3.15Å; A421-N424 PolarHBondContact O-N 3.38Å; N424-A426 VanDerWaalsContact C-N 3.33Å; N424-A426 PolarHBondContact O-N 2.88Å; N424-S427 WeakPolarHBondContact O-CB 3.41Å; N424-S427 PolarHBondContact O-N 3.2Å; N424-I428 PolarHBondContact O-N 3.22Å; N424-I428 VanDerWaalsContact O-N 3.16Å |
| 425 | L | 96.9 | Very high | 95.4 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 172.6 | -179.8 | 61 | 0 | 0 | 0 | 111.4 | L405 Y408 I412 A421 H422 S427 I428 H429 | L405-L425 HydrophobicContact CG-CD1 4.07Å; Y408-L425 HydrophobicContact CD2-CB 4.49Å; Y408-L425 HydrophobicContact CG-CB 4.48Å; I412-L425 HydrophobicContact CD1-CB 4.33Å; I412-L425 HydrophobicContact CD1-CD2 3.64Å; A421-L425 WeakPolarHBondContact O-CB 3.1Å; A421-L425 PolarHBondContact O-N 3.04Å; H422-L425 PolarHBondContact O-N 2.74Å; L425-S427 VanDerWaalsContact C-N 3.27Å; L425-S427 PolarHBondContact O-N 3.45Å; L425-I428 WeakPolarHBondContact O-CB 3.45Å; L425-I428 PolarHBondContact O-N 3.21Å; L425-I428 VanDerWaalsContact O-N 3.1Å; L425-H429 PolarHBondContact O-CD2 3.31Å; L425-H429 PolarHBondContact O-N 2.94Å |
| 426 | A | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | H422 S423 N424 I428 H429 K430 A438 Y442 | H422-A426 VanDerWaalsContact O-CB 3.31Å; H422-A426 WeakPolarHBondContact O-CB 3.3Å; H422-A426 PolarHBondContact O-N 2.83Å; S423-A426 WeakPolarHBondContact O-CB 3.27Å; S423-A426 PolarHBondContact O-N 3.01Å; N424-A426 VanDerWaalsContact C-N 3.33Å; N424-A426 PolarHBondContact O-N 2.88Å; A426-I428 VanDerWaalsContact C-N 3.34Å; A426-I428 PolarHBondContact O-N 2.99Å; A426-H429 PolarHBondContact O-N 3.1Å; A426-K430 WeakPolarHBondContact O-CB 3.11Å; A426-K430 PolarHBondContact O-N 3.45Å; A426-A438 HydrophobicContact CB-CB 4.45Å; A426-A438 WeakPolarHBondContact CB-O 3.44Å; A426-A438 VanDerWaalsContact O-CB 3.29Å; A426-A438 WeakPolarHBondContact O-CB 3.45Å; A426-Y442 HydrophobicContact CB-CD1 3.64Å; A426-Y442 HydrophobicContact CB-CD2 3.58Å; A426-Y442 HydrophobicContact CB-CE1 3.53Å; A426-Y442 HydrophobicContact CB-CE2 3.45Å; A426-Y442 VanDerWaalsContact CB-CE2 3.45Å; A426-Y442 HydrophobicContact CB-CG 3.64Å; A426-Y442 VanDerWaalsContact CB-CZ 3.41Å |
| 427 | S | 95 | Very high | 95.5 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 174 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | K396 S423 N424 L425 K430 D431 Y442 | K396-S427 PolarHBondContact NZ-OG 2.68Å; S423-S427 PolarHBondContact O-N 2.69Å; N424-S427 WeakPolarHBondContact O-CB 3.41Å; N424-S427 PolarHBondContact O-N 3.2Å; L425-S427 VanDerWaalsContact C-N 3.27Å; L425-S427 PolarHBondContact O-N 3.45Å; S427-K430 PolarHBondContact O-N 2.85Å; S427-D431 WeakPolarHBondContact O-CB 3.38Å; S427-D431 PolarHBondContact O-N 2.84Å; S427-Y442 VanDerWaalsContact CA-OH 3.27Å; S427-Y442 WeakPolarHBondContact CA-OH 3.41Å; S427-Y442 PolarHBondContact N-OH 3.46Å |
| 428 | I | 94.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 175.4 | -66 | -60.8 | 0 | 0 | 0 | 111.2 | K396 V401 A404 L405 Y408 N424 L425 A426 K430 D431 S432 | K396-I428 HydrophobicContact CB-CD1 4.26Å; K396-I428 HydrophobicContact CD-CD1 3.8Å; K396-I428 HydrophobicContact CG-CD1 3.79Å; V401-I428 HydrophobicContact CG1-CG2 3.8Å; A404-I428 HydrophobicContact CB-CD1 4.15Å; L405-I428 HydrophobicContact CB-CG2 4.46Å; L405-I428 HydrophobicContact CD1-CG2 4.18Å; Y408-I428 HydrophobicContact CD2-CG1 4.02Å; Y408-I428 HydrophobicContact CE2-CD1 4.28Å; Y408-I428 HydrophobicContact CE2-CG1 3.6Å; N424-I428 PolarHBondContact O-N 3.22Å; N424-I428 VanDerWaalsContact O-N 3.16Å; L425-I428 WeakPolarHBondContact O-CB 3.45Å; L425-I428 PolarHBondContact O-N 3.21Å; L425-I428 VanDerWaalsContact O-N 3.1Å; A426-I428 VanDerWaalsContact C-N 3.34Å; A426-I428 PolarHBondContact O-N 2.99Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.23Å; I428-D431 PolarHBondContact O-N 3.21Å; I428-S432 WeakPolarHBondContact O-CB 3.35Å; I428-S432 PolarHBondContact O-N 3.05Å; I428-S432 PolarHBondContact O-OG 3.12Å |
| 429 | H | 95.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 32 Ų | 32 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 175.2 | -73.1 | -46 | 0 | 0 | 0 | 111.9 | L425 A426 D431 S432 G433 N434 E437 A438 | L425-H429 PolarHBondContact O-CD2 3.31Å; L425-H429 PolarHBondContact O-N 2.94Å; A426-H429 PolarHBondContact O-N 3.1Å; H429-D431 PolarHBondContact O-N 3.46Å; H429-S432 CarbonylContact O-C 3.44Å; H429-S432 PolarHBondContact O-N 2.76Å; H429-G433 PolarHBondContact O-N 3.15Å; H429-G433 VanDerWaalsContact O-N 3.15Å; H429-N434 HydrophobicContact CB-CB 4.35Å; H429-N434 PolarHBondContact O-N 3.27Å; H429-E437 HydrophobicContact CB-CB 4.41Å; H429-A438 HydrophobicContact CB-CB 3.92Å |
| 430 | K | 95.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -48.8 | 175.2 | 176.7 | -172.3 | 159.3 | -71.8 | 0 | 111.5 | A426 S427 I428 S432 G433 I435 A438 H461 | A426-K430 WeakPolarHBondContact O-CB 3.11Å; A426-K430 PolarHBondContact O-N 3.45Å; S427-K430 PolarHBondContact O-N 2.85Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.23Å; K430-S432 PolarHBondContact O-N 2.94Å; K430-G433 PolarHBondContact O-N 3.26Å; K430-I435 HydrophobicContact CG-CD1 4.4Å; K430-A438 HydrophobicContact CB-CB 4.03Å; K430-H461 WeakPolarHBondContact CE-ND1 3.39Å |
| 431 | D | 89.9 | Confident | 96 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 40% | 0.401 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.5 | -21.2 | -177.6 | -64.2 | -19.6 | 0 | 0 | 0 | 112.3 | K396 S427 I428 H429 | K396-D431 IonicContact NZ-OD2 2.82Å; S427-D431 WeakPolarHBondContact O-CB 3.38Å; S427-D431 PolarHBondContact O-N 2.84Å; I428-D431 PolarHBondContact O-N 3.21Å; H429-D431 PolarHBondContact O-N 3.46Å |
| 432 | S | 91 | Very high | 96.1 | Very high | 76 Ų | 76 | 32.2 Ų | 32.2 | 53% | 0.531 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -1.7 | 173.2 | -51 | 0 | 0 | 0 | 0 | 113.2 | I428 H429 K430 N434 | I428-S432 WeakPolarHBondContact O-CB 3.35Å; I428-S432 PolarHBondContact O-N 3.05Å; I428-S432 PolarHBondContact O-OG 3.12Å; H429-S432 CarbonylContact O-C 3.44Å; H429-S432 PolarHBondContact O-N 2.76Å; K430-S432 PolarHBondContact O-N 2.94Å; S432-N434 VanDerWaalsContact C-N 3.29Å; S432-N434 PolarHBondContact O-N 3.07Å |
| 433 | G | 91.9 | Very high | 96.1 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 56% | 0.557 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H429 K430 I435 | H429-G433 PolarHBondContact O-N 3.15Å; H429-G433 VanDerWaalsContact O-N 3.15Å; K430-G433 PolarHBondContact O-N 3.26Å; G433-I435 VanDerWaalsContact C-N 3.25Å; G433-I435 PolarHBondContact O-N 2.93Å |
| 434 | N | 95.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 40.2 Ų | 40.2 | 32% | 0.316 | 23% | 0.233 | S | C | . | . | trans | -84.4 | 67.9 | 176.7 | -157.2 | 14.3 | 0 | 0 | 0 | 111.5 | H429 S432 E437 A438 | H429-N434 HydrophobicContact CB-CB 4.35Å; H429-N434 PolarHBondContact O-N 3.27Å; S432-N434 VanDerWaalsContact C-N 3.29Å; S432-N434 PolarHBondContact O-N 3.07Å; N434-E437 VanDerWaalsContact CG-CD 3.41Å; N434-E437 VanDerWaalsContact CG-OE2 3.23Å; N434-E437 WeakPolarHBondContact ND2-CG 3.42Å; N434-E437 PolarHBondContact ND2-OE1 3.18Å; N434-E437 PolarHBondContact ND2-OE2 3.17Å; N434-E437 VanDerWaalsContact OD1-CD 3.3Å; N434-E437 PolarHBondContact OD1-OE2 3.01Å; N434-A438 PolarHBondContact O-N 3.43Å | ||
| 435 | I | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | -170 | -47.4 | -56.5 | 0 | 0 | 0 | 114.1 | K430 G433 E437 A438 I439 C462 I465 V466 | K430-I435 HydrophobicContact CG-CD1 4.4Å; G433-I435 VanDerWaalsContact C-N 3.25Å; G433-I435 PolarHBondContact O-N 2.93Å; I435-E437 VanDerWaalsContact C-N 3.34Å; I435-E437 PolarHBondContact O-N 3.24Å; I435-A438 WeakPolarHBondContact O-CB 3.49Å; I435-A438 PolarHBondContact O-N 2.86Å; I435-I439 HydrophobicContact CG2-CD1 3.95Å; I435-I439 HydrophobicContact CG2-CG1 4.3Å; I435-I439 WeakPolarHBondContact O-CG1 3.33Å; I435-I439 PolarHBondContact O-N 3.31Å; I435-C462 HydrophobicContact CG2-CB 3.79Å; I435-C462 WeakPolarHBondContact CG2-O 3.27Å; I435-I465 HydrophobicContact CD1-CD1 3.99Å; I435-I465 HydrophobicContact CD1-CG2 4.26Å; I435-I465 HydrophobicContact CG1-CG2 3.91Å; I435-V466 HydrophobicContact CB-CG1 3.95Å; I435-V466 HydrophobicContact CG2-CG1 3.61Å |
| 436 | P | 97.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60 | -41.7 | 179.5 | -23 | 34.4 | 0 | 0 | 0 | 113.1 | I439 A440 V871 | P436-I439 WeakPolarHBondContact O-CB 3.42Å; P436-I439 PolarHBondContact O-N 2.96Å; P436-A440 PolarHBondContact O-N 3.3Å; P436-V871 HydrophobicContact CG-CG1 4.34Å |
| 437 | E | 97 | Very high | 96.3 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 177.9 | -77.7 | 82.3 | 148.3 | 0 | 0 | 110.9 | H429 N434 I435 I439 A440 S441 | H429-E437 HydrophobicContact CB-CB 4.41Å; N434-E437 VanDerWaalsContact CG-CD 3.41Å; N434-E437 VanDerWaalsContact CG-OE2 3.23Å; N434-E437 WeakPolarHBondContact ND2-CG 3.42Å; N434-E437 PolarHBondContact ND2-OE1 3.18Å; N434-E437 PolarHBondContact ND2-OE2 3.17Å; N434-E437 VanDerWaalsContact OD1-CD 3.3Å; N434-E437 PolarHBondContact OD1-OE2 3.01Å; I435-E437 VanDerWaalsContact C-N 3.34Å; I435-E437 PolarHBondContact O-N 3.24Å; E437-I439 VanDerWaalsContact C-N 3.33Å; E437-I439 PolarHBondContact O-N 3.41Å; E437-A440 PolarHBondContact O-N 3.3Å; E437-S441 WeakPolarHBondContact O-CB 3.38Å; E437-S441 PolarHBondContact O-N 3Å; E437-S441 PolarHBondContact O-OG 2.92Å |
| 438 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A426 H429 K430 N434 I435 A440 S441 Y442 | A426-A438 HydrophobicContact CB-CB 4.45Å; A426-A438 WeakPolarHBondContact CB-O 3.44Å; A426-A438 VanDerWaalsContact O-CB 3.29Å; A426-A438 WeakPolarHBondContact O-CB 3.45Å; H429-A438 HydrophobicContact CB-CB 3.92Å; K430-A438 HydrophobicContact CB-CB 4.03Å; N434-A438 PolarHBondContact O-N 3.43Å; I435-A438 WeakPolarHBondContact O-CB 3.49Å; I435-A438 PolarHBondContact O-N 2.86Å; A438-A440 PolarHBondContact O-N 3.21Å; A438-S441 PolarHBondContact O-N 3.43Å; A438-Y442 HydrophobicContact CB-CD2 4.49Å; A438-Y442 HydrophobicContact CB-CE2 4.31Å; A438-Y442 WeakPolarHBondContact O-CD2 3.48Å; A438-Y442 PolarHBondContact O-N 3.15Å |
| 439 | I | 98.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 176.5 | -70.9 | 165.5 | 0 | 0 | 0 | 110.7 | I435 P436 E437 Y442 R443 L459 C462 L463 V466 | I435-I439 HydrophobicContact CG2-CD1 3.95Å; I435-I439 HydrophobicContact CG2-CG1 4.3Å; I435-I439 WeakPolarHBondContact O-CG1 3.33Å; I435-I439 PolarHBondContact O-N 3.31Å; P436-I439 WeakPolarHBondContact O-CB 3.42Å; P436-I439 PolarHBondContact O-N 2.96Å; E437-I439 VanDerWaalsContact C-N 3.33Å; E437-I439 PolarHBondContact O-N 3.41Å; I439-Y442 PolarHBondContact O-N 2.87Å; I439-R443 HydrophobicContact CG2-CG 4.48Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 VanDerWaalsContact O-CG 3.3Å; I439-R443 WeakPolarHBondContact O-CG 3.23Å; I439-R443 PolarHBondContact O-N 3.37Å; I439-L459 HydrophobicContact CB-CD1 4.15Å; I439-L459 HydrophobicContact CG1-CD1 4.09Å; I439-L459 HydrophobicContact CG2-CD1 3.9Å; I439-C462 HydrophobicContact CD1-CB 4.27Å; I439-C462 HydrophobicContact CG1-CB 3.61Å; I439-L463 HydrophobicContact CD1-CD2 3.86Å; I439-L463 HydrophobicContact CG1-CD2 4.17Å; I439-L463 HydrophobicContact CG2-CD2 4.16Å; I439-V466 HydrophobicContact CD1-CG2 3.88Å |
| 440 | A | 98 | Very high | 96.6 | Very high | 54 Ų | 54 | 58 Ų | 58 | 45% | 0.446 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P436 E437 A438 R443 T444 | P436-A440 PolarHBondContact O-N 3.3Å; E437-A440 PolarHBondContact O-N 3.3Å; A438-A440 PolarHBondContact O-N 3.21Å; A440-R443 PolarHBondContact O-N 3.29Å; A440-T444 PolarHBondContact O-N 3.16Å; A440-T444 PolarHBondContact O-OG1 2.76Å |
| 441 | S | 98 | Very high | 96.5 | Very high | 18 Ų | 18 | 61.5 Ų | 61.5 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 178.1 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | E437 A438 R443 T444 A445 | E437-S441 WeakPolarHBondContact O-CB 3.38Å; E437-S441 PolarHBondContact O-N 3Å; E437-S441 PolarHBondContact O-OG 2.92Å; A438-S441 PolarHBondContact O-N 3.43Å; S441-R443 PolarHBondContact O-N 3.39Å; S441-T444 WeakPolarHBondContact O-CB 3.46Å; S441-T444 PolarHBondContact O-N 2.92Å; S441-A445 PolarHBondContact O-N 2.69Å |
| 442 | Y | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 174.5 | -73.6 | -56 | 0 | 0 | 0 | 112.8 | S423 A426 S427 A438 I439 T444 A445 L446 A455 N458 L459 | S423-Y442 WeakPolarHBondContact O-CE1 3.23Å; A426-Y442 HydrophobicContact CB-CD1 3.64Å; A426-Y442 HydrophobicContact CB-CD2 3.58Å; A426-Y442 HydrophobicContact CB-CE1 3.53Å; A426-Y442 HydrophobicContact CB-CE2 3.45Å; A426-Y442 VanDerWaalsContact CB-CE2 3.45Å; A426-Y442 HydrophobicContact CB-CG 3.64Å; A426-Y442 VanDerWaalsContact CB-CZ 3.41Å; S427-Y442 VanDerWaalsContact CA-OH 3.27Å; S427-Y442 WeakPolarHBondContact CA-OH 3.41Å; S427-Y442 PolarHBondContact N-OH 3.46Å; A438-Y442 HydrophobicContact CB-CD2 4.49Å; A438-Y442 HydrophobicContact CB-CE2 4.31Å; A438-Y442 WeakPolarHBondContact O-CD2 3.48Å; A438-Y442 PolarHBondContact O-N 3.15Å; I439-Y442 PolarHBondContact O-N 2.87Å; Y442-T444 VanDerWaalsContact C-N 3.28Å; Y442-T444 PolarHBondContact O-N 3.49Å; Y442-A445 PolarHBondContact O-N 3.34Å; Y442-L446 WeakPolarHBondContact O-CG 3.49Å; Y442-L446 PolarHBondContact O-N 3.49Å; Y442-A455 HydrophobicContact CD1-CB 3.95Å; Y442-N458 HydrophobicContact CD1-CB 4.49Å; Y442-N458 HydrophobicContact CE1-CB 3.73Å; Y442-N458 HydrophobicContact CE2-CB 3.78Å; Y442-N458 WeakPolarHBondContact OH-CB 3.1Å; Y442-L459 HydrophobicContact CD2-CB 4.28Å; Y442-L459 HydrophobicContact CG-CB 4.16Å |
| 443 | R | 98.3 | Very high | 97.1 | Very high | 136 Ų | 136 | 56.4 Ų | 56.4 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 173.4 | -76.3 | 179.2 | -179.5 | -179.6 | 3.5 | 111.2 | I439 A440 S441 L446 K447 L459 D468 | I439-R443 HydrophobicContact CG2-CG 4.48Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 VanDerWaalsContact O-CG 3.3Å; I439-R443 WeakPolarHBondContact O-CG 3.23Å; I439-R443 PolarHBondContact O-N 3.37Å; A440-R443 PolarHBondContact O-N 3.29Å; S441-R443 PolarHBondContact O-N 3.39Å; R443-L446 PolarHBondContact O-N 3.16Å; R443-K447 WeakPolarHBondContact O-CB 3.49Å; R443-K447 PolarHBondContact O-N 3.19Å; R443-L459 HydrophobicContact CG-CD1 4.39Å; R443-L459 HydrophobicContact CG-CD2 4.05Å; R443-D468 IonicContact NH2-OD2 3.19Å |
| 444 | T | 98.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 173.6 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | A440 S441 Y442 L446 K447 L448 | A440-T444 PolarHBondContact O-N 3.16Å; A440-T444 PolarHBondContact O-OG1 2.76Å; S441-T444 WeakPolarHBondContact O-CB 3.46Å; S441-T444 PolarHBondContact O-N 2.92Å; Y442-T444 VanDerWaalsContact C-N 3.28Å; Y442-T444 PolarHBondContact O-N 3.49Å; T444-L446 VanDerWaalsContact C-N 3.35Å; T444-L446 PolarHBondContact O-N 3.35Å; T444-K447 PolarHBondContact O-N 3.39Å; T444-L448 HydrophobicContact CG2-CD1 4.07Å; T444-L448 WeakPolarHBondContact O-CG 3.4Å; T444-L448 PolarHBondContact O-N 2.67Å |
| 445 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A419 H422 S441 Y442 L448 K449 F452 A455 | A419-A445 WeakPolarHBondContact O-CB 3.49Å; H422-A445 HydrophobicContact CB-CB 4.02Å; S441-A445 PolarHBondContact O-N 2.69Å; Y442-A445 PolarHBondContact O-N 3.34Å; A445-L448 PolarHBondContact O-N 3.18Å; A445-K449 PolarHBondContact O-N 2.98Å; A445-F452 HydrophobicContact CB-CD1 4.36Å; A445-F452 HydrophobicContact CB-CE1 4.4Å; A445-A455 HydrophobicContact CB-CB 4.29Å |
| 446 | L | 97.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.4 | -29.9 | 178 | -72.6 | 165.8 | 0 | 0 | 0 | 113.3 | Y442 R443 T444 L448 K449 P450 F452 A455 Y456 L459 | Y442-L446 WeakPolarHBondContact O-CG 3.49Å; Y442-L446 PolarHBondContact O-N 3.49Å; R443-L446 PolarHBondContact O-N 3.16Å; T444-L446 VanDerWaalsContact C-N 3.35Å; T444-L446 PolarHBondContact O-N 3.35Å; L446-L448 VanDerWaalsContact C-N 3.33Å; L446-K449 WeakPolarHBondContact CA-O 3.48Å; L446-K449 CarbonylContact O-C 3.54Å; L446-K449 VanDerWaalsContact O-C 3.22Å; L446-P450 VanDerWaalsContact O-CA 3.26Å; L446-P450 WeakPolarHBondContact O-CA 3.29Å; L446-F452 HydrophobicContact CD2-CB 4.06Å; L446-A455 HydrophobicContact CD2-CB 4.32Å; L446-A455 HydrophobicContact CG-CB 4.26Å; L446-Y456 HydrophobicContact CD1-CD2 4.05Å; L446-Y456 HydrophobicContact CD2-CD2 4.25Å; L446-L459 HydrophobicContact CD1-CD2 3.56Å |
| 447 | K | 97.9 | Very high | 97.4 | Very high | 183 Ų | 183 | 54.2 Ų | 54.2 | 80% | 0.796 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.7 | -38.4 | 172.1 | -174.9 | 179.4 | 179 | -178 | 0 | 111.4 | R443 T444 | R443-K447 WeakPolarHBondContact O-CB 3.49Å; R443-K447 PolarHBondContact O-N 3.19Å; T444-K447 PolarHBondContact O-N 3.39Å |
| 448 | L | 97.2 | Very high | 97.4 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -75 | -38.3 | 177.9 | -66.7 | 169.2 | 0 | 0 | 0 | 111.9 | A417 A419 T444 A445 L446 | A417-L448 HydrophobicContact CB-CD2 4.24Å; A419-L448 HydrophobicContact CB-CB 3.93Å; A419-L448 HydrophobicContact CB-CD1 4.46Å; T444-L448 HydrophobicContact CG2-CD1 4.07Å; T444-L448 WeakPolarHBondContact O-CG 3.4Å; T444-L448 PolarHBondContact O-N 2.67Å; A445-L448 PolarHBondContact O-N 3.18Å; L446-L448 VanDerWaalsContact C-N 3.33Å |
| 449 | K | 96.6 | Very high | 97.4 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | trans | -135.4 | 93.5 | -179.9 | -173.6 | -179.3 | 176.6 | -179.2 | 0 | 109.8 | A419 A445 L446 D451 F452 | A419-K449 HydrophobicContact CB-CB 3.85Å; A445-K449 PolarHBondContact O-N 2.98Å; L446-K449 WeakPolarHBondContact CA-O 3.48Å; L446-K449 CarbonylContact O-C 3.54Å; L446-K449 VanDerWaalsContact O-C 3.22Å; K449-D451 VanDerWaalsContact C-N 3.34Å; K449-D451 WeakPolarHBondContact CE-O 3.27Å; K449-D451 PolarHBondContact O-N 3.39Å; K449-F452 HydrophobicContact CB-CB 4.4Å; K449-F452 HydrophobicContact CB-CD1 4.39Å; K449-F452 HydrophobicContact CD-CB 4.15Å; K449-F452 HydrophobicContact CD-CD1 4.07Å; K449-F452 HydrophobicContact CD-CG 4.1Å; K449-F452 HydrophobicContact CG-CB 4.14Å; K449-F452 WeakPolarHBondContact O-CB 3.45Å | ||
| 450 | P | 96.2 | Very high | 97.4 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -61 | -37.7 | -176.9 | -27.7 | 36.2 | 0 | 0 | 0 | 114.3 | L446 F452 | L446-P450 VanDerWaalsContact O-CA 3.26Å; L446-P450 WeakPolarHBondContact O-CA 3.29Å; P450-F452 PolarHBondContact O-N 3.38Å |
| 451 | D | 94.1 | Very high | 97.4 | Very high | 110 Ų | 110 | 50 Ų | 50 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | trans | -89.8 | 83 | 172 | -174.5 | 22 | 0 | 0 | 0 | 110.3 | K449 | K449-D451 VanDerWaalsContact C-N 3.34Å; K449-D451 WeakPolarHBondContact CE-O 3.27Å; K449-D451 PolarHBondContact O-N 3.39Å | ||
| 452 | F | 96.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | trans | -138.1 | 81.9 | 177.3 | -163.1 | 176.2 | 0 | 0 | 0 | 111.5 | A419 D420 A445 L446 K449 P450 D454 A455 Y456 | A419-F452 HydrophobicContact CB-CD1 4.44Å; A419-F452 HydrophobicContact CB-CE1 4.33Å; D420-F452 WeakPolarHBondContact OD1-CE1 3.38Å; D420-F452 WeakPolarHBondContact OD1-CZ 3.37Å; A445-F452 HydrophobicContact CB-CD1 4.36Å; A445-F452 HydrophobicContact CB-CE1 4.4Å; L446-F452 HydrophobicContact CD2-CB 4.06Å; K449-F452 HydrophobicContact CB-CB 4.4Å; K449-F452 HydrophobicContact CB-CD1 4.39Å; K449-F452 HydrophobicContact CD-CB 4.15Å; K449-F452 HydrophobicContact CD-CD1 4.07Å; K449-F452 HydrophobicContact CD-CG 4.1Å; K449-F452 HydrophobicContact CG-CB 4.14Å; K449-F452 WeakPolarHBondContact O-CB 3.45Å; P450-F452 PolarHBondContact O-N 3.38Å; F452-D454 HydrophobicContact CD2-CB 4.33Å; F452-D454 HydrophobicContact CE2-CB 3.97Å; F452-D454 PolarHBondContact O-N 2.97Å; F452-A455 HydrophobicContact CB-CB 4.15Å; F452-A455 HydrophobicContact CD1-CB 3.55Å; F452-A455 HydrophobicContact CD2-CB 4.14Å; F452-A455 HydrophobicContact CE1-CB 3.92Å; F452-A455 HydrophobicContact CE2-CB 4.47Å; F452-A455 HydrophobicContact CG-CB 3.67Å; F452-A455 HydrophobicContact CZ-CB 4.36Å; F452-A455 PolarHBondContact O-N 2.99Å; F452-Y456 PolarHBondContact O-N 3.42Å | ||
| 453 | P | 96.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.1 | -46.6 | -177.2 | -34.7 | 39.8 | 0 | 0 | 0 | 115.5 | A455 Y456 C457 I482 Q486 | P453-A455 PolarHBondContact O-N 3.48Å; P453-Y456 PolarHBondContact O-N 2.98Å; P453-C457 WeakPolarHBondContact O-CB 3.46Å; P453-C457 PolarHBondContact O-N 3.31Å; P453-C457 PolarHBondContact O-SG 3.37Å; P453-C457 VanDerWaalsContact O-SG 3.37Å; P453-I482 HydrophobicContact CB-CG2 3.7Å; P453-I482 HydrophobicContact CG-CG2 4.32Å; P453-Q486 VanDerWaalsContact CB-NE2 3.32Å |
| 454 | D | 94.8 | Very high | 97.4 | Very high | 75 Ų | 75 | 43 Ų | 43 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -46.1 | -178.4 | -65.2 | -44.4 | 0 | 0 | 0 | 112 | F452 Y456 N458 S494 | F452-D454 HydrophobicContact CD2-CB 4.33Å; F452-D454 HydrophobicContact CE2-CB 3.97Å; F452-D454 PolarHBondContact O-N 2.97Å; D454-Y456 VanDerWaalsContact C-N 3.33Å; D454-Y456 PolarHBondContact O-N 3.18Å; D454-N458 WeakPolarHBondContact O-CB 3.29Å; D454-N458 PolarHBondContact O-N 3.34Å; D454-N458 PolarHBondContact O-ND2 3.47Å; D454-S494 WeakPolarHBondContact CA-OG 3.4Å; D454-S494 PolarHBondContact N-OG 3.38Å; D454-S494 VanDerWaalsContact OD1-CB 3.25Å; D454-S494 WeakPolarHBondContact OD1-CB 3.28Å; D454-S494 PolarHBondContact OD1-OG 2.51Å |
| 455 | A | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y442 A445 L446 F452 P453 L459 | Y442-A455 HydrophobicContact CD1-CB 3.95Å; A445-A455 HydrophobicContact CB-CB 4.29Å; L446-A455 HydrophobicContact CD2-CB 4.32Å; L446-A455 HydrophobicContact CG-CB 4.26Å; F452-A455 HydrophobicContact CB-CB 4.15Å; F452-A455 HydrophobicContact CD1-CB 3.55Å; F452-A455 HydrophobicContact CD2-CB 4.14Å; F452-A455 HydrophobicContact CE1-CB 3.92Å; F452-A455 HydrophobicContact CE2-CB 4.47Å; F452-A455 HydrophobicContact CG-CB 3.67Å; F452-A455 HydrophobicContact CZ-CB 4.36Å; F452-A455 PolarHBondContact O-N 2.99Å; P453-A455 PolarHBondContact O-N 3.48Å; A455-L459 WeakPolarHBondContact O-CB 3.27Å; A455-L459 PolarHBondContact O-N 3.03Å |
| 456 | Y | 98.5 | Very high | 97.4 | Very high | 52 Ų | 52 | 42 Ų | 42 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 178.4 | -167.7 | -86.9 | 0 | 0 | 0 | 112.5 | L446 F452 P453 D454 N458 L459 A460 R475 K478 L479 I482 | L446-Y456 HydrophobicContact CD1-CD2 4.05Å; L446-Y456 HydrophobicContact CD2-CD2 4.25Å; F452-Y456 PolarHBondContact O-N 3.42Å; P453-Y456 PolarHBondContact O-N 2.98Å; D454-Y456 VanDerWaalsContact C-N 3.33Å; D454-Y456 PolarHBondContact O-N 3.18Å; Y456-N458 PolarHBondContact O-N 3.47Å; Y456-L459 PolarHBondContact O-N 3.35Å; Y456-A460 WeakPolarHBondContact O-CB 3.45Å; Y456-A460 PolarHBondContact O-N 3.14Å; Y456-R475 HydrophobicContact CE1-CG 4.23Å; Y456-R475 WeakPolarHBondContact OH-CA 3.21Å; Y456-K478 HydrophobicContact CD1-CG 4.49Å; Y456-K478 HydrophobicContact CE1-CB 3.98Å; Y456-K478 HydrophobicContact CE1-CG 3.8Å; Y456-K478 HydrophobicContact CE2-CG 4.24Å; Y456-K478 WeakPolarHBondContact OH-CB 3.31Å; Y456-L479 HydrophobicContact CD1-CD2 4.02Å; Y456-L479 HydrophobicContact CE1-CD2 4.16Å; Y456-L479 HydrophobicContact CE1-CG 4.19Å; Y456-I482 HydrophobicContact CD1-CD1 3.47Å; Y456-I482 VanDerWaalsContact CD1-CD1 3.47Å; Y456-I482 HydrophobicContact CE1-CD1 4.11Å; Y456-I482 HydrophobicContact CG-CD1 3.88Å |
| 457 | C | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | -180 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | P453 A460 H461 L479 S494 V495 | P453-C457 WeakPolarHBondContact O-CB 3.46Å; P453-C457 PolarHBondContact O-N 3.31Å; P453-C457 PolarHBondContact O-SG 3.37Å; P453-C457 VanDerWaalsContact O-SG 3.37Å; C457-A460 PolarHBondContact O-N 3.09Å; C457-H461 PolarHBondContact O-N 3.17Å; C457-L479 HydrophobicContact CB-CD2 4.15Å; C457-L479 VanDerWaalsContact SG-CD2 3.51Å; C457-S494 VanDerWaalsContact SG-CB 3.57Å; C457-V495 HydrophobicContact CB-CG2 4.27Å |
| 458 | N | 97.6 | Very high | 97.5 | Very high | 36 Ų | 36 | 33 Ų | 33 | 19% | 0.193 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71 | -35.4 | 176.9 | -73.8 | -52.2 | 0 | 0 | 0 | 112.7 | Y442 D454 Y456 H461 C462 | Y442-N458 HydrophobicContact CD1-CB 4.49Å; Y442-N458 HydrophobicContact CE1-CB 3.73Å; Y442-N458 HydrophobicContact CE2-CB 3.78Å; Y442-N458 WeakPolarHBondContact OH-CB 3.1Å; D454-N458 WeakPolarHBondContact O-CB 3.29Å; D454-N458 PolarHBondContact O-N 3.34Å; D454-N458 PolarHBondContact O-ND2 3.47Å; Y456-N458 PolarHBondContact O-N 3.47Å; N458-H461 PolarHBondContact O-N 3.36Å; N458-C462 PolarHBondContact O-N 3Å; N458-C462 PolarHBondContact O-SG 3.4Å |
| 459 | L | 98.3 | Very high | 97.5 | Very high | 16 Ų | 16 | 30 Ų | 30 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 169.8 | 174.8 | 58 | 0 | 0 | 0 | 111 | I439 Y442 R443 L446 A455 Y456 H461 C462 L463 | I439-L459 HydrophobicContact CB-CD1 4.15Å; I439-L459 HydrophobicContact CG1-CD1 4.09Å; I439-L459 HydrophobicContact CG2-CD1 3.9Å; Y442-L459 HydrophobicContact CD2-CB 4.28Å; Y442-L459 HydrophobicContact CG-CB 4.16Å; R443-L459 HydrophobicContact CG-CD1 4.39Å; R443-L459 HydrophobicContact CG-CD2 4.05Å; L446-L459 HydrophobicContact CD1-CD2 3.56Å; A455-L459 WeakPolarHBondContact O-CB 3.27Å; A455-L459 PolarHBondContact O-N 3.03Å; Y456-L459 PolarHBondContact O-N 3.35Å; L459-H461 PolarHBondContact O-N 3.32Å; L459-C462 WeakPolarHBondContact O-CB 3.3Å; L459-C462 PolarHBondContact O-N 3.07Å; L459-L463 HydrophobicContact CD1-CD1 3.89Å; L459-L463 HydrophobicContact CD1-CD2 4.43Å; L459-L463 HydrophobicContact CD1-CG 3.95Å; L459-L463 HydrophobicContact CD2-CD1 4.47Å; L459-L463 HydrophobicContact CG-CD1 3.8Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CG 3.19Å; L459-L463 PolarHBondContact O-N 3.22Å |
| 460 | A | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y456 C457 L463 Q464 R475 L479 | Y456-A460 WeakPolarHBondContact O-CB 3.45Å; Y456-A460 PolarHBondContact O-N 3.14Å; C457-A460 PolarHBondContact O-N 3.09Å; A460-L463 PolarHBondContact O-N 3.02Å; A460-Q464 WeakPolarHBondContact O-CB 3.47Å; A460-Q464 PolarHBondContact O-N 3.18Å; A460-R475 HydrophobicContact CB-CG 4.13Å; A460-L479 HydrophobicContact CB-CD1 3.83Å; A460-L479 HydrophobicContact CB-CD2 3.98Å; A460-L479 HydrophobicContact CB-CG 4.24Å |
| 461 | H | 97.9 | Very high | 97.6 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 173.1 | -174.7 | -112.8 | 0 | 0 | 0 | 112.7 | K430 C457 N458 L459 L463 Q464 I465 H499 | K430-H461 WeakPolarHBondContact CE-ND1 3.39Å; C457-H461 PolarHBondContact O-N 3.17Å; N458-H461 PolarHBondContact O-N 3.36Å; L459-H461 PolarHBondContact O-N 3.32Å; H461-L463 VanDerWaalsContact C-N 3.31Å; H461-L463 PolarHBondContact O-N 2.9Å; H461-Q464 WeakPolarHBondContact O-CB 3.33Å; H461-Q464 PolarHBondContact O-N 3.49Å; H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.3Å; H461-H499 AromaticContact CD2-CD2 3.55Å; H461-H499 AromaticContact CD2-CE1 3.87Å; H461-H499 AromaticContact CD2-CG 3.64Å; H461-H499 AromaticContact CD2-ND1 3.82Å; H461-H499 AromaticContact CD2-NE2 3.74Å; H461-H499 AromaticContact CE1-CD2 3.78Å; H461-H499 AromaticContact CE1-CE1 3.64Å; H461-H499 AromaticContact CE1-NE2 3.26Å; H461-H499 PolarHBondContact CE1-NE2 3.29Å; H461-H499 VanDerWaalsContact CE1-NE2 3.26Å; H461-H499 AromaticContact CG-CE1 3.71Å; H461-H499 AromaticContact CG-ND1 3.79Å; H461-H499 AromaticContact CG-NE2 3.97Å; H461-H499 AromaticContact ND1-CE1 3.59Å; H461-H499 AromaticContact ND1-NE2 3.71Å; H461-H499 AromaticContact NE2-CD2 3.29Å; H461-H499 PolarHBondContact NE2-CD2 3.17Å; H461-H499 VanDerWaalsContact NE2-CD2 3.29Å; H461-H499 AromaticContact NE2-CE1 3.83Å; H461-H499 AromaticContact NE2-CG 3.9Å; H461-H499 AromaticContact NE2-NE2 3.29Å; H461-H499 PolarHBondContact NE2-NE2 3.39Å |
| 462 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 174.7 | -66.7 | 0 | 0 | 0 | 0 | 112 | I435 I439 N458 L459 Q464 I465 V466 | I435-C462 HydrophobicContact CG2-CB 3.79Å; I435-C462 WeakPolarHBondContact CG2-O 3.27Å; I439-C462 HydrophobicContact CD1-CB 4.27Å; I439-C462 HydrophobicContact CG1-CB 3.61Å; N458-C462 PolarHBondContact O-N 3Å; N458-C462 PolarHBondContact O-SG 3.4Å; L459-C462 WeakPolarHBondContact O-CB 3.3Å; L459-C462 PolarHBondContact O-N 3.07Å; C462-Q464 VanDerWaalsContact C-N 3.33Å; C462-I465 WeakPolarHBondContact O-CB 3.21Å; C462-I465 PolarHBondContact O-N 3.47Å; C462-V466 PolarHBondContact O-N 3.1Å |
| 463 | L | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.7 | -35.7 | 176.4 | -63.8 | 166.7 | 0 | 0 | 0 | 111.5 | I439 L459 A460 H461 V466 C467 D468 | I439-L463 HydrophobicContact CD1-CD2 3.86Å; I439-L463 HydrophobicContact CG1-CD2 4.17Å; I439-L463 HydrophobicContact CG2-CD2 4.16Å; L459-L463 HydrophobicContact CD1-CD1 3.89Å; L459-L463 HydrophobicContact CD1-CD2 4.43Å; L459-L463 HydrophobicContact CD1-CG 3.95Å; L459-L463 HydrophobicContact CD2-CD1 4.47Å; L459-L463 HydrophobicContact CG-CD1 3.8Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CG 3.19Å; L459-L463 PolarHBondContact O-N 3.22Å; A460-L463 PolarHBondContact O-N 3.02Å; H461-L463 VanDerWaalsContact C-N 3.31Å; H461-L463 PolarHBondContact O-N 2.9Å; L463-V466 PolarHBondContact O-N 3.37Å; L463-C467 WeakPolarHBondContact O-CA 3.32Å; L463-C467 PolarHBondContact O-N 3.36Å; L463-D468 HydrophobicContact CB-CB 4.36Å; L463-D468 HydrophobicContact CD2-CB 3.79Å; L463-D468 PolarHBondContact O-N 3.29Å |
| 464 | Q | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 172.2 | -168.4 | 65.3 | 24.2 | 0 | 0 | 111.6 | A460 H461 C462 V466 C467 L502 Y841 I843 | A460-Q464 WeakPolarHBondContact O-CB 3.47Å; A460-Q464 PolarHBondContact O-N 3.18Å; H461-Q464 WeakPolarHBondContact O-CB 3.33Å; H461-Q464 PolarHBondContact O-N 3.49Å; C462-Q464 VanDerWaalsContact C-N 3.33Å; Q464-V466 VanDerWaalsContact C-N 3.27Å; Q464-V466 PolarHBondContact O-N 3.38Å; Q464-C467 PolarHBondContact O-N 3.46Å; Q464-C467 VanDerWaalsContact O-N 3.17Å; Q464-L502 HydrophobicContact CG-CD1 4.2Å; Q464-Y841 PolarHBondContact NE2-O 3.09Å; Q464-Y841 WeakPolarHBondContact O-CA 3.49Å; Q464-I843 PolarHBondContact NE2-O 3.07Å |
| 465 | I | 98.2 | Very high | 98.1 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.6 | -40.7 | 177.2 | -70.1 | 165.9 | 0 | 0 | 0 | 111.8 | I435 H461 C462 P869 | I435-I465 HydrophobicContact CD1-CD1 3.99Å; I435-I465 HydrophobicContact CD1-CG2 4.26Å; I435-I465 HydrophobicContact CG1-CG2 3.91Å; H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.3Å; C462-I465 WeakPolarHBondContact O-CB 3.21Å; C462-I465 PolarHBondContact O-N 3.47Å; I465-P869 HydrophobicContact CG2-CG 3.91Å; I465-P869 VanDerWaalsContact O-CD 3.29Å; I465-P869 WeakPolarHBondContact O-CD 3.49Å |
| 466 | V | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 6.8 | -178.3 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | I435 I439 C462 L463 Q464 D468 P869 V871 G872 N875 | I435-V466 HydrophobicContact CB-CG1 3.95Å; I435-V466 HydrophobicContact CG2-CG1 3.61Å; I439-V466 HydrophobicContact CD1-CG2 3.88Å; C462-V466 PolarHBondContact O-N 3.1Å; L463-V466 PolarHBondContact O-N 3.37Å; Q464-V466 VanDerWaalsContact C-N 3.27Å; Q464-V466 PolarHBondContact O-N 3.38Å; V466-D468 HydrophobicContact CG2-CB 4Å; V466-D468 PolarHBondContact O-N 2.99Å; V466-P869 HydrophobicContact CG1-CG 4.39Å; V466-V871 HydrophobicContact CG1-CG2 3.76Å; V466-G872 WeakPolarHBondContact O-CA 3.34Å; V466-N875 PolarHBondContact O-ND2 3.47Å |
| 467 | C | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 41 | -174.5 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | L463 Q464 W469 L840 I876 Y879 | L463-C467 WeakPolarHBondContact O-CA 3.32Å; L463-C467 PolarHBondContact O-N 3.36Å; Q464-C467 PolarHBondContact O-N 3.46Å; Q464-C467 VanDerWaalsContact O-N 3.17Å; C467-W469 HydrophobicContact CB-CZ2 3.85Å; C467-W469 PolarHBondContact O-N 3.28Å; C467-L840 PolarHBondContact SG-O 3.21Å; C467-I876 HydrophobicContact CB-CD1 3.56Å; C467-I876 HydrophobicContact CB-CG1 4.11Å; C467-Y879 VanDerWaalsContact O-CE2 3.32Å; C467-Y879 WeakPolarHBondContact O-CE2 3.49Å |
| 468 | D | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | trans | -83.1 | 101.4 | 166.7 | -178 | -13 | 0 | 0 | 0 | 108.5 | R443 L463 V466 T470 R475 | R443-D468 IonicContact NH2-OD2 3.19Å; L463-D468 HydrophobicContact CB-CB 4.36Å; L463-D468 HydrophobicContact CD2-CB 3.79Å; L463-D468 PolarHBondContact O-N 3.29Å; V466-D468 HydrophobicContact CG2-CB 4Å; V466-D468 PolarHBondContact O-N 2.99Å; D468-T470 WeakPolarHBondContact OD1-CB 3.22Å; D468-T470 PolarHBondContact OD1-N 3.39Å; D468-T470 PolarHBondContact OD1-OG1 2.79Å; D468-R475 PolarHBondContact O-NH1 2.99Å; D468-R475 PolarHBondContact O-NH2 3.07Å | ||
| 469 | W | 98.5 | Very high | 98.1 | Very high | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | trans | -96.8 | 18.9 | -178.3 | -53.2 | -38 | 0 | 0 | 0 | 113.2 | C467 D471 Y472 I843 P845 L848 I876 Y879 | C467-W469 HydrophobicContact CB-CZ2 3.85Å; C467-W469 PolarHBondContact O-N 3.28Å; W469-D471 PolarHBondContact O-N 3.19Å; W469-Y472 HydrophobicContact CB-CD2 4.3Å; W469-Y472 HydrophobicContact CB-CG 4.49Å; W469-Y472 AromaticContact CD1-CD2 3.84Å; W469-Y472 HydrophobicContact CG-CD2 4.31Å; W469-Y472 WeakPolarHBondContact O-CB 3.49Å; W469-Y472 PolarHBondContact O-N 3.27Å; W469-Y472 VanDerWaalsContact O-N 3.15Å; W469-I843 HydrophobicContact CH2-CG2 3.87Å; W469-I843 HydrophobicContact CZ2-CB 4.3Å; W469-I843 HydrophobicContact CZ2-CG2 3.81Å; W469-P845 HydrophobicContact CB-CG 3.93Å; W469-P845 HydrophobicContact CD2-CB 4.41Å; W469-P845 HydrophobicContact CD2-CG 3.63Å; W469-P845 HydrophobicContact CE3-CB 4.16Å; W469-P845 HydrophobicContact CE3-CG 3.86Å; W469-P845 HydrophobicContact CG-CG 3.67Å; W469-L848 HydrophobicContact CH2-CB 3.76Å; W469-L848 HydrophobicContact CH2-CD2 3.74Å; W469-L848 HydrophobicContact CH2-CG 4.34Å; W469-L848 HydrophobicContact CZ3-CB 4.02Å; W469-L848 HydrophobicContact CZ3-CD2 3.56Å; W469-L848 HydrophobicContact CZ3-CG 4.43Å; W469-I876 HydrophobicContact CH2-CD1 3.69Å; W469-I876 HydrophobicContact CZ2-CD1 3.95Å; W469-I876 HydrophobicContact CZ3-CD1 4.47Å; W469-Y879 WeakPolarHBondContact CA-OH 3.43Å; W469-Y879 HydrophobicContact CB-CE1 4.18Å; W469-Y879 HydrophobicContact CB-CE2 3.99Å; W469-Y879 HydrophobicContact CD2-CD2 4.03Å; W469-Y879 HydrophobicContact CD2-CE2 4.02Å; W469-Y879 AromaticContact CE3-CD1 3.98Å; W469-Y879 HydrophobicContact CE3-CD1 3.98Å; W469-Y879 AromaticContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CE1 4.31Å; W469-Y879 AromaticContact CE3-CE2 3.72Å; W469-Y879 HydrophobicContact CE3-CE2 3.72Å; W469-Y879 AromaticContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CG-CE2 4.17Å; W469-Y879 AromaticContact CZ3-CD2 3.74Å; W469-Y879 HydrophobicContact CZ3-CD2 3.74Å; W469-Y879 AromaticContact CZ3-CG 3.8Å; W469-Y879 HydrophobicContact CZ3-CG 3.8Å; W469-Y879 PolarHBondContact N-OH 2.96Å | ||
| 470 | T | 97.7 | Very high | 98.1 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 123.9 | 171.8 | -51.4 | 0 | 0 | 0 | 0 | 109.1 | D468 Y472 R475 Y879 | D468-T470 WeakPolarHBondContact OD1-CB 3.22Å; D468-T470 PolarHBondContact OD1-N 3.39Å; D468-T470 PolarHBondContact OD1-OG1 2.79Å; T470-Y472 VanDerWaalsContact C-N 3.25Å; T470-Y472 PolarHBondContact O-N 2.89Å; T470-R475 PolarHBondContact O-NH2 3.22Å; T470-Y879 PolarHBondContact N-OH 3.23Å |
| 471 | D | 97 | Very high | 98.1 | Very high | 111 Ų | 111 | 45 Ų | 45 | 59% | 0.594 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 32.2 | -176.2 | -46 | -43.4 | 0 | 0 | 0 | 114.3 | W469 D473 E474 R475 | W469-D471 PolarHBondContact O-N 3.19Å; D471-D473 PolarHBondContact O-N 3.06Å; D471-E474 PolarHBondContact O-N 3Å; D471-R475 VanDerWaalsContact O-CB 3.31Å; D471-R475 WeakPolarHBondContact O-CB 3.23Å; D471-R475 PolarHBondContact O-N 3.45Å |
| 472 | Y | 98.3 | Very high | 98.1 | Very high | 31 Ų | 31 | 44.5 Ų | 44.5 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51.9 | -52 | -174.6 | -176.4 | -97.1 | 0 | 0 | 0 | 113.6 | W469 T470 E474 R475 M476 P845 | W469-Y472 HydrophobicContact CB-CD2 4.3Å; W469-Y472 HydrophobicContact CB-CG 4.49Å; W469-Y472 AromaticContact CD1-CD2 3.84Å; W469-Y472 HydrophobicContact CG-CD2 4.31Å; W469-Y472 WeakPolarHBondContact O-CB 3.49Å; W469-Y472 PolarHBondContact O-N 3.27Å; W469-Y472 VanDerWaalsContact O-N 3.15Å; T470-Y472 VanDerWaalsContact C-N 3.25Å; T470-Y472 PolarHBondContact O-N 2.89Å; Y472-E474 PolarHBondContact O-N 3.43Å; Y472-R475 WeakPolarHBondContact O-CB 3.45Å; Y472-R475 PolarHBondContact O-N 3.18Å; Y472-M476 HydrophobicContact CD1-CG 4.07Å; Y472-M476 HydrophobicContact CD2-CE 4.09Å; Y472-M476 HydrophobicContact CE1-CG 3.75Å; Y472-M476 HydrophobicContact CE2-CE 3.8Å; Y472-M476 HydrophobicContact CE2-CG 4.27Å; Y472-M476 HydrophobicContact CE2-SD 4.31Å; Y472-M476 HydrophobicContact CG-CG 4.47Å; Y472-M476 VanDerWaalsContact O-CG 3.31Å; Y472-M476 WeakPolarHBondContact O-CG 3.43Å; Y472-M476 PolarHBondContact O-N 3.17Å; Y472-P845 HydrophobicContact CD1-CG 3.98Å; Y472-P845 HydrophobicContact CD2-CG 4.25Å; Y472-P845 HydrophobicContact CE1-CG 4.25Å; Y472-P845 HydrophobicContact CG-CG 3.98Å |
| 473 | D | 97.2 | Very high | 98.1 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 62% | 0.62 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.4 | -39.2 | -175.6 | -67.9 | -27.6 | 0 | 0 | 0 | 112.7 | D471 M476 K477 | D471-D473 PolarHBondContact O-N 3.06Å; D473-M476 PolarHBondContact O-N 2.65Å; D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.46Å; D473-K477 PolarHBondContact O-N 3.49Å |
| 474 | E | 98.1 | Very high | 98 | Very high | 138 Ų | 138 | 45.9 Ų | 45.9 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.9 | -43.6 | 175.1 | -174.1 | 176.1 | 172.8 | 0 | 0 | 110.5 | D471 Y472 M476 K477 K478 | D471-E474 PolarHBondContact O-N 3Å; Y472-E474 PolarHBondContact O-N 3.43Å; E474-M476 PolarHBondContact O-N 3.16Å; E474-K477 PolarHBondContact O-N 3.41Å; E474-K478 WeakPolarHBondContact O-CB 3.42Å; E474-K478 PolarHBondContact O-N 3.2Å |
| 475 | R | 97.9 | Very high | 98 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.3 | -165.3 | -166.5 | -50.4 | 164.6 | -2 | 112 | Y456 A460 D468 T470 D471 Y472 K478 L479 | Y456-R475 HydrophobicContact CE1-CG 4.23Å; Y456-R475 WeakPolarHBondContact OH-CA 3.21Å; A460-R475 HydrophobicContact CB-CG 4.13Å; D468-R475 PolarHBondContact O-NH1 2.99Å; D468-R475 PolarHBondContact O-NH2 3.07Å; T470-R475 PolarHBondContact O-NH2 3.22Å; D471-R475 VanDerWaalsContact O-CB 3.31Å; D471-R475 WeakPolarHBondContact O-CB 3.23Å; D471-R475 PolarHBondContact O-N 3.45Å; Y472-R475 WeakPolarHBondContact O-CB 3.45Å; Y472-R475 PolarHBondContact O-N 3.18Å; R475-K478 PolarHBondContact O-N 3.37Å; R475-L479 WeakPolarHBondContact O-CG 3.12Å; R475-L479 PolarHBondContact O-N 3.26Å |
| 476 | M | 98.2 | Very high | 97.9 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.2 | -67.8 | -52.5 | 115.2 | 0 | 0 | 111.6 | Y472 D473 E474 K478 L479 V480 Y503 P504 | Y472-M476 HydrophobicContact CD1-CG 4.07Å; Y472-M476 HydrophobicContact CD2-CE 4.09Å; Y472-M476 HydrophobicContact CE1-CG 3.75Å; Y472-M476 HydrophobicContact CE2-CE 3.8Å; Y472-M476 HydrophobicContact CE2-CG 4.27Å; Y472-M476 HydrophobicContact CE2-SD 4.31Å; Y472-M476 HydrophobicContact CG-CG 4.47Å; Y472-M476 VanDerWaalsContact O-CG 3.31Å; Y472-M476 WeakPolarHBondContact O-CG 3.43Å; Y472-M476 PolarHBondContact O-N 3.17Å; D473-M476 PolarHBondContact O-N 2.65Å; E474-M476 PolarHBondContact O-N 3.16Å; M476-K478 VanDerWaalsContact C-N 3.33Å; M476-K478 PolarHBondContact O-N 2.97Å; M476-L479 HydrophobicContact CE-CD1 3.88Å; M476-L479 PolarHBondContact O-N 3.18Å; M476-L479 HydrophobicContact SD-CD1 4.06Å; M476-V480 WeakPolarHBondContact O-CG2 3.4Å; M476-V480 PolarHBondContact O-N 2.86Å; M476-Y503 HydrophobicContact CE-CD1 4.35Å; M476-Y503 HydrophobicContact CE-CE1 4.49Å; M476-Y503 HydrophobicContact SD-CD1 3.81Å; M476-P504 HydrophobicContact CB-CG 4.14Å |
| 477 | K | 98.1 | Very high | 97.8 | Very high | 156 Ų | 156 | 49 Ų | 49 | 68% | 0.678 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 175.3 | -74.8 | 172.5 | -177.1 | 174.3 | 0 | 111.8 | D473 E474 V480 S481 | D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.46Å; D473-K477 PolarHBondContact O-N 3.49Å; E474-K477 PolarHBondContact O-N 3.41Å; K477-V480 PolarHBondContact O-N 2.91Å; K477-S481 PolarHBondContact O-N 3.4Å |
| 478 | K | 97.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 57 Ų | 57 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 178.6 | -172.2 | 60.1 | 177.2 | 174.4 | 0 | 112 | Y456 E474 R475 M476 S481 I482 | Y456-K478 HydrophobicContact CD1-CG 4.49Å; Y456-K478 HydrophobicContact CE1-CB 3.98Å; Y456-K478 HydrophobicContact CE1-CG 3.8Å; Y456-K478 HydrophobicContact CE2-CG 4.24Å; Y456-K478 WeakPolarHBondContact OH-CB 3.31Å; E474-K478 WeakPolarHBondContact O-CB 3.42Å; E474-K478 PolarHBondContact O-N 3.2Å; R475-K478 PolarHBondContact O-N 3.37Å; M476-K478 VanDerWaalsContact C-N 3.33Å; M476-K478 PolarHBondContact O-N 2.97Å; K478-S481 WeakPolarHBondContact O-CB 3.4Å; K478-S481 PolarHBondContact O-N 3.25Å; K478-I482 HydrophobicContact CG-CD1 4.06Å; K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.45Å; K478-I482 PolarHBondContact O-N 2.76Å |
| 479 | L | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 172.6 | -75.7 | 172.3 | 0 | 0 | 0 | 112.1 | Y456 C457 A460 R475 M476 S481 I482 V483 Y503 | Y456-L479 HydrophobicContact CD1-CD2 4.02Å; Y456-L479 HydrophobicContact CE1-CD2 4.16Å; Y456-L479 HydrophobicContact CE1-CG 4.19Å; C457-L479 HydrophobicContact CB-CD2 4.15Å; C457-L479 VanDerWaalsContact SG-CD2 3.51Å; A460-L479 HydrophobicContact CB-CD1 3.83Å; A460-L479 HydrophobicContact CB-CD2 3.98Å; A460-L479 HydrophobicContact CB-CG 4.24Å; R475-L479 WeakPolarHBondContact O-CG 3.12Å; R475-L479 PolarHBondContact O-N 3.26Å; M476-L479 HydrophobicContact CE-CD1 3.88Å; M476-L479 PolarHBondContact O-N 3.18Å; M476-L479 HydrophobicContact SD-CD1 4.06Å; L479-S481 VanDerWaalsContact C-N 3.31Å; L479-S481 PolarHBondContact O-N 3.48Å; L479-I482 PolarHBondContact O-N 2.65Å; L479-V483 WeakPolarHBondContact O-CG2 3.37Å; L479-V483 PolarHBondContact O-N 3.17Å; L479-Y503 HydrophobicContact CD1-CD1 3.73Å; L479-Y503 HydrophobicContact CD1-CD2 4.31Å; L479-Y503 HydrophobicContact CD1-CE1 3.72Å; L479-Y503 HydrophobicContact CD1-CE2 4.28Å; L479-Y503 HydrophobicContact CD1-CG 4.05Å |
| 480 | V | 98.3 | Very high | 97 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | M476 K477 V483 A484 P504 L505 F509 | M476-V480 WeakPolarHBondContact O-CG2 3.4Å; M476-V480 PolarHBondContact O-N 2.86Å; K477-V480 PolarHBondContact O-N 2.91Å; V480-V483 PolarHBondContact O-N 3.25Å; V480-A484 WeakPolarHBondContact O-CB 3.5Å; V480-A484 PolarHBondContact O-N 2.98Å; V480-P504 HydrophobicContact CG2-CG 4.43Å; V480-L505 HydrophobicContact CB-CD2 4.5Å; V480-L505 HydrophobicContact CG2-CD2 4.05Å; V480-F509 HydrophobicContact CG1-CE2 4.45Å |
| 481 | S | 98.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 71.5 Ų | 71.5 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 176.1 | 178 | 0 | 0 | 0 | 0 | 112.7 | K477 K478 L479 A484 E485 | K477-S481 PolarHBondContact O-N 3.4Å; K478-S481 WeakPolarHBondContact O-CB 3.4Å; K478-S481 PolarHBondContact O-N 3.25Å; L479-S481 VanDerWaalsContact C-N 3.31Å; L479-S481 PolarHBondContact O-N 3.48Å; S481-A484 PolarHBondContact O-N 3.05Å; S481-E485 WeakPolarHBondContact O-CB 3.32Å; S481-E485 PolarHBondContact O-N 3.41Å |
| 482 | I | 97.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 177.9 | -73.8 | 165.8 | 0 | 0 | 0 | 110.3 | P453 Y456 K478 L479 A484 E485 Q486 | P453-I482 HydrophobicContact CB-CG2 3.7Å; P453-I482 HydrophobicContact CG-CG2 4.32Å; Y456-I482 HydrophobicContact CD1-CD1 3.47Å; Y456-I482 VanDerWaalsContact CD1-CD1 3.47Å; Y456-I482 HydrophobicContact CE1-CD1 4.11Å; Y456-I482 HydrophobicContact CG-CD1 3.88Å; K478-I482 HydrophobicContact CG-CD1 4.06Å; K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.45Å; K478-I482 PolarHBondContact O-N 2.76Å; L479-I482 PolarHBondContact O-N 2.65Å; I482-A484 VanDerWaalsContact C-N 3.35Å; I482-A484 PolarHBondContact O-N 3.27Å; I482-E485 PolarHBondContact O-N 3.4Å; I482-Q486 HydrophobicContact CG2-CG 4.35Å; I482-Q486 WeakPolarHBondContact O-CB 3.47Å; I482-Q486 VanDerWaalsContact O-CG 3.27Å; I482-Q486 WeakPolarHBondContact O-CG 3.49Å; I482-Q486 PolarHBondContact O-N 3.18Å |
| 483 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 178.8 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | L479 V480 E485 Q486 L487 V495 L505 F509 I513 | L479-V483 WeakPolarHBondContact O-CG2 3.37Å; L479-V483 PolarHBondContact O-N 3.17Å; V480-V483 PolarHBondContact O-N 3.25Å; V483-E485 PolarHBondContact O-N 3.45Å; V483-Q486 PolarHBondContact O-N 3.44Å; V483-L487 HydrophobicContact CG1-CD1 3.85Å; V483-L487 HydrophobicContact CG1-CG 4.31Å; V483-L487 WeakPolarHBondContact O-CB 3.25Å; V483-L487 VanDerWaalsContact O-CG 3.3Å; V483-L487 WeakPolarHBondContact O-CG 3.37Å; V483-L487 PolarHBondContact O-N 2.95Å; V483-V495 HydrophobicContact CG2-CB 4.15Å; V483-V495 HydrophobicContact CG2-CG2 3.69Å; V483-L505 HydrophobicContact CB-CD2 4.09Å; V483-L505 HydrophobicContact CG1-CD2 4.11Å; V483-L505 HydrophobicContact CG2-CD2 4.1Å; V483-F509 HydrophobicContact CG1-CB 4.39Å; V483-F509 HydrophobicContact CG1-CD2 3.93Å; V483-F509 HydrophobicContact CG1-CG 4.31Å; V483-I513 HydrophobicContact CG1-CD1 3.9Å; V483-I513 HydrophobicContact CG1-CG1 4.24Å; V483-I513 HydrophobicContact CG2-CD1 4.41Å |
| 484 | A | 98 | Very high | 95.9 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V480 S481 I482 Q486 L487 E488 F509 | V480-A484 WeakPolarHBondContact O-CB 3.5Å; V480-A484 PolarHBondContact O-N 2.98Å; S481-A484 PolarHBondContact O-N 3.05Å; I482-A484 VanDerWaalsContact C-N 3.35Å; I482-A484 PolarHBondContact O-N 3.27Å; A484-Q486 PolarHBondContact O-N 3.39Å; A484-L487 PolarHBondContact O-N 3.41Å; A484-E488 WeakPolarHBondContact O-CB 3.06Å; A484-E488 PolarHBondContact O-N 3.03Å; A484-F509 HydrophobicContact CB-CE2 3.93Å; A484-F509 HydrophobicContact CB-CZ 3.87Å |
| 485 | E | 97.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 179.5 | -175.6 | -175.8 | 166.4 | 0 | 0 | 112.3 | S481 I482 V483 E488 K489 | S481-E485 WeakPolarHBondContact O-CB 3.32Å; S481-E485 PolarHBondContact O-N 3.41Å; I482-E485 PolarHBondContact O-N 3.4Å; V483-E485 PolarHBondContact O-N 3.45Å; E485-E488 PolarHBondContact O-N 2.86Å; E485-K489 HydrophobicContact CG-CD 4.02Å; E485-K489 WeakPolarHBondContact O-CB 3.4Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.19Å; E485-K489 WeakPolarHBondContact OE1-CE 3.45Å; E485-K489 IonicContact OE1-NZ 2.82Å; E485-K489 PolarHBondContact OE1-NZ 3.49Å |
| 486 | Q | 96.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 178.6 | -73.9 | 179.8 | -39.3 | 0 | 0 | 112.2 | P453 I482 V483 A484 K489 N490 R491 S494 | P453-Q486 VanDerWaalsContact CB-NE2 3.32Å; I482-Q486 HydrophobicContact CG2-CG 4.35Å; I482-Q486 WeakPolarHBondContact O-CB 3.47Å; I482-Q486 VanDerWaalsContact O-CG 3.27Å; I482-Q486 WeakPolarHBondContact O-CG 3.49Å; I482-Q486 PolarHBondContact O-N 3.18Å; V483-Q486 PolarHBondContact O-N 3.44Å; A484-Q486 PolarHBondContact O-N 3.39Å; Q486-K489 CarbonylContact O-C 3.06Å; Q486-K489 PolarHBondContact O-N 2.99Å; Q486-N490 PolarHBondContact O-N 2.93Å; Q486-N490 VanDerWaalsContact O-N 3.15Å; Q486-R491 HydrophobicContact CB-CB 4.3Å; Q486-R491 PolarHBondContact O-N 2.99Å; Q486-S494 PolarHBondContact NE2-OG 2.76Å |
| 487 | L | 95.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.7 | -71.3 | 176.3 | 0 | 0 | 0 | 111.3 | V483 A484 N490 P493 F509 A512 R516 | V483-L487 HydrophobicContact CG1-CD1 3.85Å; V483-L487 HydrophobicContact CG1-CG 4.31Å; V483-L487 WeakPolarHBondContact O-CB 3.25Å; V483-L487 VanDerWaalsContact O-CG 3.3Å; V483-L487 WeakPolarHBondContact O-CG 3.37Å; V483-L487 PolarHBondContact O-N 2.95Å; A484-L487 PolarHBondContact O-N 3.41Å; L487-N490 PolarHBondContact O-N 2.88Å; L487-P493 HydrophobicContact CD2-CG 3.76Å; L487-P493 HydrophobicContact CG-CG 4.41Å; L487-F509 HydrophobicContact CD1-CB 4.46Å; L487-F509 HydrophobicContact CD1-CD1 3.89Å; L487-F509 HydrophobicContact CD1-CE1 4.29Å; L487-F509 HydrophobicContact CD1-CG 4.13Å; L487-A512 HydrophobicContact CD1-CB 4.02Å; L487-A512 HydrophobicContact CD2-CB 3.94Å; L487-R516 HydrophobicContact CD2-CG 4.3Å |
| 488 | E | 96.4 | Very high | 95.6 | Very high | 169 Ų | 169 | 54 Ų | 54 | 79% | 0.79 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.2 | -44 | 175.4 | -174.8 | 179.9 | -177.6 | 0 | 0 | 111.8 | A484 E485 N490 | A484-E488 WeakPolarHBondContact O-CB 3.06Å; A484-E488 PolarHBondContact O-N 3.03Å; E485-E488 PolarHBondContact O-N 2.86Å; E488-N490 PolarHBondContact O-N 2.92Å |
| 489 | K | 93.1 | Very high | 95.5 | Very high | 128 Ų | 128 | 50.4 Ų | 50.4 | 56% | 0.557 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 7.8 | 177.6 | -67.9 | 179.5 | 178.9 | 177.2 | 0 | 114 | E485 Q486 R491 | E485-K489 HydrophobicContact CG-CD 4.02Å; E485-K489 WeakPolarHBondContact O-CB 3.4Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.19Å; E485-K489 WeakPolarHBondContact OE1-CE 3.45Å; E485-K489 IonicContact OE1-NZ 2.82Å; E485-K489 PolarHBondContact OE1-NZ 3.49Å; Q486-K489 CarbonylContact O-C 3.06Å; Q486-K489 PolarHBondContact O-N 2.99Å; K489-R491 HydrophobicContact CB-CG 3.99Å; K489-R491 PolarHBondContact O-N 3.26Å; K489-R491 VanDerWaalsContact O-N 3.14Å |
| 490 | N | 89.8 | Confident | 95.5 | Very high | 115 Ų | 115 | 50.8 Ų | 50.8 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 28.2 | -178 | -161.5 | 42 | 0 | 0 | 0 | 114 | Q486 L487 E488 R516 | Q486-N490 PolarHBondContact O-N 2.93Å; Q486-N490 VanDerWaalsContact O-N 3.15Å; L487-N490 PolarHBondContact O-N 2.88Å; E488-N490 PolarHBondContact O-N 2.92Å; N490-R516 PolarHBondContact O-NH1 2.92Å; N490-R516 PolarHBondContact OD1-NH1 3.39Å; N490-R516 PolarHBondContact OD1-NH2 2.88Å |
| 491 | R | 86.7 | Confident | 95.3 | Very high | 170 Ų | 170 | 49.3 Ų | 49.3 | 64% | 0.642 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -88.4 | 154.3 | 177.9 | -64 | -69.4 | -68.5 | -150.9 | -3.1 | 110.4 | Q486 K489 P493 | Q486-R491 HydrophobicContact CB-CB 4.3Å; Q486-R491 PolarHBondContact O-N 2.99Å; K489-R491 HydrophobicContact CB-CG 3.99Å; K489-R491 PolarHBondContact O-N 3.26Å; K489-R491 VanDerWaalsContact O-N 3.14Å; R491-P493 WeakPolarHBondContact O-CD 3.26Å |
| 492 | L | 89.5 | Confident | 95.2 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 40% | 0.403 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 125.7 | 168.6 | -178.6 | 67.8 | 0 | 0 | 0 | 109 | S494 R516 L520 | L492-S494 PolarHBondContact O-N 3.36Å; L492-R516 HydrophobicContact CD1-CB 4.14Å; L492-L520 HydrophobicContact CD1-CD1 3.6Å; L492-L520 HydrophobicContact CD1-CD2 4.29Å; L492-L520 HydrophobicContact CD1-CG 3.97Å; L492-L520 HydrophobicContact CD2-CD1 3.72Å; L492-L520 HydrophobicContact CD2-CD2 4.37Å; L492-L520 HydrophobicContact CG-CD1 4.31Å |
| 493 | P | 95.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 135.8 | 176.7 | -27.4 | 38.9 | 0 | 0 | 0 | 112.1 | L487 R491 V495 I513 R516 | L487-P493 HydrophobicContact CD2-CG 3.76Å; L487-P493 HydrophobicContact CG-CG 4.41Å; R491-P493 WeakPolarHBondContact O-CD 3.26Å; P493-V495 PolarHBondContact O-N 3.45Å; P493-I513 HydrophobicContact CB-CG1 3.83Å; P493-I513 HydrophobicContact CB-CG2 4.37Å; P493-I513 HydrophobicContact CG-CB 4.44Å; P493-I513 HydrophobicContact CG-CG1 3.9Å; P493-R516 HydrophobicContact CG-CB 4.49Å; P493-R516 HydrophobicContact CG-CG 4.29Å |
| 494 | S | 95.9 | Very high | 95 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -70.3 | -19.8 | 176.2 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | D454 C457 Q486 L492 H496 | D454-S494 WeakPolarHBondContact CA-OG 3.4Å; D454-S494 PolarHBondContact N-OG 3.38Å; D454-S494 VanDerWaalsContact OD1-CB 3.25Å; D454-S494 WeakPolarHBondContact OD1-CB 3.28Å; D454-S494 PolarHBondContact OD1-OG 2.51Å; C457-S494 VanDerWaalsContact SG-CB 3.57Å; Q486-S494 PolarHBondContact NE2-OG 2.76Å; L492-S494 PolarHBondContact O-N 3.36Å; S494-H496 PolarHBondContact O-N 3.24Å |
| 495 | V | 97.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -81 | 112.1 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 109.1 | C457 V483 P493 H499 Y503 L505 I513 | C457-V495 HydrophobicContact CB-CG2 4.27Å; V483-V495 HydrophobicContact CG2-CB 4.15Å; V483-V495 HydrophobicContact CG2-CG2 3.69Å; P493-V495 PolarHBondContact O-N 3.45Å; V495-H499 HydrophobicContact CG1-CB 4.33Å; V495-Y503 HydrophobicContact CB-CE2 4.49Å; V495-Y503 HydrophobicContact CG1-CD2 3.78Å; V495-Y503 HydrophobicContact CG1-CE2 3.74Å; V495-Y503 HydrophobicContact CG2-CD2 4.12Å; V495-Y503 HydrophobicContact CG2-CE2 3.96Å; V495-L505 HydrophobicContact CG1-CD1 4.44Å; V495-I513 HydrophobicContact CB-CD1 4.36Å; V495-I513 HydrophobicContact CG1-CD1 4.28Å; V495-I513 WeakPolarHBondContact O-CG2 3.38Å |
| 496 | H | 95.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | trans | -60.8 | 143.9 | 171.9 | -172.2 | -98.2 | 0 | 0 | 0 | 111.5 | S494 H498 H499 S500 Y632 | S494-H496 PolarHBondContact O-N 3.24Å; H496-H498 VanDerWaalsContact C-N 3.28Å; H496-H498 WeakPolarHBondContact ND1-CB 3.49Å; H496-H498 PolarHBondContact ND1-N 3.37Å; H496-H498 PolarHBondContact O-N 3.5Å; H496-H498 VanDerWaalsContact O-N 3.17Å; H496-H499 PolarHBondContact O-N 3.5Å; H496-S500 PolarHBondContact O-N 3.06Å; H496-Y632 PolarHBondContact CE1-O 3.07Å; H496-Y632 VanDerWaalsContact CE1-O 3.3Å | ||
| 497 | P | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -53.2 | -41.7 | -177.4 | -28.5 | 34.2 | 0 | 0 | 0 | 113.6 | H499 S500 I513 H517 Y632 Y655 | P497-H499 PolarHBondContact O-N 2.88Å; P497-S500 VanDerWaalsContact O-CB 3.26Å; P497-S500 WeakPolarHBondContact O-CB 3.5Å; P497-S500 PolarHBondContact O-N 3.28Å; P497-S500 PolarHBondContact O-OG 3.25Å; P497-I513 HydrophobicContact CB-CG2 4.49Å; P497-I513 HydrophobicContact CG-CG2 4.06Å; P497-H517 HydrophobicContact CG-CB 3.81Å; P497-Y632 HydrophobicContact CB-CD2 3.35Å; P497-Y632 HydrophobicContact CB-CE2 3.94Å; P497-Y632 HydrophobicContact CB-CG 3.72Å; P497-Y632 HydrophobicContact CG-CD1 4.11Å; P497-Y632 HydrophobicContact CG-CD2 3.63Å; P497-Y632 HydrophobicContact CG-CE1 4.43Å; P497-Y632 HydrophobicContact CG-CE2 3.94Å; P497-Y632 HydrophobicContact CG-CG 3.72Å; P497-Y655 VanDerWaalsContact CB-OH 3.23Å; P497-Y655 WeakPolarHBondContact CB-OH 3.32Å; P497-Y655 PolarHBondContact O-OH 2.99Å |
| 498 | H | 94.7 | Very high | 95 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -61.8 | -27.4 | 177 | -166.7 | 73.8 | 0 | 0 | 0 | 113.8 | H496 M501 Y655 | H496-H498 VanDerWaalsContact C-N 3.28Å; H496-H498 WeakPolarHBondContact ND1-CB 3.49Å; H496-H498 PolarHBondContact ND1-N 3.37Å; H496-H498 PolarHBondContact O-N 3.5Å; H496-H498 VanDerWaalsContact O-N 3.17Å; H498-M501 VanDerWaalsContact O-CG 3.28Å; H498-M501 WeakPolarHBondContact O-CG 3.16Å; H498-Y655 HydrophobicContact CB-CE2 4.02Å; H498-Y655 PolarHBondContact N-OH 3.26Å; H498-Y655 AromaticContact ND1-CD2 3.97Å; H498-Y655 AromaticContact ND1-CE2 3.75Å |
| 499 | H | 96.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -85.7 | -16.8 | 177.7 | -51.9 | 157.4 | 0 | 0 | 0 | 112 | H461 V495 H496 P497 M501 L502 Y503 | H461-H499 AromaticContact CD2-CD2 3.55Å; H461-H499 AromaticContact CD2-CE1 3.87Å; H461-H499 AromaticContact CD2-CG 3.64Å; H461-H499 AromaticContact CD2-ND1 3.82Å; H461-H499 AromaticContact CD2-NE2 3.74Å; H461-H499 AromaticContact CE1-CD2 3.78Å; H461-H499 AromaticContact CE1-CE1 3.64Å; H461-H499 AromaticContact CE1-NE2 3.26Å; H461-H499 PolarHBondContact CE1-NE2 3.29Å; H461-H499 VanDerWaalsContact CE1-NE2 3.26Å; H461-H499 AromaticContact CG-CE1 3.71Å; H461-H499 AromaticContact CG-ND1 3.79Å; H461-H499 AromaticContact CG-NE2 3.97Å; H461-H499 AromaticContact ND1-CE1 3.59Å; H461-H499 AromaticContact ND1-NE2 3.71Å; H461-H499 AromaticContact NE2-CD2 3.29Å; H461-H499 PolarHBondContact NE2-CD2 3.17Å; H461-H499 VanDerWaalsContact NE2-CD2 3.29Å; H461-H499 AromaticContact NE2-CE1 3.83Å; H461-H499 AromaticContact NE2-CG 3.9Å; H461-H499 AromaticContact NE2-NE2 3.29Å; H461-H499 PolarHBondContact NE2-NE2 3.39Å; V495-H499 HydrophobicContact CG1-CB 4.33Å; H496-H499 PolarHBondContact O-N 3.5Å; P497-H499 PolarHBondContact O-N 2.88Å; H499-M501 PolarHBondContact O-N 3.49Å; H499-M501 VanDerWaalsContact O-N 3.15Å; H499-L502 VanDerWaalsContact O-CB 3.31Å; H499-L502 WeakPolarHBondContact O-CB 3.44Å; H499-L502 PolarHBondContact O-N 3.04Å; H499-Y503 HydrophobicContact CB-CE2 3.89Å; H499-Y503 WeakPolarHBondContact O-CD2 3.43Å |
| 500 | S | 96.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -61.2 | -26.4 | -174.6 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | H496 P497 L502 Y503 R510 | H496-S500 PolarHBondContact O-N 3.06Å; P497-S500 VanDerWaalsContact O-CB 3.26Å; P497-S500 WeakPolarHBondContact O-CB 3.5Å; P497-S500 PolarHBondContact O-N 3.28Å; P497-S500 PolarHBondContact O-OG 3.25Å; S500-L502 VanDerWaalsContact C-N 3.27Å; S500-L502 PolarHBondContact O-N 2.89Å; S500-Y503 PolarHBondContact O-N 3.35Å; S500-R510 PolarHBondContact O-NE 2.89Å |
| 501 | M | 94 | Very high | 95.7 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -70.7 | -19.8 | 174.3 | 59 | -172.4 | -79.8 | 0 | 0 | 113.7 | H498 H499 Y503 P656 L916 C917 A942 | H498-M501 VanDerWaalsContact O-CG 3.28Å; H498-M501 WeakPolarHBondContact O-CG 3.16Å; H499-M501 PolarHBondContact O-N 3.49Å; H499-M501 VanDerWaalsContact O-N 3.15Å; M501-Y503 VanDerWaalsContact C-N 3.32Å; M501-P656 HydrophobicContact SD-CG 4.22Å; M501-L916 WeakPolarHBondContact O-CD1 3.5Å; M501-C917 HydrophobicContact CE-CB 3.36Å; M501-C917 WeakPolarHBondContact CE-SG 3.41Å; M501-A942 HydrophobicContact CE-CB 3.19Å; M501-A942 HydrophobicContact SD-CB 3.91Å |
| 502 | L | 95.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -83.9 | -14.8 | -179.6 | -51.7 | -179.9 | 0 | 0 | 0 | 112.3 | Q464 H499 S500 Y841 L916 | Q464-L502 HydrophobicContact CG-CD1 4.2Å; H499-L502 VanDerWaalsContact O-CB 3.31Å; H499-L502 WeakPolarHBondContact O-CB 3.44Å; H499-L502 PolarHBondContact O-N 3.04Å; S500-L502 VanDerWaalsContact C-N 3.27Å; S500-L502 PolarHBondContact O-N 2.89Å; L502-Y841 HydrophobicContact CD1-CD2 3.72Å; L502-Y841 HydrophobicContact CD1-CE2 4.25Å; L502-Y841 HydrophobicContact CD2-CD2 3.6Å; L502-Y841 HydrophobicContact CD2-CE2 3.75Å; L502-Y841 HydrophobicContact CG-CD2 4.32Å; L502-L916 HydrophobicContact CD2-CD2 4.34Å |
| 503 | Y | 96.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 148.5 | -173.4 | -50 | -40.1 | 0 | 0 | 0 | 110.4 | M476 L479 V495 H499 S500 M501 L505 R510 | M476-Y503 HydrophobicContact CE-CD1 4.35Å; M476-Y503 HydrophobicContact CE-CE1 4.49Å; M476-Y503 HydrophobicContact SD-CD1 3.81Å; L479-Y503 HydrophobicContact CD1-CD1 3.73Å; L479-Y503 HydrophobicContact CD1-CD2 4.31Å; L479-Y503 HydrophobicContact CD1-CE1 3.72Å; L479-Y503 HydrophobicContact CD1-CE2 4.28Å; L479-Y503 HydrophobicContact CD1-CG 4.05Å; V495-Y503 HydrophobicContact CB-CE2 4.49Å; V495-Y503 HydrophobicContact CG1-CD2 3.78Å; V495-Y503 HydrophobicContact CG1-CE2 3.74Å; V495-Y503 HydrophobicContact CG2-CD2 4.12Å; V495-Y503 HydrophobicContact CG2-CE2 3.96Å; H499-Y503 HydrophobicContact CB-CE2 3.89Å; H499-Y503 WeakPolarHBondContact O-CD2 3.43Å; S500-Y503 PolarHBondContact O-N 3.35Å; M501-Y503 VanDerWaalsContact C-N 3.32Å; Y503-L505 HydrophobicContact CD2-CD1 4.43Å; Y503-L505 PolarHBondContact O-N 2.91Å; Y503-R510 PolarHBondContact O-NH2 3.23Å; Y503-R510 VanDerWaalsContact O-NH2 3.14Å |
| 504 | P | 95.4 | Very high | 96.7 | Very high | 85 Ų | 85 | 28 Ų | 28 | 55% | 0.552 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 56.4 | 179.2 | 33.7 | -36.5 | 0 | 0 | 0 | 111.4 | M476 V480 | M476-P504 HydrophobicContact CB-CG 4.14Å; V480-P504 HydrophobicContact CG2-CG 4.43Å |
| 505 | L | 96.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | trans | -84.4 | 150.9 | 175.6 | -65.1 | 166.8 | 0 | 0 | 0 | 110.1 | V480 V483 V495 Y503 F509 R510 I513 | V480-L505 HydrophobicContact CB-CD2 4.5Å; V480-L505 HydrophobicContact CG2-CD2 4.05Å; V483-L505 HydrophobicContact CB-CD2 4.09Å; V483-L505 HydrophobicContact CG1-CD2 4.11Å; V483-L505 HydrophobicContact CG2-CD2 4.1Å; V495-L505 HydrophobicContact CG1-CD1 4.44Å; Y503-L505 HydrophobicContact CD2-CD1 4.43Å; Y503-L505 PolarHBondContact O-N 2.91Å; L505-F509 HydrophobicContact CB-CB 4.22Å; L505-F509 HydrophobicContact CD2-CB 4.48Å; L505-F509 HydrophobicContact CD2-CD2 3.96Å; L505-R510 HydrophobicContact CB-CG 4.05Å; L505-R510 PolarHBondContact O-NH1 3.46Å; L505-R510 PolarHBondContact O-NH2 2.96Å; L505-I513 HydrophobicContact CD1-CD1 3.81Å | ||
| 506 | S | 97.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 42% | 0.42 | 18% | 0.183 | S | C | . | . | trans | -66.2 | 158.2 | 170.9 | 70.8 | 0 | 0 | 0 | 0 | 111 | G508 F509 R510 | S506-G508 VanDerWaalsContact C-N 3.28Å; S506-G508 PolarHBondContact O-N 2.89Å; S506-F509 PolarHBondContact O-N 2.65Å; S506-F509 VanDerWaalsContact O-N 3.13Å; S506-F509 WeakPolarHBondContact OG-CB 3.5Å; S506-F509 WeakPolarHBondContact OG-CD1 3.44Å; S506-F509 WeakPolarHBondContact OG-CG 3.34Å; S506-F509 PolarHBondContact OG-N 2.91Å; S506-F509 VanDerWaalsContact OG-N 3.11Å; S506-R510 PolarHBondContact O-N 2.94Å | ||
| 507 | H | 96.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 32.1 Ų | 32.1 | 15% | 0.148 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.7 | -42.4 | 173.6 | -62.1 | -41.6 | 0 | 0 | 0 | 112.7 | F509 R510 K511 E680 Q681 E939 | H507-F509 VanDerWaalsContact C-N 3.29Å; H507-F509 PolarHBondContact O-N 2.99Å; H507-R510 PolarHBondContact ND1-NH1 3.48Å; H507-R510 PolarHBondContact O-N 3.02Å; H507-K511 PolarHBondContact O-N 3.28Å; H507-E680 IonicContact CD2-OE1 3.76Å; H507-Q681 HydrophobicContact CB-CB 4.38Å; H507-Q681 HydrophobicContact CB-CG 3.74Å; H507-Q681 VanDerWaalsContact CE1-CD 3.43Å; H507-Q681 PolarHBondContact CE1-NE2 2.67Å; H507-Q681 VanDerWaalsContact CG-CG 3.47Å; H507-Q681 PolarHBondContact ND1-NE2 3.01Å; H507-Q681 PolarHBondContact ND1-OE1 3.25Å; H507-Q681 PolarHBondContact NE2-NE2 3.49Å; H507-E939 IonicContact CE1-OE2 3.63Å; H507-E939 PolarHBondContact CE1-OE2 2.94Å; H507-E939 VanDerWaalsContact CE1-OE2 3.3Å; H507-E939 IonicContact NE2-OE2 2.74Å; H507-E939 PolarHBondContact NE2-OE2 3.35Å |
| 508 | G | 96.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 32 Ų | 32 | 44% | 0.443 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.9 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S506 K511 A512 | S506-G508 VanDerWaalsContact C-N 3.28Å; S506-G508 PolarHBondContact O-N 2.89Å; G508-K511 PolarHBondContact O-N 3.34Å; G508-A512 VanDerWaalsContact O-CB 3.26Å; G508-A512 WeakPolarHBondContact O-CB 3.49Å; G508-A512 PolarHBondContact O-N 2.93Å |
| 509 | F | 98.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 32.2 Ų | 32.2 | 26% | 0.259 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.6 | -44.4 | 177 | -76.8 | 9.2 | 0 | 0 | 0 | 112.2 | V480 V483 A484 L487 L505 S506 H507 K511 A512 I513 | V480-F509 HydrophobicContact CG1-CE2 4.45Å; V483-F509 HydrophobicContact CG1-CB 4.39Å; V483-F509 HydrophobicContact CG1-CD2 3.93Å; V483-F509 HydrophobicContact CG1-CG 4.31Å; A484-F509 HydrophobicContact CB-CE2 3.93Å; A484-F509 HydrophobicContact CB-CZ 3.87Å; L487-F509 HydrophobicContact CD1-CB 4.46Å; L487-F509 HydrophobicContact CD1-CD1 3.89Å; L487-F509 HydrophobicContact CD1-CE1 4.29Å; L487-F509 HydrophobicContact CD1-CG 4.13Å; L505-F509 HydrophobicContact CB-CB 4.22Å; L505-F509 HydrophobicContact CD2-CB 4.48Å; L505-F509 HydrophobicContact CD2-CD2 3.96Å; S506-F509 PolarHBondContact O-N 2.65Å; S506-F509 VanDerWaalsContact O-N 3.13Å; S506-F509 WeakPolarHBondContact OG-CB 3.5Å; S506-F509 WeakPolarHBondContact OG-CD1 3.44Å; S506-F509 WeakPolarHBondContact OG-CG 3.34Å; S506-F509 PolarHBondContact OG-N 2.91Å; S506-F509 VanDerWaalsContact OG-N 3.11Å; H507-F509 VanDerWaalsContact C-N 3.29Å; H507-F509 PolarHBondContact O-N 2.99Å; F509-K511 VanDerWaalsContact C-N 3.33Å; F509-K511 PolarHBondContact O-N 2.89Å; F509-A512 PolarHBondContact O-N 3.34Å; F509-I513 WeakPolarHBondContact O-CB 3.38Å; F509-I513 WeakPolarHBondContact O-CG1 3.45Å; F509-I513 PolarHBondContact O-N 3.46Å |
| 510 | R | 98.1 | Very high | 96 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 13% | 0.128 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 177.7 | -62.1 | -166.2 | -169.2 | 93.5 | -2.2 | 111.6 | S500 Y503 L505 S506 H507 I513 A514 | S500-R510 PolarHBondContact O-NE 2.89Å; Y503-R510 PolarHBondContact O-NH2 3.23Å; Y503-R510 VanDerWaalsContact O-NH2 3.14Å; L505-R510 HydrophobicContact CB-CG 4.05Å; L505-R510 PolarHBondContact O-NH1 3.46Å; L505-R510 PolarHBondContact O-NH2 2.96Å; S506-R510 PolarHBondContact O-N 2.94Å; H507-R510 PolarHBondContact ND1-NH1 3.48Å; H507-R510 PolarHBondContact O-N 3.02Å; R510-I513 PolarHBondContact O-N 3.24Å; R510-A514 WeakPolarHBondContact O-CB 3.41Å; R510-A514 PolarHBondContact O-N 3.24Å |
| 511 | K | 98.2 | Very high | 95.7 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 29% | 0.291 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.4 | -170.1 | 171 | 70 | -176.6 | 0 | 111.8 | H507 G508 F509 A514 E515 E680 | H507-K511 PolarHBondContact O-N 3.28Å; G508-K511 PolarHBondContact O-N 3.34Å; F509-K511 VanDerWaalsContact C-N 3.33Å; F509-K511 PolarHBondContact O-N 2.89Å; K511-A514 WeakPolarHBondContact O-CB 3.4Å; K511-A514 PolarHBondContact O-N 2.87Å; K511-E515 WeakPolarHBondContact O-CB 3.39Å; K511-E515 PolarHBondContact O-N 3.26Å; K511-E680 WeakPolarHBondContact CE-O 2.96Å; K511-E680 PolarHBondContact NZ-O 3.36Å |
| 512 | A | 97.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L487 G508 F509 A514 E515 R516 | L487-A512 HydrophobicContact CD1-CB 4.02Å; L487-A512 HydrophobicContact CD2-CB 3.94Å; G508-A512 VanDerWaalsContact O-CB 3.26Å; G508-A512 WeakPolarHBondContact O-CB 3.49Å; G508-A512 PolarHBondContact O-N 2.93Å; F509-A512 PolarHBondContact O-N 3.34Å; A512-A514 VanDerWaalsContact C-N 3.35Å; A512-E515 PolarHBondContact O-N 3.14Å; A512-R516 WeakPolarHBondContact O-CG 3.31Å; A512-R516 PolarHBondContact O-N 3.2Å |
| 513 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -51.4 | 172.3 | -70 | 164 | 0 | 0 | 0 | 109.9 | V483 P493 V495 P497 L505 F509 R510 E515 R516 H517 | V483-I513 HydrophobicContact CG1-CD1 3.9Å; V483-I513 HydrophobicContact CG1-CG1 4.24Å; V483-I513 HydrophobicContact CG2-CD1 4.41Å; P493-I513 HydrophobicContact CB-CG1 3.83Å; P493-I513 HydrophobicContact CB-CG2 4.37Å; P493-I513 HydrophobicContact CG-CB 4.44Å; P493-I513 HydrophobicContact CG-CG1 3.9Å; V495-I513 HydrophobicContact CB-CD1 4.36Å; V495-I513 HydrophobicContact CG1-CD1 4.28Å; V495-I513 WeakPolarHBondContact O-CG2 3.38Å; P497-I513 HydrophobicContact CB-CG2 4.49Å; P497-I513 HydrophobicContact CG-CG2 4.06Å; L505-I513 HydrophobicContact CD1-CD1 3.81Å; F509-I513 WeakPolarHBondContact O-CB 3.38Å; F509-I513 WeakPolarHBondContact O-CG1 3.45Å; F509-I513 PolarHBondContact O-N 3.46Å; R510-I513 PolarHBondContact O-N 3.24Å; I513-E515 VanDerWaalsContact C-N 3.32Å; I513-E515 PolarHBondContact O-N 2.83Å; I513-R516 PolarHBondContact O-N 3.38Å; I513-H517 PolarHBondContact O-CD2 3.43Å; I513-H517 VanDerWaalsContact O-CD2 3.28Å; I513-H517 PolarHBondContact O-N 3.48Å; I513-H517 VanDerWaalsContact O-N 3.12Å |
| 514 | A | 98 | Very high | 94.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R510 K511 A512 R516 H517 G518 Y632 T658 S659 | R510-A514 WeakPolarHBondContact O-CB 3.41Å; R510-A514 PolarHBondContact O-N 3.24Å; K511-A514 WeakPolarHBondContact O-CB 3.4Å; K511-A514 PolarHBondContact O-N 2.87Å; A512-A514 VanDerWaalsContact C-N 3.35Å; A514-R516 PolarHBondContact O-N 3.15Å; A514-H517 PolarHBondContact O-N 3.28Å; A514-G518 PolarHBondContact O-N 3.36Å; A514-Y632 HydrophobicContact CB-CE2 4.05Å; A514-Y632 PolarHBondContact O-OH 3.08Å; A514-T658 HydrophobicContact CB-CG2 4.03Å; A514-S659 CarbonylContact C-O 3.58Å; A514-S659 WeakPolarHBondContact CB-O 3.35Å; A514-S659 VanDerWaalsContact O-O 3.12Å |
| 515 | E | 97.6 | Very high | 94.1 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 39% | 0.393 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.5 | -175.3 | -171.2 | 169.3 | 0 | 0 | 112.5 | K511 A512 I513 H517 G518 N519 G660 | K511-E515 WeakPolarHBondContact O-CB 3.39Å; K511-E515 PolarHBondContact O-N 3.26Å; A512-E515 PolarHBondContact O-N 3.14Å; I513-E515 VanDerWaalsContact C-N 3.32Å; I513-E515 PolarHBondContact O-N 2.83Å; E515-H517 VanDerWaalsContact C-N 3.29Å; E515-H517 PolarHBondContact O-N 3.15Å; E515-G518 WeakPolarHBondContact O-CA 3.41Å; E515-G518 PolarHBondContact O-N 3.01Å; E515-G518 VanDerWaalsContact O-N 3.11Å; E515-N519 PolarHBondContact O-N 2.99Å; E515-G660 VanDerWaalsContact CA-O 3.25Å; E515-G660 WeakPolarHBondContact CA-O 3.42Å; E515-G660 WeakPolarHBondContact CB-O 3.26Å |
| 516 | R | 94.9 | Very high | 93.7 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 177 | -63.2 | -39.5 | -175 | 95.8 | -6.5 | 112 | L487 N490 L492 P493 A512 I513 A514 N519 L520 | L487-R516 HydrophobicContact CD2-CG 4.3Å; N490-R516 PolarHBondContact O-NH1 2.92Å; N490-R516 PolarHBondContact OD1-NH1 3.39Å; N490-R516 PolarHBondContact OD1-NH2 2.88Å; L492-R516 HydrophobicContact CD1-CB 4.14Å; P493-R516 HydrophobicContact CG-CB 4.49Å; P493-R516 HydrophobicContact CG-CG 4.29Å; A512-R516 WeakPolarHBondContact O-CG 3.31Å; A512-R516 PolarHBondContact O-N 3.2Å; I513-R516 PolarHBondContact O-N 3.38Å; A514-R516 PolarHBondContact O-N 3.15Å; R516-N519 PolarHBondContact O-N 3.43Å; R516-L520 PolarHBondContact O-N 2.99Å; R516-L520 VanDerWaalsContact O-N 3.16Å |
| 517 | H | 94.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 48.4 Ų | 48.4 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.1 | -34 | 175.2 | -82 | -98.8 | 0 | 0 | 0 | 112.6 | P497 I513 A514 E515 N519 L520 Y632 | P497-H517 HydrophobicContact CG-CB 3.81Å; I513-H517 PolarHBondContact O-CD2 3.43Å; I513-H517 VanDerWaalsContact O-CD2 3.28Å; I513-H517 PolarHBondContact O-N 3.48Å; I513-H517 VanDerWaalsContact O-N 3.12Å; A514-H517 PolarHBondContact O-N 3.28Å; E515-H517 VanDerWaalsContact C-N 3.29Å; E515-H517 PolarHBondContact O-N 3.15Å; H517-N519 VanDerWaalsContact C-N 3.35Å; H517-L520 WeakPolarHBondContact O-CB 3.28Å; H517-L520 PolarHBondContact O-N 2.93Å; H517-Y632 HydrophobicContact CB-CD1 4.3Å; H517-Y632 HydrophobicContact CB-CE1 3.65Å |
| 518 | G | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A514 E515 L520 C521 L522 Y632 | A514-G518 PolarHBondContact O-N 3.36Å; E515-G518 WeakPolarHBondContact O-CA 3.41Å; E515-G518 PolarHBondContact O-N 3.01Å; E515-G518 VanDerWaalsContact O-N 3.11Å; G518-L520 VanDerWaalsContact C-N 3.34Å; G518-L520 PolarHBondContact O-N 3.38Å; G518-C521 VanDerWaalsContact O-CB 3.22Å; G518-C521 WeakPolarHBondContact O-CB 3.5Å; G518-C521 PolarHBondContact O-N 3.29Å; G518-L522 PolarHBondContact O-N 3.45Å; G518-Y632 WeakPolarHBondContact CA-OH 3.32Å; G518-Y632 PolarHBondContact N-OH 3.47Å; G518-Y632 VanDerWaalsContact N-OH 3.1Å |
| 519 | N | 91.7 | Very high | 92 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 178.2 | -68.7 | -14.4 | 0 | 0 | 0 | 113 | E515 R516 H517 C521 L522 D523 | E515-N519 PolarHBondContact O-N 2.99Å; R516-N519 PolarHBondContact O-N 3.43Å; H517-N519 VanDerWaalsContact C-N 3.35Å; N519-C521 PolarHBondContact O-N 2.88Å; N519-L522 WeakPolarHBondContact O-CA 3.33Å; N519-L522 WeakPolarHBondContact O-CB 3.47Å; N519-L522 PolarHBondContact O-N 3.27Å; N519-D523 PolarHBondContact O-N 3.01Å |
| 520 | L | 88 | Confident | 91.7 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.4 | -33.7 | 169.9 | -67 | 177.3 | 0 | 0 | 0 | 112.3 | L492 R516 H517 G518 K524 | L492-L520 HydrophobicContact CD1-CD1 3.6Å; L492-L520 HydrophobicContact CD1-CD2 4.29Å; L492-L520 HydrophobicContact CD1-CG 3.97Å; L492-L520 HydrophobicContact CD2-CD1 3.72Å; L492-L520 HydrophobicContact CD2-CD2 4.37Å; L492-L520 HydrophobicContact CG-CD1 4.31Å; R516-L520 PolarHBondContact O-N 2.99Å; R516-L520 VanDerWaalsContact O-N 3.16Å; H517-L520 WeakPolarHBondContact O-CB 3.28Å; H517-L520 PolarHBondContact O-N 2.93Å; G518-L520 VanDerWaalsContact C-N 3.34Å; G518-L520 PolarHBondContact O-N 3.38Å; L520-K524 WeakPolarHBondContact O-CG 3.22Å; L520-K524 PolarHBondContact O-N 3.35Å |
| 521 | C | 91.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | G518 N519 K524 I525 E639 A642 F663 | G518-C521 VanDerWaalsContact O-CB 3.22Å; G518-C521 WeakPolarHBondContact O-CB 3.5Å; G518-C521 PolarHBondContact O-N 3.29Å; N519-C521 PolarHBondContact O-N 2.88Å; C521-K524 PolarHBondContact O-N 3.05Å; C521-I525 WeakPolarHBondContact O-CG1 3.44Å; C521-I525 WeakPolarHBondContact O-CG2 3.47Å; C521-I525 PolarHBondContact O-N 3.43Å; C521-I525 VanDerWaalsContact O-N 3.13Å; C521-E639 HydrophobicContact CB-CG 4.08Å; C521-A642 HydrophobicContact CB-CB 4.16Å; C521-F663 HydrophobicContact CB-CE1 4.35Å; C521-F663 HydrophobicContact CB-CZ 4.43Å |
| 522 | L | 91 | Very high | 91.6 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 29% | 0.293 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 174.7 | -62.2 | 176.8 | 0 | 0 | 0 | 111.3 | G518 N519 K524 I525 N526 A642 F663 | G518-L522 PolarHBondContact O-N 3.45Å; N519-L522 WeakPolarHBondContact O-CA 3.33Å; N519-L522 WeakPolarHBondContact O-CB 3.47Å; N519-L522 PolarHBondContact O-N 3.27Å; L522-K524 VanDerWaalsContact C-N 3.27Å; L522-K524 PolarHBondContact O-N 3.3Å; L522-I525 HydrophobicContact CD2-CD1 4.24Å; L522-I525 WeakPolarHBondContact O-CG1 3.31Å; L522-I525 PolarHBondContact O-N 2.89Å; L522-I525 VanDerWaalsContact O-N 3.08Å; L522-N526 WeakPolarHBondContact O-CB 3.5Å; L522-N526 PolarHBondContact O-N 3.31Å; L522-N526 PolarHBondContact O-ND2 3.47Å; L522-N526 PolarHBondContact O-OD1 3.41Å; L522-A642 HydrophobicContact CD2-CB 4.13Å; L522-F663 HydrophobicContact CD2-CD1 4.17Å |
| 523 | D | 83.3 | Confident | 91.6 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.5 | -42.1 | 178.6 | -65.5 | -22.9 | 0 | 0 | 0 | 111.5 | N519 I525 | N519-D523 PolarHBondContact O-N 3.01Å; D523-I525 PolarHBondContact O-N 3Å |
| 524 | K | 84.7 | Confident | 91.6 | Very high | 116 Ų | 116 | 69.6 Ų | 69.6 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.6 | -26.5 | 177.3 | -73.8 | 178.4 | -178 | -176.9 | 0 | 114.7 | L520 C521 L522 V527 E639 | L520-K524 WeakPolarHBondContact O-CG 3.22Å; L520-K524 PolarHBondContact O-N 3.35Å; C521-K524 PolarHBondContact O-N 3.05Å; L522-K524 VanDerWaalsContact C-N 3.27Å; L522-K524 PolarHBondContact O-N 3.3Å; K524-V527 VanDerWaalsContact O-CG2 3.31Å; K524-V527 WeakPolarHBondContact O-CG2 3.2Å; K524-E639 HydrophobicContact CB-CG 4.07Å; K524-E639 HydrophobicContact CD-CG 3.98Å; K524-E639 WeakPolarHBondContact CD-OE1 3.32Å; K524-E639 IonicContact NZ-OE1 2.77Å; K524-E639 PolarHBondContact NZ-OE1 2.95Å |
| 525 | I | 89.8 | Confident | 91.6 | Very high | 17 Ų | 17 | 71.9 Ų | 71.9 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -91.9 | -24 | 178.7 | 63.7 | 158.5 | 0 | 0 | 0 | 112.4 | C521 L522 D523 V527 L528 E639 A642 L643 | C521-I525 WeakPolarHBondContact O-CG1 3.44Å; C521-I525 WeakPolarHBondContact O-CG2 3.47Å; C521-I525 PolarHBondContact O-N 3.43Å; C521-I525 VanDerWaalsContact O-N 3.13Å; L522-I525 HydrophobicContact CD2-CD1 4.24Å; L522-I525 WeakPolarHBondContact O-CG1 3.31Å; L522-I525 PolarHBondContact O-N 2.89Å; L522-I525 VanDerWaalsContact O-N 3.08Å; D523-I525 PolarHBondContact O-N 3Å; I525-V527 PolarHBondContact O-N 3.5Å; I525-L528 VanDerWaalsContact O-CB 3.28Å; I525-L528 WeakPolarHBondContact O-CB 3.41Å; I525-L528 PolarHBondContact O-N 2.96Å; I525-E639 HydrophobicContact CG2-CB 3.7Å; I525-E639 HydrophobicContact CG2-CG 4.26Å; I525-E639 WeakPolarHBondContact CG2-O 3.46Å; I525-A642 VanDerWaalsContact CD1-C 3.46Å; I525-A642 HydrophobicContact CD1-CB 3.6Å; I525-A642 WeakPolarHBondContact CD1-O 3.05Å; I525-A642 HydrophobicContact CG1-CB 4.27Å; I525-A642 HydrophobicContact CG2-CB 4.42Å; I525-L643 HydrophobicContact CB-CD2 4.01Å; I525-L643 HydrophobicContact CB-CG 4.11Å; I525-L643 HydrophobicContact CD1-CD2 4.03Å; I525-L643 HydrophobicContact CD1-CG 4.09Å; I525-L643 HydrophobicContact CG2-CD1 4.22Å; I525-L643 HydrophobicContact CG2-CD2 4.34Å; I525-L643 HydrophobicContact CG2-CG 3.89Å |
| 526 | N | 87.4 | Confident | 91.6 | Very high | 95 Ų | 95 | 69 Ų | 69 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.5 | -34.4 | -180 | -77.4 | -21.9 | 0 | 0 | 0 | 112 | L522 L528 H529 | L522-N526 WeakPolarHBondContact O-CB 3.5Å; L522-N526 PolarHBondContact O-N 3.31Å; L522-N526 PolarHBondContact O-ND2 3.47Å; L522-N526 PolarHBondContact O-OD1 3.41Å; N526-L528 PolarHBondContact O-N 3.32Å; N526-H529 PolarHBondContact O-N 3.02Å; N526-H529 VanDerWaalsContact O-N 3.09Å; N526-H529 PolarHBondContact O-ND1 3.48Å |
| 527 | V | 81 | Confident | 91.6 | Very high | 84 Ų | 84 | 73.2 Ų | 73.2 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.4 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 113.7 | K524 I525 H529 | K524-V527 VanDerWaalsContact O-CG2 3.31Å; K524-V527 WeakPolarHBondContact O-CG2 3.2Å; I525-V527 PolarHBondContact O-N 3.5Å; V527-H529 VanDerWaalsContact C-N 3.34Å; V527-H529 PolarHBondContact O-CD2 3.37Å |
| 528 | L | 85.3 | Confident | 91.8 | Very high | 65 Ų | 65 | 74.8 Ų | 74.8 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.8 | 176.8 | -55 | 177.8 | 0 | 0 | 0 | 112.1 | I525 N526 K530 L643 | I525-L528 VanDerWaalsContact O-CB 3.28Å; I525-L528 WeakPolarHBondContact O-CB 3.41Å; I525-L528 PolarHBondContact O-N 2.96Å; N526-L528 PolarHBondContact O-N 3.32Å; L528-K530 HydrophobicContact CB-CD 4.37Å; L528-K530 HydrophobicContact CB-CG 4.07Å; L528-K530 PolarHBondContact O-N 2.93Å; L528-L643 HydrophobicContact CD1-CD1 4.32Å |
| 529 | H | 89 | Confident | 91.9 | Very high | 158 Ų | 158 | 76.4 Ų | 76.4 | 73% | 0.731 | 40% | 0.395 | S | S | * | . | trans | 46 | 35.9 | -178 | -59.2 | -68.6 | 0 | 0 | 0 | 114.1 | N526 V527 | N526-H529 PolarHBondContact O-N 3.02Å; N526-H529 VanDerWaalsContact O-N 3.09Å; N526-H529 PolarHBondContact O-ND1 3.48Å; V527-H529 VanDerWaalsContact C-N 3.34Å; V527-H529 PolarHBondContact O-CD2 3.37Å | ||
| 530 | K | 91.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 81.6 Ų | 81.6 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 133.9 | 179.5 | -71.1 | -176.8 | 65.5 | 70.7 | 0 | 110.1 | L528 Y533 D616 L643 | L528-K530 HydrophobicContact CB-CD 4.37Å; L528-K530 HydrophobicContact CB-CG 4.07Å; L528-K530 PolarHBondContact O-N 2.93Å; K530-Y533 WeakPolarHBondContact CE-OH 3.39Å; K530-D616 WeakPolarHBondContact CE-OD1 3.44Å; K530-D616 IonicContact NZ-OD1 2.87Å; K530-D616 PolarHBondContact NZ-OD1 3.27Å; K530-D616 IonicContact NZ-OD2 3.92Å; K530-D616 PolarHBondContact NZ-OD2 3.23Å; K530-L643 HydrophobicContact CB-CD2 4.22Å; K530-L643 HydrophobicContact CD-CD2 4.17Å |
| 531 | P | 96.1 | Very high | 92.5 | Very high | 100 Ų | 100 | 85.3 Ų | 85.3 | 65% | 0.649 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -67 | 157.2 | 171.4 | 30.5 | -34.7 | 0 | 0 | 0 | 110.2 | ||
| 532 | P | 97.7 | Very high | 92.7 | Very high | 122 Ų | 122 | 85 Ų | 85 | 79% | 0.792 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 139.9 | 168.5 | -23.1 | 33.8 | 0 | 0 | 0 | 111.2 | ||
| 533 | Y | 98.2 | Very high | 93 | Very high | 26 Ų | 26 | 89 Ų | 89 | 10% | 0.102 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 148.9 | 176.9 | -67.1 | -81 | 0 | 0 | 0 | 112.2 | K530 H535 A615 D616 H619 L643 P645 | K530-Y533 WeakPolarHBondContact CE-OH 3.39Å; Y533-H535 PolarHBondContact O-N 3.22Å; Y533-A615 HydrophobicContact CE2-CB 4.22Å; Y533-A615 VanDerWaalsContact OH-C 3.22Å; Y533-A615 WeakPolarHBondContact OH-CB 3.35Å; Y533-D616 WeakPolarHBondContact CE1-OD1 3.32Å; Y533-D616 PolarHBondContact OH-N 3.4Å; Y533-D616 VanDerWaalsContact OH-N 3.16Å; Y533-D616 PolarHBondContact OH-OD1 2.84Å; Y533-H619 HydrophobicContact CD1-CB 3.56Å; Y533-H619 AromaticContact CD1-CD2 3.58Å; Y533-H619 AromaticContact CD1-CG 3.25Å; Y533-H619 AromaticContact CD1-ND1 3.59Å; Y533-H619 HydrophobicContact CE1-CB 3.65Å; Y533-H619 AromaticContact CE1-CG 3.83Å; Y533-H619 HydrophobicContact CG-CB 4.21Å; Y533-H619 AromaticContact CG-CD2 3.82Å; Y533-H619 AromaticContact CG-CG 3.92Å; Y533-L643 WeakPolarHBondContact CD2-O 3.28Å; Y533-L643 HydrophobicContact CE2-CB 4.34Å; Y533-L643 WeakPolarHBondContact CE2-O 3.48Å; Y533-P645 HydrophobicContact CD2-CB 4.21Å; Y533-P645 HydrophobicContact CE2-CB 4.06Å |
| 534 | E | 97.9 | Very high | 93.7 | Very high | 173 Ų | 173 | 86.1 Ų | 86.1 | 81% | 0.808 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 116.9 | 166.8 | -70.3 | -174.5 | 178.7 | 0 | 0 | 109.8 | H619 | E534-H619 PolarHBondContact O-NE2 2.92Š|
| 535 | H | 98.3 | Very high | 94.3 | Very high | 48 Ų | 48 | 83.2 Ų | 83.2 | 22% | 0.222 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 136.3 | -179.5 | -63.1 | 149.2 | 0 | 0 | 0 | 112.6 | Y533 R644 A646 P647 Y1017 | Y533-H535 PolarHBondContact O-N 3.22Å; H535-R644 PolarHBondContact NE2-O 3.35Å; H535-A646 PolarHBondContact NE2-O 2.97Å; H535-P647 HydrophobicContact CB-CB 3.75Å; H535-P647 HydrophobicContact CB-CG 4.1Å; H535-Y1017 WeakPolarHBondContact CB-OH 3.4Å |
| 536 | P | 96.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 82.4 Ų | 82.4 | 16% | 0.162 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 138.1 | 171.4 | -20.1 | 31 | 0 | 0 | 0 | 111.4 | Y1017 | P536-Y1017 WeakPolarHBondContact O-CE1 3.24Š|
| 537 | K | 96.1 | Very high | 95.3 | Very high | 140 Ų | 140 | 80.3 Ų | 80.3 | 61% | 0.609 | 42% | 0.415 | S | S | * | . | trans | -110.9 | -7.3 | 178.1 | -54 | -50.3 | -175.1 | 97.9 | 0 | 113.8 | Y1017 | K537-Y1017 HydrophobicContact CD-CE1 3.81Å; K537-Y1017 VanDerWaalsContact CD-OH 3.25Å; K537-Y1017 WeakPolarHBondContact CD-OH 3.34Å; K537-Y1017 WeakPolarHBondContact CE-OH 3.38Å | ||
| 538 | D | 97.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 76.3 Ų | 76.3 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -141.1 | 171.5 | 175.6 | 70.8 | 38.2 | 0 | 0 | 0 | 109.8 | K540 | D538-K540 VanDerWaalsContact OD1-CB 3.26Å; D538-K540 WeakPolarHBondContact OD1-CB 3.5Å; D538-K540 WeakPolarHBondContact OD1-CG 3.26Å; D538-K540 PolarHBondContact OD1-N 3.37Å; D538-K540 WeakPolarHBondContact OD2-CD 3.47Å; D538-K540 WeakPolarHBondContact OD2-CE 3.44Å; D538-K540 IonicContact OD2-NZ 2.87Å; D538-K540 PolarHBondContact OD2-NZ 2.96Å |
| 539 | L | 98 | Very high | 96.8 | Very high | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.173 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -95.7 | 11.8 | -179.5 | -57.6 | -179.2 | 0 | 0 | 0 | 112.7 | S542 D543 G544 L546 W1014 | L539-S542 WeakPolarHBondContact CA-OG 3.42Å; L539-S542 CarbonylContact O-C 3.56Å; L539-S542 PolarHBondContact O-N 2.95Å; L539-S542 PolarHBondContact O-OG 3.31Å; L539-S542 VanDerWaalsContact O-OG 3.04Å; L539-D543 PolarHBondContact O-N 2.89Å; L539-G544 WeakPolarHBondContact O-CA 3.38Å; L539-G544 PolarHBondContact O-N 3.48Å; L539-L546 HydrophobicContact CD2-CD1 3.69Å; L539-W1014 HydrophobicContact CD2-CD2 4.14Å; L539-W1014 VanDerWaalsContact CD2-CE2 3.43Å; L539-W1014 HydrophobicContact CD2-CH2 4.27Å; L539-W1014 HydrophobicContact CD2-CZ2 3.5Å; L539-W1014 HydrophobicContact CG-CZ2 3.97Å |
| 540 | K | 96.7 | Very high | 97.3 | Very high | 164 Ų | 164 | 65.7 Ų | 65.7 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -69.3 | -39.1 | -174.1 | -63.2 | 174.4 | -167.2 | 138.6 | 0 | 111.5 | D538 S542 D543 | D538-K540 VanDerWaalsContact OD1-CB 3.26Å; D538-K540 WeakPolarHBondContact OD1-CB 3.5Å; D538-K540 WeakPolarHBondContact OD1-CG 3.26Å; D538-K540 PolarHBondContact OD1-N 3.37Å; D538-K540 WeakPolarHBondContact OD2-CD 3.47Å; D538-K540 WeakPolarHBondContact OD2-CE 3.44Å; D538-K540 IonicContact OD2-NZ 2.87Å; D538-K540 PolarHBondContact OD2-NZ 2.96Å; K540-S542 PolarHBondContact O-N 3.21Å; K540-D543 PolarHBondContact O-N 3.3Å |
| 541 | L | 95.1 | Very high | 97.6 | Very high | 141 Ų | 141 | 62.9 Ų | 62.9 | 74% | 0.738 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -66.6 | -16.7 | 177 | -66.4 | 178.7 | 0 | 0 | 0 | 113.1 | R547 | L541-R547 PolarHBondContact O-NH2 3.47Š|
| 542 | S | 97.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -111.5 | 22.7 | 177.4 | 55 | 0 | 0 | 0 | 0 | 112.9 | L539 K540 G544 R545 H624 | L539-S542 WeakPolarHBondContact CA-OG 3.42Å; L539-S542 CarbonylContact O-C 3.56Å; L539-S542 PolarHBondContact O-N 2.95Å; L539-S542 PolarHBondContact O-OG 3.31Å; L539-S542 VanDerWaalsContact O-OG 3.04Å; K540-S542 PolarHBondContact O-N 3.21Å; S542-G544 VanDerWaalsContact C-N 3.27Å; S542-G544 PolarHBondContact O-N 3.33Å; S542-R545 WeakPolarHBondContact CB-O 3.37Å; S542-R545 WeakPolarHBondContact O-CB 3.32Å; S542-R545 PolarHBondContact O-N 2.98Å; S542-R545 PolarHBondContact OG-O 3.39Å; S542-H624 PolarHBondContact OG-CE1 3.48Å; S542-H624 VanDerWaalsContact OG-CE1 3.29Å |
| 543 | D | 96.9 | Very high | 97.8 | Very high | 140 Ų | 140 | 53 Ų | 53 | 75% | 0.749 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 39.2 | 175.8 | -161 | 28.4 | 0 | 0 | 0 | 113.4 | L539 K540 R545 | L539-D543 PolarHBondContact O-N 2.89Å; K540-D543 PolarHBondContact O-N 3.3Å; D543-R545 PolarHBondContact O-N 2.93Å |
| 544 | G | 97 | Very high | 97.8 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 2.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L539 S542 | L539-G544 WeakPolarHBondContact O-CA 3.38Å; L539-G544 PolarHBondContact O-N 3.48Å; S542-G544 VanDerWaalsContact C-N 3.27Å; S542-G544 PolarHBondContact O-N 3.33Å |
| 545 | R | 98.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 44.1 Ų | 44.1 | 20% | 0.204 | 22% | 0.224 | C | C | . | . | trans | -98.8 | 143.4 | 179.8 | -56.9 | -173.3 | -66.4 | 155.1 | 2.7 | 111.9 | S542 D543 R547 P573 K575 E577 | S542-R545 WeakPolarHBondContact CB-O 3.37Å; S542-R545 WeakPolarHBondContact O-CB 3.32Å; S542-R545 PolarHBondContact O-N 2.98Å; S542-R545 PolarHBondContact OG-O 3.39Å; D543-R545 PolarHBondContact O-N 2.93Å; R545-R547 PolarHBondContact O-N 3.03Å; R545-P573 WeakPolarHBondContact CD-O 3.49Å; R545-P573 PolarHBondContact NH1-O 3.27Å; R545-K575 CarbonylContact C-O 3.6Å; R545-K575 VanDerWaalsContact CA-O 3.25Å; R545-K575 WeakPolarHBondContact CA-O 3.5Å; R545-E577 IonicContact CZ-OE1 3.69Å; R545-E577 IonicContact NH2-OE1 2.97Å; R545-E577 PolarHBondContact NH2-OE1 3.48Å; R545-E577 IonicContact NH2-OE2 3.34Å; R545-E577 PolarHBondContact NH2-OE2 3.46Å | ||
| 546 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 114.1 | 172.9 | -168.3 | 70.6 | 0 | 0 | 0 | 109.9 | L539 V548 K575 F576 E577 H624 I625 W1014 | L539-L546 HydrophobicContact CD2-CD1 3.69Å; L546-V548 HydrophobicContact CD2-CG2 4.3Å; L546-V548 HydrophobicContact CG-CG2 4.34Å; L546-V548 PolarHBondContact O-N 2.9Å; L546-K575 PolarHBondContact N-O 2.87Å; L546-F576 HydrophobicContact CB-CD1 3.87Å; L546-F576 HydrophobicContact CB-CE1 4.02Å; L546-F576 HydrophobicContact CD2-CD1 4.16Å; L546-F576 HydrophobicContact CD2-CE1 3.71Å; L546-F576 HydrophobicContact CG-CD1 4.48Å; L546-F576 HydrophobicContact CG-CE1 4.45Å; L546-F576 WeakPolarHBondContact O-CA 3.48Å; L546-E577 PolarHBondContact O-N 3.24Å; L546-H624 HydrophobicContact CD1-CB 3.58Å; L546-H624 HydrophobicContact CG-CB 4.37Å; L546-I625 HydrophobicContact CD2-CD1 3.78Å; L546-I625 HydrophobicContact CD2-CG1 4.33Å; L546-W1014 HydrophobicContact CD1-CB 3.89Å; L546-W1014 HydrophobicContact CD1-CD2 3.62Å; L546-W1014 HydrophobicContact CD1-CE3 3.9Å; L546-W1014 HydrophobicContact CD1-CG 3.59Å; L546-W1014 HydrophobicContact CD2-CB 4.29Å |
| 547 | R | 98.9 | Very high | 97.8 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 19% | 0.192 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.6 | 172.7 | -59.1 | -171.7 | 170.4 | 149.8 | 9.1 | 111.4 | L541 R545 E577 F579 D621 G622 I623 H624 I625 | L541-R547 PolarHBondContact O-NH2 3.47Å; R545-R547 PolarHBondContact O-N 3.03Å; R547-E577 WeakPolarHBondContact CA-O 3.09Å; R547-E577 HydrophobicContact CG-CB 4.18Å; R547-E577 IonicContact CZ-OE2 2.76Å; R547-E577 IonicContact NE-OE2 3.76Å; R547-E577 PolarHBondContact NE-OE2 2.95Å; R547-E577 IonicContact NH2-OE2 2.65Å; R547-F579 HydrophobicContact CB-CD2 4.35Å; R547-F579 HydrophobicContact CB-CE2 3.87Å; R547-F579 HydrophobicContact CG-CE2 3.84Å; R547-F579 HydrophobicContact CG-CZ 4.47Å; R547-D621 WeakPolarHBondContact CD-O 3.46Å; R547-D621 PolarHBondContact NH1-O 2.86Å; R547-G622 WeakPolarHBondContact CD-O 3.43Å; R547-I623 HydrophobicContact CB-CD1 4.14Å; R547-H624 WeakPolarHBondContact CB-ND1 3.35Å; R547-H624 PolarHBondContact N-ND1 2.98Å; R547-H624 PolarHBondContact O-N 3.37Å; R547-I625 PolarHBondContact O-N 3.17Å |
| 548 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.6 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | L546 Y550 F576 E577 F579 I625 V627 Y1010 | L546-V548 HydrophobicContact CD2-CG2 4.3Å; L546-V548 HydrophobicContact CG-CG2 4.34Å; L546-V548 PolarHBondContact O-N 2.9Å; V548-Y550 HydrophobicContact CG1-CE2 3.98Å; V548-F576 HydrophobicContact CG2-CD1 4.05Å; V548-E577 PolarHBondContact N-O 3.45Å; V548-F579 PolarHBondContact O-N 3.04Å; V548-I625 CarbonylContact C-O 3.48Å; V548-I625 WeakPolarHBondContact CA-O 3.25Å; V548-I625 HydrophobicContact CG2-CB 4.47Å; V548-V627 HydrophobicContact CG1-CG2 4.12Å; V548-Y1010 HydrophobicContact CG1-CD2 4.45Å; V548-Y1010 HydrophobicContact CG1-CE2 3.85Å; V548-Y1010 HydrophobicContact CG2-CD2 3.97Å; V548-Y1010 HydrophobicContact CG2-CE2 4.18Å |
| 549 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F579 I625 L626 V627 | G549-F579 CarbonylContact C-O 3.59Å; G549-F579 VanDerWaalsContact CA-O 3.29Å; G549-F579 WeakPolarHBondContact CA-O 3.45Å; G549-I625 PolarHBondContact N-O 3.29Å; G549-L626 CarbonylContact O-C 3.56Å; G549-L626 WeakPolarHBondContact O-CA 3.27Å; G549-V627 PolarHBondContact O-N 3.06Å |
| 550 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.2 | 172.6 | -70 | -69.5 | 0 | 0 | 0 | 110.3 | V548 H571 V578 F579 Y581 V627 M629 W652 L1006 Y1010 | V548-Y550 HydrophobicContact CG1-CE2 3.98Å; Y550-H571 AromaticContact CE2-NE2 3.74Å; Y550-H571 AromaticContact CZ-NE2 3.81Å; Y550-H571 PolarHBondContact OH-NE2 3.27Å; Y550-V578 HydrophobicContact CD2-CG1 4.02Å; Y550-V578 HydrophobicContact CE2-CG1 4.2Å; Y550-F579 PolarHBondContact N-O 2.64Å; Y550-Y581 PolarHBondContact O-N 2.89Å; Y550-V627 HydrophobicContact CD1-CB 3.69Å; Y550-V627 HydrophobicContact CD1-CG1 3.93Å; Y550-V627 HydrophobicContact CD1-CG2 4.01Å; Y550-V627 HydrophobicContact CE1-CB 3.94Å; Y550-V627 HydrophobicContact CE1-CG1 4Å; Y550-V627 HydrophobicContact CE1-CG2 3.82Å; Y550-M629 HydrophobicContact CD1-CG 4.37Å; Y550-M629 HydrophobicContact CD1-SD 3.57Å; Y550-M629 VanDerWaalsContact CD1-SD 3.57Å; Y550-M629 HydrophobicContact CG-SD 4.02Å; Y550-W652 HydrophobicContact CD1-CE3 4.25Å; Y550-W652 HydrophobicContact CD1-CZ3 4.06Å; Y550-W652 AromaticContact CE1-CE3 3.85Å; Y550-W652 HydrophobicContact CE1-CE3 3.85Å; Y550-W652 AromaticContact CE1-CZ3 3.62Å; Y550-W652 HydrophobicContact CE1-CZ3 3.62Å; Y550-L1006 WeakPolarHBondContact OH-CD2 3.44Å; Y550-Y1010 WeakPolarHBondContact OH-CE2 3.49Å; Y550-Y1010 PolarHBondContact OH-OH 3.01Å |
| 551 | V | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.1 | -178.7 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | Y581 L583 L626 V627 M629 F641 | V551-Y581 HydrophobicContact CG2-CD2 3.94Å; V551-Y581 HydrophobicContact CG2-CG 4.3Å; V551-L583 HydrophobicContact CG1-CD1 3.88Å; V551-L583 HydrophobicContact CG1-CD2 3.71Å; V551-L583 HydrophobicContact CG1-CG 3.84Å; V551-L626 HydrophobicContact CG2-CD1 3.51Å; V551-L626 HydrophobicContact CG2-CD2 4.26Å; V551-L626 HydrophobicContact CG2-CG 3.83Å; V551-V627 PolarHBondContact N-O 3.36Å; V551-M629 PolarHBondContact O-N 3.49Å; V551-F641 HydrophobicContact CB-CE2 4.05Å; V551-F641 HydrophobicContact CB-CZ 3.76Å; V551-F641 HydrophobicContact CG1-CE2 4.24Å; V551-F641 HydrophobicContact CG1-CZ 4.43Å; V551-F641 HydrophobicContact CG2-CE2 4.32Å; V551-F641 HydrophobicContact CG2-CZ 3.76Å |
| 552 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 142.4 | -179.3 | -163.7 | 0 | 0 | 0 | 0 | 113.7 | D554 Y581 A582 L583 N630 | S552-D554 VanDerWaalsContact OG-CB 3.32Å; S552-D554 WeakPolarHBondContact OG-CB 3.44Å; S552-D554 PolarHBondContact OG-N 3.28Å; S552-Y581 PolarHBondContact N-O 3.17Å; S552-A582 WeakPolarHBondContact O-CA 3.38Å; S552-L583 PolarHBondContact O-N 2.98Å; S552-N630 VanDerWaalsContact CA-OD1 3.23Å; S552-N630 WeakPolarHBondContact CA-OD1 3.35Å |
| 553 | S | 98 | Very high | 97.9 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -78.7 | -4.1 | 160.5 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | S584 N630 K634 | S553-S584 WeakPolarHBondContact O-CB 3.45Å; S553-S584 PolarHBondContact O-OG 3.34Å; S553-N630 PolarHBondContact N-OD1 3.34Å; S553-N630 PolarHBondContact OG-ND2 3.5Å; S553-K634 PolarHBondContact OG-O 3.02Å |
| 554 | D | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 6% | 0.059 | 11% | 0.111 | C | C | . | . | trans | -107.7 | 13.3 | -164.4 | -58.7 | -10 | 0 | 0 | 0 | 112.7 | S552 G556 H558 T560 S561 N630 | S552-D554 VanDerWaalsContact OG-CB 3.32Å; S552-D554 WeakPolarHBondContact OG-CB 3.44Å; S552-D554 PolarHBondContact OG-N 3.28Å; D554-G556 PolarHBondContact O-N 3.45Å; D554-H558 HydrophobicContact CB-CB 3.82Å; D554-H558 WeakPolarHBondContact CB-ND1 3.45Å; D554-H558 VanDerWaalsContact CG-ND1 3.27Å; D554-H558 IonicContact OD2-CE1 2.61Å; D554-H558 PolarHBondContact OD2-CE1 3Å; D554-H558 IonicContact OD2-CG 3.69Å; D554-H558 IonicContact OD2-ND1 3.81Å; D554-H558 PolarHBondContact OD2-ND1 3Å; D554-H558 VanDerWaalsContact OD2-ND1 3.09Å; D554-H558 IonicContact OD2-NE2 3.19Å; D554-T560 HydrophobicContact CB-CG2 4.44Å; D554-T560 PolarHBondContact OD2-OG1 3.5Å; D554-T560 VanDerWaalsContact OD2-OG1 3.05Å; D554-S561 WeakPolarHBondContact O-CB 3.43Å; D554-S561 PolarHBondContact O-OG 3.46Å; D554-N630 PolarHBondContact OD1-ND2 2.91Å | ||
| 555 | F | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -71.5 | 92.3 | 169.2 | -64.8 | -49.3 | 0 | 0 | 0 | 110 | S561 M564 C580 A582 R592 V595 F602 M629 | F555-S561 WeakPolarHBondContact CA-OG 3.29Å; F555-M564 HydrophobicContact CE1-CE 4.48Å; F555-M564 HydrophobicContact CE1-SD 4.38Å; F555-C580 HydrophobicContact CE2-CB 4.1Å; F555-C580 HydrophobicContact CZ-CB 4.1Å; F555-A582 HydrophobicContact CD2-CB 4.17Å; F555-R592 WeakPolarHBondContact O-CD 3.4Å; F555-R592 PolarHBondContact O-NH1 2.7Å; F555-V595 HydrophobicContact CD1-CG1 3.91Å; F555-V595 HydrophobicContact CE1-CG1 4.05Å; F555-V595 HydrophobicContact CG-CG1 4.49Å; F555-F602 HydrophobicContact CD2-CE2 4.4Å; F555-F602 HydrophobicContact CD2-CZ 4.43Å; F555-M629 HydrophobicContact CE1-CE 4.46Å; F555-M629 HydrophobicContact CZ-SD 4.34Å |
| 556 | G | 97.2 | Very high | 98 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 159.6 | -154.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D554 H558 S561 D587 | D554-G556 PolarHBondContact O-N 3.45Å; G556-H558 PolarHBondContact O-N 3.28Å; G556-S561 PolarHBondContact N-OG 3.43Å; G556-S561 WeakPolarHBondContact O-CB 3.28Å; G556-S561 PolarHBondContact O-OG 2.89Å; G556-D587 WeakPolarHBondContact CA-OD2 3.32Å |
| 557 | N | 96.6 | Very high | 98 | Very high | 91 Ų | 91 | 15.6 Ų | 15.6 | 49% | 0.487 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -76.6 | 69.1 | 174.4 | -178.9 | 25.2 | 0 | 0 | 0 | 111.9 | H562 D587 T589 F591 | N557-H562 PolarHBondContact OD1-CE1 3.19Å; N557-H562 PolarHBondContact OD1-NE2 2.91Å; N557-H562 VanDerWaalsContact OD1-NE2 3.16Å; N557-D587 PolarHBondContact N-OD2 3.49Å; N557-T589 HydrophobicContact CB-CG2 3.88Å; N557-F591 HydrophobicContact CB-CD2 4.42Å |
| 558 | H | 96.6 | Very high | 98 | Very high | 73 Ų | 73 | 13.3 Ų | 13.3 | 34% | 0.338 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -133.7 | 145.9 | 175.4 | -170.8 | -95.5 | 0 | 0 | 0 | 110 | D554 G556 T560 S561 H562 | D554-H558 HydrophobicContact CB-CB 3.82Å; D554-H558 WeakPolarHBondContact CB-ND1 3.45Å; D554-H558 VanDerWaalsContact CG-ND1 3.27Å; D554-H558 IonicContact OD2-CE1 2.61Å; D554-H558 PolarHBondContact OD2-CE1 3Å; D554-H558 IonicContact OD2-CG 3.69Å; D554-H558 IonicContact OD2-ND1 3.81Å; D554-H558 PolarHBondContact OD2-ND1 3Å; D554-H558 VanDerWaalsContact OD2-ND1 3.09Å; D554-H558 IonicContact OD2-NE2 3.19Å; G556-H558 PolarHBondContact O-N 3.28Å; H558-T560 PolarHBondContact CE1-OG1 3.34Å; H558-T560 PolarHBondContact ND1-N 2.91Å; H558-T560 PolarHBondContact ND1-OG1 2.9Å; H558-T560 PolarHBondContact O-N 2.87Å; H558-T560 VanDerWaalsContact O-N 3.07Å; H558-S561 PolarHBondContact O-N 3.22Å; H558-H562 PolarHBondContact O-CD2 2.98Å; H558-H562 PolarHBondContact O-N 3.25Å; H558-H562 VanDerWaalsContact O-N 3.13Å |
| 559 | P | 95.7 | Very high | 98 | Very high | 50 Ų | 50 | 15.2 Ų | 15.2 | 33% | 0.325 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -46.6 | -40.5 | 177.2 | -32.7 | 37.1 | 0 | 0 | 0 | 114.5 | S561 H562 L563 T921 | P559-S561 PolarHBondContact O-N 2.91Å; P559-H562 WeakPolarHBondContact O-CB 3.38Å; P559-H562 PolarHBondContact O-N 3.28Å; P559-H562 VanDerWaalsContact O-N 3.1Å; P559-L563 VanDerWaalsContact O-CG 3.26Å; P559-L563 WeakPolarHBondContact O-CG 3.47Å; P559-L563 PolarHBondContact O-N 3.48Å; P559-T921 HydrophobicContact CB-CG2 4.18Å |
| 560 | T | 96.8 | Very high | 98 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.2 | -51.5 | 176.3 | -47.6 | 0 | 0 | 0 | 0 | 111.7 | D554 H558 H562 L563 M564 M629 | D554-T560 HydrophobicContact CB-CG2 4.44Å; D554-T560 PolarHBondContact OD2-OG1 3.5Å; D554-T560 VanDerWaalsContact OD2-OG1 3.05Å; H558-T560 PolarHBondContact CE1-OG1 3.34Å; H558-T560 PolarHBondContact ND1-N 2.91Å; H558-T560 PolarHBondContact ND1-OG1 2.9Å; H558-T560 PolarHBondContact O-N 2.87Å; H558-T560 VanDerWaalsContact O-N 3.07Å; T560-H562 PolarHBondContact O-N 2.91Å; T560-L563 WeakPolarHBondContact O-CB 3.48Å; T560-L563 PolarHBondContact O-N 2.94Å; T560-L563 VanDerWaalsContact O-N 3.09Å; T560-M564 HydrophobicContact CG2-CG 4.42Å; T560-M564 WeakPolarHBondContact O-CG 3.41Å; T560-M564 PolarHBondContact O-N 3.45Å; T560-M564 VanDerWaalsContact O-N 3.12Å; T560-M629 HydrophobicContact CG2-CE 3.66Å |
| 561 | S | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 176 | -76.7 | 0 | 0 | 0 | 0 | 112.5 | D554 F555 G556 H558 P559 L563 M564 Q565 | D554-S561 WeakPolarHBondContact O-CB 3.43Å; D554-S561 PolarHBondContact O-OG 3.46Å; F555-S561 WeakPolarHBondContact CA-OG 3.29Å; G556-S561 PolarHBondContact N-OG 3.43Å; G556-S561 WeakPolarHBondContact O-CB 3.28Å; G556-S561 PolarHBondContact O-OG 2.89Å; H558-S561 PolarHBondContact O-N 3.22Å; P559-S561 PolarHBondContact O-N 2.91Å; S561-L563 PolarHBondContact O-N 3.42Å; S561-M564 PolarHBondContact O-N 3.25Å; S561-Q565 WeakPolarHBondContact O-CB 3.49Å; S561-Q565 VanDerWaalsContact O-CG 3.28Å; S561-Q565 WeakPolarHBondContact O-CG 3.31Å; S561-Q565 PolarHBondContact O-N 3.5Å |
| 562 | H | 98.1 | Very high | 97.9 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -18.3 | 176.4 | -51 | 160 | 0 | 0 | 0 | 113 | N557 H558 P559 T560 F591 D697 M701 | N557-H562 PolarHBondContact OD1-CE1 3.19Å; N557-H562 PolarHBondContact OD1-NE2 2.91Å; N557-H562 VanDerWaalsContact OD1-NE2 3.16Å; H558-H562 PolarHBondContact O-CD2 2.98Å; H558-H562 PolarHBondContact O-N 3.25Å; H558-H562 VanDerWaalsContact O-N 3.13Å; P559-H562 WeakPolarHBondContact O-CB 3.38Å; P559-H562 PolarHBondContact O-N 3.28Å; P559-H562 VanDerWaalsContact O-N 3.1Å; T560-H562 PolarHBondContact O-N 2.91Å; H562-F591 AromaticContact CD2-CD2 3.84Å; H562-F591 AromaticContact CD2-CE2 3.55Å; H562-F591 AromaticContact CD2-CZ 3.83Å; H562-F591 AromaticContact NE2-CD2 3.71Å; H562-F591 AromaticContact NE2-CE2 3.28Å; H562-F591 VanDerWaalsContact NE2-CE2 3.28Å; H562-F591 WeakPolarHBondContact NE2-CE2 3.29Å; H562-F591 AromaticContact NE2-CZ 3.93Å; H562-D697 VanDerWaalsContact O-CB 3.32Å; H562-D697 WeakPolarHBondContact O-CB 3.43Å; H562-D697 PolarHBondContact O-N 2.87Å; H562-M701 HydrophobicContact CB-CE 4.09Å; H562-M701 HydrophobicContact CB-SD 3.93Å; H562-M701 VanDerWaalsContact O-SD 3.33Å |
| 563 | L | 98.1 | Very high | 97.9 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -93.5 | -41.2 | 178.1 | -63.5 | 173.3 | 0 | 0 | 0 | 112.8 | P559 T560 S561 L653 F694 I695 G696 D697 M924 | P559-L563 VanDerWaalsContact O-CG 3.26Å; P559-L563 WeakPolarHBondContact O-CG 3.47Å; P559-L563 PolarHBondContact O-N 3.48Å; T560-L563 WeakPolarHBondContact O-CB 3.48Å; T560-L563 PolarHBondContact O-N 2.94Å; T560-L563 VanDerWaalsContact O-N 3.09Å; S561-L563 PolarHBondContact O-N 3.42Å; L563-L653 HydrophobicContact CB-CD2 4.3Å; L563-L653 HydrophobicContact CD1-CD1 4.35Å; L563-F694 HydrophobicContact CD1-CE1 3.71Å; L563-F694 HydrophobicContact CD1-CZ 3.58Å; L563-F694 HydrophobicContact CD2-CE1 4.03Å; L563-F694 HydrophobicContact CG-CE1 4.5Å; L563-I695 WeakPolarHBondContact CB-O 3.14Å; L563-I695 WeakPolarHBondContact CD2-O 3.44Å; L563-G696 CarbonylContact O-C 3.5Å; L563-G696 WeakPolarHBondContact O-CA 3.38Å; L563-D697 PolarHBondContact O-N 3.39Å; L563-D697 VanDerWaalsContact O-N 3.13Å; L563-M924 HydrophobicContact CD2-CB 4.49Å; L563-M924 HydrophobicContact CD2-CG 4.39Å |
| 564 | M | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -123.8 | 3.3 | -167.8 | 64.6 | 62.3 | 69.6 | 0 | 0 | 116.3 | F555 T560 S561 S566 I567 P568 M629 W652 L653 I695 | F555-M564 HydrophobicContact CE1-CE 4.48Å; F555-M564 HydrophobicContact CE1-SD 4.38Å; T560-M564 HydrophobicContact CG2-CG 4.42Å; T560-M564 WeakPolarHBondContact O-CG 3.41Å; T560-M564 PolarHBondContact O-N 3.45Å; T560-M564 VanDerWaalsContact O-N 3.12Å; S561-M564 PolarHBondContact O-N 3.25Å; M564-S566 PolarHBondContact O-N 3.02Å; M564-I567 HydrophobicContact CB-CD1 3.87Å; M564-I567 HydrophobicContact CB-CG1 4.34Å; M564-I567 WeakPolarHBondContact O-CB 3.43Å; M564-I567 PolarHBondContact O-N 2.91Å; M564-P568 HydrophobicContact CE-CG 3.99Å; M564-P568 WeakPolarHBondContact O-CD 3.31Å; M564-M629 HydrophobicContact CE-CE 3.61Å; M564-M629 HydrophobicContact CE-SD 4.26Å; M564-M629 HydrophobicContact CG-CE 3.66Å; M564-M629 HydrophobicContact SD-CE 3.52Å; M564-M629 VanDerWaalsContact SD-CE 3.52Å; M564-W652 HydrophobicContact CB-CH2 3.91Å; M564-W652 HydrophobicContact CE-CH2 4.43Å; M564-W652 HydrophobicContact CE-CZ3 4.16Å; M564-W652 HydrophobicContact CG-CH2 4.22Å; M564-W652 HydrophobicContact CG-CZ3 4.38Å; M564-L653 HydrophobicContact CB-CD2 4.02Å; M564-L653 HydrophobicContact CG-CD2 3.85Å; M564-I695 HydrophobicContact CB-CG2 4.45Å |
| 565 | Q | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -26.4 | -173.9 | 59.9 | 177.9 | -38.9 | 0 | 0 | 115.6 | S561 K594 V595 D697 M701 | S561-Q565 WeakPolarHBondContact O-CB 3.49Å; S561-Q565 VanDerWaalsContact O-CG 3.28Å; S561-Q565 WeakPolarHBondContact O-CG 3.31Å; S561-Q565 PolarHBondContact O-N 3.5Å; Q565-K594 HydrophobicContact CG-CD 4.49Å; Q565-V595 HydrophobicContact CB-CG2 3.78Å; Q565-D697 HydrophobicContact CG-CB 4.24Å; Q565-D697 WeakPolarHBondContact CG-OD2 3.47Å; Q565-D697 PolarHBondContact NE2-OD2 3.23Å; Q565-D697 VanDerWaalsContact NE2-OD2 3.1Å; Q565-M701 PolarHBondContact NE2-SD 3.4Å; Q565-M701 VanDerWaalsContact NE2-SD 3.38Å |
| 566 | S | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -14.1 | 178.7 | -60 | 0 | 0 | 0 | 0 | 113.6 | M564 G569 M570 K594 D697 | M564-S566 PolarHBondContact O-N 3.02Å; S566-G569 PolarHBondContact O-N 2.91Å; S566-M570 WeakPolarHBondContact O-CB 3.48Å; S566-M570 VanDerWaalsContact O-CG 3.24Å; S566-M570 WeakPolarHBondContact O-CG 3.49Å; S566-M570 PolarHBondContact O-N 3.28Å; S566-M570 VanDerWaalsContact O-N 3.15Å; S566-K594 VanDerWaalsContact OG-CE 3.28Å; S566-K594 WeakPolarHBondContact OG-CE 3.46Å; S566-K594 PolarHBondContact OG-NZ 3Å; S566-D697 WeakPolarHBondContact CB-OD1 3.37Å; S566-D697 PolarHBondContact OG-OD1 3.31Å; S566-D697 PolarHBondContact OG-OD2 3.4Å; S566-D697 VanDerWaalsContact OG-OD2 3.13Å |
| 567 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | -178.4 | -69.2 | -179 | 0 | 0 | 0 | 111.8 | M564 G569 M570 H571 W652 I695 Y1002 T1003 L1006 | M564-I567 HydrophobicContact CB-CD1 3.87Å; M564-I567 HydrophobicContact CB-CG1 4.34Å; M564-I567 WeakPolarHBondContact O-CB 3.43Å; M564-I567 PolarHBondContact O-N 2.91Å; I567-G569 VanDerWaalsContact C-N 3.25Å; I567-G569 PolarHBondContact O-N 3.46Å; I567-M570 PolarHBondContact O-N 3.46Å; I567-H571 PolarHBondContact O-N 2.97Å; I567-W652 HydrophobicContact CD1-CH2 3.81Å; I567-W652 HydrophobicContact CD1-CZ2 4.09Å; I567-I695 HydrophobicContact CD1-CG1 4.35Å; I567-I695 HydrophobicContact CD1-CG2 3.84Å; I567-Y1002 HydrophobicContact CD1-CD1 3.6Å; I567-Y1002 HydrophobicContact CD1-CE1 3.73Å; I567-T1003 HydrophobicContact CG2-CG2 4.16Å; I567-L1006 HydrophobicContact CG2-CD2 4.46Å |
| 568 | P | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.7 | -41.9 | 175.3 | -30.8 | 38.1 | 0 | 0 | 0 | 113.8 | M564 M570 V578 V595 | M564-P568 HydrophobicContact CE-CG 3.99Å; M564-P568 WeakPolarHBondContact O-CD 3.31Å; P568-M570 VanDerWaalsContact C-N 3.34Å; P568-V578 HydrophobicContact CB-CG1 4.15Å; P568-V595 HydrophobicContact CG-CG1 4.25Å |
| 569 | G | 98.1 | Very high | 98.2 | Very high | 40 Ų | 40 | 29 Ų | 29 | 41% | 0.412 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -81 | -9.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S566 I567 | S566-G569 PolarHBondContact O-N 2.91Å; I567-G569 VanDerWaalsContact C-N 3.25Å; I567-G569 PolarHBondContact O-N 3.46Å |
| 570 | M | 98.5 | Very high | 98.3 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 35% | 0.345 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -98 | -9.1 | 178 | -74.4 | 180 | 179.1 | 0 | 0 | 113.4 | S566 I567 P568 T999 K1000 T1003 | S566-M570 WeakPolarHBondContact O-CB 3.48Å; S566-M570 VanDerWaalsContact O-CG 3.24Å; S566-M570 WeakPolarHBondContact O-CG 3.49Å; S566-M570 PolarHBondContact O-N 3.28Å; S566-M570 VanDerWaalsContact O-N 3.15Å; I567-M570 PolarHBondContact O-N 3.46Å; P568-M570 VanDerWaalsContact C-N 3.34Å; M570-T999 VanDerWaalsContact CE-OG1 3.31Å; M570-T999 WeakPolarHBondContact CE-OG1 3.47Å; M570-T999 VanDerWaalsContact SD-CB 3.56Å; M570-T999 PolarHBondContact SD-OG1 2.96Å; M570-K1000 HydrophobicContact SD-CB 4.02Å; M570-K1000 PolarHBondContact SD-N 3.27Å; M570-K1000 VanDerWaalsContact SD-N 3.38Å; M570-T1003 HydrophobicContact CB-CG2 4.15Å |
| 571 | H | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 6% | 0.06 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -61.9 | 142.4 | 172.7 | -90.9 | -63.2 | 0 | 0 | 0 | 111.5 | Y550 I567 P573 V578 T1003 E1007 | Y550-H571 AromaticContact CE2-NE2 3.74Å; Y550-H571 AromaticContact CZ-NE2 3.81Å; Y550-H571 PolarHBondContact OH-NE2 3.27Å; I567-H571 PolarHBondContact O-N 2.97Å; H571-P573 WeakPolarHBondContact O-CD 3.45Å; H571-V578 HydrophobicContact CB-CG2 3.49Å; H571-V578 VanDerWaalsContact CB-CG2 3.49Å; H571-T1003 HydrophobicContact CB-CG2 4.4Å; H571-E1007 VanDerWaalsContact CA-OE1 3.24Å; H571-E1007 WeakPolarHBondContact CA-OE1 3.27Å; H571-E1007 IonicContact CE1-OE1 3.17Å; H571-E1007 IonicContact CG-OE1 3.78Å; H571-E1007 WeakPolarHBondContact ND1-CG 3.28Å; H571-E1007 IonicContact ND1-OE1 3.25Å; H571-E1007 PolarHBondContact ND1-OE1 2.82Å |
| 572 | N | 98.3 | Very high | 98.5 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 31% | 0.305 | 14% | 0.144 | S | C | . | . | trans | -75.1 | 108.3 | 177 | -178.5 | 0.3 | 0 | 0 | 0 | 110.5 | D574 K575 F576 E1007 | N572-D574 PolarHBondContact O-N 3.42Å; N572-D574 VanDerWaalsContact O-N 3.14Å; N572-D574 WeakPolarHBondContact OD1-CB 3.5Å; N572-D574 PolarHBondContact OD1-N 3.3Å; N572-K575 PolarHBondContact O-N 2.56Å; N572-F576 HydrophobicContact CB-CD2 4.46Å; N572-F576 PolarHBondContact O-N 2.97Å; N572-E1007 PolarHBondContact N-OE1 3.39Å | ||
| 573 | P | 97.8 | Very high | 98.5 | Very high | 69 Ų | 69 | 26.6 Ų | 26.6 | 45% | 0.448 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -15.3 | -176.6 | 30.9 | -36.7 | 0 | 0 | 0 | 113.4 | R545 H571 K575 F576 | R545-P573 WeakPolarHBondContact CD-O 3.49Å; R545-P573 PolarHBondContact NH1-O 3.27Å; H571-P573 WeakPolarHBondContact O-CD 3.45Å; P573-K575 VanDerWaalsContact C-N 3.3Å; P573-F576 CarbonylContact C-O 3.44Å; P573-F576 WeakPolarHBondContact CA-O 3.39Å |
| 574 | D | 97.8 | Very high | 98.4 | Very high | 126 Ų | 126 | 27.6 Ų | 27.6 | 67% | 0.674 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.8 | 178.3 | -62.2 | -28.2 | 0 | 0 | 0 | 112.4 | N572 | N572-D574 PolarHBondContact O-N 3.42Å; N572-D574 VanDerWaalsContact O-N 3.14Å; N572-D574 WeakPolarHBondContact OD1-CB 3.5Å; N572-D574 PolarHBondContact OD1-N 3.3Å |
| 575 | K | 98.3 | Very high | 98.2 | Very high | 122 Ų | 122 | 31.8 Ų | 31.8 | 53% | 0.53 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -19.6 | -175.9 | -66.5 | -61.6 | -177 | -172.2 | 0 | 113.4 | R545 L546 N572 P573 | R545-K575 CarbonylContact C-O 3.6Å; R545-K575 VanDerWaalsContact CA-O 3.25Å; R545-K575 WeakPolarHBondContact CA-O 3.5Å; L546-K575 PolarHBondContact N-O 2.87Å; N572-K575 PolarHBondContact O-N 2.56Å; P573-K575 VanDerWaalsContact C-N 3.3Å |
| 576 | F | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.2 | -177.2 | -61.7 | -93.7 | 0 | 0 | 0 | 110.7 | L546 V548 N572 P573 E1007 Y1010 L1011 | L546-F576 HydrophobicContact CB-CD1 3.87Å; L546-F576 HydrophobicContact CB-CE1 4.02Å; L546-F576 HydrophobicContact CD2-CD1 4.16Å; L546-F576 HydrophobicContact CD2-CE1 3.71Å; L546-F576 HydrophobicContact CG-CD1 4.48Å; L546-F576 HydrophobicContact CG-CE1 4.45Å; L546-F576 WeakPolarHBondContact O-CA 3.48Å; V548-F576 HydrophobicContact CG2-CD1 4.05Å; N572-F576 HydrophobicContact CB-CD2 4.46Å; N572-F576 PolarHBondContact O-N 2.97Å; P573-F576 CarbonylContact C-O 3.44Å; P573-F576 WeakPolarHBondContact CA-O 3.39Å; F576-E1007 HydrophobicContact CD1-CG 4.36Å; F576-E1007 HydrophobicContact CD2-CB 4.32Å; F576-E1007 HydrophobicContact CD2-CG 3.69Å; F576-E1007 WeakPolarHBondContact CD2-OE1 3.33Å; F576-E1007 HydrophobicContact CE1-CB 4.18Å; F576-E1007 HydrophobicContact CE1-CG 4.04Å; F576-E1007 HydrophobicContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CD 3.45Å; F576-E1007 HydrophobicContact CE2-CG 3.36Å; F576-E1007 HydrophobicContact CG-CG 4.2Å; F576-E1007 HydrophobicContact CZ-CB 3.39Å; F576-E1007 HydrophobicContact CZ-CG 3.55Å; F576-Y1010 HydrophobicContact CE1-CD2 4.29Å; F576-L1011 HydrophobicContact CZ-CD1 4.28Å; F576-L1011 HydrophobicContact CZ-CD2 4.16Å; F576-L1011 HydrophobicContact CZ-CG 3.92Å |
| 577 | E | 98.8 | Very high | 98.2 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 115.2 | 170.2 | -172.7 | 175.6 | -145 | 0 | 0 | 108 | R545 L546 R547 V548 F579 N600 H601 | R545-E577 IonicContact CZ-OE1 3.69Å; R545-E577 IonicContact NH2-OE1 2.97Å; R545-E577 PolarHBondContact NH2-OE1 3.48Å; R545-E577 IonicContact NH2-OE2 3.34Å; R545-E577 PolarHBondContact NH2-OE2 3.46Å; L546-E577 PolarHBondContact O-N 3.24Å; R547-E577 WeakPolarHBondContact CA-O 3.09Å; R547-E577 HydrophobicContact CG-CB 4.18Å; R547-E577 IonicContact CZ-OE2 2.76Å; R547-E577 IonicContact NE-OE2 3.76Å; R547-E577 PolarHBondContact NE-OE2 2.95Å; R547-E577 IonicContact NH2-OE2 2.65Å; V548-E577 PolarHBondContact N-O 3.45Å; E577-F579 HydrophobicContact CB-CE2 4.11Å; E577-F579 HydrophobicContact CG-CD2 4.39Å; E577-F579 HydrophobicContact CG-CE2 3.55Å; E577-F579 HydrophobicContact CG-CZ 4.05Å; E577-F579 WeakPolarHBondContact O-CD2 3.3Å; E577-N600 WeakPolarHBondContact CA-OD1 3.4Å; E577-N600 HydrophobicContact CG-CB 4.24Å; E577-H601 IonicContact OE1-CD2 3.7Å; E577-H601 IonicContact OE1-CE1 3.82Å; E577-H601 IonicContact OE1-NE2 2.8Å; E577-H601 PolarHBondContact OE1-NE2 3.19Å |
| 578 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.1 | -170.3 | -178 | 0 | 0 | 0 | 0 | 111.1 | Y550 P568 H571 A599 N600 H601 | Y550-V578 HydrophobicContact CD2-CG1 4.02Å; Y550-V578 HydrophobicContact CE2-CG1 4.2Å; P568-V578 HydrophobicContact CB-CG1 4.15Å; H571-V578 HydrophobicContact CB-CG2 3.49Å; H571-V578 VanDerWaalsContact CB-CG2 3.49Å; V578-A599 HydrophobicContact CG1-CB 4.4Å; V578-N600 PolarHBondContact N-OD1 3.41Å; V578-N600 WeakPolarHBondContact O-CB 3.4Å; V578-N600 PolarHBondContact O-N 3.48Å; V578-N600 VanDerWaalsContact O-N 3.14Å; V578-H601 PolarHBondContact O-N 3.09Å |
| 579 | F | 98.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.6 | 174 | -63.8 | -109.4 | 0 | 0 | 0 | 108.9 | R547 V548 G549 Y550 E577 Y581 H601 I603 D621 I623 | R547-F579 HydrophobicContact CB-CD2 4.35Å; R547-F579 HydrophobicContact CB-CE2 3.87Å; R547-F579 HydrophobicContact CG-CE2 3.84Å; R547-F579 HydrophobicContact CG-CZ 4.47Å; V548-F579 PolarHBondContact O-N 3.04Å; G549-F579 CarbonylContact C-O 3.59Å; G549-F579 VanDerWaalsContact CA-O 3.29Å; G549-F579 WeakPolarHBondContact CA-O 3.45Å; Y550-F579 PolarHBondContact N-O 2.64Å; E577-F579 HydrophobicContact CB-CE2 4.11Å; E577-F579 HydrophobicContact CG-CD2 4.39Å; E577-F579 HydrophobicContact CG-CE2 3.55Å; E577-F579 HydrophobicContact CG-CZ 4.05Å; E577-F579 WeakPolarHBondContact O-CD2 3.3Å; F579-Y581 HydrophobicContact CB-CD2 4.42Å; F579-Y581 HydrophobicContact CB-CE2 3.65Å; F579-H601 CarbonylContact C-O 3.48Å; F579-H601 WeakPolarHBondContact CA-O 3.5Å; F579-H601 HydrophobicContact CD1-CB 3.49Å; F579-H601 VanDerWaalsContact CD1-CB 3.49Å; F579-H601 AromaticContact CD1-CD2 3.79Å; F579-H601 AromaticContact CD1-CG 3.8Å; F579-H601 HydrophobicContact CE1-CB 3.77Å; F579-H601 AromaticContact CE1-CD2 3.3Å; F579-H601 WeakPolarHBondContact CE1-CD2 3.47Å; F579-H601 AromaticContact CE1-CG 3.52Å; F579-H601 AromaticContact CE1-NE2 3.98Å; F579-H601 AromaticContact CE2-CD2 3.72Å; F579-H601 HydrophobicContact CG-CB 4.05Å; F579-H601 AromaticContact CZ-CD2 3.26Å; F579-H601 WeakPolarHBondContact CZ-CD2 3.38Å; F579-H601 AromaticContact CZ-CG 3.98Å; F579-H601 AromaticContact CZ-NE2 3.72Å; F579-I603 HydrophobicContact CB-CD1 4.09Å; F579-I603 HydrophobicContact CD1-CD1 3.94Å; F579-D621 HydrophobicContact CD1-CB 3.94Å; F579-D621 HydrophobicContact CE1-CB 3.73Å; F579-D621 HydrophobicContact CZ-CB 4.47Å; F579-I623 HydrophobicContact CB-CD1 3.82Å; F579-I623 HydrophobicContact CD1-CD1 4.01Å; F579-I623 HydrophobicContact CD2-CD1 3.41Å; F579-I623 VanDerWaalsContact CD2-CD1 3.41Å; F579-I623 HydrophobicContact CE1-CD1 4.47Å; F579-I623 HydrophobicContact CE2-CD1 3.92Å; F579-I623 HydrophobicContact CG-CD1 3.48Å; F579-I623 VanDerWaalsContact CG-CD1 3.48Å; F579-I623 HydrophobicContact CZ-CD1 4.44Å |
| 580 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.9 | 173.5 | -75.2 | 0 | 0 | 0 | 0 | 109.9 | F555 V595 A599 H601 F602 I603 | F555-C580 HydrophobicContact CE2-CB 4.1Å; F555-C580 HydrophobicContact CZ-CB 4.1Å; C580-V595 HydrophobicContact CB-CG1 4.27Å; C580-A599 HydrophobicContact CB-CB 3.99Å; C580-H601 PolarHBondContact N-O 3.19Å; C580-F602 HydrophobicContact CB-CD2 3.56Å; C580-F602 HydrophobicContact CB-CE2 3.81Å; C580-F602 HydrophobicContact CB-CG 4.49Å; C580-I603 PolarHBondContact O-N 3.4Å |
| 581 | Y | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 104.5 | -179 | -61.9 | -84.7 | 0 | 0 | 0 | 110.5 | Y550 V551 S552 F579 I603 L605 I618 D621 I623 L626 | Y550-Y581 PolarHBondContact O-N 2.89Å; V551-Y581 HydrophobicContact CG2-CD2 3.94Å; V551-Y581 HydrophobicContact CG2-CG 4.3Å; S552-Y581 PolarHBondContact N-O 3.17Å; F579-Y581 HydrophobicContact CB-CD2 4.42Å; F579-Y581 HydrophobicContact CB-CE2 3.65Å; Y581-I603 CarbonylContact C-O 3.55Å; Y581-I603 WeakPolarHBondContact CA-O 3.4Å; Y581-I603 HydrophobicContact CD1-CB 3.56Å; Y581-I603 HydrophobicContact CD1-CD1 4.03Å; Y581-I603 HydrophobicContact CD1-CG1 3.97Å; Y581-I603 HydrophobicContact CD1-CG2 3.77Å; Y581-I603 HydrophobicContact CE1-CB 3.89Å; Y581-I603 HydrophobicContact CE1-CD1 3.75Å; Y581-I603 HydrophobicContact CE1-CG1 3.78Å; Y581-I603 HydrophobicContact CE1-CG2 4.06Å; Y581-I603 HydrophobicContact CG-CB 4.42Å; Y581-L605 HydrophobicContact CD1-CD1 3.78Å; Y581-L605 HydrophobicContact CD1-CD2 4.26Å; Y581-L605 HydrophobicContact CD1-CG 3.98Å; Y581-L605 HydrophobicContact CG-CD1 4.12Å; Y581-I618 HydrophobicContact CD1-CG1 4.07Å; Y581-I618 HydrophobicContact CE1-CG1 3.71Å; Y581-I618 HydrophobicContact CE2-CG1 4.4Å; Y581-D621 VanDerWaalsContact OH-CB 3.29Å; Y581-D621 WeakPolarHBondContact OH-CB 3.5Å; Y581-D621 PolarHBondContact OH-OD2 2.81Å; Y581-I623 HydrophobicContact CE2-CD1 4.26Å; Y581-I623 HydrophobicContact CE2-CG1 4.13Å; Y581-I623 WeakPolarHBondContact OH-CD1 3.45Å; Y581-I623 VanDerWaalsContact OH-CG1 3.22Å; Y581-I623 WeakPolarHBondContact OH-CG1 3.46Å; Y581-L626 HydrophobicContact CD2-CD1 4.38Å; Y581-L626 HydrophobicContact CE2-CD1 4.18Å |
| 582 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 126.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S552 F555 R592 F602 I603 L605 S606 | S552-A582 WeakPolarHBondContact O-CA 3.38Å; F555-A582 HydrophobicContact CD2-CB 4.17Å; A582-R592 VanDerWaalsContact CB-NH1 3.27Å; A582-F602 HydrophobicContact CB-CE1 3.84Å; A582-F602 HydrophobicContact CB-CZ 3.72Å; A582-I603 PolarHBondContact N-O 3.3Å; A582-L605 CarbonylContact O-C 3.49Å; A582-L605 WeakPolarHBondContact O-CA 3.29Å; A582-L605 WeakPolarHBondContact O-CB 3.45Å; A582-L605 PolarHBondContact O-N 3.45Å; A582-S606 PolarHBondContact O-N 3.12Å; A582-S606 VanDerWaalsContact O-N 3.17Å |
| 583 | L | 98.2 | Very high | 98.1 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -92.9 | -11.1 | 173.4 | -54.8 | -177 | 0 | 0 | 0 | 112.7 | V551 S552 L605 R637 L640 | V551-L583 HydrophobicContact CG1-CD1 3.88Å; V551-L583 HydrophobicContact CG1-CD2 3.71Å; V551-L583 HydrophobicContact CG1-CG 3.84Å; S552-L583 PolarHBondContact O-N 2.98Å; L583-L605 HydrophobicContact CD2-CB 4.06Å; L583-L605 HydrophobicContact CD2-CD1 4.06Å; L583-R637 HydrophobicContact CD1-CB 4.05Å; L583-R637 HydrophobicContact CD1-CG 4.44Å; L583-L640 HydrophobicContact CD2-CD1 3.82Å |
| 584 | S | 96.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -113.2 | 150.3 | 179 | 56.9 | 0 | 0 | 0 | 0 | 112 | S553 R592 S606 | S553-S584 WeakPolarHBondContact O-CB 3.45Å; S553-S584 PolarHBondContact O-OG 3.34Å; S584-R592 PolarHBondContact O-NH1 2.82Å; S584-R592 PolarHBondContact O-NH2 3.11Å; S584-S606 VanDerWaalsContact C-CB 3.42Å |
| 585 | P | 95.5 | Very high | 98.1 | Very high | 89 Ų | 89 | 32.8 Ų | 32.8 | 58% | 0.578 | 19% | 0.188 | S | C | * | . | trans | -56.9 | 152.9 | 170.1 | -21.9 | 33.2 | 0 | 0 | 0 | 111.6 | D587 | P585-D587 PolarHBondContact O-N 3.4Š| ||
| 586 | D | 97.7 | Very high | 98.1 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | trans | -61 | 128.4 | 172.7 | -167.3 | -18.5 | 0 | 0 | 0 | 110.7 | G588 R592 | D586-G588 PolarHBondContact OD1-N 3.15Å; D586-R592 HydrophobicContact CB-CG 4.43Å; D586-R592 WeakPolarHBondContact OD1-CG 3.31Å | ||
| 587 | D | 97.1 | Very high | 98.1 | Very high | 76 Ų | 76 | 34.3 Ų | 34.3 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | trans | -95.5 | 0.9 | 178.9 | 68.6 | -1 | 0 | 0 | 0 | 113.2 | G556 N557 P585 T589 | G556-D587 WeakPolarHBondContact CA-OD2 3.32Å; N557-D587 PolarHBondContact N-OD2 3.49Å; P585-D587 PolarHBondContact O-N 3.4Å; D587-T589 VanDerWaalsContact C-N 3.26Å; D587-T589 HydrophobicContact CB-CG2 4.39Å; D587-T589 PolarHBondContact O-N 2.97Å; D587-T589 VanDerWaalsContact OD1-CB 3.27Å; D587-T589 WeakPolarHBondContact OD1-CB 3.5Å; D587-T589 WeakPolarHBondContact OD1-CG2 3.36Å; D587-T589 PolarHBondContact OD1-N 3.24Å; D587-T589 PolarHBondContact OD1-OG1 2.87Å; D587-T589 WeakPolarHBondContact OD2-CG2 3.39Å; D587-T589 PolarHBondContact OD2-OG1 2.65Å | ||
| 588 | G | 97.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | trans | 74.7 | 9.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D586 | D586-G588 PolarHBondContact OD1-N 3.15Š| ||
| 589 | T | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | trans | -78.9 | 151.5 | -178.4 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | N557 D587 F591 R592 V593 E811 | N557-T589 HydrophobicContact CB-CG2 3.88Å; D587-T589 VanDerWaalsContact C-N 3.26Å; D587-T589 HydrophobicContact CB-CG2 4.39Å; D587-T589 PolarHBondContact O-N 2.97Å; D587-T589 VanDerWaalsContact OD1-CB 3.27Å; D587-T589 WeakPolarHBondContact OD1-CB 3.5Å; D587-T589 WeakPolarHBondContact OD1-CG2 3.36Å; D587-T589 PolarHBondContact OD1-N 3.24Å; D587-T589 PolarHBondContact OD1-OG1 2.87Å; D587-T589 WeakPolarHBondContact OD2-CG2 3.39Å; D587-T589 PolarHBondContact OD2-OG1 2.65Å; T589-F591 PolarHBondContact O-N 2.92Å; T589-R592 PolarHBondContact O-N 2.62Å; T589-R592 PolarHBondContact OG1-N 2.66Å; T589-V593 PolarHBondContact O-N 3.11Å; T589-V593 VanDerWaalsContact O-N 3.13Å; T589-E811 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 590 | N | 98.3 | Very high | 98 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -27.1 | 174.7 | -67.8 | 3 | 0 | 0 | 0 | 111.8 | K594 K806 E811 | N590-K594 WeakPolarHBondContact O-CB 3.25Å; N590-K594 PolarHBondContact O-N 3.1Å; N590-K806 PolarHBondContact OD1-NZ 3.33Å; N590-E811 HydrophobicContact CB-CB 3.78Å; N590-E811 HydrophobicContact CB-CG 3.96Å; N590-E811 PolarHBondContact N-OE2 3.07Å; N590-E811 PolarHBondContact ND2-O 2.91Å; N590-E811 VanDerWaalsContact ND2-O 3.14Å; N590-E811 PolarHBondContact OD1-OE2 3.35Å |
| 591 | F | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 175.7 | -51.2 | -45.1 | 0 | 0 | 0 | 111.2 | N557 H562 T589 K594 V595 M701 G810 E811 | N557-F591 HydrophobicContact CB-CD2 4.42Å; H562-F591 AromaticContact CD2-CD2 3.84Å; H562-F591 AromaticContact CD2-CE2 3.55Å; H562-F591 AromaticContact CD2-CZ 3.83Å; H562-F591 AromaticContact NE2-CD2 3.71Å; H562-F591 AromaticContact NE2-CE2 3.28Å; H562-F591 VanDerWaalsContact NE2-CE2 3.28Å; H562-F591 WeakPolarHBondContact NE2-CE2 3.29Å; H562-F591 AromaticContact NE2-CZ 3.93Å; T589-F591 PolarHBondContact O-N 2.92Å; F591-K594 PolarHBondContact O-N 2.86Å; F591-V595 WeakPolarHBondContact O-CG2 3.5Å; F591-V595 PolarHBondContact O-N 3.26Å; F591-M701 HydrophobicContact CE1-CE 3.63Å; F591-M701 HydrophobicContact CZ-CE 3.63Å; F591-G810 WeakPolarHBondContact CE1-O 3.44Å; F591-E811 HydrophobicContact CD1-CG 4.37Å; F591-E811 HydrophobicContact CD2-CG 4.14Å; F591-E811 HydrophobicContact CE1-CB 4.42Å; F591-E811 HydrophobicContact CE1-CG 4.03Å; F591-E811 HydrophobicContact CE2-CG 3.75Å; F591-E811 HydrophobicContact CG-CG 4.46Å; F591-E811 HydrophobicContact CZ-CB 4.37Å; F591-E811 HydrophobicContact CZ-CG 3.71Å |
| 592 | R | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 176.6 | 178.9 | 48.6 | 168.5 | -112 | -3.5 | 110.9 | F555 A582 S584 D586 T589 K594 V595 M596 F602 | F555-R592 WeakPolarHBondContact O-CD 3.4Å; F555-R592 PolarHBondContact O-NH1 2.7Å; A582-R592 VanDerWaalsContact CB-NH1 3.27Å; S584-R592 PolarHBondContact O-NH1 2.82Å; S584-R592 PolarHBondContact O-NH2 3.11Å; D586-R592 HydrophobicContact CB-CG 4.43Å; D586-R592 WeakPolarHBondContact OD1-CG 3.31Å; T589-R592 PolarHBondContact O-N 2.62Å; T589-R592 PolarHBondContact OG1-N 2.66Å; R592-K594 VanDerWaalsContact C-N 3.34Å; R592-K594 PolarHBondContact O-N 2.87Å; R592-V595 PolarHBondContact O-N 3.38Å; R592-M596 HydrophobicContact CG-SD 3.82Å; R592-M596 WeakPolarHBondContact O-CB 3.4Å; R592-M596 WeakPolarHBondContact O-CG 3.5Å; R592-M596 PolarHBondContact O-N 3.39Å; R592-F602 VanDerWaalsContact CZ-CZ 3.44Å |
| 593 | V | 98.4 | Very high | 98 | Very high | 80 Ų | 80 | 46 Ų | 46 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | T589 M596 A597 | T589-V593 PolarHBondContact O-N 3.11Å; T589-V593 VanDerWaalsContact O-N 3.13Å; V593-M596 PolarHBondContact O-N 3.26Å; V593-A597 WeakPolarHBondContact O-CB 3.46Å; V593-A597 PolarHBondContact O-N 3.42Å |
| 594 | K | 98.3 | Very high | 98 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -51.7 | 177.8 | 176.4 | -179.4 | 159.2 | 74.1 | 0 | 111.2 | Q565 S566 N590 F591 R592 M596 A597 E598 | Q565-K594 HydrophobicContact CG-CD 4.49Å; S566-K594 VanDerWaalsContact OG-CE 3.28Å; S566-K594 WeakPolarHBondContact OG-CE 3.46Å; S566-K594 PolarHBondContact OG-NZ 3Å; N590-K594 WeakPolarHBondContact O-CB 3.25Å; N590-K594 PolarHBondContact O-N 3.1Å; F591-K594 PolarHBondContact O-N 2.86Å; R592-K594 VanDerWaalsContact C-N 3.34Å; R592-K594 PolarHBondContact O-N 2.87Å; K594-M596 VanDerWaalsContact C-N 3.27Å; K594-M596 PolarHBondContact O-N 2.91Å; K594-A597 PolarHBondContact O-N 3.11Å; K594-A597 VanDerWaalsContact O-N 3.14Å; K594-E598 WeakPolarHBondContact CE-OE2 3.47Å; K594-E598 HydrophobicContact CG-CG 4.33Å; K594-E598 VanDerWaalsContact NZ-CD 3.26Å; K594-E598 IonicContact NZ-OE1 3.3Å; K594-E598 PolarHBondContact NZ-OE1 3.27Å; K594-E598 IonicContact NZ-OE2 2.64Å; K594-E598 PolarHBondContact NZ-OE2 2.88Å; K594-E598 VanDerWaalsContact NZ-OE2 3.16Å; K594-E598 WeakPolarHBondContact O-CB 3.32Å; K594-E598 WeakPolarHBondContact O-CG 3.49Å; K594-E598 PolarHBondContact O-N 3.35Å |
| 595 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 179 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | F555 Q565 P568 C580 F591 R592 A597 E598 A599 F602 | F555-V595 HydrophobicContact CD1-CG1 3.91Å; F555-V595 HydrophobicContact CE1-CG1 4.05Å; F555-V595 HydrophobicContact CG-CG1 4.49Å; Q565-V595 HydrophobicContact CB-CG2 3.78Å; P568-V595 HydrophobicContact CG-CG1 4.25Å; C580-V595 HydrophobicContact CB-CG1 4.27Å; F591-V595 WeakPolarHBondContact O-CG2 3.5Å; F591-V595 PolarHBondContact O-N 3.26Å; R592-V595 PolarHBondContact O-N 3.38Å; V595-A597 VanDerWaalsContact C-N 3.33Å; V595-A597 PolarHBondContact O-N 3.39Å; V595-E598 PolarHBondContact O-N 3.46Å; V595-A599 WeakPolarHBondContact O-CB 3.48Å; V595-A599 PolarHBondContact O-N 2.98Å; V595-F602 HydrophobicContact CG1-CD2 4.39Å; V595-F602 HydrophobicContact CG1-CE2 3.99Å |
| 596 | M | 98.3 | Very high | 98.1 | Very high | 73 Ų | 73 | 43.6 Ų | 43.6 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 174.7 | -73.9 | 173.2 | 66.5 | 0 | 0 | 113.2 | R592 V593 K594 F602 | R592-M596 HydrophobicContact CG-SD 3.82Å; R592-M596 WeakPolarHBondContact O-CB 3.4Å; R592-M596 WeakPolarHBondContact O-CG 3.5Å; R592-M596 PolarHBondContact O-N 3.39Å; V593-M596 PolarHBondContact O-N 3.26Å; K594-M596 VanDerWaalsContact C-N 3.27Å; K594-M596 PolarHBondContact O-N 2.91Å; M596-F602 VanDerWaalsContact CA-CD2 3.45Å; M596-F602 HydrophobicContact CB-CB 4.45Å; M596-F602 HydrophobicContact CB-CD1 4.49Å; M596-F602 HydrophobicContact CB-CD2 4.05Å; M596-F602 HydrophobicContact CB-CE2 4.41Å; M596-F602 HydrophobicContact CB-CG 4.07Å; M596-F602 HydrophobicContact CE-CD1 4.42Å; M596-F602 HydrophobicContact CG-CB 4.38Å; M596-F602 HydrophobicContact CG-CD1 3.57Å; M596-F602 HydrophobicContact CG-CD2 3.54Å; M596-F602 HydrophobicContact CG-CE1 3.57Å; M596-F602 HydrophobicContact CG-CE2 3.53Å; M596-F602 HydrophobicContact CG-CG 3.54Å; M596-F602 HydrophobicContact CG-CZ 3.54Å; M596-F602 HydrophobicContact SD-CD1 4.42Å; M596-F602 HydrophobicContact SD-CE1 4.17Å; M596-F602 HydrophobicContact SD-CZ 4.41Å |
| 597 | A | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 69% | 0.694 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -79.8 | -29.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V593 K594 V595 | V593-A597 WeakPolarHBondContact O-CB 3.46Å; V593-A597 PolarHBondContact O-N 3.42Å; K594-A597 PolarHBondContact O-N 3.11Å; K594-A597 VanDerWaalsContact O-N 3.14Å; V595-A597 VanDerWaalsContact C-N 3.33Å; V595-A597 PolarHBondContact O-N 3.39Å |
| 598 | E | 98.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -88.4 | -28.1 | -174.8 | -77.5 | -174.2 | -177.2 | 0 | 0 | 114 | K594 V595 | K594-E598 WeakPolarHBondContact CE-OE2 3.47Å; K594-E598 HydrophobicContact CG-CG 4.33Å; K594-E598 VanDerWaalsContact NZ-CD 3.26Å; K594-E598 IonicContact NZ-OE1 3.3Å; K594-E598 PolarHBondContact NZ-OE1 3.27Å; K594-E598 IonicContact NZ-OE2 2.64Å; K594-E598 PolarHBondContact NZ-OE2 2.88Å; K594-E598 VanDerWaalsContact NZ-OE2 3.16Å; K594-E598 WeakPolarHBondContact O-CB 3.32Å; K594-E598 WeakPolarHBondContact O-CG 3.49Å; K594-E598 PolarHBondContact O-N 3.35Å; V595-E598 PolarHBondContact O-N 3.46Å |
| 599 | A | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -65.9 | 143.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | V578 C580 V595 H601 | V578-A599 HydrophobicContact CG1-CB 4.4Å; C580-A599 HydrophobicContact CB-CB 3.99Å; V595-A599 WeakPolarHBondContact O-CB 3.48Å; V595-A599 PolarHBondContact O-N 2.98Å; A599-H601 WeakPolarHBondContact CB-O 3.19Å; A599-H601 PolarHBondContact O-N 3.08Å |
| 600 | N | 98.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -62.8 | -35.7 | 172.4 | -57.1 | 123.9 | 0 | 0 | 0 | 110.9 | E577 V578 | E577-N600 WeakPolarHBondContact CA-OD1 3.4Å; E577-N600 HydrophobicContact CG-CB 4.24Å; V578-N600 PolarHBondContact N-OD1 3.41Å; V578-N600 WeakPolarHBondContact O-CB 3.4Å; V578-N600 PolarHBondContact O-N 3.48Å; V578-N600 VanDerWaalsContact O-N 3.14Å |
| 601 | H | 98.8 | Very high | 96.9 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.4 | 175.5 | -55.3 | -80.8 | 0 | 0 | 0 | 110.2 | E577 V578 F579 C580 A599 I603 | E577-H601 IonicContact OE1-CD2 3.7Å; E577-H601 IonicContact OE1-CE1 3.82Å; E577-H601 IonicContact OE1-NE2 2.8Å; E577-H601 PolarHBondContact OE1-NE2 3.19Å; V578-H601 PolarHBondContact O-N 3.09Å; F579-H601 CarbonylContact C-O 3.48Å; F579-H601 WeakPolarHBondContact CA-O 3.5Å; F579-H601 HydrophobicContact CD1-CB 3.49Å; F579-H601 VanDerWaalsContact CD1-CB 3.49Å; F579-H601 AromaticContact CD1-CD2 3.79Å; F579-H601 AromaticContact CD1-CG 3.8Å; F579-H601 HydrophobicContact CE1-CB 3.77Å; F579-H601 AromaticContact CE1-CD2 3.3Å; F579-H601 WeakPolarHBondContact CE1-CD2 3.47Å; F579-H601 AromaticContact CE1-CG 3.52Å; F579-H601 AromaticContact CE1-NE2 3.98Å; F579-H601 AromaticContact CE2-CD2 3.72Å; F579-H601 HydrophobicContact CG-CB 4.05Å; F579-H601 AromaticContact CZ-CD2 3.26Å; F579-H601 WeakPolarHBondContact CZ-CD2 3.38Å; F579-H601 AromaticContact CZ-CG 3.98Å; F579-H601 AromaticContact CZ-NE2 3.72Å; C580-H601 PolarHBondContact N-O 3.19Å; A599-H601 WeakPolarHBondContact CB-O 3.19Å; A599-H601 PolarHBondContact O-N 3.08Å; H601-I603 HydrophobicContact CB-CD1 3.99Å |
| 602 | F | 98.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.4 | 172.5 | -163.8 | -82.5 | 0 | 0 | 0 | 110.8 | F555 C580 A582 R592 V595 M596 | F555-F602 HydrophobicContact CD2-CE2 4.4Å; F555-F602 HydrophobicContact CD2-CZ 4.43Å; C580-F602 HydrophobicContact CB-CD2 3.56Å; C580-F602 HydrophobicContact CB-CE2 3.81Å; C580-F602 HydrophobicContact CB-CG 4.49Å; A582-F602 HydrophobicContact CB-CE1 3.84Å; A582-F602 HydrophobicContact CB-CZ 3.72Å; R592-F602 VanDerWaalsContact CZ-CZ 3.44Å; V595-F602 HydrophobicContact CG1-CD2 4.39Å; V595-F602 HydrophobicContact CG1-CE2 3.99Å; M596-F602 VanDerWaalsContact CA-CD2 3.45Å; M596-F602 HydrophobicContact CB-CB 4.45Å; M596-F602 HydrophobicContact CB-CD1 4.49Å; M596-F602 HydrophobicContact CB-CD2 4.05Å; M596-F602 HydrophobicContact CB-CE2 4.41Å; M596-F602 HydrophobicContact CB-CG 4.07Å; M596-F602 HydrophobicContact CE-CD1 4.42Å; M596-F602 HydrophobicContact CG-CB 4.38Å; M596-F602 HydrophobicContact CG-CD1 3.57Å; M596-F602 HydrophobicContact CG-CD2 3.54Å; M596-F602 HydrophobicContact CG-CE1 3.57Å; M596-F602 HydrophobicContact CG-CE2 3.53Å; M596-F602 HydrophobicContact CG-CG 3.54Å; M596-F602 HydrophobicContact CG-CZ 3.54Å; M596-F602 HydrophobicContact SD-CD1 4.42Å; M596-F602 HydrophobicContact SD-CE1 4.17Å; M596-F602 HydrophobicContact SD-CZ 4.41Å |
| 603 | I | 98.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 118.3 | -171.1 | -55.9 | 87.6 | 0 | 0 | 0 | 108.9 | F579 C580 Y581 A582 H601 L605 R617 | F579-I603 HydrophobicContact CB-CD1 4.09Å; F579-I603 HydrophobicContact CD1-CD1 3.94Å; C580-I603 PolarHBondContact O-N 3.4Å; Y581-I603 CarbonylContact C-O 3.55Å; Y581-I603 WeakPolarHBondContact CA-O 3.4Å; Y581-I603 HydrophobicContact CD1-CB 3.56Å; Y581-I603 HydrophobicContact CD1-CD1 4.03Å; Y581-I603 HydrophobicContact CD1-CG1 3.97Å; Y581-I603 HydrophobicContact CD1-CG2 3.77Å; Y581-I603 HydrophobicContact CE1-CB 3.89Å; Y581-I603 HydrophobicContact CE1-CD1 3.75Å; Y581-I603 HydrophobicContact CE1-CG1 3.78Å; Y581-I603 HydrophobicContact CE1-CG2 4.06Å; Y581-I603 HydrophobicContact CG-CB 4.42Å; A582-I603 PolarHBondContact N-O 3.3Å; H601-I603 HydrophobicContact CB-CD1 3.99Å; I603-L605 HydrophobicContact CG2-CD2 3.68Å; I603-L605 HydrophobicContact CG2-CG 4.14Å; I603-L605 PolarHBondContact O-N 3.28Å; I603-R617 HydrophobicContact CG2-CG 4.28Å |
| 604 | D | 98.4 | Very high | 96.7 | Very high | 52 Ų | 52 | 51.5 Ų | 51.5 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 95.2 | 174.2 | -171.8 | 7.1 | 0 | 0 | 0 | 111.2 | S606 Q607 | D604-S606 VanDerWaalsContact C-N 3.28Å; D604-S606 VanDerWaalsContact CG-OG 3.24Å; D604-S606 WeakPolarHBondContact OD1-CB 3.42Å; D604-S606 PolarHBondContact OD1-N 3.19Å; D604-S606 PolarHBondContact OD1-OG 3.48Å; D604-S606 PolarHBondContact OD2-OG 2.97Å; D604-Q607 WeakPolarHBondContact OD2-CG 3.27Å; D604-Q607 PolarHBondContact OD2-NE2 3.43Å |
| 605 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -80.9 | -6.9 | 174.6 | -61 | -175.8 | 0 | 0 | 0 | 112.8 | Y581 A582 L583 I603 Q607 I608 A614 R617 I618 R637 L640 | Y581-L605 HydrophobicContact CD1-CD1 3.78Å; Y581-L605 HydrophobicContact CD1-CD2 4.26Å; Y581-L605 HydrophobicContact CD1-CG 3.98Å; Y581-L605 HydrophobicContact CG-CD1 4.12Å; A582-L605 CarbonylContact O-C 3.49Å; A582-L605 WeakPolarHBondContact O-CA 3.29Å; A582-L605 WeakPolarHBondContact O-CB 3.45Å; A582-L605 PolarHBondContact O-N 3.45Å; L583-L605 HydrophobicContact CD2-CB 4.06Å; L583-L605 HydrophobicContact CD2-CD1 4.06Å; I603-L605 HydrophobicContact CG2-CD2 3.68Å; I603-L605 HydrophobicContact CG2-CG 4.14Å; I603-L605 PolarHBondContact O-N 3.28Å; L605-Q607 PolarHBondContact O-N 2.89Å; L605-I608 HydrophobicContact CD2-CD1 4Å; L605-I608 CarbonylContact O-C 3.53Å; L605-I608 PolarHBondContact O-N 2.97Å; L605-A614 HydrophobicContact CD1-CB 4.33Å; L605-A614 HydrophobicContact CD2-CB 4.17Å; L605-R617 HydrophobicContact CD2-CG 4.41Å; L605-I618 HydrophobicContact CD1-CD1 4.22Å; L605-R637 PolarHBondContact O-NH1 3.08Å; L605-L640 HydrophobicContact CD1-CD1 4.09Å |
| 606 | S | 95.7 | Very high | 96.7 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -63.1 | -27.8 | 174.4 | 76.9 | 0 | 0 | 0 | 0 | 111.8 | A582 S584 D604 I608 | A582-S606 PolarHBondContact O-N 3.12Å; A582-S606 VanDerWaalsContact O-N 3.17Å; S584-S606 VanDerWaalsContact C-CB 3.42Å; D604-S606 VanDerWaalsContact C-N 3.28Å; D604-S606 VanDerWaalsContact CG-OG 3.24Å; D604-S606 WeakPolarHBondContact OD1-CB 3.42Å; D604-S606 PolarHBondContact OD1-N 3.19Å; D604-S606 PolarHBondContact OD1-OG 3.48Å; D604-S606 PolarHBondContact OD2-OG 2.97Å; S606-I608 VanDerWaalsContact C-N 3.26Å; S606-I608 PolarHBondContact O-N 3.18Å |
| 607 | Q | 94.5 | Very high | 96.7 | Very high | 135 Ų | 135 | 51.9 Ų | 51.9 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -77.8 | -8.5 | 174.2 | -52.6 | -53.1 | -41.5 | 0 | 0 | 113.5 | D604 L605 P609 | D604-Q607 WeakPolarHBondContact OD2-CG 3.27Å; D604-Q607 PolarHBondContact OD2-NE2 3.43Å; L605-Q607 PolarHBondContact O-N 2.89Å; Q607-P609 WeakPolarHBondContact O-CD 3.36Å |
| 608 | I | 95.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 23% | 0.226 | 25% | 0.246 | C | C | . | . | trans | -114.8 | 82.9 | -177.5 | -49.9 | -178 | 0 | 0 | 0 | 108.9 | L605 S606 C610 K613 A614 R637 | L605-I608 HydrophobicContact CD2-CD1 4Å; L605-I608 CarbonylContact O-C 3.53Å; L605-I608 PolarHBondContact O-N 2.97Å; S606-I608 VanDerWaalsContact C-N 3.26Å; S606-I608 PolarHBondContact O-N 3.18Å; I608-C610 VanDerWaalsContact C-N 3.26Å; I608-C610 PolarHBondContact O-N 3.26Å; I608-K613 HydrophobicContact CG2-CB 3.7Å; I608-A614 HydrophobicContact CB-CB 4.46Å; I608-A614 HydrophobicContact CG2-CB 4.08Å; I608-R637 VanDerWaalsContact O-CZ 3.3Å; I608-R637 PolarHBondContact O-NH1 3.17Å; I608-R637 PolarHBondContact O-NH2 3.24Å | ||
| 609 | P | 87.3 | Confident | 96.7 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 73% | 0.734 | 24% | 0.244 | S | C | * | . | trans | -65.9 | -29.1 | -177.3 | 25.1 | -34.2 | 0 | 0 | 0 | 112.5 | Q607 N611 R637 | Q607-P609 WeakPolarHBondContact O-CD 3.36Å; P609-N611 PolarHBondContact O-N 3.23Å; P609-R637 PolarHBondContact O-NH2 3.43Å | ||
| 610 | C | 91.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 35% | 0.345 | 27% | 0.272 | S | S | . | . | trans | -72.5 | 115.7 | 177.5 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | I608 G612 K613 A614 | I608-C610 VanDerWaalsContact C-N 3.26Å; I608-C610 PolarHBondContact O-N 3.26Å; C610-G612 VanDerWaalsContact C-N 3.3Å; C610-G612 PolarHBondContact O-N 3.31Å; C610-K613 HydrophobicContact CB-CB 4.2Å; C610-K613 HydrophobicContact CB-CD 4.21Å; C610-K613 HydrophobicContact CB-CG 4.14Å; C610-K613 PolarHBondContact O-N 3.37Å; C610-A614 PolarHBondContact O-N 3.37Å; C610-A614 VanDerWaalsContact O-N 3.09Å | ||
| 611 | N | 93.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -38.5 | 176.6 | -70.2 | -29.1 | 0 | 0 | 0 | 112.9 | P609 K613 A614 A615 R637 E639 L640 L643 | P609-N611 PolarHBondContact O-N 3.23Å; N611-K613 PolarHBondContact O-N 2.96Å; N611-A614 PolarHBondContact O-N 2.95Å; N611-A615 WeakPolarHBondContact O-CB 3.47Å; N611-A615 PolarHBondContact O-N 2.89Å; N611-R637 VanDerWaalsContact OD1-CZ 3.26Å; N611-R637 PolarHBondContact OD1-NE 3.02Å; N611-R637 PolarHBondContact OD1-NH2 3.49Å; N611-E639 HydrophobicContact CB-CB 4.42Å; N611-E639 WeakPolarHBondContact ND2-CB 3.45Å; N611-L640 HydrophobicContact CB-CD2 3.97Å; N611-L640 WeakPolarHBondContact O-CD2 3.42Å; N611-L643 HydrophobicContact CB-CD1 4.42Å |
| 612 | G | 95.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C610 A615 D616 | C610-G612 VanDerWaalsContact C-N 3.3Å; C610-G612 PolarHBondContact O-N 3.31Å; G612-A615 PolarHBondContact O-N 3.25Å; G612-D616 VanDerWaalsContact O-CG 3.28Å; G612-D616 PolarHBondContact O-N 3.05Å; G612-D616 VanDerWaalsContact O-OD2 3.08Å |
| 613 | K | 96.8 | Very high | 96.7 | Very high | 143 Ų | 143 | 46.6 Ų | 46.6 | 62% | 0.622 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.5 | -38.2 | 177.8 | -69.2 | -175.8 | 178.7 | -177.9 | 0 | 112.6 | I608 C610 N611 D616 R617 | I608-K613 HydrophobicContact CG2-CB 3.7Å; C610-K613 HydrophobicContact CB-CB 4.2Å; C610-K613 HydrophobicContact CB-CD 4.21Å; C610-K613 HydrophobicContact CB-CG 4.14Å; C610-K613 PolarHBondContact O-N 3.37Å; N611-K613 PolarHBondContact O-N 2.96Å; K613-D616 PolarHBondContact O-N 2.99Å; K613-R617 PolarHBondContact O-N 3.43Å |
| 614 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L605 I608 C610 N611 R617 I618 L640 | L605-A614 HydrophobicContact CD1-CB 4.33Å; L605-A614 HydrophobicContact CD2-CB 4.17Å; I608-A614 HydrophobicContact CB-CB 4.46Å; I608-A614 HydrophobicContact CG2-CB 4.08Å; C610-A614 PolarHBondContact O-N 3.37Å; C610-A614 VanDerWaalsContact O-N 3.09Å; N611-A614 PolarHBondContact O-N 2.95Å; A614-R617 WeakPolarHBondContact O-CB 3.35Å; A614-R617 PolarHBondContact O-N 2.89Å; A614-I618 WeakPolarHBondContact O-CG1 3.43Å; A614-I618 PolarHBondContact O-N 3.03Å; A614-I618 VanDerWaalsContact O-N 3.09Å; A614-L640 HydrophobicContact CB-CD1 4.5Å; A614-L640 HydrophobicContact CB-CD2 3.59Å |
| 615 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y533 N611 G612 R617 I618 H619 L643 P645 | Y533-A615 HydrophobicContact CE2-CB 4.22Å; Y533-A615 VanDerWaalsContact OH-C 3.22Å; Y533-A615 WeakPolarHBondContact OH-CB 3.35Å; N611-A615 WeakPolarHBondContact O-CB 3.47Å; N611-A615 PolarHBondContact O-N 2.89Å; G612-A615 PolarHBondContact O-N 3.25Å; A615-R617 VanDerWaalsContact C-N 3.27Å; A615-R617 PolarHBondContact O-N 3.2Å; A615-I618 PolarHBondContact O-N 3.41Å; A615-H619 PolarHBondContact O-N 3.43Å; A615-L643 HydrophobicContact CB-CB 3.97Å; A615-L643 HydrophobicContact CB-CD1 3.56Å; A615-L643 HydrophobicContact CB-CG 4.38Å; A615-P645 HydrophobicContact CB-CB 4.37Å; A615-P645 HydrophobicContact CB-CG 4.45Å; A615-P645 WeakPolarHBondContact O-CB 3.39Å |
| 616 | D | 98.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.8 | -40 | 173.4 | -73.8 | -39.6 | 0 | 0 | 0 | 111.3 | K530 Y533 G612 K613 H619 Q620 | K530-D616 WeakPolarHBondContact CE-OD1 3.44Å; K530-D616 IonicContact NZ-OD1 2.87Å; K530-D616 PolarHBondContact NZ-OD1 3.27Å; K530-D616 IonicContact NZ-OD2 3.92Å; K530-D616 PolarHBondContact NZ-OD2 3.23Å; Y533-D616 WeakPolarHBondContact CE1-OD1 3.32Å; Y533-D616 PolarHBondContact OH-N 3.4Å; Y533-D616 VanDerWaalsContact OH-N 3.16Å; Y533-D616 PolarHBondContact OH-OD1 2.84Å; G612-D616 VanDerWaalsContact O-CG 3.28Å; G612-D616 PolarHBondContact O-N 3.05Å; G612-D616 VanDerWaalsContact O-OD2 3.08Å; K613-D616 PolarHBondContact O-N 2.99Å; D616-H619 PolarHBondContact O-N 3.22Å; D616-Q620 WeakPolarHBondContact O-CB 3Å; D616-Q620 WeakPolarHBondContact O-CG 3.47Å; D616-Q620 PolarHBondContact O-N 3.49Å |
| 617 | R | 98.7 | Very high | 97 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 174.7 | 172 | 58.7 | -163.3 | -85 | 2.4 | 112 | I603 L605 K613 A614 A615 H619 Q620 D621 | I603-R617 HydrophobicContact CG2-CG 4.28Å; L605-R617 HydrophobicContact CD2-CG 4.41Å; K613-R617 PolarHBondContact O-N 3.43Å; A614-R617 WeakPolarHBondContact O-CB 3.35Å; A614-R617 PolarHBondContact O-N 2.89Å; A615-R617 VanDerWaalsContact C-N 3.27Å; A615-R617 PolarHBondContact O-N 3.2Å; R617-H619 VanDerWaalsContact C-N 3.28Å; R617-H619 PolarHBondContact O-N 2.96Å; R617-Q620 PolarHBondContact O-N 2.92Å; R617-D621 IonicContact CZ-OD1 3.41Å; R617-D621 IonicContact CZ-OD2 2.7Å; R617-D621 VanDerWaalsContact NE-CG 3.29Å; R617-D621 IonicContact NE-OD1 3.04Å; R617-D621 PolarHBondContact NE-OD1 3.39Å; R617-D621 IonicContact NE-OD2 3.34Å; R617-D621 PolarHBondContact NE-OD2 3.39Å; R617-D621 IonicContact NH2-OD1 3.78Å; R617-D621 PolarHBondContact NH2-OD1 3.34Å; R617-D621 IonicContact NH2-OD2 2.82Å; R617-D621 PolarHBondContact NH2-OD2 2.9Å; R617-D621 VanDerWaalsContact NH2-OD2 3.1Å; R617-D621 PolarHBondContact O-N 2.89Å |
| 618 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 178 | -64.8 | 164.2 | 0 | 0 | 0 | 110.8 | Y581 L605 A614 A615 D621 G622 I623 L626 P645 | Y581-I618 HydrophobicContact CD1-CG1 4.07Å; Y581-I618 HydrophobicContact CE1-CG1 3.71Å; Y581-I618 HydrophobicContact CE2-CG1 4.4Å; L605-I618 HydrophobicContact CD1-CD1 4.22Å; A614-I618 WeakPolarHBondContact O-CG1 3.43Å; A614-I618 PolarHBondContact O-N 3.03Å; A614-I618 VanDerWaalsContact O-N 3.09Å; A615-I618 PolarHBondContact O-N 3.41Å; I618-D621 PolarHBondContact O-N 3.49Å; I618-G622 PolarHBondContact O-N 3.08Å; I618-I623 HydrophobicContact CG2-CB 4.2Å; I618-I623 HydrophobicContact CG2-CG1 3.91Å; I618-L626 HydrophobicContact CD1-CD2 4.36Å; I618-L626 HydrophobicContact CG2-CD1 3.8Å; I618-L626 HydrophobicContact CG2-CD2 4.14Å; I618-P645 HydrophobicContact CB-CB 3.97Å; I618-P645 HydrophobicContact CB-CG 4.02Å; I618-P645 HydrophobicContact CD1-CG 4.27Å; I618-P645 HydrophobicContact CG2-CB 3.82Å; I618-P645 HydrophobicContact CG2-CG 3.7Å |
| 619 | H | 98.7 | Very high | 97.3 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 27% | 0.269 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66 | -42.7 | 176.7 | 179.5 | -107.6 | 0 | 0 | 0 | 112.4 | Y533 E534 A615 D616 R617 D621 G622 P645 | Y533-H619 HydrophobicContact CD1-CB 3.56Å; Y533-H619 AromaticContact CD1-CD2 3.58Å; Y533-H619 AromaticContact CD1-CG 3.25Å; Y533-H619 AromaticContact CD1-ND1 3.59Å; Y533-H619 HydrophobicContact CE1-CB 3.65Å; Y533-H619 AromaticContact CE1-CG 3.83Å; Y533-H619 HydrophobicContact CG-CB 4.21Å; Y533-H619 AromaticContact CG-CD2 3.82Å; Y533-H619 AromaticContact CG-CG 3.92Å; E534-H619 PolarHBondContact O-NE2 2.92Å; A615-H619 PolarHBondContact O-N 3.43Å; D616-H619 PolarHBondContact O-N 3.22Å; R617-H619 VanDerWaalsContact C-N 3.28Å; R617-H619 PolarHBondContact O-N 2.96Å; H619-D621 VanDerWaalsContact C-N 3.28Å; H619-D621 PolarHBondContact O-N 3.26Å; H619-G622 WeakPolarHBondContact O-CA 3.43Å; H619-G622 PolarHBondContact O-N 3.47Å; H619-P645 HydrophobicContact CB-CB 4.33Å |
| 620 | Q | 98.5 | Very high | 97.8 | Very high | 142 Ų | 142 | 29 Ų | 29 | 66% | 0.664 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -61.1 | -36.4 | 175.6 | -73.9 | 163.7 | 26.6 | 0 | 0 | 112.6 | D616 R617 G622 | D616-Q620 WeakPolarHBondContact O-CB 3Å; D616-Q620 WeakPolarHBondContact O-CG 3.47Å; D616-Q620 PolarHBondContact O-N 3.49Å; R617-Q620 PolarHBondContact O-N 2.92Å; Q620-G622 PolarHBondContact O-N 3.16Å |
| 621 | D | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.9 | 174.4 | -70.7 | -5.6 | 0 | 0 | 0 | 111.5 | R547 F579 Y581 R617 I618 H619 I623 | R547-D621 WeakPolarHBondContact CD-O 3.46Å; R547-D621 PolarHBondContact NH1-O 2.86Å; F579-D621 HydrophobicContact CD1-CB 3.94Å; F579-D621 HydrophobicContact CE1-CB 3.73Å; F579-D621 HydrophobicContact CZ-CB 4.47Å; Y581-D621 VanDerWaalsContact OH-CB 3.29Å; Y581-D621 WeakPolarHBondContact OH-CB 3.5Å; Y581-D621 PolarHBondContact OH-OD2 2.81Å; R617-D621 IonicContact CZ-OD1 3.41Å; R617-D621 IonicContact CZ-OD2 2.7Å; R617-D621 VanDerWaalsContact NE-CG 3.29Å; R617-D621 IonicContact NE-OD1 3.04Å; R617-D621 PolarHBondContact NE-OD1 3.39Å; R617-D621 IonicContact NE-OD2 3.34Å; R617-D621 PolarHBondContact NE-OD2 3.39Å; R617-D621 IonicContact NH2-OD1 3.78Å; R617-D621 PolarHBondContact NH2-OD1 3.34Å; R617-D621 IonicContact NH2-OD2 2.82Å; R617-D621 PolarHBondContact NH2-OD2 2.9Å; R617-D621 VanDerWaalsContact NH2-OD2 3.1Å; R617-D621 PolarHBondContact O-N 2.89Å; I618-D621 PolarHBondContact O-N 3.49Å; H619-D621 VanDerWaalsContact C-N 3.28Å; H619-D621 PolarHBondContact O-N 3.26Å; D621-I623 HydrophobicContact CB-CD1 4.22Å; D621-I623 HydrophobicContact CB-CG1 4.31Å |
| 622 | G | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 12% | 0.124 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 36.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R547 I618 H619 Q620 H624 | R547-G622 WeakPolarHBondContact CD-O 3.43Å; I618-G622 PolarHBondContact O-N 3.08Å; H619-G622 WeakPolarHBondContact O-CA 3.43Å; H619-G622 PolarHBondContact O-N 3.47Å; Q620-G622 PolarHBondContact O-N 3.16Å; G622-H624 PolarHBondContact O-CE1 3.38Å; G622-H624 PolarHBondContact O-N 3.45Å |
| 623 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | trans | -63.5 | 133.3 | -178.1 | -57.5 | -53.9 | 0 | 0 | 0 | 111.1 | R547 F579 Y581 I618 D621 I625 L626 A646 P647 | R547-I623 HydrophobicContact CB-CD1 4.14Å; F579-I623 HydrophobicContact CB-CD1 3.82Å; F579-I623 HydrophobicContact CD1-CD1 4.01Å; F579-I623 HydrophobicContact CD2-CD1 3.41Å; F579-I623 VanDerWaalsContact CD2-CD1 3.41Å; F579-I623 HydrophobicContact CE1-CD1 4.47Å; F579-I623 HydrophobicContact CE2-CD1 3.92Å; F579-I623 HydrophobicContact CG-CD1 3.48Å; F579-I623 VanDerWaalsContact CG-CD1 3.48Å; F579-I623 HydrophobicContact CZ-CD1 4.44Å; Y581-I623 HydrophobicContact CE2-CD1 4.26Å; Y581-I623 HydrophobicContact CE2-CG1 4.13Å; Y581-I623 WeakPolarHBondContact OH-CD1 3.45Å; Y581-I623 VanDerWaalsContact OH-CG1 3.22Å; Y581-I623 WeakPolarHBondContact OH-CG1 3.46Å; I618-I623 HydrophobicContact CG2-CB 4.2Å; I618-I623 HydrophobicContact CG2-CG1 3.91Å; D621-I623 HydrophobicContact CB-CD1 4.22Å; D621-I623 HydrophobicContact CB-CG1 4.31Å; I623-I625 VanDerWaalsContact CG2-O 3.22Å; I623-I625 WeakPolarHBondContact CG2-O 3.42Å; I623-L626 HydrophobicContact CG2-CB 4.12Å; I623-L626 HydrophobicContact CG2-CD1 3.98Å; I623-A646 HydrophobicContact CB-CB 4.26Å; I623-A646 HydrophobicContact CG2-CB 4.05Å; I623-A646 WeakPolarHBondContact O-CB 3.44Å; I623-P647 VanDerWaalsContact O-CD 3.31Å; I623-P647 WeakPolarHBondContact O-CD 3.25Å | ||
| 624 | H | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -93.1 | -47.1 | 176.3 | -54.7 | 91.9 | 0 | 0 | 0 | 111.2 | S542 L546 R547 G622 P647 I648 W1014 | S542-H624 PolarHBondContact OG-CE1 3.48Å; S542-H624 VanDerWaalsContact OG-CE1 3.29Å; L546-H624 HydrophobicContact CD1-CB 3.58Å; L546-H624 HydrophobicContact CG-CB 4.37Å; R547-H624 WeakPolarHBondContact CB-ND1 3.35Å; R547-H624 PolarHBondContact N-ND1 2.98Å; R547-H624 PolarHBondContact O-N 3.37Å; G622-H624 PolarHBondContact O-CE1 3.38Å; G622-H624 PolarHBondContact O-N 3.45Å; H624-P647 WeakPolarHBondContact O-CD 3.35Å; H624-P647 WeakPolarHBondContact O-CG 3.27Å; H624-I648 WeakPolarHBondContact O-CB 3.33Å; H624-I648 PolarHBondContact O-N 3.2Å; H624-I648 VanDerWaalsContact O-N 3.14Å; H624-W1014 HydrophobicContact CB-CE3 3.96Å; H624-W1014 HydrophobicContact CB-CZ3 3.82Å; H624-W1014 AromaticContact CD2-CH2 3.37Å; H624-W1014 WeakPolarHBondContact CD2-CH2 3.24Å; H624-W1014 AromaticContact CD2-CZ3 3.51Å; H624-W1014 AromaticContact CG-CZ3 3.97Å |
| 625 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 115.1 | 177 | -56.8 | -174.2 | 0 | 0 | 0 | 108.7 | L546 R547 V548 G549 I623 V627 I648 Y1010 M1013 | L546-I625 HydrophobicContact CD2-CD1 3.78Å; L546-I625 HydrophobicContact CD2-CG1 4.33Å; R547-I625 PolarHBondContact O-N 3.17Å; V548-I625 CarbonylContact C-O 3.48Å; V548-I625 WeakPolarHBondContact CA-O 3.25Å; V548-I625 HydrophobicContact CG2-CB 4.47Å; G549-I625 PolarHBondContact N-O 3.29Å; I623-I625 VanDerWaalsContact CG2-O 3.22Å; I623-I625 WeakPolarHBondContact CG2-O 3.42Å; I625-V627 HydrophobicContact CG2-CG2 4.12Å; I625-I648 WeakPolarHBondContact CA-O 3.32Å; I625-I648 HydrophobicContact CD1-CD1 4.4Å; I625-I648 HydrophobicContact CG1-CB 4.06Å; I625-I648 HydrophobicContact CG1-CD1 4.04Å; I625-I648 HydrophobicContact CG1-CG2 4.18Å; I625-I648 HydrophobicContact CG2-CG2 4.32Å; I625-Y1010 HydrophobicContact CD1-CD1 3.72Å; I625-Y1010 HydrophobicContact CD1-CG 3.85Å; I625-Y1010 HydrophobicContact CG2-CD1 4.19Å; I625-Y1010 HydrophobicContact CG2-CE1 4.11Å; I625-M1013 HydrophobicContact CD1-CB 4.17Å; I625-M1013 HydrophobicContact CD1-SD 4.32Å |
| 626 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.7 | 175 | -165.1 | 73.2 | 0 | 0 | 0 | 110 | G549 V551 Y581 I618 I623 F641 P645 A646 I648 Q649 A650 | G549-L626 CarbonylContact O-C 3.56Å; G549-L626 WeakPolarHBondContact O-CA 3.27Å; V551-L626 HydrophobicContact CG2-CD1 3.51Å; V551-L626 HydrophobicContact CG2-CD2 4.26Å; V551-L626 HydrophobicContact CG2-CG 3.83Å; Y581-L626 HydrophobicContact CD2-CD1 4.38Å; Y581-L626 HydrophobicContact CE2-CD1 4.18Å; I618-L626 HydrophobicContact CD1-CD2 4.36Å; I618-L626 HydrophobicContact CG2-CD1 3.8Å; I618-L626 HydrophobicContact CG2-CD2 4.14Å; I623-L626 HydrophobicContact CG2-CB 4.12Å; I623-L626 HydrophobicContact CG2-CD1 3.98Å; L626-F641 HydrophobicContact CB-CE1 4.16Å; L626-F641 HydrophobicContact CD2-CD1 3.86Å; L626-F641 HydrophobicContact CD2-CE1 3.57Å; L626-F641 HydrophobicContact CD2-CZ 4.08Å; L626-F641 HydrophobicContact CG-CD1 4.31Å; L626-F641 HydrophobicContact CG-CE1 3.59Å; L626-F641 HydrophobicContact CG-CZ 4.07Å; L626-P645 HydrophobicContact CD2-CG 3.98Å; L626-A646 HydrophobicContact CB-CB 3.66Å; L626-I648 PolarHBondContact N-O 3.35Å; L626-Q649 HydrophobicContact CB-CG 4.46Å; L626-Q649 CarbonylContact O-C 3.51Å; L626-Q649 VanDerWaalsContact O-CA 3.3Å; L626-Q649 WeakPolarHBondContact O-CA 3.44Å; L626-A650 PolarHBondContact O-N 3.36Å |
| 627 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118 | -172.2 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | V548 G549 Y550 V551 I625 M629 A650 W652 Y1010 | V548-V627 HydrophobicContact CG1-CG2 4.12Å; G549-V627 PolarHBondContact O-N 3.06Å; Y550-V627 HydrophobicContact CD1-CB 3.69Å; Y550-V627 HydrophobicContact CD1-CG1 3.93Å; Y550-V627 HydrophobicContact CD1-CG2 4.01Å; Y550-V627 HydrophobicContact CE1-CB 3.94Å; Y550-V627 HydrophobicContact CE1-CG1 4Å; Y550-V627 HydrophobicContact CE1-CG2 3.82Å; V551-V627 PolarHBondContact N-O 3.36Å; I625-V627 HydrophobicContact CG2-CG2 4.12Å; V627-M629 HydrophobicContact CG1-CG 4.07Å; V627-A650 CarbonylContact C-O 3.52Å; V627-A650 WeakPolarHBondContact CA-O 3.37Å; V627-W652 HydrophobicContact CG1-CB 3.63Å; V627-W652 HydrophobicContact CG1-CD2 4.47Å; V627-W652 HydrophobicContact CG1-CE3 3.94Å; V627-W652 HydrophobicContact CG1-CG 4.42Å; V627-Y1010 HydrophobicContact CG2-CE1 4.49Å; V627-Y1010 WeakPolarHBondContact CG2-OH 3.45Å |
| 628 | N | 98.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 110.8 | 173.1 | -170.4 | -25.1 | 0 | 0 | 0 | 109.8 | N630 G631 N638 F641 A650 M651 W652 M664 | N628-N630 PolarHBondContact OD1-N 3.09Å; N628-G631 PolarHBondContact OD1-N 3.03Å; N628-N638 PolarHBondContact ND2-OD1 3.14Å; N628-F641 HydrophobicContact CB-CD1 4.09Å; N628-F641 HydrophobicContact CB-CD2 4.23Å; N628-F641 HydrophobicContact CB-CE1 3.58Å; N628-F641 HydrophobicContact CB-CE2 3.74Å; N628-F641 HydrophobicContact CB-CG 4.39Å; N628-F641 HydrophobicContact CB-CZ 3.39Å; N628-A650 PolarHBondContact N-O 3.29Å; N628-M651 HydrophobicContact CB-SD 3.69Å; N628-W652 PolarHBondContact O-N 3.24Å; N628-M664 HydrophobicContact CB-CE 3.62Å; N628-M664 HydrophobicContact CB-SD 4.41Å |
| 629 | M | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -106.2 | 15.1 | 179.6 | -59.1 | 174.1 | 58 | 0 | 0 | 113.2 | Y550 V551 F555 T560 M564 V627 W652 G654 | Y550-M629 HydrophobicContact CD1-CG 4.37Å; Y550-M629 HydrophobicContact CD1-SD 3.57Å; Y550-M629 VanDerWaalsContact CD1-SD 3.57Å; Y550-M629 HydrophobicContact CG-SD 4.02Å; V551-M629 PolarHBondContact O-N 3.49Å; F555-M629 HydrophobicContact CE1-CE 4.46Å; F555-M629 HydrophobicContact CZ-SD 4.34Å; T560-M629 HydrophobicContact CG2-CE 3.66Å; M564-M629 HydrophobicContact CE-CE 3.61Å; M564-M629 HydrophobicContact CE-SD 4.26Å; M564-M629 HydrophobicContact CG-CE 3.66Å; M564-M629 HydrophobicContact SD-CE 3.52Å; M564-M629 VanDerWaalsContact SD-CE 3.52Å; V627-M629 HydrophobicContact CG1-CG 4.07Å; M629-W652 HydrophobicContact CE-CZ3 4.17Å; M629-W652 HydrophobicContact CG-CE3 4.15Å; M629-W652 HydrophobicContact SD-CE3 4.36Å; M629-W652 HydrophobicContact SD-CZ3 4.27Å; M629-G654 WeakPolarHBondContact O-CA 3.4Å |
| 630 | N | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.011 | 14% | 0.142 | C | C | . | . | trans | -117.4 | -43.7 | 177.6 | -83.1 | 114.2 | 0 | 0 | 0 | 112.5 | S552 S553 D554 N628 Y632 T633 A636 Y655 | S552-N630 VanDerWaalsContact CA-OD1 3.23Å; S552-N630 WeakPolarHBondContact CA-OD1 3.35Å; S553-N630 PolarHBondContact N-OD1 3.34Å; S553-N630 PolarHBondContact OG-ND2 3.5Å; D554-N630 PolarHBondContact OD1-ND2 2.91Å; N628-N630 PolarHBondContact OD1-N 3.09Å; N630-Y632 PolarHBondContact O-N 3.08Å; N630-T633 VanDerWaalsContact C-OG1 3.32Å; N630-T633 WeakPolarHBondContact CA-OG1 3.36Å; N630-T633 WeakPolarHBondContact CB-OG1 3.31Å; N630-T633 PolarHBondContact ND2-OG1 3.45Å; N630-T633 WeakPolarHBondContact O-CB 3.43Å; N630-T633 WeakPolarHBondContact O-CG2 3.4Å; N630-T633 PolarHBondContact O-N 3.06Å; N630-T633 PolarHBondContact O-OG1 3.29Å; N630-A636 HydrophobicContact CB-CB 3.73Å; N630-Y655 WeakPolarHBondContact O-CB 3.31Å | ||
| 631 | G | 97.2 | Very high | 97 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 50.3 | -131.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N628 T633 A636 N638 | N628-G631 PolarHBondContact OD1-N 3.03Å; G631-T633 VanDerWaalsContact C-N 3.33Å; G631-T633 PolarHBondContact O-N 3.22Å; G631-A636 WeakPolarHBondContact O-CB 3.36Å; G631-N638 PolarHBondContact O-ND2 3.39Å; G631-N638 PolarHBondContact O-OD1 2.83Å |
| 632 | Y | 97.3 | Very high | 97 | Very high | 16 Ų | 16 | 18.8 Ų | 18.8 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -90.4 | 66.1 | 177.1 | -60.3 | -63.8 | 0 | 0 | 0 | 111.7 | H496 P497 A514 H517 G518 N630 Y655 S659 | H496-Y632 PolarHBondContact CE1-O 3.07Å; H496-Y632 VanDerWaalsContact CE1-O 3.3Å; P497-Y632 HydrophobicContact CB-CD2 3.35Å; P497-Y632 HydrophobicContact CB-CE2 3.94Å; P497-Y632 HydrophobicContact CB-CG 3.72Å; P497-Y632 HydrophobicContact CG-CD1 4.11Å; P497-Y632 HydrophobicContact CG-CD2 3.63Å; P497-Y632 HydrophobicContact CG-CE1 4.43Å; P497-Y632 HydrophobicContact CG-CE2 3.94Å; P497-Y632 HydrophobicContact CG-CG 3.72Å; A514-Y632 HydrophobicContact CB-CE2 4.05Å; A514-Y632 PolarHBondContact O-OH 3.08Å; H517-Y632 HydrophobicContact CB-CD1 4.3Å; H517-Y632 HydrophobicContact CB-CE1 3.65Å; G518-Y632 WeakPolarHBondContact CA-OH 3.32Å; G518-Y632 PolarHBondContact N-OH 3.47Å; G518-Y632 VanDerWaalsContact N-OH 3.1Å; N630-Y632 PolarHBondContact O-N 3.08Å; Y632-Y655 HydrophobicContact CD2-CD1 4.44Å; Y632-Y655 AromaticContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE2 4.31Å; Y632-Y655 AromaticContact CD2-CZ 3.73Å; Y632-S659 WeakPolarHBondContact CE2-O 3.34Å; Y632-S659 VanDerWaalsContact CZ-O 3.27Å; Y632-S659 PolarHBondContact OH-O 3.2Å |
| 633 | T | 92.4 | Very high | 97 | Very high | 40 Ų | 40 | 19.1 Ų | 19.1 | 25% | 0.245 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -123.2 | 166.2 | 174.4 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | N630 G631 G635 A636 Y655 | N630-T633 VanDerWaalsContact C-OG1 3.32Å; N630-T633 WeakPolarHBondContact CA-OG1 3.36Å; N630-T633 WeakPolarHBondContact CB-OG1 3.31Å; N630-T633 PolarHBondContact ND2-OG1 3.45Å; N630-T633 WeakPolarHBondContact O-CB 3.43Å; N630-T633 WeakPolarHBondContact O-CG2 3.4Å; N630-T633 PolarHBondContact O-N 3.06Å; N630-T633 PolarHBondContact O-OG1 3.29Å; G631-T633 VanDerWaalsContact C-N 3.33Å; G631-T633 PolarHBondContact O-N 3.22Å; T633-G635 PolarHBondContact O-N 3.21Å; T633-A636 VanDerWaalsContact O-CB 3.29Å; T633-A636 WeakPolarHBondContact O-CB 3.44Å; T633-A636 PolarHBondContact O-N 3.39Å; T633-Y655 HydrophobicContact CG2-CD2 4.49Å |
| 634 | K | 88 | Confident | 97 | Very high | 168 Ų | 168 | 23.2 Ų | 23.2 | 73% | 0.73 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 133.7 | 178.1 | -172.1 | 175 | -178 | 177.9 | 0 | 109.6 | S553 | S553-K634 PolarHBondContact OG-O 3.02Š|
| 635 | G | 90.6 | Very high | 97 | Very high | 44 Ų | 44 | 23.2 Ų | 23.2 | 45% | 0.454 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -7.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T633 | T633-G635 PolarHBondContact O-N 3.21Š|
| 636 | A | 95.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 23% | 0.231 | 12% | 0.123 | C | C | . | . | trans | -62.5 | 140.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N630 G631 T633 | N630-A636 HydrophobicContact CB-CB 3.73Å; G631-A636 WeakPolarHBondContact O-CB 3.36Å; T633-A636 VanDerWaalsContact O-CB 3.29Å; T633-A636 WeakPolarHBondContact O-CB 3.44Å; T633-A636 PolarHBondContact O-N 3.39Å | ||
| 637 | R | 96.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 23.5 Ų | 23.5 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | trans | -122.5 | 64.9 | 169.4 | -71.1 | 173.5 | 59.3 | -176 | 6 | 109.6 | L583 L605 I608 P609 N611 E639 L640 | L583-R637 HydrophobicContact CD1-CB 4.05Å; L583-R637 HydrophobicContact CD1-CG 4.44Å; L605-R637 PolarHBondContact O-NH1 3.08Å; I608-R637 VanDerWaalsContact O-CZ 3.3Å; I608-R637 PolarHBondContact O-NH1 3.17Å; I608-R637 PolarHBondContact O-NH2 3.24Å; P609-R637 PolarHBondContact O-NH2 3.43Å; N611-R637 VanDerWaalsContact OD1-CZ 3.26Å; N611-R637 PolarHBondContact OD1-NE 3.02Å; N611-R637 PolarHBondContact OD1-NH2 3.49Å; R637-E639 VanDerWaalsContact C-OE2 3.29Å; R637-E639 WeakPolarHBondContact CA-OE2 3.44Å; R637-E639 PolarHBondContact O-N 3.27Å; R637-E639 VanDerWaalsContact O-N 3.13Å; R637-L640 HydrophobicContact CB-CD1 4.01Å; R637-L640 HydrophobicContact CB-CG 4.03Å; R637-L640 WeakPolarHBondContact O-CB 3.43Å; R637-L640 WeakPolarHBondContact O-CG 3.41Å; R637-L640 PolarHBondContact O-N 3.31Å | ||
| 638 | N | 98 | Very high | 96.9 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.6 | -177.5 | -66.7 | -36.3 | 0 | 0 | 0 | 112.7 | N628 G631 L640 F641 A642 | N628-N638 PolarHBondContact ND2-OD1 3.14Å; G631-N638 PolarHBondContact O-ND2 3.39Å; G631-N638 PolarHBondContact O-OD1 2.83Å; N638-L640 PolarHBondContact O-N 2.91Å; N638-F641 WeakPolarHBondContact O-CB 3.48Å; N638-F641 PolarHBondContact O-N 3.45Å; N638-A642 PolarHBondContact O-N 3.11Å |
| 639 | E | 96.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.3 | -30.3 | 168.9 | -62.3 | 85.6 | 171 | 0 | 0 | 112.6 | C521 K524 I525 N611 R637 F641 A642 L643 | C521-E639 HydrophobicContact CB-CG 4.08Å; K524-E639 HydrophobicContact CB-CG 4.07Å; K524-E639 HydrophobicContact CD-CG 3.98Å; K524-E639 WeakPolarHBondContact CD-OE1 3.32Å; K524-E639 IonicContact NZ-OE1 2.77Å; K524-E639 PolarHBondContact NZ-OE1 2.95Å; I525-E639 HydrophobicContact CG2-CB 3.7Å; I525-E639 HydrophobicContact CG2-CG 4.26Å; I525-E639 WeakPolarHBondContact CG2-O 3.46Å; N611-E639 HydrophobicContact CB-CB 4.42Å; N611-E639 WeakPolarHBondContact ND2-CB 3.45Å; R637-E639 VanDerWaalsContact C-OE2 3.29Å; R637-E639 WeakPolarHBondContact CA-OE2 3.44Å; R637-E639 PolarHBondContact O-N 3.27Å; R637-E639 VanDerWaalsContact O-N 3.13Å; E639-F641 VanDerWaalsContact C-N 3.34Å; E639-A642 PolarHBondContact O-N 3.04Å; E639-L643 PolarHBondContact O-N 3.14Å |
| 640 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 174.5 | -59.4 | -179.9 | 0 | 0 | 0 | 111.6 | L583 L605 N611 A614 R637 N638 L643 P645 | L583-L640 HydrophobicContact CD2-CD1 3.82Å; L605-L640 HydrophobicContact CD1-CD1 4.09Å; N611-L640 HydrophobicContact CB-CD2 3.97Å; N611-L640 WeakPolarHBondContact O-CD2 3.42Å; A614-L640 HydrophobicContact CB-CD1 4.5Å; A614-L640 HydrophobicContact CB-CD2 3.59Å; R637-L640 HydrophobicContact CB-CD1 4.01Å; R637-L640 HydrophobicContact CB-CG 4.03Å; R637-L640 WeakPolarHBondContact O-CB 3.43Å; R637-L640 WeakPolarHBondContact O-CG 3.41Å; R637-L640 PolarHBondContact O-N 3.31Å; N638-L640 PolarHBondContact O-N 2.91Å; L640-L643 PolarHBondContact O-N 2.78Å; L640-P645 WeakPolarHBondContact O-CD 3.25Å |
| 641 | F | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.6 | -35 | 176.3 | -67.3 | -89.9 | 0 | 0 | 0 | 111.3 | V551 L626 N628 N638 E639 L643 R644 Q649 F663 M664 | V551-F641 HydrophobicContact CB-CE2 4.05Å; V551-F641 HydrophobicContact CB-CZ 3.76Å; V551-F641 HydrophobicContact CG1-CE2 4.24Å; V551-F641 HydrophobicContact CG1-CZ 4.43Å; V551-F641 HydrophobicContact CG2-CE2 4.32Å; V551-F641 HydrophobicContact CG2-CZ 3.76Å; L626-F641 HydrophobicContact CB-CE1 4.16Å; L626-F641 HydrophobicContact CD2-CD1 3.86Å; L626-F641 HydrophobicContact CD2-CE1 3.57Å; L626-F641 HydrophobicContact CD2-CZ 4.08Å; L626-F641 HydrophobicContact CG-CD1 4.31Å; L626-F641 HydrophobicContact CG-CE1 3.59Å; L626-F641 HydrophobicContact CG-CZ 4.07Å; N628-F641 HydrophobicContact CB-CD1 4.09Å; N628-F641 HydrophobicContact CB-CD2 4.23Å; N628-F641 HydrophobicContact CB-CE1 3.58Å; N628-F641 HydrophobicContact CB-CE2 3.74Å; N628-F641 HydrophobicContact CB-CG 4.39Å; N628-F641 HydrophobicContact CB-CZ 3.39Å; N638-F641 WeakPolarHBondContact O-CB 3.48Å; N638-F641 PolarHBondContact O-N 3.45Å; E639-F641 VanDerWaalsContact C-N 3.34Å; F641-L643 PolarHBondContact O-N 3.19Å; F641-R644 PolarHBondContact O-N 3.34Å; F641-Q649 HydrophobicContact CD1-CB 4.24Å; F641-Q649 HydrophobicContact CD1-CG 4.44Å; F641-Q649 PolarHBondContact O-NE2 3.18Å; F641-Q649 PolarHBondContact O-OE1 2.74Å; F641-F663 HydrophobicContact CB-CD2 3.75Å; F641-F663 HydrophobicContact CB-CE2 3.81Å; F641-M664 HydrophobicContact CB-SD 3.82Å; F641-M664 HydrophobicContact CD1-CE 4.06Å; F641-M664 HydrophobicContact CD1-SD 3.82Å; F641-M664 HydrophobicContact CE1-CE 4.42Å; F641-M664 HydrophobicContact CG-SD 3.98Å |
| 642 | A | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 8% | 0.083 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -33.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C521 L522 I525 N638 E639 R644 F663 | C521-A642 HydrophobicContact CB-CB 4.16Å; L522-A642 HydrophobicContact CD2-CB 4.13Å; I525-A642 VanDerWaalsContact CD1-C 3.46Å; I525-A642 HydrophobicContact CD1-CB 3.6Å; I525-A642 WeakPolarHBondContact CD1-O 3.05Å; I525-A642 HydrophobicContact CG1-CB 4.27Å; I525-A642 HydrophobicContact CG2-CB 4.42Å; N638-A642 PolarHBondContact O-N 3.11Å; E639-A642 PolarHBondContact O-N 3.04Å; A642-R644 PolarHBondContact O-N 2.95Å; A642-F663 HydrophobicContact CB-CD1 3.71Å; A642-F663 HydrophobicContact CB-CE1 3.67Å; A642-F663 HydrophobicContact CB-CG 4.22Å; A642-F663 HydrophobicContact CB-CZ 4.17Å |
| 643 | L | 98.4 | Very high | 97 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -8.5 | 175.2 | -76.1 | 165.6 | 0 | 0 | 0 | 114.1 | I525 L528 K530 Y533 N611 A615 E639 L640 F641 | I525-L643 HydrophobicContact CB-CD2 4.01Å; I525-L643 HydrophobicContact CB-CG 4.11Å; I525-L643 HydrophobicContact CD1-CD2 4.03Å; I525-L643 HydrophobicContact CD1-CG 4.09Å; I525-L643 HydrophobicContact CG2-CD1 4.22Å; I525-L643 HydrophobicContact CG2-CD2 4.34Å; I525-L643 HydrophobicContact CG2-CG 3.89Å; L528-L643 HydrophobicContact CD1-CD1 4.32Å; K530-L643 HydrophobicContact CB-CD2 4.22Å; K530-L643 HydrophobicContact CD-CD2 4.17Å; Y533-L643 WeakPolarHBondContact CD2-O 3.28Å; Y533-L643 HydrophobicContact CE2-CB 4.34Å; Y533-L643 WeakPolarHBondContact CE2-O 3.48Å; N611-L643 HydrophobicContact CB-CD1 4.42Å; A615-L643 HydrophobicContact CB-CB 3.97Å; A615-L643 HydrophobicContact CB-CD1 3.56Å; A615-L643 HydrophobicContact CB-CG 4.38Å; E639-L643 PolarHBondContact O-N 3.14Å; L640-L643 PolarHBondContact O-N 2.78Å; F641-L643 PolarHBondContact O-N 3.19Å |
| 644 | R | 98.6 | Very high | 96.9 | Very high | 87 Ų | 87 | 22.6 Ų | 22.6 | 33% | 0.328 | 12% | 0.122 | S | C | . | . | trans | 46.7 | 54.6 | 178.8 | -68.8 | 177.7 | 159.4 | -106.3 | -5.2 | 114.3 | H535 F641 A642 A646 L662 F663 D665 | H535-R644 PolarHBondContact NE2-O 3.35Å; F641-R644 PolarHBondContact O-N 3.34Å; A642-R644 PolarHBondContact O-N 2.95Å; R644-A646 PolarHBondContact O-N 3.19Å; R644-L662 PolarHBondContact NH2-O 3.3Å; R644-F663 HydrophobicContact CG-CB 4.09Å; R644-D665 IonicContact CZ-OD1 2.81Å; R644-D665 IonicContact NH1-OD1 3.92Å; R644-D665 IonicContact NH2-OD1 3.82Å; R644-D665 PolarHBondContact NH2-OD1 3.13Å; R644-D665 VanDerWaalsContact NH2-OD1 3.14Å | ||
| 645 | P | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | trans | -69.7 | -14.7 | 178 | 30.9 | -37.3 | 0 | 0 | 0 | 113.8 | Y533 A615 I618 H619 L626 L640 | Y533-P645 HydrophobicContact CD2-CB 4.21Å; Y533-P645 HydrophobicContact CE2-CB 4.06Å; A615-P645 HydrophobicContact CB-CB 4.37Å; A615-P645 HydrophobicContact CB-CG 4.45Å; A615-P645 WeakPolarHBondContact O-CB 3.39Å; I618-P645 HydrophobicContact CB-CB 3.97Å; I618-P645 HydrophobicContact CB-CG 4.02Å; I618-P645 HydrophobicContact CD1-CG 4.27Å; I618-P645 HydrophobicContact CG2-CB 3.82Å; I618-P645 HydrophobicContact CG2-CG 3.7Å; H619-P645 HydrophobicContact CB-CB 4.33Å; L626-P645 HydrophobicContact CD2-CG 3.98Å; L640-P645 WeakPolarHBondContact O-CD 3.25Å | ||
| 646 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -118.9 | 151.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | H535 I623 L626 R644 | H535-A646 PolarHBondContact NE2-O 2.97Å; I623-A646 HydrophobicContact CB-CB 4.26Å; I623-A646 HydrophobicContact CG2-CB 4.05Å; I623-A646 WeakPolarHBondContact O-CB 3.44Å; L626-A646 HydrophobicContact CB-CB 3.66Å; R644-A646 PolarHBondContact O-N 3.19Å |
| 647 | P | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 13.6 Ų | 13.6 | 5% | 0.045 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -67.9 | -31.6 | 179 | 18 | -24.6 | 0 | 0 | 0 | 115 | H535 I623 H624 W1014 Y1017 | H535-P647 HydrophobicContact CB-CB 3.75Å; H535-P647 HydrophobicContact CB-CG 4.1Å; I623-P647 VanDerWaalsContact O-CD 3.31Å; I623-P647 WeakPolarHBondContact O-CD 3.25Å; H624-P647 WeakPolarHBondContact O-CD 3.35Å; H624-P647 WeakPolarHBondContact O-CG 3.27Å; P647-W1014 HydrophobicContact CG-CZ3 4.3Å; P647-Y1017 HydrophobicContact CB-CD1 4.35Å; P647-Y1017 HydrophobicContact CB-CD2 4.24Å; P647-Y1017 HydrophobicContact CB-CE1 3.7Å; P647-Y1017 HydrophobicContact CB-CE2 3.54Å; P647-Y1017 VanDerWaalsContact CB-OH 3.32Å; P647-Y1017 WeakPolarHBondContact CB-OH 3.46Å; P647-Y1017 HydrophobicContact CG-CE1 4.15Å |
| 648 | I | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 12.5 Ų | 12.5 | 2% | 0.015 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125 | -179.3 | -57.3 | 170.1 | 0 | 0 | 0 | 107.6 | H624 I625 L626 Y666 M1013 W1014 Y1017 | H624-I648 WeakPolarHBondContact O-CB 3.33Å; H624-I648 PolarHBondContact O-N 3.2Å; H624-I648 VanDerWaalsContact O-N 3.14Å; I625-I648 WeakPolarHBondContact CA-O 3.32Å; I625-I648 HydrophobicContact CD1-CD1 4.4Å; I625-I648 HydrophobicContact CG1-CB 4.06Å; I625-I648 HydrophobicContact CG1-CD1 4.04Å; I625-I648 HydrophobicContact CG1-CG2 4.18Å; I625-I648 HydrophobicContact CG2-CG2 4.32Å; L626-I648 PolarHBondContact N-O 3.35Å; I648-Y666 HydrophobicContact CG2-CD2 3.83Å; I648-Y666 HydrophobicContact CG2-CE2 4.1Å; I648-M1013 HydrophobicContact CD1-CB 4.27Å; I648-M1013 HydrophobicContact CG2-SD 4.44Å; I648-W1014 HydrophobicContact CD1-CE3 4.08Å; I648-Y1017 HydrophobicContact CD1-CG 4.08Å; I648-Y1017 HydrophobicContact CG1-CD2 4.19Å; I648-Y1017 HydrophobicContact CG1-CG 4.09Å |
| 649 | Q | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.1 | 176.8 | -54.7 | -166.7 | 139.9 | 0 | 0 | 111.1 | L626 F641 F663 M664 D665 Y666 | L626-Q649 HydrophobicContact CB-CG 4.46Å; L626-Q649 CarbonylContact O-C 3.51Å; L626-Q649 VanDerWaalsContact O-CA 3.3Å; L626-Q649 WeakPolarHBondContact O-CA 3.44Å; F641-Q649 HydrophobicContact CD1-CB 4.24Å; F641-Q649 HydrophobicContact CD1-CG 4.44Å; F641-Q649 PolarHBondContact O-NE2 3.18Å; F641-Q649 PolarHBondContact O-OE1 2.74Å; Q649-F663 PolarHBondContact NE2-O 2.96Å; Q649-M664 HydrophobicContact CB-CE 4.09Å; Q649-M664 HydrophobicContact CB-SD 4.27Å; Q649-D665 PolarHBondContact N-OD2 2.87Å; Q649-D665 WeakPolarHBondContact O-CB 3.48Å; Q649-D665 PolarHBondContact O-N 2.91Å; Q649-Y666 PolarHBondContact O-N 3.3Å; Q649-Y666 VanDerWaalsContact O-N 3.11Å |
| 650 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L626 V627 N628 M664 Y666 I668 | L626-A650 PolarHBondContact O-N 3.36Å; V627-A650 CarbonylContact C-O 3.52Å; V627-A650 WeakPolarHBondContact CA-O 3.37Å; N628-A650 PolarHBondContact N-O 3.29Å; A650-M664 WeakPolarHBondContact O-CE 3.05Å; A650-Y666 CarbonylContact C-O 3.4Å; A650-Y666 VanDerWaalsContact CA-O 3.28Å; A650-Y666 WeakPolarHBondContact CA-O 3.36Å; A650-I668 HydrophobicContact CB-CD1 4.45Å; A650-I668 HydrophobicContact CB-CG1 4.41Å |
| 651 | M | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.02 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 133.4 | 166.8 | -70 | -69.8 | -65.4 | 0 | 0 | 109.3 | N628 Y655 M664 Y666 I667 I668 | N628-M651 HydrophobicContact CB-SD 3.69Å; M651-Y655 HydrophobicContact CE-CD1 3.9Å; M651-Y655 HydrophobicContact CE-CG 4.4Å; M651-M664 HydrophobicContact CB-CE 4.45Å; M651-M664 HydrophobicContact CG-CB 4.16Å; M651-M664 HydrophobicContact CG-CE 3.65Å; M651-M664 HydrophobicContact CG-CG 3.97Å; M651-M664 HydrophobicContact SD-CE 3.79Å; M651-M664 HydrophobicContact SD-CG 4.09Å; M651-M664 HydrophobicContact SD-SD 4.33Å; M651-Y666 PolarHBondContact N-O 3.3Å; M651-I667 HydrophobicContact CB-CB 4.23Å; M651-I667 HydrophobicContact CB-CG1 4Å; M651-I668 PolarHBondContact O-N 3.02Å |
| 652 | W | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.015 | 10% | 0.101 | C | C | . | . | trans | -152.2 | 135.2 | 177 | 177.9 | 56.5 | 0 | 0 | 0 | 113 | Y550 M564 I567 V627 N628 M629 G654 I668 I695 Y1002 L1006 | Y550-W652 HydrophobicContact CD1-CE3 4.25Å; Y550-W652 HydrophobicContact CD1-CZ3 4.06Å; Y550-W652 AromaticContact CE1-CE3 3.85Å; Y550-W652 HydrophobicContact CE1-CE3 3.85Å; Y550-W652 AromaticContact CE1-CZ3 3.62Å; Y550-W652 HydrophobicContact CE1-CZ3 3.62Å; M564-W652 HydrophobicContact CB-CH2 3.91Å; M564-W652 HydrophobicContact CE-CH2 4.43Å; M564-W652 HydrophobicContact CE-CZ3 4.16Å; M564-W652 HydrophobicContact CG-CH2 4.22Å; M564-W652 HydrophobicContact CG-CZ3 4.38Å; I567-W652 HydrophobicContact CD1-CH2 3.81Å; I567-W652 HydrophobicContact CD1-CZ2 4.09Å; V627-W652 HydrophobicContact CG1-CB 3.63Å; V627-W652 HydrophobicContact CG1-CD2 4.47Å; V627-W652 HydrophobicContact CG1-CE3 3.94Å; V627-W652 HydrophobicContact CG1-CG 4.42Å; N628-W652 PolarHBondContact O-N 3.24Å; M629-W652 HydrophobicContact CE-CZ3 4.17Å; M629-W652 HydrophobicContact CG-CE3 4.15Å; M629-W652 HydrophobicContact SD-CE3 4.36Å; M629-W652 HydrophobicContact SD-CZ3 4.27Å; W652-G654 PolarHBondContact O-N 2.74Å; W652-I668 HydrophobicContact CB-CB 4.17Å; W652-I668 HydrophobicContact CB-CD1 4Å; W652-I668 HydrophobicContact CB-CG1 4.34Å; W652-I668 HydrophobicContact CG-CB 4.17Å; W652-I668 HydrophobicContact CG-CD1 4.06Å; W652-I668 HydrophobicContact CG-CG2 4.45Å; W652-I695 HydrophobicContact CZ2-CG2 4.49Å; W652-Y1002 AromaticContact CZ2-CE1 3.67Å; W652-Y1002 HydrophobicContact CZ2-CE1 3.67Å; W652-Y1002 AromaticContact CZ2-CZ 3.94Å; W652-Y1002 WeakPolarHBondContact CZ2-OH 3.48Å; W652-Y1002 PolarHBondContact NE1-OH 3.09Å; W652-L1006 HydrophobicContact CH2-CD2 4.47Å; W652-L1006 HydrophobicContact CZ2-CD2 4.4Å | ||
| 653 | L | 95.4 | Very high | 97.7 | Very high | 17 Ų | 17 | 18.5 Ų | 18.5 | 9% | 0.089 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 63.9 | -56.9 | 167.8 | -169 | 65.6 | 0 | 0 | 0 | 116.9 | L563 M564 Y655 F693 F694 | L563-L653 HydrophobicContact CB-CD2 4.3Å; L563-L653 HydrophobicContact CD1-CD1 4.35Å; M564-L653 HydrophobicContact CB-CD2 4.02Å; M564-L653 HydrophobicContact CG-CD2 3.85Å; L653-Y655 VanDerWaalsContact C-N 3.34Å; L653-Y655 PolarHBondContact O-N 3.47Å; L653-F693 HydrophobicContact CD1-CE2 4.49Å; L653-F694 HydrophobicContact CD1-CD2 3.99Å; L653-F694 HydrophobicContact CD1-CE2 3.83Å; L653-F694 HydrophobicContact CD1-CG 4.49Å; L653-F694 HydrophobicContact CD1-CZ 4.21Å |
| 654 | G | 91.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 17.8 Ų | 17.8 | 17% | 0.165 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -73.2 | -18.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | M629 W652 | M629-G654 WeakPolarHBondContact O-CA 3.4Å; W652-G654 PolarHBondContact O-N 2.74Å |
| 655 | Y | 97.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 14.3 Ų | 14.3 | 8% | 0.078 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -129.3 | 122.9 | 175.5 | 179.8 | -108.4 | 0 | 0 | 0 | 111.2 | P497 H498 N630 Y632 T633 M651 L653 G657 T658 | P497-Y655 VanDerWaalsContact CB-OH 3.23Å; P497-Y655 WeakPolarHBondContact CB-OH 3.32Å; P497-Y655 PolarHBondContact O-OH 2.99Å; H498-Y655 HydrophobicContact CB-CE2 4.02Å; H498-Y655 PolarHBondContact N-OH 3.26Å; H498-Y655 AromaticContact ND1-CD2 3.97Å; H498-Y655 AromaticContact ND1-CE2 3.75Å; N630-Y655 WeakPolarHBondContact O-CB 3.31Å; Y632-Y655 HydrophobicContact CD2-CD1 4.44Å; Y632-Y655 AromaticContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE2 4.31Å; Y632-Y655 AromaticContact CD2-CZ 3.73Å; T633-Y655 HydrophobicContact CG2-CD2 4.49Å; M651-Y655 HydrophobicContact CE-CD1 3.9Å; M651-Y655 HydrophobicContact CE-CG 4.4Å; L653-Y655 VanDerWaalsContact C-N 3.34Å; L653-Y655 PolarHBondContact O-N 3.47Å; Y655-G657 WeakPolarHBondContact CD1-O 3.46Å; Y655-G657 WeakPolarHBondContact CE1-O 3.32Å; Y655-G657 PolarHBondContact O-N 3.21Å; Y655-T658 WeakPolarHBondContact CE1-O 3.17Å |
| 656 | P | 96.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 14.4 Ų | 14.4 | 13% | 0.13 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -87.6 | 52.8 | -171.4 | 37.1 | -38.4 | 0 | 0 | 0 | 112.5 | M501 H920 L941 A942 | M501-P656 HydrophobicContact SD-CG 4.22Å; P656-H920 VanDerWaalsContact CB-CE1 3.41Å; P656-H920 WeakPolarHBondContact CB-CE1 3.46Å; P656-L941 HydrophobicContact CB-CD2 3.96Å; P656-A942 HydrophobicContact CB-CB 3.91Å; P656-A942 HydrophobicContact CG-CB 4.25Å |
| 657 | G | 96.8 | Very high | 97.7 | Very high | 11 Ų | 11 | 14.6 Ų | 14.6 | 11% | 0.113 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -176 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y655 | Y655-G657 WeakPolarHBondContact CD1-O 3.46Å; Y655-G657 WeakPolarHBondContact CE1-O 3.32Å; Y655-G657 PolarHBondContact O-N 3.21Å |
| 658 | T | 98.5 | Very high | 97.8 | Very high | 12 Ų | 12 | 14.4 Ų | 14.4 | 7% | 0.074 | 8% | 0.083 | C | C | . | . | trans | -61.5 | 139.9 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | A514 Y655 G660 Q681 S683 E684 | A514-T658 HydrophobicContact CB-CG2 4.03Å; Y655-T658 WeakPolarHBondContact CE1-O 3.17Å; T658-G660 PolarHBondContact OG1-N 2.89Å; T658-Q681 WeakPolarHBondContact CG2-O 3.04Å; T658-S683 PolarHBondContact OG1-N 3.05Å; T658-S683 PolarHBondContact OG1-OG 3.43Å; T658-E684 PolarHBondContact OG1-OE2 3.23Å | ||
| 659 | S | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 14.3 Ų | 14.3 | 4% | 0.035 | 8% | 0.082 | C | C | . | . | trans | -71.9 | -23 | 166.3 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | A514 Y632 A661 M664 E684 | A514-S659 CarbonylContact C-O 3.58Å; A514-S659 WeakPolarHBondContact CB-O 3.35Å; A514-S659 VanDerWaalsContact O-O 3.12Å; Y632-S659 WeakPolarHBondContact CE2-O 3.34Å; Y632-S659 VanDerWaalsContact CZ-O 3.27Å; Y632-S659 PolarHBondContact OH-O 3.2Å; S659-A661 PolarHBondContact O-N 3.34Å; S659-A661 VanDerWaalsContact O-N 3.12Å; S659-A661 PolarHBondContact OG-N 2.92Å; S659-A661 VanDerWaalsContact OG-N 3.11Å; S659-M664 WeakPolarHBondContact OG-CB 3.48Å; S659-M664 VanDerWaalsContact OG-CG 3.32Å; S659-M664 WeakPolarHBondContact OG-CG 3.42Å; S659-E684 WeakPolarHBondContact CA-OE1 3.42Å; S659-E684 WeakPolarHBondContact CB-OE1 3.32Å; S659-E684 PolarHBondContact N-OE1 3.39Å; S659-E684 PolarHBondContact OG-OE1 3.27Å | ||
| 660 | G | 97.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 4% | 0.041 | 8% | 0.083 | C | C | . | . | trans | 66.4 | 2.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E515 T658 S683 | E515-G660 VanDerWaalsContact CA-O 3.25Å; E515-G660 WeakPolarHBondContact CA-O 3.42Å; E515-G660 WeakPolarHBondContact CB-O 3.26Å; T658-G660 PolarHBondContact OG1-N 2.89Å; G660-S683 VanDerWaalsContact C-OG 3.23Å; G660-S683 WeakPolarHBondContact CA-OG 3.48Å; G660-S683 PolarHBondContact N-OG 3.07Å | ||
| 661 | A | 97.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | trans | -103 | 131.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S659 F663 M664 S683 | S659-A661 PolarHBondContact O-N 3.34Å; S659-A661 VanDerWaalsContact O-N 3.12Å; S659-A661 PolarHBondContact OG-N 2.92Å; S659-A661 VanDerWaalsContact OG-N 3.11Å; A661-F663 HydrophobicContact CB-CD1 3.84Å; A661-F663 HydrophobicContact CB-CD2 4.08Å; A661-F663 HydrophobicContact CB-CE1 3.47Å; A661-F663 VanDerWaalsContact CB-CE1 3.47Å; A661-F663 HydrophobicContact CB-CE2 3.71Å; A661-F663 HydrophobicContact CB-CG 4.14Å; A661-F663 HydrophobicContact CB-CZ 3.39Å; A661-F663 PolarHBondContact O-N 3.5Å; A661-F663 VanDerWaalsContact O-N 3.11Å; A661-M664 PolarHBondContact O-N 3.25Å; A661-M664 VanDerWaalsContact O-N 3.08Å; A661-S683 PolarHBondContact N-OG 3.42Å | ||
| 662 | L | 97.2 | Very high | 97.6 | Very high | 148 Ų | 148 | 23.5 Ų | 23.5 | 78% | 0.775 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17 | 178.4 | -64.7 | 177.5 | 0 | 0 | 0 | 113.6 | R644 | R644-L662 PolarHBondContact NH2-O 3.3Š|
| 663 | F | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 4% | 0.039 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12.6 | 176.9 | 57.6 | -108.3 | 0 | 0 | 0 | 113.6 | C521 L522 F641 A642 R644 Q649 A661 | C521-F663 HydrophobicContact CB-CE1 4.35Å; C521-F663 HydrophobicContact CB-CZ 4.43Å; L522-F663 HydrophobicContact CD2-CD1 4.17Å; F641-F663 HydrophobicContact CB-CD2 3.75Å; F641-F663 HydrophobicContact CB-CE2 3.81Å; A642-F663 HydrophobicContact CB-CD1 3.71Å; A642-F663 HydrophobicContact CB-CE1 3.67Å; A642-F663 HydrophobicContact CB-CG 4.22Å; A642-F663 HydrophobicContact CB-CZ 4.17Å; R644-F663 HydrophobicContact CG-CB 4.09Å; Q649-F663 PolarHBondContact NE2-O 2.96Å; A661-F663 HydrophobicContact CB-CD1 3.84Å; A661-F663 HydrophobicContact CB-CD2 4.08Å; A661-F663 HydrophobicContact CB-CE1 3.47Å; A661-F663 VanDerWaalsContact CB-CE1 3.47Å; A661-F663 HydrophobicContact CB-CE2 3.71Å; A661-F663 HydrophobicContact CB-CG 4.14Å; A661-F663 HydrophobicContact CB-CZ 3.39Å; A661-F663 PolarHBondContact O-N 3.5Å; A661-F663 VanDerWaalsContact O-N 3.11Å |
| 664 | M | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | trans | -92.7 | 118.2 | 170.7 | -60.8 | -50.9 | -59.6 | 0 | 0 | 108.9 | N628 F641 Q649 A650 M651 S659 A661 E684 | N628-M664 HydrophobicContact CB-CE 3.62Å; N628-M664 HydrophobicContact CB-SD 4.41Å; F641-M664 HydrophobicContact CB-SD 3.82Å; F641-M664 HydrophobicContact CD1-CE 4.06Å; F641-M664 HydrophobicContact CD1-SD 3.82Å; F641-M664 HydrophobicContact CE1-CE 4.42Å; F641-M664 HydrophobicContact CG-SD 3.98Å; Q649-M664 HydrophobicContact CB-CE 4.09Å; Q649-M664 HydrophobicContact CB-SD 4.27Å; A650-M664 WeakPolarHBondContact O-CE 3.05Å; M651-M664 HydrophobicContact CB-CE 4.45Å; M651-M664 HydrophobicContact CG-CB 4.16Å; M651-M664 HydrophobicContact CG-CE 3.65Å; M651-M664 HydrophobicContact CG-CG 3.97Å; M651-M664 HydrophobicContact SD-CE 3.79Å; M651-M664 HydrophobicContact SD-CG 4.09Å; M651-M664 HydrophobicContact SD-SD 4.33Å; S659-M664 WeakPolarHBondContact OG-CB 3.48Å; S659-M664 VanDerWaalsContact OG-CG 3.32Å; S659-M664 WeakPolarHBondContact OG-CG 3.42Å; A661-M664 PolarHBondContact O-N 3.25Å; A661-M664 VanDerWaalsContact O-N 3.08Å; M664-E684 HydrophobicContact CB-CG 3.64Å | ||
| 665 | D | 98.7 | Very high | 97.9 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | trans | -84 | -40.6 | -174.6 | -58.7 | -55.3 | 0 | 0 | 0 | 111.2 | R644 Q649 K685 P1023 | R644-D665 IonicContact CZ-OD1 2.81Å; R644-D665 IonicContact NH1-OD1 3.92Å; R644-D665 IonicContact NH2-OD1 3.82Å; R644-D665 PolarHBondContact NH2-OD1 3.13Å; R644-D665 VanDerWaalsContact NH2-OD1 3.14Å; Q649-D665 PolarHBondContact N-OD2 2.87Å; Q649-D665 WeakPolarHBondContact O-CB 3.48Å; Q649-D665 PolarHBondContact O-N 2.91Å; D665-K685 WeakPolarHBondContact O-CB 3.41Å; D665-K685 PolarHBondContact O-N 2.84Å; D665-P1023 HydrophobicContact CB-CB 3.97Å; D665-P1023 HydrophobicContact CB-CG 3.53Å | ||
| 666 | Y | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.2 | -174.8 | -71.5 | -78.9 | 0 | 0 | 0 | 113.1 | I648 Q649 A650 M651 E684 K685 A687 M1013 P1023 D1024 M1026 | I648-Y666 HydrophobicContact CG2-CD2 3.83Å; I648-Y666 HydrophobicContact CG2-CE2 4.1Å; Q649-Y666 PolarHBondContact O-N 3.3Å; Q649-Y666 VanDerWaalsContact O-N 3.11Å; A650-Y666 CarbonylContact C-O 3.4Å; A650-Y666 VanDerWaalsContact CA-O 3.28Å; A650-Y666 WeakPolarHBondContact CA-O 3.36Å; M651-Y666 PolarHBondContact N-O 3.3Å; Y666-E684 VanDerWaalsContact C-CB 3.46Å; Y666-K685 CarbonylContact C-O 3.07Å; Y666-K685 VanDerWaalsContact CA-O 3.26Å; Y666-K685 WeakPolarHBondContact CA-O 3.33Å; Y666-K685 HydrophobicContact CD1-CB 3.7Å; Y666-K685 WeakPolarHBondContact CD1-O 3.43Å; Y666-K685 HydrophobicContact CE1-CB 3.7Å; Y666-A687 HydrophobicContact CD1-CB 4.07Å; Y666-M1013 HydrophobicContact CD1-CE 4.09Å; Y666-M1013 HydrophobicContact CD2-CE 4.31Å; Y666-M1013 HydrophobicContact CD2-CG 4.34Å; Y666-M1013 HydrophobicContact CD2-SD 4.22Å; Y666-M1013 HydrophobicContact CE2-CG 4.23Å; Y666-M1013 HydrophobicContact CG-CE 3.84Å; Y666-M1013 HydrophobicContact CG-SD 4.34Å; Y666-P1023 HydrophobicContact CE2-CB 3.79Å; Y666-P1023 HydrophobicContact CE2-CG 4.26Å; Y666-P1023 WeakPolarHBondContact OH-CA 3.48Å; Y666-D1024 WeakPolarHBondContact CE1-O 3.46Å; Y666-D1024 PolarHBondContact OH-N 3.36Å; Y666-D1024 PolarHBondContact OH-O 3.33Å; Y666-M1026 HydrophobicContact CE1-CG 3.98Å; Y666-M1026 WeakPolarHBondContact OH-CE 3.47Å |
| 667 | I | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.4 | 161 | -173.4 | 168.9 | 0 | 0 | 0 | 108.7 | M651 T669 Y682 E684 K685 L686 A687 L941 | M651-I667 HydrophobicContact CB-CB 4.23Å; M651-I667 HydrophobicContact CB-CG1 4Å; I667-T669 PolarHBondContact O-N 3.33Å; I667-Y682 HydrophobicContact CD1-CD1 4.03Å; I667-Y682 HydrophobicContact CD1-CE1 4.16Å; I667-Y682 HydrophobicContact CG2-CD1 4.16Å; I667-E684 HydrophobicContact CB-CB 3.96Å; I667-E684 HydrophobicContact CB-CG 4.33Å; I667-E684 HydrophobicContact CG2-CB 3.96Å; I667-K685 PolarHBondContact N-O 3.48Å; I667-L686 HydrophobicContact CG2-CD2 3.78Å; I667-A687 PolarHBondContact O-N 3.08Å; I667-L941 HydrophobicContact CD1-CD1 3.91Å |
| 668 | I | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.9 | 177.2 | -57.9 | -178.7 | 0 | 0 | 0 | 107.9 | A650 M651 W652 M689 L1006 L1009 Y1010 M1013 | A650-I668 HydrophobicContact CB-CD1 4.45Å; A650-I668 HydrophobicContact CB-CG1 4.41Å; M651-I668 PolarHBondContact O-N 3.02Å; W652-I668 HydrophobicContact CB-CB 4.17Å; W652-I668 HydrophobicContact CB-CD1 4Å; W652-I668 HydrophobicContact CB-CG1 4.34Å; W652-I668 HydrophobicContact CG-CB 4.17Å; W652-I668 HydrophobicContact CG-CD1 4.06Å; W652-I668 HydrophobicContact CG-CG2 4.45Å; I668-M689 HydrophobicContact CG2-CG 3.84Å; I668-M689 HydrophobicContact CG2-SD 4.42Å; I668-L1006 HydrophobicContact CD1-CD1 3.82Å; I668-L1006 HydrophobicContact CG2-CD1 4.44Å; I668-L1009 HydrophobicContact CG1-CD2 4.43Å; I668-L1009 HydrophobicContact CG2-CD2 4.06Å; I668-Y1010 HydrophobicContact CD1-CE1 3.85Å; I668-M1013 HydrophobicContact CG1-CE 4.16Å |
| 669 | T | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | -165.8 | -174.6 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | I667 S674 L686 A687 Y688 M689 | I667-T669 PolarHBondContact O-N 3.33Å; T669-S674 VanDerWaalsContact OG1-CB 3.23Å; T669-S674 WeakPolarHBondContact OG1-CB 3.4Å; T669-S674 PolarHBondContact OG1-OG 2.93Å; T669-L686 HydrophobicContact CG2-CB 4.31Å; T669-L686 HydrophobicContact CG2-CD2 4.22Å; T669-A687 PolarHBondContact N-O 3.36Å; T669-A687 VanDerWaalsContact O-O 3.08Å; T669-Y688 HydrophobicContact CG2-CD1 3.85Å; T669-Y688 HydrophobicContact CG2-CE1 3.93Å; T669-Y688 CarbonylContact O-C 3.53Å; T669-Y688 WeakPolarHBondContact O-CA 3.44Å; T669-M689 PolarHBondContact O-N 3.29Å |
| 670 | D | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 166.8 | 172.1 | 58.4 | 66.6 | 0 | 0 | 0 | 110.4 | E672 T673 S674 T692 F693 S948 | D670-E672 PolarHBondContact O-N 3.13Å; D670-E672 WeakPolarHBondContact OD1-CB 3.31Å; D670-E672 PolarHBondContact OD1-N 3.29Å; D670-E672 VanDerWaalsContact OD1-N 3.12Å; D670-T673 VanDerWaalsContact CG-OG1 3.27Å; D670-T673 PolarHBondContact O-N 3.33Å; D670-T673 VanDerWaalsContact OD1-CB 3.31Å; D670-T673 WeakPolarHBondContact OD1-CB 3.45Å; D670-T673 PolarHBondContact OD1-N 2.93Å; D670-T673 PolarHBondContact OD1-OG1 3.36Å; D670-T673 PolarHBondContact OD2-OG1 2.88Å; D670-T673 VanDerWaalsContact OD2-OG1 3.08Å; D670-S674 PolarHBondContact O-N 3.27Å; D670-T692 VanDerWaalsContact OD2-CA 3.24Å; D670-T692 WeakPolarHBondContact OD2-CA 3.38Å; D670-T692 PolarHBondContact OD2-OG1 2.9Å; D670-F693 VanDerWaalsContact OD2-CD1 3.3Å; D670-F693 WeakPolarHBondContact OD2-CD1 3.31Å; D670-F693 PolarHBondContact OD2-N 3.26Å; D670-S948 PolarHBondContact OD1-OG 3.13Å; D670-S948 PolarHBondContact OD2-OG 2.85Å |
| 671 | Q | 97.6 | Very high | 97.6 | Very high | 123 Ų | 123 | 38.6 Ų | 38.6 | 58% | 0.575 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -36.3 | -178.2 | -176.8 | -175.6 | -8 | 0 | 0 | 112.3 | P675 Y688 | Q671-P675 VanDerWaalsContact O-CA 3.32Å; Q671-P675 WeakPolarHBondContact O-CA 3.49Å; Q671-P675 VanDerWaalsContact O-CB 3.31Å; Q671-P675 WeakPolarHBondContact O-CB 3.07Å; Q671-P675 WeakPolarHBondContact O-CD 3.46Å; Q671-Y688 HydrophobicContact CB-CD2 4.08Å; Q671-Y688 HydrophobicContact CB-CE2 3.9Å; Q671-Y688 HydrophobicContact CG-CE2 4.22Å |
| 672 | E | 97 | Very high | 97.6 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -39.8 | -177.8 | -63.4 | -59.9 | 149.6 | 0 | 0 | 111.5 | D670 R944 T951 | D670-E672 PolarHBondContact O-N 3.13Å; D670-E672 WeakPolarHBondContact OD1-CB 3.31Å; D670-E672 PolarHBondContact OD1-N 3.29Å; D670-E672 VanDerWaalsContact OD1-N 3.12Å; E672-R944 PolarHBondContact O-NE 3.28Å; E672-R944 PolarHBondContact O-NH2 3.47Å; E672-T951 HydrophobicContact CG-CG2 3.81Å |
| 673 | T | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -42.7 | -176.8 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | D670 F693 L941 R944 V945 S948 | D670-T673 VanDerWaalsContact CG-OG1 3.27Å; D670-T673 PolarHBondContact O-N 3.33Å; D670-T673 VanDerWaalsContact OD1-CB 3.31Å; D670-T673 WeakPolarHBondContact OD1-CB 3.45Å; D670-T673 PolarHBondContact OD1-N 2.93Å; D670-T673 PolarHBondContact OD1-OG1 3.36Å; D670-T673 PolarHBondContact OD2-OG1 2.88Å; D670-T673 VanDerWaalsContact OD2-OG1 3.08Å; T673-F693 HydrophobicContact CG2-CE1 3.92Å; T673-L941 HydrophobicContact CG2-CB 4.33Å; T673-L941 HydrophobicContact CG2-CD2 3.98Å; T673-L941 HydrophobicContact CG2-CG 3.64Å; T673-L941 WeakPolarHBondContact CG2-O 3.32Å; T673-R944 HydrophobicContact CG2-CB 4.12Å; T673-R944 VanDerWaalsContact O-CD 3.23Å; T673-R944 WeakPolarHBondContact O-CD 3.35Å; T673-R944 PolarHBondContact O-NE 3.17Å; T673-V945 HydrophobicContact CG2-CG2 4.36Å; T673-S948 WeakPolarHBondContact OG1-CB 3.31Å; T673-S948 PolarHBondContact OG1-OG 3.39Å |
| 674 | S | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -132.3 | 67.5 | -175.5 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | T669 D670 Y682 Y688 | T669-S674 VanDerWaalsContact OG1-CB 3.23Å; T669-S674 WeakPolarHBondContact OG1-CB 3.4Å; T669-S674 PolarHBondContact OG1-OG 2.93Å; D670-S674 PolarHBondContact O-N 3.27Å; S674-Y682 WeakPolarHBondContact CB-OH 3.21Å; S674-Y682 PolarHBondContact OG-OH 3.3Å; S674-Y688 WeakPolarHBondContact O-CE1 3.33Å; S674-Y688 PolarHBondContact O-OH 3.19Å |
| 675 | P | 96.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | trans | -61.4 | 156.3 | 178.4 | 27.4 | -34.7 | 0 | 0 | 0 | 111 | Q671 E677 V678 | Q671-P675 VanDerWaalsContact O-CA 3.32Å; Q671-P675 WeakPolarHBondContact O-CA 3.49Å; Q671-P675 VanDerWaalsContact O-CB 3.31Å; Q671-P675 WeakPolarHBondContact O-CB 3.07Å; Q671-P675 WeakPolarHBondContact O-CD 3.46Å; P675-E677 VanDerWaalsContact CB-OE2 3.31Å; P675-E677 WeakPolarHBondContact CB-OE2 3.37Å; P675-E677 PolarHBondContact O-N 3.08Å; P675-E677 VanDerWaalsContact O-N 3.11Å; P675-V678 HydrophobicContact CG-CG2 3.89Å; P675-V678 WeakPolarHBondContact O-CG2 3.42Å; P675-V678 PolarHBondContact O-N 2.86Å | ||
| 676 | A | 95.9 | Very high | 97.7 | Very high | 48 Ų | 48 | 36.3 Ų | 36.3 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -63.3 | -25.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V678 A679 Y688 | A676-V678 PolarHBondContact O-N 3.48Å; A676-A679 WeakPolarHBondContact O-CB 3.48Å; A676-A679 PolarHBondContact O-N 3.25Å; A676-Y688 PolarHBondContact N-OH 3.01Å |
| 677 | E | 95.9 | Very high | 97.6 | Very high | 157 Ų | 157 | 36.1 Ų | 36.1 | 73% | 0.734 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -62 | -26.1 | 175.9 | -62.4 | 77.2 | -172.7 | 0 | 0 | 112.6 | P675 | P675-E677 VanDerWaalsContact CB-OE2 3.31Å; P675-E677 WeakPolarHBondContact CB-OE2 3.37Å; P675-E677 PolarHBondContact O-N 3.08Å; P675-E677 VanDerWaalsContact O-N 3.11Å |
| 678 | V | 96.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -102.9 | 14.1 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | P675 A676 E680 Q681 Y682 | P675-V678 HydrophobicContact CG-CG2 3.89Å; P675-V678 WeakPolarHBondContact O-CG2 3.42Å; P675-V678 PolarHBondContact O-N 2.86Å; A676-V678 PolarHBondContact O-N 3.48Å; V678-E680 PolarHBondContact O-N 2.84Å; V678-E680 VanDerWaalsContact O-N 3.09Å; V678-Q681 HydrophobicContact CB-CG 4.17Å; V678-Q681 WeakPolarHBondContact O-CB 3.33Å; V678-Q681 VanDerWaalsContact O-CG 3.27Å; V678-Q681 WeakPolarHBondContact O-CG 3.41Å; V678-Q681 PolarHBondContact O-N 3.25Å; V678-Q681 VanDerWaalsContact O-N 3.08Å; V678-Y682 HydrophobicContact CG2-CE2 4.18Å; V678-Y682 WeakPolarHBondContact O-CD2 3.3Å; V678-Y682 VanDerWaalsContact O-CE2 3.3Å; V678-Y682 WeakPolarHBondContact O-CE2 3.42Å |
| 679 | A | 96.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -57.2 | -27 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A676 Q681 Y682 L686 | A676-A679 WeakPolarHBondContact O-CB 3.48Å; A676-A679 PolarHBondContact O-N 3.25Å; A679-Q681 PolarHBondContact O-N 2.61Å; A679-Q681 VanDerWaalsContact O-N 3.12Å; A679-Y682 PolarHBondContact O-N 3.23Å; A679-L686 HydrophobicContact CB-CD1 3.98Å |
| 680 | E | 96 | Very high | 97.5 | Very high | 129 Ų | 129 | 40 Ų | 40 | 60% | 0.603 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -59.8 | -22 | 177.4 | 62.7 | 165.7 | -158 | 0 | 0 | 114.3 | H507 K511 V678 Y682 | H507-E680 IonicContact CD2-OE1 3.76Å; K511-E680 WeakPolarHBondContact CE-O 2.96Å; K511-E680 PolarHBondContact NZ-O 3.36Å; V678-E680 PolarHBondContact O-N 2.84Å; V678-E680 VanDerWaalsContact O-N 3.09Å; E680-Y682 VanDerWaalsContact C-N 3.26Å; E680-Y682 PolarHBondContact O-N 2.96Å |
| 681 | Q | 96.8 | Very high | 97.3 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -73.8 | -19.2 | 178.2 | -49.4 | -171.8 | 14.4 | 0 | 0 | 112.5 | H507 T658 V678 A679 E939 | H507-Q681 HydrophobicContact CB-CB 4.38Å; H507-Q681 HydrophobicContact CB-CG 3.74Å; H507-Q681 VanDerWaalsContact CE1-CD 3.43Å; H507-Q681 PolarHBondContact CE1-NE2 2.67Å; H507-Q681 VanDerWaalsContact CG-CG 3.47Å; H507-Q681 PolarHBondContact ND1-NE2 3.01Å; H507-Q681 PolarHBondContact ND1-OE1 3.25Å; H507-Q681 PolarHBondContact NE2-NE2 3.49Å; T658-Q681 WeakPolarHBondContact CG2-O 3.04Å; V678-Q681 HydrophobicContact CB-CG 4.17Å; V678-Q681 WeakPolarHBondContact O-CB 3.33Å; V678-Q681 VanDerWaalsContact O-CG 3.27Å; V678-Q681 WeakPolarHBondContact O-CG 3.41Å; V678-Q681 PolarHBondContact O-N 3.25Å; V678-Q681 VanDerWaalsContact O-N 3.08Å; A679-Q681 PolarHBondContact O-N 2.61Å; A679-Q681 VanDerWaalsContact O-N 3.12Å; Q681-E939 PolarHBondContact NE2-O 3.27Å; Q681-E939 PolarHBondContact OE1-O 3.36Å |
| 682 | Y | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | trans | -105 | 146.4 | -172.9 | -52.7 | -88.3 | 0 | 0 | 0 | 110.7 | I667 S674 V678 A679 E680 L686 L941 | I667-Y682 HydrophobicContact CD1-CD1 4.03Å; I667-Y682 HydrophobicContact CD1-CE1 4.16Å; I667-Y682 HydrophobicContact CG2-CD1 4.16Å; S674-Y682 WeakPolarHBondContact CB-OH 3.21Å; S674-Y682 PolarHBondContact OG-OH 3.3Å; V678-Y682 HydrophobicContact CG2-CE2 4.18Å; V678-Y682 WeakPolarHBondContact O-CD2 3.3Å; V678-Y682 VanDerWaalsContact O-CE2 3.3Å; V678-Y682 WeakPolarHBondContact O-CE2 3.42Å; A679-Y682 PolarHBondContact O-N 3.23Å; E680-Y682 VanDerWaalsContact C-N 3.26Å; E680-Y682 PolarHBondContact O-N 2.96Å; Y682-L686 HydrophobicContact CD1-CD2 4.42Å; Y682-L686 HydrophobicContact CD2-CD2 3.76Å; Y682-L686 HydrophobicContact CE2-CD2 4.21Å; Y682-L686 HydrophobicContact CG-CD2 3.87Å; Y682-L941 HydrophobicContact CE1-CB 4.38Å; Y682-L941 HydrophobicContact CE1-CD1 4Å | ||
| 683 | S | 98.1 | Very high | 97.4 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -89.1 | -31.2 | 167.4 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | T658 G660 A661 | T658-S683 PolarHBondContact OG1-N 3.05Å; T658-S683 PolarHBondContact OG1-OG 3.43Å; G660-S683 VanDerWaalsContact C-OG 3.23Å; G660-S683 WeakPolarHBondContact CA-OG 3.48Å; G660-S683 PolarHBondContact N-OG 3.07Å; A661-S683 PolarHBondContact N-OG 3.42Å |
| 684 | E | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -79.4 | 161 | -180 | -52.4 | 87.5 | 165.2 | 0 | 0 | 112.2 | T658 S659 M664 Y666 I667 | T658-E684 PolarHBondContact OG1-OE2 3.23Å; S659-E684 WeakPolarHBondContact CA-OE1 3.42Å; S659-E684 WeakPolarHBondContact CB-OE1 3.32Å; S659-E684 PolarHBondContact N-OE1 3.39Å; S659-E684 PolarHBondContact OG-OE1 3.27Å; M664-E684 HydrophobicContact CB-CG 3.64Å; Y666-E684 VanDerWaalsContact C-CB 3.46Å; I667-E684 HydrophobicContact CB-CB 3.96Å; I667-E684 HydrophobicContact CB-CG 4.33Å; I667-E684 HydrophobicContact CG2-CB 3.96Å |
| 685 | K | 98.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 35.5 Ų | 35.5 | 29% | 0.291 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 135.3 | 168.6 | -60.6 | -61.2 | -173.5 | 170.4 | 0 | 110.6 | D665 Y666 I667 P1023 D1024 | D665-K685 WeakPolarHBondContact O-CB 3.41Å; D665-K685 PolarHBondContact O-N 2.84Å; Y666-K685 CarbonylContact C-O 3.07Å; Y666-K685 VanDerWaalsContact CA-O 3.26Å; Y666-K685 WeakPolarHBondContact CA-O 3.33Å; Y666-K685 HydrophobicContact CD1-CB 3.7Å; Y666-K685 WeakPolarHBondContact CD1-O 3.43Å; Y666-K685 HydrophobicContact CE1-CB 3.7Å; I667-K685 PolarHBondContact N-O 3.48Å; K685-P1023 WeakPolarHBondContact CE-O 3.48Å; K685-P1023 HydrophobicContact CG-CB 3.98Å; K685-D1024 IonicContact NZ-OD1 2.77Å |
| 686 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 131 | 178.8 | -52.7 | 179.2 | 0 | 0 | 0 | 109.8 | I667 T669 A679 Y682 Y688 H1025 M1026 I1027 | I667-L686 HydrophobicContact CG2-CD2 3.78Å; T669-L686 HydrophobicContact CG2-CB 4.31Å; T669-L686 HydrophobicContact CG2-CD2 4.22Å; A679-L686 HydrophobicContact CB-CD1 3.98Å; Y682-L686 HydrophobicContact CD1-CD2 4.42Å; Y682-L686 HydrophobicContact CD2-CD2 3.76Å; Y682-L686 HydrophobicContact CE2-CD2 4.21Å; Y682-L686 HydrophobicContact CG-CD2 3.87Å; L686-Y688 HydrophobicContact CB-CD1 4.34Å; L686-Y688 HydrophobicContact CB-CE1 3.87Å; L686-Y688 HydrophobicContact CD1-CE1 4.1Å; L686-H1025 PolarHBondContact N-ND1 3.28Å; L686-H1025 VanDerWaalsContact N-ND1 3.16Å; L686-H1025 CarbonylContact O-C 3.46Å; L686-H1025 WeakPolarHBondContact O-CA 3.33Å; L686-M1026 PolarHBondContact O-N 3.48Å; L686-I1027 HydrophobicContact CB-CG2 4.03Å |
| 687 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 110 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y666 I667 T669 L1009 M1013 M1026 | Y666-A687 HydrophobicContact CD1-CB 4.07Å; I667-A687 PolarHBondContact O-N 3.08Å; T669-A687 PolarHBondContact N-O 3.36Å; T669-A687 VanDerWaalsContact O-O 3.08Å; A687-L1009 HydrophobicContact CB-CD1 4.1Å; A687-L1009 HydrophobicContact CB-CD2 4Å; A687-L1009 HydrophobicContact CB-CG 4.35Å; A687-M1013 HydrophobicContact CB-CE 3.31Å; A687-M1026 HydrophobicContact CB-CB 4.27Å |
| 688 | Y | 98.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 12% | 0.118 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.1 | -171.3 | -71.7 | -5.8 | 0 | 0 | 0 | 112.2 | T669 Q671 S674 A676 L686 M1026 I1027 | T669-Y688 HydrophobicContact CG2-CD1 3.85Å; T669-Y688 HydrophobicContact CG2-CE1 3.93Å; T669-Y688 CarbonylContact O-C 3.53Å; T669-Y688 WeakPolarHBondContact O-CA 3.44Å; Q671-Y688 HydrophobicContact CB-CD2 4.08Å; Q671-Y688 HydrophobicContact CB-CE2 3.9Å; Q671-Y688 HydrophobicContact CG-CE2 4.22Å; S674-Y688 WeakPolarHBondContact O-CE1 3.33Å; S674-Y688 PolarHBondContact O-OH 3.19Å; A676-Y688 PolarHBondContact N-OH 3.01Å; L686-Y688 HydrophobicContact CB-CD1 4.34Å; L686-Y688 HydrophobicContact CB-CE1 3.87Å; L686-Y688 HydrophobicContact CD1-CE1 4.1Å; Y688-M1026 PolarHBondContact N-O 2.97Å; Y688-I1027 HydrophobicContact CD1-CG2 3.95Å; Y688-I1027 HydrophobicContact CD2-CB 3.74Å; Y688-I1027 HydrophobicContact CD2-CG2 3.75Å; Y688-I1027 HydrophobicContact CE1-CG2 3.74Å; Y688-I1027 HydrophobicContact CE2-CB 3.61Å; Y688-I1027 HydrophobicContact CE2-CG2 3.52Å; Y688-I1027 HydrophobicContact CG-CB 4.34Å; Y688-I1027 HydrophobicContact CG-CG2 3.94Å; Y688-I1027 VanDerWaalsContact CZ-CG2 3.5Å |
| 689 | M | 98.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 146.4 | 156 | -69.7 | -64 | -71.9 | 0 | 0 | 109.5 | I668 T669 H691 T692 F693 Y1002 E1005 L1006 L1009 | I668-M689 HydrophobicContact CG2-CG 3.84Å; I668-M689 HydrophobicContact CG2-SD 4.42Å; T669-M689 PolarHBondContact O-N 3.29Å; M689-H691 VanDerWaalsContact C-N 3.31Å; M689-H691 PolarHBondContact O-N 3.43Å; M689-T692 WeakPolarHBondContact CB-O 3.21Å; M689-F693 HydrophobicContact CG-CB 4.24Å; M689-Y1002 HydrophobicContact CE-CD1 4.34Å; M689-Y1002 HydrophobicContact CE-CD2 3.89Å; M689-Y1002 HydrophobicContact CE-CE1 4.11Å; M689-Y1002 HydrophobicContact CE-CE2 3.68Å; M689-Y1002 HydrophobicContact CE-CG 4.22Å; M689-E1005 HydrophobicContact CE-CB 3.89Å; M689-L1006 HydrophobicContact CE-CB 4.26Å; M689-L1006 HydrophobicContact SD-CB 4.42Å; M689-L1006 HydrophobicContact SD-CD1 4.08Å; M689-L1009 HydrophobicContact CG-CD2 4.44Å; M689-L1009 HydrophobicContact SD-CD2 3.92Å |
| 690 | P | 96.1 | Very high | 97.7 | Very high | 52 Ų | 52 | 26.9 Ų | 26.9 | 34% | 0.338 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -69.1 | -24.3 | -170.8 | 23.9 | -33.7 | 0 | 0 | 0 | 114.7 | E1005 V1030 | P690-E1005 HydrophobicContact CG-CB 3.88Å; P690-E1005 HydrophobicContact CG-CG 3.7Å; P690-V1030 HydrophobicContact CB-CG2 4.3Å |
| 691 | H | 95 | Very high | 97.8 | Very high | 82 Ų | 82 | 21 Ų | 21 | 38% | 0.38 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -123 | -61.3 | -178.3 | -54.1 | 100.5 | 0 | 0 | 0 | 111.6 | M689 C952 P995 | M689-H691 VanDerWaalsContact C-N 3.31Å; M689-H691 PolarHBondContact O-N 3.43Å; H691-C952 HydrophobicContact CB-CB 4.28Å; H691-P995 HydrophobicContact CB-CG 4.36Å |
| 692 | T | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | trans | -150.7 | 147.2 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | D670 M689 F694 S948 C952 L996 | D670-T692 VanDerWaalsContact OD2-CA 3.24Å; D670-T692 WeakPolarHBondContact OD2-CA 3.38Å; D670-T692 PolarHBondContact OD2-OG1 2.9Å; M689-T692 WeakPolarHBondContact CB-O 3.21Å; T692-F694 WeakPolarHBondContact CG2-O 3.18Å; T692-F694 PolarHBondContact OG1-N 2.91Å; T692-F694 VanDerWaalsContact OG1-N 3.14Å; T692-S948 VanDerWaalsContact CB-OG 3.23Å; T692-S948 WeakPolarHBondContact CB-OG 3.42Å; T692-S948 PolarHBondContact OG1-OG 3.33Å; T692-C952 HydrophobicContact CG2-CB 3.61Å; T692-C952 VanDerWaalsContact CG2-SG 3.51Å; T692-L996 HydrophobicContact CG2-CD1 3.98Å | ||
| 693 | F | 98.2 | Very high | 97.8 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -77.1 | -16.2 | 169.9 | 87.6 | -81.8 | 0 | 0 | 0 | 112.3 | L653 D670 T673 M689 L941 V945 Y1002 | L653-F693 HydrophobicContact CD1-CE2 4.49Å; D670-F693 VanDerWaalsContact OD2-CD1 3.3Å; D670-F693 WeakPolarHBondContact OD2-CD1 3.31Å; D670-F693 PolarHBondContact OD2-N 3.26Å; T673-F693 HydrophobicContact CG2-CE1 3.92Å; M689-F693 HydrophobicContact CG-CB 4.24Å; F693-L941 HydrophobicContact CE1-CD2 4.35Å; F693-L941 HydrophobicContact CZ-CD2 4.02Å; F693-V945 HydrophobicContact CE1-CG2 4.18Å; F693-V945 HydrophobicContact CZ-CG2 4.16Å; F693-Y1002 WeakPolarHBondContact O-CE2 3.28Å; F693-Y1002 PolarHBondContact O-OH 3.08Å |
| 694 | F | 98 | Very high | 97.8 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | trans | -81.7 | 145.8 | -177.3 | -140.4 | -92.3 | 0 | 0 | 0 | 111.4 | L563 L653 T692 H920 M924 V945 Q949 | L563-F694 HydrophobicContact CD1-CE1 3.71Å; L563-F694 HydrophobicContact CD1-CZ 3.58Å; L563-F694 HydrophobicContact CD2-CE1 4.03Å; L563-F694 HydrophobicContact CG-CE1 4.5Å; L653-F694 HydrophobicContact CD1-CD2 3.99Å; L653-F694 HydrophobicContact CD1-CE2 3.83Å; L653-F694 HydrophobicContact CD1-CG 4.49Å; L653-F694 HydrophobicContact CD1-CZ 4.21Å; T692-F694 WeakPolarHBondContact CG2-O 3.18Å; T692-F694 PolarHBondContact OG1-N 2.91Å; T692-F694 VanDerWaalsContact OG1-N 3.14Å; F694-H920 HydrophobicContact CE1-CB 4.48Å; F694-H920 WeakPolarHBondContact CE1-O 3.45Å; F694-H920 HydrophobicContact CE2-CB 3.7Å; F694-H920 HydrophobicContact CZ-CB 3.54Å; F694-M924 HydrophobicContact CD1-CG 3.42Å; F694-M924 VanDerWaalsContact CD1-CG 3.42Å; F694-M924 HydrophobicContact CD1-SD 3.76Å; F694-M924 HydrophobicContact CE1-CG 3.47Å; F694-M924 VanDerWaalsContact CE1-CG 3.47Å; F694-M924 HydrophobicContact CE1-SD 4.41Å; F694-V945 HydrophobicContact CB-CG1 4.47Å; F694-V945 HydrophobicContact CD2-CG1 3.58Å; F694-V945 HydrophobicContact CE2-CG1 4.02Å; F694-V945 HydrophobicContact CG-CG1 4.03Å; F694-Q949 HydrophobicContact CB-CG 4.3Å | ||
| 695 | I | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | trans | -143.6 | 160.7 | 178.2 | -166.2 | 54.7 | 0 | 0 | 0 | 109.3 | L563 M564 I567 W652 L996 T999 Y1002 | L563-I695 WeakPolarHBondContact CB-O 3.14Å; L563-I695 WeakPolarHBondContact CD2-O 3.44Å; M564-I695 HydrophobicContact CB-CG2 4.45Å; I567-I695 HydrophobicContact CD1-CG1 4.35Å; I567-I695 HydrophobicContact CD1-CG2 3.84Å; W652-I695 HydrophobicContact CZ2-CG2 4.49Å; I695-L996 WeakPolarHBondContact CD1-O 3.46Å; I695-T999 HydrophobicContact CD1-CG2 4.06Å; I695-T999 HydrophobicContact CG1-CG2 3.84Å; I695-Y1002 HydrophobicContact CB-CD1 4.32Å; I695-Y1002 HydrophobicContact CB-CD2 3.82Å; I695-Y1002 HydrophobicContact CB-CE1 4.32Å; I695-Y1002 HydrophobicContact CB-CE2 3.77Å; I695-Y1002 HydrophobicContact CB-CG 4.1Å; I695-Y1002 HydrophobicContact CD1-CD2 3.77Å; I695-Y1002 HydrophobicContact CD1-CG 3.81Å; I695-Y1002 HydrophobicContact CG1-CD1 4.16Å; I695-Y1002 HydrophobicContact CG1-CD2 3.92Å; I695-Y1002 HydrophobicContact CG1-CE2 4.38Å; I695-Y1002 HydrophobicContact CG1-CG 3.8Å; I695-Y1002 HydrophobicContact CG2-CE1 4.24Å; I695-Y1002 HydrophobicContact CG2-CE2 4.4Å | ||
| 696 | G | 96.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -147.3 | 139.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L563 H698 | L563-G696 CarbonylContact O-C 3.5Å; L563-G696 WeakPolarHBondContact O-CA 3.38Å; G696-H698 PolarHBondContact O-N 3.45Å | ||
| 697 | D | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 13.8 | -178.5 | -160.5 | 49.1 | 0 | 0 | 0 | 112.7 | H562 L563 Q565 S566 A699 N700 M701 | H562-D697 VanDerWaalsContact O-CB 3.32Å; H562-D697 WeakPolarHBondContact O-CB 3.43Å; H562-D697 PolarHBondContact O-N 2.87Å; L563-D697 PolarHBondContact O-N 3.39Å; L563-D697 VanDerWaalsContact O-N 3.13Å; Q565-D697 HydrophobicContact CG-CB 4.24Å; Q565-D697 WeakPolarHBondContact CG-OD2 3.47Å; Q565-D697 PolarHBondContact NE2-OD2 3.23Å; Q565-D697 VanDerWaalsContact NE2-OD2 3.1Å; S566-D697 WeakPolarHBondContact CB-OD1 3.37Å; S566-D697 PolarHBondContact OG-OD1 3.31Å; S566-D697 PolarHBondContact OG-OD2 3.4Å; S566-D697 VanDerWaalsContact OG-OD2 3.13Å; D697-A699 PolarHBondContact O-N 3.46Å; D697-A699 VanDerWaalsContact O-N 3.09Å; D697-N700 WeakPolarHBondContact O-CA 3.4Å; D697-N700 PolarHBondContact O-N 3.36Å; D697-N700 WeakPolarHBondContact OD1-CB 3.28Å; D697-N700 PolarHBondContact OD2-ND2 2.99Å; D697-M701 HydrophobicContact CB-CG 4.24Å; D697-M701 HydrophobicContact CB-SD 4.21Å; D697-M701 PolarHBondContact O-N 3.48Å |
| 698 | H | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57 | -30.2 | -175.8 | -56.6 | 65.7 | 0 | 0 | 0 | 113.4 | G696 N700 F702 M924 D925 W928 F997 | G696-H698 PolarHBondContact O-N 3.45Å; H698-N700 PolarHBondContact O-N 3.29Å; H698-F702 HydrophobicContact CB-CD2 4.26Å; H698-F702 AromaticContact CD2-CD2 3.95Å; H698-F702 CarbonylContact O-C 3.56Å; H698-F702 WeakPolarHBondContact O-CA 3.19Å; H698-F702 PolarHBondContact O-N 2.96Å; H698-M924 VanDerWaalsContact CE1-CB 3.49Å; H698-M924 WeakPolarHBondContact CE1-CB 3.28Å; H698-D925 IonicContact CD2-OD1 2.84Å; H698-D925 IonicContact CE1-OD1 3.82Å; H698-D925 IonicContact NE2-OD1 3.74Å; H698-D925 PolarHBondContact NE2-OD1 2.97Å; H698-W928 HydrophobicContact CB-CB 3.91Å; H698-W928 HydrophobicContact CB-CD2 3.45Å; H698-W928 VanDerWaalsContact CB-CD2 3.45Å; H698-W928 HydrophobicContact CB-CE3 3.96Å; H698-W928 HydrophobicContact CB-CG 3.4Å; H698-W928 VanDerWaalsContact CB-CG 3.4Å; H698-W928 AromaticContact CD2-CG 3.99Å; H698-W928 AromaticContact CG-CG 3.98Å; H698-W928 WeakPolarHBondContact O-CZ2 3.48Å; H698-F997 HydrophobicContact CB-CD1 3.96Å; H698-F997 HydrophobicContact CB-CE1 3.9Å; H698-F997 AromaticContact CG-CE1 3.74Å; H698-F997 AromaticContact ND1-CD1 4Å; H698-F997 AromaticContact ND1-CE1 3.55Å |
| 699 | A | 97.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 20% | 0.198 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -26.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D697 K706 W928 F997 | D697-A699 PolarHBondContact O-N 3.46Å; D697-A699 VanDerWaalsContact O-N 3.09Å; A699-K706 PolarHBondContact O-NZ 3.49Å; A699-W928 HydrophobicContact CB-CH2 3.64Å; A699-W928 HydrophobicContact CB-CZ2 4.31Å; A699-W928 HydrophobicContact CB-CZ3 4.09Å; A699-F997 HydrophobicContact CB-CB 4.39Å |
| 700 | N | 97.3 | Very high | 97.1 | Very high | 73 Ų | 73 | 26 Ų | 26 | 39% | 0.39 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -97.2 | -44 | 175.4 | 172.7 | 62.7 | 0 | 0 | 0 | 111.9 | D697 H698 P703 | D697-N700 WeakPolarHBondContact O-CA 3.4Å; D697-N700 PolarHBondContact O-N 3.36Å; D697-N700 WeakPolarHBondContact OD1-CB 3.28Å; D697-N700 PolarHBondContact OD2-ND2 2.99Å; H698-N700 PolarHBondContact O-N 3.29Å; N700-P703 VanDerWaalsContact O-CD 3.22Å; N700-P703 WeakPolarHBondContact O-CD 3.31Å |
| 701 | M | 97.7 | Very high | 97 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.7 | -41.2 | -178.4 | -66 | 179.8 | 69.5 | 0 | 0 | 113.2 | H562 Q565 F591 D697 P703 | H562-M701 HydrophobicContact CB-CE 4.09Å; H562-M701 HydrophobicContact CB-SD 3.93Å; H562-M701 VanDerWaalsContact O-SD 3.33Å; Q565-M701 PolarHBondContact NE2-SD 3.4Å; Q565-M701 VanDerWaalsContact NE2-SD 3.38Å; F591-M701 HydrophobicContact CE1-CE 3.63Å; F591-M701 HydrophobicContact CZ-CE 3.63Å; D697-M701 HydrophobicContact CB-CG 4.24Å; D697-M701 HydrophobicContact CB-SD 4.21Å; D697-M701 PolarHBondContact O-N 3.48Å; M701-P703 WeakPolarHBondContact O-CD 3.32Å |
| 702 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -127.2 | 49.3 | -172.4 | -47 | -56.3 | 0 | 0 | 0 | 113.5 | H698 H704 L705 K898 E899 V902 W928 | H698-F702 HydrophobicContact CB-CD2 4.26Å; H698-F702 AromaticContact CD2-CD2 3.95Å; H698-F702 CarbonylContact O-C 3.56Å; H698-F702 WeakPolarHBondContact O-CA 3.19Å; H698-F702 PolarHBondContact O-N 2.96Å; F702-H704 WeakPolarHBondContact CA-ND1 3.42Å; F702-H704 AromaticContact CD1-CE1 3.98Å; F702-H704 PolarHBondContact O-N 3.35Å; F702-L705 HydrophobicContact CB-CD1 3.9Å; F702-L705 HydrophobicContact CB-CG 4.13Å; F702-L705 WeakPolarHBondContact O-CB 3.27Å; F702-L705 PolarHBondContact O-N 3.27Å; F702-L705 VanDerWaalsContact O-N 3.14Å; F702-K898 HydrophobicContact CE2-CG 4.22Å; F702-K898 HydrophobicContact CZ-CB 4.38Å; F702-K898 HydrophobicContact CZ-CG 3.7Å; F702-E899 HydrophobicContact CD1-CB 4.2Å; F702-E899 HydrophobicContact CD1-CG 3.97Å; F702-E899 HydrophobicContact CE1-CB 3.75Å; F702-E899 HydrophobicContact CE1-CG 4.05Å; F702-V902 HydrophobicContact CD2-CB 4.44Å; F702-V902 HydrophobicContact CD2-CG1 4.3Å; F702-V902 HydrophobicContact CD2-CG2 4.18Å; F702-V902 HydrophobicContact CE2-CG2 3.87Å; F702-W928 PolarHBondContact O-NE1 3.1Å; F702-W928 VanDerWaalsContact O-NE1 3.08Å | ||
| 703 | P | 97.9 | Very high | 96 | Very high | 32 Ų | 32 | 23.3 Ų | 23.3 | 21% | 0.208 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -68.1 | -22.3 | -178.4 | 29.3 | -35.6 | 0 | 0 | 0 | 112.7 | N700 M701 L705 K706 V813 | N700-P703 VanDerWaalsContact O-CD 3.22Å; N700-P703 WeakPolarHBondContact O-CD 3.31Å; M701-P703 WeakPolarHBondContact O-CD 3.32Å; P703-L705 PolarHBondContact O-N 2.97Å; P703-K706 HydrophobicContact CB-CD 4.29Å; P703-K706 VanDerWaalsContact O-CB 3.27Å; P703-K706 WeakPolarHBondContact O-CB 3.48Å; P703-K706 VanDerWaalsContact O-CG 3.26Å; P703-K706 WeakPolarHBondContact O-CG 3.45Å; P703-K706 PolarHBondContact O-N 2.85Å; P703-V813 HydrophobicContact CG-CG1 3.94Å; P703-V813 HydrophobicContact CG-CG2 3.71Å |
| 704 | H | 97.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -62.9 | -16.9 | 173.7 | 65.7 | -58.1 | 0 | 0 | 0 | 112.8 | F702 I729 V813 E899 | F702-H704 WeakPolarHBondContact CA-ND1 3.42Å; F702-H704 AromaticContact CD1-CE1 3.98Å; F702-H704 PolarHBondContact O-N 3.35Å; H704-I729 HydrophobicContact CB-CD1 4.11Å; H704-I729 HydrophobicContact CB-CG1 4.15Å; H704-V813 HydrophobicContact CB-CG1 4.05Å; H704-E899 IonicContact CD2-OE1 3.75Å; H704-E899 IonicContact CE1-OE1 3.16Å; H704-E899 IonicContact NE2-OE1 2.62Å; H704-E899 PolarHBondContact NE2-OE1 3.4Å |
| 705 | L | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -89.9 | 0.3 | 174.4 | -51.3 | -175.9 | 0 | 0 | 0 | 113.6 | F702 P703 K707 N727 V902 R903 W988 R991 | F702-L705 HydrophobicContact CB-CD1 3.9Å; F702-L705 HydrophobicContact CB-CG 4.13Å; F702-L705 WeakPolarHBondContact O-CB 3.27Å; F702-L705 PolarHBondContact O-N 3.27Å; F702-L705 VanDerWaalsContact O-N 3.14Å; P703-L705 PolarHBondContact O-N 2.97Å; L705-K707 PolarHBondContact O-N 2.96Å; L705-N727 HydrophobicContact CD2-CB 3.69Å; L705-V902 HydrophobicContact CD1-CB 4.45Å; L705-V902 HydrophobicContact CD1-CG1 3.8Å; L705-R903 HydrophobicContact CD1-CB 4.22Å; L705-R903 HydrophobicContact CD2-CB 4.17Å; L705-R903 HydrophobicContact CD2-CG 4.12Å; L705-W988 WeakPolarHBondContact O-CH2 3.48Å; L705-R991 PolarHBondContact O-NH1 3.44Å; L705-R991 PolarHBondContact O-NH2 2.88Å |
| 706 | K | 95.5 | Very high | 91.3 | Very high | 90 Ų | 90 | 36.4 Ų | 36.4 | 39% | 0.391 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -63.4 | -29.7 | 176.4 | -73.1 | 177.4 | -177 | 177.6 | 0 | 112.3 | A699 P703 W928 W988 R991 I992 | A699-K706 PolarHBondContact O-NZ 3.49Å; P703-K706 HydrophobicContact CB-CD 4.29Å; P703-K706 VanDerWaalsContact O-CB 3.27Å; P703-K706 WeakPolarHBondContact O-CB 3.48Å; P703-K706 VanDerWaalsContact O-CG 3.26Å; P703-K706 WeakPolarHBondContact O-CG 3.45Å; P703-K706 PolarHBondContact O-N 2.85Å; K706-W928 HydrophobicContact CG-CH2 4.14Å; K706-W928 HydrophobicContact CG-CZ2 3.87Å; K706-W988 WeakPolarHBondContact O-CZ2 3.49Å; K706-R991 PolarHBondContact O-NH2 3.29Å; K706-I992 HydrophobicContact CG-CD1 4.18Å |
| 707 | K | 93.5 | Very high | 89.8 | Confident | 148 Ų | 148 | 39.8 Ų | 39.8 | 64% | 0.643 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -126.4 | 151 | 174.8 | -65.7 | -178.2 | -178.1 | 176.6 | 0 | 109.3 | L705 N727 | L705-K707 PolarHBondContact O-N 2.96Å; K707-N727 PolarHBondContact O-ND2 3.48Å |
| 708 | K | 96.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | trans | -138.5 | 152 | 174.2 | 72.1 | -178.4 | 178.8 | -176.7 | 0 | 109.8 | D721 V725 L726 N727 P765 W988 | K708-D721 WeakPolarHBondContact CE-O 3.47Å; K708-D721 PolarHBondContact NZ-O 3.31Å; K708-D721 IonicContact NZ-OD2 3.61Å; K708-D721 PolarHBondContact NZ-OD2 3.23Å; K708-V725 HydrophobicContact CB-CG1 3.84Å; K708-V725 HydrophobicContact CD-CG1 4.06Å; K708-V725 HydrophobicContact CG-CG1 4.43Å; K708-L726 CarbonylContact C-O 3.41Å; K708-L726 VanDerWaalsContact CA-O 3.31Å; K708-L726 WeakPolarHBondContact CA-O 3.26Å; K708-N727 WeakPolarHBondContact CB-ND2 3.32Å; K708-P765 WeakPolarHBondContact O-CD 3.48Å; K708-W988 HydrophobicContact CB-CH2 3.93Å; K708-W988 HydrophobicContact CB-CZ2 4.28Å; K708-W988 HydrophobicContact CD-CH2 3.64Å; K708-W988 HydrophobicContact CD-CZ2 4.19Å; K708-W988 HydrophobicContact CD-CZ3 3.83Å; K708-W988 HydrophobicContact CG-CH2 3.72Å; K708-W988 HydrophobicContact CG-CZ2 3.89Å; K708-W988 HydrophobicContact CG-CZ3 4.41Å | ||
| 709 | A | 96.7 | Very high | 88 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 162.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | V725 L726 L731 L735 P765 | A709-V725 WeakPolarHBondContact O-CA 3Å; A709-L726 HydrophobicContact CB-CB 4.39Å; A709-L726 PolarHBondContact N-O 3.49Å; A709-L726 PolarHBondContact O-N 2.9Å; A709-L731 HydrophobicContact CB-CD1 4.05Å; A709-L731 HydrophobicContact CB-CD2 4.23Å; A709-L731 HydrophobicContact CB-CG 4.49Å; A709-L735 HydrophobicContact CB-CD1 4.16Å; A709-L735 HydrophobicContact CB-CD2 3.9Å; A709-P765 WeakPolarHBondContact CA-O 3.34Å; A709-P765 HydrophobicContact CB-CB 4.02Å |
| 710 | V | 96 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.5 | 177.8 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | I719 I724 M764 P765 V766 I767 | V710-I719 HydrophobicContact CG2-CG2 4.35Å; V710-I724 WeakPolarHBondContact CA-O 3.48Å; V710-I724 WeakPolarHBondContact CB-O 3.32Å; V710-M764 HydrophobicContact CG1-SD 4.27Å; V710-M764 HydrophobicContact CG2-CE 3.93Å; V710-M764 HydrophobicContact CG2-CG 4.3Å; V710-M764 HydrophobicContact CG2-SD 4.11Å; V710-P765 PolarHBondContact N-O 3.4Å; V710-V766 HydrophobicContact CG2-CB 4.32Å; V710-V766 HydrophobicContact CG2-CG1 4.27Å; V710-V766 HydrophobicContact CG2-CG2 3.83Å; V710-V766 CarbonylContact O-C 3.58Å; V710-V766 WeakPolarHBondContact O-CA 3.25Å; V710-I767 PolarHBondContact O-N 3.37Å |
| 711 | I | 94.8 | Very high | 87.4 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.9 | 170 | -71.6 | 167.8 | 0 | 0 | 0 | 109.2 | F713 I724 L726 I767 M769 A773 V776 I777 | I711-F713 HydrophobicContact CG2-CB 4.49Å; I711-F713 PolarHBondContact O-N 2.89Å; I711-F713 VanDerWaalsContact O-N 3.17Å; I711-I724 HydrophobicContact CB-CB 4.15Å; I711-I724 HydrophobicContact CB-CD1 4.39Å; I711-I724 HydrophobicContact CB-CG2 3.84Å; I711-I724 HydrophobicContact CD1-CG2 3.87Å; I711-I724 HydrophobicContact CG1-CG2 4.15Å; I711-I724 HydrophobicContact CG2-CD1 4.36Å; I711-I724 PolarHBondContact N-O 2.94Å; I711-L726 HydrophobicContact CD1-CD1 3.97Å; I711-L726 HydrophobicContact CG1-CD1 3.85Å; I711-I767 WeakPolarHBondContact CA-O 3.26Å; I711-I767 HydrophobicContact CG1-CB 4.04Å; I711-I767 HydrophobicContact CG1-CD1 4.4Å; I711-I767 HydrophobicContact CG1-CG2 4.39Å; I711-M769 HydrophobicContact CG2-SD 4.31Å; I711-A773 HydrophobicContact CD1-CB 4.16Å; I711-A773 HydrophobicContact CG1-CB 4.27Å; I711-A773 HydrophobicContact CG2-CB 3.75Å; I711-V776 HydrophobicContact CD1-CB 4.15Å; I711-V776 HydrophobicContact CD1-CG1 3.82Å; I711-I777 HydrophobicContact CG2-CD1 4.18Å |
| 712 | D | 90.6 | Very high | 87.3 | Confident | 18 Ų | 18 | 47 Ų | 47 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | trans | -82.2 | 84.1 | 173 | -179.8 | 11.4 | 0 | 0 | 0 | 110.8 | S715 V766 I767 | D712-S715 PolarHBondContact OD1-N 3.02Å; D712-S715 VanDerWaalsContact OD1-N 3.14Å; D712-V766 HydrophobicContact CB-CG1 3.75Å; D712-I767 PolarHBondContact N-O 3.32Å | ||
| 713 | F | 81.8 | Confident | 87.1 | Confident | 59 Ų | 59 | 47.7 Ų | 47.7 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | trans | -78.3 | -27.4 | -173.1 | 83.4 | -86.9 | 0 | 0 | 0 | 114.7 | I711 R723 I724 M769 I777 E829 | I711-F713 HydrophobicContact CG2-CB 4.49Å; I711-F713 PolarHBondContact O-N 2.89Å; I711-F713 VanDerWaalsContact O-N 3.17Å; F713-R723 HydrophobicContact CE1-CB 4.22Å; F713-R723 HydrophobicContact CE1-CG 4.31Å; F713-I724 HydrophobicContact CB-CD1 3.98Å; F713-I724 HydrophobicContact CD1-CD1 4.27Å; F713-I724 HydrophobicContact CG-CD1 4.32Å; F713-M769 HydrophobicContact CB-SD 4.44Å; F713-I777 HydrophobicContact CB-CD1 4.28Å; F713-E829 HydrophobicContact CE1-CB 4.36Å; F713-E829 HydrophobicContact CZ-CB 3.78Å; F713-E829 HydrophobicContact CZ-CG 4.11Å | ||
| 714 | K | 73.2 | Confident | 87.1 | Confident | 72 Ų | 72 | 46.7 Ų | 46.7 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -87.1 | -21.8 | -179.3 | -72.3 | -162.8 | -178 | 179.6 | 0 | 112.6 | N716 | K714-N716 HydrophobicContact CB-CB 4.5Å; K714-N716 PolarHBondContact O-N 3.04Å; K714-N716 PolarHBondContact O-ND2 3.29Å; K714-N716 PolarHBondContact O-OD1 3.41Å |
| 715 | S | 63.1 | Low | 87.1 | Confident | 72 Ų | 72 | 46.5 Ų | 46.5 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | trans | 51.4 | 14.2 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 115.3 | D712 | D712-S715 PolarHBondContact OD1-N 3.02Å; D712-S715 VanDerWaalsContact OD1-N 3.14Å | ||
| 716 | N | 58.8 | Low | 87.1 | Confident | 143 Ų | 143 | 46.5 Ų | 46.5 | 77% | 0.765 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -102.4 | 24.5 | -169.8 | -68.9 | -17 | 0 | 0 | 0 | 112.6 | K714 | K714-N716 HydrophobicContact CB-CB 4.5Å; K714-N716 PolarHBondContact O-N 3.04Å; K714-N716 PolarHBondContact O-ND2 3.29Å; K714-N716 PolarHBondContact O-OD1 3.41Å |
| 717 | G | 64.5 | Low | 87.2 | Confident | 71 Ų | 71 | 42.2 Ų | 42.2 | 73% | 0.732 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 90.9 | -5.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 718 | H | 73.7 | Confident | 87.4 | Confident | 114 Ų | 114 | 35.5 Ų | 35.5 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | trans | -112.3 | 107.8 | 173.3 | -109.5 | 105.6 | 0 | 0 | 0 | 111.1 | Y720 | H718-Y720 HydrophobicContact CB-CE2 4.46Š| ||
| 719 | I | 84.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | trans | -87 | 115.4 | 175.2 | -61 | 172.7 | 0 | 0 | 0 | 108.6 | V710 V744 M764 V766 | V710-I719 HydrophobicContact CG2-CG2 4.35Å; I719-V744 HydrophobicContact CD1-CG2 3.7Å; I719-M764 HydrophobicContact CG2-CE 3.58Å; I719-V766 HydrophobicContact CD1-CG1 4.31Å; I719-V766 HydrophobicContact CD1-CG2 4.34Å; I719-V766 HydrophobicContact CG2-CG1 4.06Å; I719-V766 HydrophobicContact CG2-CG2 3.71Å | ||
| 720 | Y | 90.4 | Very high | 87.2 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 26% | 0.255 | 24% | 0.238 | S | C | . | . | trans | -88.5 | 147.6 | 174.8 | -58.9 | -80.4 | 0 | 0 | 0 | 111.7 | H718 R723 | H718-Y720 HydrophobicContact CB-CE2 4.46Å; Y720-R723 HydrophobicContact CD2-CG 4.28Å; Y720-R723 HydrophobicContact CG-CG 4.02Å | ||
| 721 | D | 92.2 | Very high | 87.2 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -99.3 | -0.4 | -174.8 | 80.4 | -49 | 0 | 0 | 0 | 114.5 | K708 M764 R984 | K708-D721 WeakPolarHBondContact CE-O 3.47Å; K708-D721 PolarHBondContact NZ-O 3.31Å; K708-D721 IonicContact NZ-OD2 3.61Å; K708-D721 PolarHBondContact NZ-OD2 3.23Å; D721-M764 HydrophobicContact CB-CE 4.24Å; D721-M764 HydrophobicContact CB-SD 3.49Å; D721-M764 WeakPolarHBondContact CB-SD 3.33Å; D721-R984 IonicContact OD1-CZ 2.84Å; D721-R984 IonicContact OD1-NE 3.16Å; D721-R984 PolarHBondContact OD1-NE 3.1Å; D721-R984 IonicContact OD1-NH2 3.43Å; D721-R984 IonicContact OD2-CZ 3.9Å; D721-R984 VanDerWaalsContact OD2-CZ 3.24Å; D721-R984 IonicContact OD2-NE 2.93Å; D721-R984 PolarHBondContact OD2-NE 3.44Å; D721-R984 IonicContact OD2-NH2 3.64Å; D721-R984 PolarHBondContact OD2-NH2 3.31Å |
| 722 | N | 96 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -152.1 | 16.8 | -167.1 | 62.4 | -7.6 | 0 | 0 | 0 | 115.3 | R822 Q906 L907 A908 D909 | N722-R822 PolarHBondContact ND2-NH2 3.03Å; N722-Q906 WeakPolarHBondContact CB-O 3.28Å; N722-L907 PolarHBondContact ND2-O 3.5Å; N722-L907 WeakPolarHBondContact O-CA 3.41Å; N722-L907 WeakPolarHBondContact O-CD2 3.25Å; N722-A908 PolarHBondContact ND2-O 2.95Å; N722-D909 PolarHBondContact ND2-OD1 3.33Å |
| 723 | R | 95 | Very high | 87.5 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -88.1 | -53.3 | 178.1 | -84.6 | 41.6 | 174.4 | -174 | 9.9 | 111.4 | F713 Y720 T821 R822 E829 A831 D909 | F713-R723 HydrophobicContact CE1-CB 4.22Å; F713-R723 HydrophobicContact CE1-CG 4.31Å; Y720-R723 HydrophobicContact CD2-CG 4.28Å; Y720-R723 HydrophobicContact CG-CG 4.02Å; R723-T821 CarbonylContact O-C 3.44Å; R723-T821 VanDerWaalsContact O-CA 3.27Å; R723-T821 WeakPolarHBondContact O-CA 3.2Å; R723-R822 VanDerWaalsContact CZ-CZ 3.45Å; R723-R822 VanDerWaalsContact CZ-NH1 3.26Å; R723-R822 PolarHBondContact O-N 3.46Å; R723-E829 WeakPolarHBondContact CB-OE2 3.2Å; R723-E829 VanDerWaalsContact CG-OE2 3.24Å; R723-E829 WeakPolarHBondContact CG-OE2 3.48Å; R723-E829 PolarHBondContact NE-O 3.27Å; R723-E829 PolarHBondContact NH2-O 3.45Å; R723-A831 PolarHBondContact NH2-O 2.94Å; R723-D909 IonicContact NH1-OD1 3.86Å; R723-D909 PolarHBondContact NH1-OD1 3.36Å; R723-D909 IonicContact NH1-OD2 3.02Å |
| 724 | I | 96.5 | Very high | 88.2 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 111.3 | 173.3 | -59.1 | 174.8 | 0 | 0 | 0 | 106.9 | V710 I711 F713 L726 I777 V819 T821 | V710-I724 WeakPolarHBondContact CA-O 3.48Å; V710-I724 WeakPolarHBondContact CB-O 3.32Å; I711-I724 HydrophobicContact CB-CB 4.15Å; I711-I724 HydrophobicContact CB-CD1 4.39Å; I711-I724 HydrophobicContact CB-CG2 3.84Å; I711-I724 HydrophobicContact CD1-CG2 3.87Å; I711-I724 HydrophobicContact CG1-CG2 4.15Å; I711-I724 HydrophobicContact CG2-CD1 4.36Å; I711-I724 PolarHBondContact N-O 2.94Å; F713-I724 HydrophobicContact CB-CD1 3.98Å; F713-I724 HydrophobicContact CD1-CD1 4.27Å; F713-I724 HydrophobicContact CG-CD1 4.32Å; I724-L726 HydrophobicContact CG2-CD1 4.46Å; I724-I777 HydrophobicContact CD1-CD1 3.93Å; I724-I777 HydrophobicContact CD1-CG1 4.03Å; I724-V819 HydrophobicContact CG2-CG1 4.25Å; I724-T821 HydrophobicContact CB-CG2 4.3Å; I724-T821 HydrophobicContact CG1-CG2 3.96Å; I724-T821 HydrophobicContact CG2-CG2 3.98Å |
| 725 | V | 98 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.8 | -172.8 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | K708 A709 V819 T820 L907 | K708-V725 HydrophobicContact CB-CG1 3.84Å; K708-V725 HydrophobicContact CD-CG1 4.06Å; K708-V725 HydrophobicContact CG-CG1 4.43Å; A709-V725 WeakPolarHBondContact O-CA 3Å; V725-V819 WeakPolarHBondContact O-CA 3.08Å; V725-T820 PolarHBondContact N-O 3Å; V725-T820 PolarHBondContact O-N 3.34Å; V725-L907 HydrophobicContact CG2-CD2 4Å |
| 726 | L | 98.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.2 | 173.4 | -62.1 | 91.5 | 0 | 0 | 0 | 109.7 | K708 A709 I711 I724 L731 F734 I767 I817 I818 V819 | K708-L726 CarbonylContact C-O 3.41Å; K708-L726 VanDerWaalsContact CA-O 3.31Å; K708-L726 WeakPolarHBondContact CA-O 3.26Å; A709-L726 HydrophobicContact CB-CB 4.39Å; A709-L726 PolarHBondContact N-O 3.49Å; A709-L726 PolarHBondContact O-N 2.9Å; I711-L726 HydrophobicContact CD1-CD1 3.97Å; I711-L726 HydrophobicContact CG1-CD1 3.85Å; I724-L726 HydrophobicContact CG2-CD1 4.46Å; L726-L731 HydrophobicContact CB-CD1 4.11Å; L726-F734 HydrophobicContact CD2-CE1 4.26Å; L726-I767 HydrophobicContact CD1-CD1 4.34Å; L726-I767 HydrophobicContact CD2-CD1 4.3Å; L726-I817 HydrophobicContact CB-CG2 4.29Å; L726-I817 HydrophobicContact CD2-CG2 4.22Å; L726-I818 WeakPolarHBondContact CA-O 3.43Å; L726-V819 HydrophobicContact CD2-CG2 3.81Å; L726-V819 HydrophobicContact CG-CG2 3.99Å |
| 727 | N | 98.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.7 | 174.5 | -59.3 | 105 | 0 | 0 | 0 | 109.5 | L705 K707 K708 I817 I818 Q906 | L705-N727 HydrophobicContact CD2-CB 3.69Å; K707-N727 PolarHBondContact O-ND2 3.48Å; K708-N727 WeakPolarHBondContact CB-ND2 3.32Å; N727-I817 CarbonylContact O-C 3.46Å; N727-I817 WeakPolarHBondContact O-CA 3.47Å; N727-I818 PolarHBondContact N-O 3.18Å; N727-I818 PolarHBondContact O-N 3.25Å; N727-Q906 PolarHBondContact ND2-OE1 3.17Å; N727-Q906 PolarHBondContact OD1-NE2 3.43Å |
| 728 | G | 96.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | trans | 170.1 | 156 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L731 | G728-L731 WeakPolarHBondContact O-CB 3.44Å; G728-L731 PolarHBondContact O-N 3.34Å | ||
| 729 | I | 93.8 | Very high | 94.9 | Very high | 93 Ų | 93 | 41 Ų | 41 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -44.4 | 177.4 | -69.2 | -68.9 | 0 | 0 | 0 | 110.7 | H704 L731 V813 | H704-I729 HydrophobicContact CB-CD1 4.11Å; H704-I729 HydrophobicContact CB-CG1 4.15Å; I729-L731 PolarHBondContact O-N 3.32Å; I729-V813 HydrophobicContact CD1-CG1 3.82Å; I729-V813 HydrophobicContact CG1-CG1 3.84Å |
| 730 | D | 94.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 17.3 | 178.6 | -62.6 | -35.9 | 0 | 0 | 0 | 113.3 | K732 A733 F734 F792 | D730-K732 PolarHBondContact O-N 2.9Å; D730-A733 PolarHBondContact O-N 3.33Å; D730-A733 VanDerWaalsContact O-N 3.08Å; D730-F734 PolarHBondContact O-N 3.39Å; D730-F792 HydrophobicContact CB-CD1 4.02Å; D730-F792 HydrophobicContact CB-CE1 3.92Å |
| 731 | L | 96 | Very high | 95.4 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.6 | -39.8 | -176.7 | -179.6 | 65.3 | 0 | 0 | 0 | 112 | A709 L726 G728 I729 F734 L735 I817 | A709-L731 HydrophobicContact CB-CD1 4.05Å; A709-L731 HydrophobicContact CB-CD2 4.23Å; A709-L731 HydrophobicContact CB-CG 4.49Å; L726-L731 HydrophobicContact CB-CD1 4.11Å; G728-L731 WeakPolarHBondContact O-CB 3.44Å; G728-L731 PolarHBondContact O-N 3.34Å; I729-L731 PolarHBondContact O-N 3.32Å; L731-F734 HydrophobicContact CD1-CD1 4.47Å; L731-F734 PolarHBondContact O-N 3.04Å; L731-L735 HydrophobicContact CD1-CD1 4.42Å; L731-L735 HydrophobicContact CD1-CG 4.38Å; L731-L735 HydrophobicContact CG-CD1 4.05Å; L731-L735 HydrophobicContact CG-CG 4.45Å; L731-L735 WeakPolarHBondContact O-CB 3.3Å; L731-L735 WeakPolarHBondContact O-CG 3.1Å; L731-L735 PolarHBondContact O-N 2.87Å; L731-I817 HydrophobicContact CD1-CG2 4.25Å |
| 732 | K | 94.8 | Very high | 95.4 | Very high | 140 Ų | 140 | 44.4 Ų | 44.4 | 61% | 0.609 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.9 | -48 | 176.9 | -177.2 | -179.4 | 175 | -176.9 | 0 | 111.6 | D730 F734 L735 D736 | D730-K732 PolarHBondContact O-N 2.9Å; K732-F734 VanDerWaalsContact C-N 3.28Å; K732-F734 PolarHBondContact O-N 2.97Å; K732-L735 PolarHBondContact O-N 3.33Å; K732-L735 VanDerWaalsContact O-N 3.16Å; K732-D736 WeakPolarHBondContact CE-OD2 3.43Å; K732-D736 VanDerWaalsContact O-CG 3.25Å; K732-D736 PolarHBondContact O-N 2.88Å |
| 733 | A | 96.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 49 Ų | 49 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | D730 D736 S737 F792 | D730-A733 PolarHBondContact O-N 3.33Å; D730-A733 VanDerWaalsContact O-N 3.08Å; A733-D736 PolarHBondContact O-N 3.48Å; A733-S737 PolarHBondContact O-N 3.2Å; A733-S737 VanDerWaalsContact O-N 3.14Å; A733-F792 HydrophobicContact CB-CE1 3.86Å; A733-F792 HydrophobicContact CB-CZ 3.82Å |
| 734 | F | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 171.9 | 173 | -113.4 | 0 | 0 | 0 | 111.8 | L726 D730 L731 K732 D736 S737 L738 I767 I772 I789 F792 I794 I817 | L726-F734 HydrophobicContact CD2-CE1 4.26Å; D730-F734 PolarHBondContact O-N 3.39Å; L731-F734 HydrophobicContact CD1-CD1 4.47Å; L731-F734 PolarHBondContact O-N 3.04Å; K732-F734 VanDerWaalsContact C-N 3.28Å; K732-F734 PolarHBondContact O-N 2.97Å; F734-D736 VanDerWaalsContact C-N 3.33Å; F734-D736 PolarHBondContact O-N 3.09Å; F734-S737 WeakPolarHBondContact O-CB 3.47Å; F734-S737 PolarHBondContact O-N 3.43Å; F734-S737 PolarHBondContact O-OG 3.03Å; F734-L738 HydrophobicContact CD1-CD1 4.49Å; F734-L738 HydrophobicContact CE1-CD1 3.98Å; F734-L738 HydrophobicContact CE2-CD2 4.27Å; F734-L738 HydrophobicContact CZ-CD1 4.05Å; F734-L738 HydrophobicContact CZ-CD2 4.34Å; F734-L738 WeakPolarHBondContact O-CG 3.43Å; F734-I767 HydrophobicContact CE1-CD1 3.97Å; F734-I772 HydrophobicContact CZ-CG2 4.1Å; F734-I789 HydrophobicContact CE2-CB 4.27Å; F734-I789 HydrophobicContact CE2-CG2 4.06Å; F734-F792 HydrophobicContact CB-CD1 4.17Å; F734-F792 HydrophobicContact CB-CD2 4.1Å; F734-F792 HydrophobicContact CB-CE1 4.37Å; F734-F792 HydrophobicContact CB-CE2 4.3Å; F734-F792 HydrophobicContact CB-CG 4.03Å; F734-F792 HydrophobicContact CB-CZ 4.43Å; F734-F792 HydrophobicContact CD2-CB 4.09Å; F734-F792 AromaticContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CE2 4.43Å; F734-F792 HydrophobicContact CD2-CG 4.01Å; F734-F792 HydrophobicContact CG-CD2 4.42Å; F734-F792 HydrophobicContact CG-CG 4.46Å; F734-I794 HydrophobicContact CD2-CD1 4.16Å; F734-I794 HydrophobicContact CE1-CD1 4.41Å; F734-I794 HydrophobicContact CE2-CD1 3.93Å; F734-I794 HydrophobicContact CZ-CD1 4.06Å; F734-I817 HydrophobicContact CB-CD1 3.24Å; F734-I817 HydrophobicContact CD1-CD1 3.84Å; F734-I817 HydrophobicContact CD2-CD1 4.23Å; F734-I817 HydrophobicContact CG-CD1 3.51Å |
| 735 | L | 96.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 177.4 | -67.9 | 166.7 | 0 | 0 | 0 | 112.4 | A709 L731 K732 S737 L738 V741 P765 I767 | A709-L735 HydrophobicContact CB-CD1 4.16Å; A709-L735 HydrophobicContact CB-CD2 3.9Å; L731-L735 HydrophobicContact CD1-CD1 4.42Å; L731-L735 HydrophobicContact CD1-CG 4.38Å; L731-L735 HydrophobicContact CG-CD1 4.05Å; L731-L735 HydrophobicContact CG-CG 4.45Å; L731-L735 WeakPolarHBondContact O-CB 3.3Å; L731-L735 WeakPolarHBondContact O-CG 3.1Å; L731-L735 PolarHBondContact O-N 2.87Å; K732-L735 PolarHBondContact O-N 3.33Å; K732-L735 VanDerWaalsContact O-N 3.16Å; L735-S737 PolarHBondContact O-N 3.34Å; L735-L738 WeakPolarHBondContact O-CB 3.33Å; L735-L738 PolarHBondContact O-N 3.33Å; L735-V741 HydrophobicContact CB-CG2 4.41Å; L735-V741 HydrophobicContact CD2-CG1 4.12Å; L735-V741 HydrophobicContact CD2-CG2 3.92Å; L735-P765 HydrophobicContact CD1-CB 3.54Å; L735-P765 HydrophobicContact CD1-CG 3.66Å; L735-P765 HydrophobicContact CD2-CB 4.07Å; L735-P765 HydrophobicContact CG-CB 4.43Å; L735-I767 HydrophobicContact CD2-CD1 4.05Å; L735-I767 HydrophobicContact CD2-CG1 3.89Å |
| 736 | D | 95.8 | Very high | 92.7 | Very high | 119 Ų | 119 | 57.8 Ų | 57.8 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.6 | -20.9 | 176.7 | -66.3 | -19.2 | 0 | 0 | 0 | 111.9 | K732 A733 F734 L738 | K732-D736 WeakPolarHBondContact CE-OD2 3.43Å; K732-D736 VanDerWaalsContact O-CG 3.25Å; K732-D736 PolarHBondContact O-N 2.88Å; A733-D736 PolarHBondContact O-N 3.48Å; F734-D736 VanDerWaalsContact C-N 3.33Å; F734-D736 PolarHBondContact O-N 3.09Å; D736-L738 VanDerWaalsContact C-N 3.3Å |
| 737 | S | 96.2 | Very high | 91 | Very high | 44 Ų | 44 | 66 Ų | 66 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -9 | 173.1 | 84.7 | 0 | 0 | 0 | 0 | 113.9 | A733 F734 L735 N790 | A733-S737 PolarHBondContact O-N 3.2Å; A733-S737 VanDerWaalsContact O-N 3.14Å; F734-S737 WeakPolarHBondContact O-CB 3.47Å; F734-S737 PolarHBondContact O-N 3.43Å; F734-S737 PolarHBondContact O-OG 3.03Å; L735-S737 PolarHBondContact O-N 3.34Å; S737-N790 PolarHBondContact O-ND2 3.22Å; S737-N790 PolarHBondContact OG-ND2 3.01Å |
| 738 | L | 95.4 | Very high | 89.1 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | trans | -100.9 | 129.2 | -179.2 | -56.6 | -179.6 | 0 | 0 | 0 | 109.9 | F734 L735 D736 D740 V741 I767 I772 | F734-L738 HydrophobicContact CD1-CD1 4.49Å; F734-L738 HydrophobicContact CE1-CD1 3.98Å; F734-L738 HydrophobicContact CE2-CD2 4.27Å; F734-L738 HydrophobicContact CZ-CD1 4.05Å; F734-L738 HydrophobicContact CZ-CD2 4.34Å; F734-L738 WeakPolarHBondContact O-CG 3.43Å; L735-L738 WeakPolarHBondContact O-CB 3.33Å; L735-L738 PolarHBondContact O-N 3.33Å; D736-L738 VanDerWaalsContact C-N 3.3Å; L738-D740 VanDerWaalsContact C-N 3.31Å; L738-D740 PolarHBondContact O-N 3.44Å; L738-V741 HydrophobicContact CB-CG2 3.6Å; L738-V741 HydrophobicContact CD1-CG2 3.87Å; L738-V741 HydrophobicContact CG-CG2 4.31Å; L738-I767 HydrophobicContact CD1-CD1 3.84Å; L738-I767 HydrophobicContact CD1-CG1 3.93Å; L738-I767 HydrophobicContact CD1-CG2 4.19Å; L738-I772 HydrophobicContact CD2-CD1 3.27Å; L738-I772 HydrophobicContact CD2-CG1 4.46Å; L738-I772 HydrophobicContact CD2-CG2 4.18Å | ||
| 739 | P | 89.6 | Confident | 87.2 | Confident | 128 Ų | 128 | 69 Ų | 69 | 83% | 0.831 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.6 | -171.3 | 29.2 | -35.4 | 0 | 0 | 0 | 114.6 | ||
| 740 | D | 92.3 | Very high | 85.3 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 32% | 0.316 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 17.2 | -161 | 58.7 | -16.7 | 0 | 0 | 0 | 114.1 | L738 K742 P768 N770 | L738-D740 VanDerWaalsContact C-N 3.31Å; L738-D740 PolarHBondContact O-N 3.44Å; D740-K742 PolarHBondContact O-N 3.16Å; D740-P768 HydrophobicContact CB-CG 4.02Å; D740-P768 VanDerWaalsContact CG-CG 3.45Å; D740-P768 WeakPolarHBondContact O-CD 3.49Å; D740-P768 WeakPolarHBondContact OD2-CG 3.36Å; D740-N770 PolarHBondContact OD1-ND2 3.38Å; D740-N770 PolarHBondContact OD2-ND2 2.89Å |
| 741 | V | 93.4 | Very high | 82.7 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 22% | 0.218 | 37% | 0.373 | C | S | . | . | trans | -63.3 | 126.4 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L735 L738 I743 P765 I767 | L735-V741 HydrophobicContact CB-CG2 4.41Å; L735-V741 HydrophobicContact CD2-CG1 4.12Å; L735-V741 HydrophobicContact CD2-CG2 3.92Å; L738-V741 HydrophobicContact CB-CG2 3.6Å; L738-V741 HydrophobicContact CD1-CG2 3.87Å; L738-V741 HydrophobicContact CG-CG2 4.31Å; V741-I743 HydrophobicContact CG1-CD1 4.14Å; V741-P765 HydrophobicContact CG1-CB 4.06Å; V741-I767 HydrophobicContact CG2-CG1 4.4Å | ||
| 742 | K | 91.4 | Very high | 79.9 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138.2 | 174.6 | -63.4 | 177.2 | -175.2 | 171.8 | 0 | 109.9 | D740 V766 | D740-K742 PolarHBondContact O-N 3.16Å; K742-V766 HydrophobicContact CB-CB 4.35Å; K742-V766 PolarHBondContact N-O 3Å; K742-V766 PolarHBondContact O-N 2.66Å |
| 743 | I | 90.3 | Very high | 77 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.7 | 174 | -55.7 | -57.8 | 0 | 0 | 0 | 109.5 | V741 N763 P765 | V741-I743 HydrophobicContact CG1-CD1 4.14Å; I743-N763 HydrophobicContact CG2-CB 3.66Å; I743-P765 HydrophobicContact CD1-CB 4.1Å; I743-P765 HydrophobicContact CD1-CG 4.24Å |
| 744 | V | 86.4 | Confident | 74.3 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 20% | 0.2 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.2 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | I719 M764 V766 | I719-V744 HydrophobicContact CD1-CG2 3.7Å; V744-M764 PolarHBondContact N-O 3.39Å; V744-M764 PolarHBondContact O-N 2.94Å; V744-V766 HydrophobicContact CB-CG2 4.38Å; V744-V766 HydrophobicContact CG2-CG2 3.64Å |
| 745 | K | 80.6 | Confident | 71.3 | Confident | 158 Ų | 158 | 80.8 Ų | 80.8 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 125.8 | 171.8 | -66.6 | -174.6 | 179.4 | -176.5 | 0 | 110 | A761 | K745-A761 HydrophobicContact CD-CB 4.41Å |
| 746 | M | 71.6 | Confident | 68.5 | Low | 17 Ų | 17 | 87.3 Ų | 87.3 | 8% | 0.084 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.1 | 173.2 | -60.8 | -173.1 | 78.5 | 0 | 0 | 110 | L762 M764 | M746-L762 HydrophobicContact CB-CB 4.36Å; M746-L762 HydrophobicContact CB-CD2 4.5Å; M746-L762 HydrophobicContact CG-CD2 4.43Å; M746-L762 PolarHBondContact N-O 3.24Å; M746-L762 HydrophobicContact SD-CD2 3.69Å; M746-M764 HydrophobicContact CG-CB 4.4Å; M746-M764 HydrophobicContact SD-CB 4.38Å |
| 747 | K | 64.1 | Low | 65.9 | Low | 172 Ų | 172 | 84.3 Ų | 84.3 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 125.4 | 173.9 | -72.3 | -177 | 177.2 | 179 | 0 | 109.7 | ||
| 748 | C | 58.2 | Low | 62.9 | Low | 37 Ų | 37 | 86.7 Ų | 86.7 | 25% | 0.25 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 147.1 | 171.7 | -71.9 | 0 | 0 | 0 | 0 | 110.7 | D750 | C748-D750 VanDerWaalsContact C-N 3.35Å; C748-D750 PolarHBondContact O-N 2.87Å |
| 749 | P | 55.8 | Low | 60.1 | Low | 33 Ų | 33 | 94 Ų | 94 | 21% | 0.214 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -39.2 | 178.1 | -11.1 | 11.3 | 0 | 0 | 0 | 116.1 | G751 K982 K986 | P749-G751 PolarHBondContact O-N 3.46Å; P749-K982 HydrophobicContact CB-CD 4.39Å; P749-K982 HydrophobicContact CB-CG 4.39Å; P749-K982 HydrophobicContact CG-CD 4.24Å; P749-K982 VanDerWaalsContact CG-CE 3.42Å; P749-K982 HydrophobicContact CG-CG 3.77Å; P749-K986 HydrophobicContact CG-CB 3.98Å; P749-K986 HydrophobicContact CG-CD 3.9Å; P749-K986 HydrophobicContact CG-CG 4.07Å |
| 750 | D | 54 | Low | 58 | Low | 110 Ų | 110 | 91.8 Ų | 91.8 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 20.2 | -160.7 | -53.3 | -41.2 | 0 | 0 | 0 | 113.1 | C748 G752 | C748-D750 VanDerWaalsContact C-N 3.35Å; C748-D750 PolarHBondContact O-N 2.87Å; D750-G752 VanDerWaalsContact C-N 3.34Å; D750-G752 PolarHBondContact O-N 2.97Å; D750-G752 VanDerWaalsContact O-N 3.15Å |
| 751 | G | 41.5 | Very low | 56.2 | Low | 54 Ų | 54 | 91.1 Ų | 91.1 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | trans | -79.7 | 85.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P749 | P749-G751 PolarHBondContact O-N 3.46Š| ||
| 752 | G | 35.5 | Very low | 55.2 | Low | 56 Ų | 56 | 90.7 Ų | 90.7 | 58% | 0.577 | 52% | 0.52 | S | S | * | . | trans | -54.8 | 146 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | D750 N754 | D750-G752 VanDerWaalsContact C-N 3.34Å; D750-G752 PolarHBondContact O-N 2.97Å; D750-G752 VanDerWaalsContact O-N 3.15Å; G752-N754 PolarHBondContact O-N 3.24Å | ||
| 753 | D | 35.2 | Very low | 54.9 | Low | 174 Ų | 174 | 89 Ų | 89 | 93% | 0.93 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -63 | 59.8 | -178.8 | -70.8 | -46.8 | 0 | 0 | 0 | 112.6 | P755 | D753-P755 WeakPolarHBondContact O-CD 3.45Š|
| 754 | N | 39.2 | Very low | 54.9 | Low | 115 Ų | 115 | 84.9 Ų | 84.9 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | trans | -98.9 | 110.5 | 173.3 | -135.2 | 2.6 | 0 | 0 | 0 | 107.6 | G752 D756 S757 | G752-N754 PolarHBondContact O-N 3.24Å; N754-D756 PolarHBondContact O-N 3.18Å; N754-D756 VanDerWaalsContact O-N 3.07Å; N754-S757 WeakPolarHBondContact O-CB 3.09Å; N754-S757 PolarHBondContact O-N 3.19Å; N754-S757 VanDerWaalsContact O-N 3.09Å; N754-S757 PolarHBondContact O-OG 3Å | ||
| 755 | P | 35.4 | Very low | 55.3 | Low | 109 Ų | 109 | 84.3 Ų | 84.3 | 71% | 0.708 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -58.5 | -22.3 | -174 | -24.1 | 33.6 | 0 | 0 | 0 | 114.5 | D753 S757 | D753-P755 WeakPolarHBondContact O-CD 3.45Å; P755-S757 VanDerWaalsContact C-N 3.29Å; P755-S757 PolarHBondContact O-N 3.21Å |
| 756 | D | 37.1 | Very low | 56 | Low | 151 Ų | 151 | 76.9 Ų | 76.9 | 81% | 0.807 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -78.3 | -6.4 | 179.4 | -75.2 | -24.3 | 0 | 0 | 0 | 114.4 | N754 S758 | N754-D756 PolarHBondContact O-N 3.18Å; N754-D756 VanDerWaalsContact O-N 3.07Å; D756-S758 PolarHBondContact O-N 3.06Å |
| 757 | S | 40.8 | Very low | 57.1 | Low | 56 Ų | 56 | 76.1 Ų | 76.1 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -78.3 | 2.9 | 177.6 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | N754 P755 N759 T760 | N754-S757 WeakPolarHBondContact O-CB 3.09Å; N754-S757 PolarHBondContact O-N 3.19Å; N754-S757 VanDerWaalsContact O-N 3.09Å; N754-S757 PolarHBondContact O-OG 3Å; P755-S757 VanDerWaalsContact C-N 3.29Å; P755-S757 PolarHBondContact O-N 3.21Å; S757-N759 PolarHBondContact O-N 3.46Å; S757-T760 PolarHBondContact O-N 3.44Å; S757-T760 PolarHBondContact O-OG1 3.01Å |
| 758 | S | 33.9 | Very low | 58.5 | Low | 95 Ų | 95 | 68.9 Ų | 68.9 | 66% | 0.664 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -56.2 | -22 | -174 | 66.9 | 0 | 0 | 0 | 0 | 115 | D756 | D756-S758 PolarHBondContact O-N 3.06Š|
| 759 | N | 36.3 | Very low | 60.1 | Low | 163 Ų | 163 | 70.1 Ų | 70.1 | 87% | 0.872 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -81.4 | -3.3 | 175.4 | -94 | -11.6 | 0 | 0 | 0 | 115.4 | S757 | S757-N759 PolarHBondContact O-N 3.46Š|
| 760 | T | 45.9 | Very low | 61.7 | Low | 82 Ų | 82 | 69.9 Ų | 69.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -108.4 | 9.4 | -179.2 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | S757 L762 | S757-T760 PolarHBondContact O-N 3.44Å; S757-T760 PolarHBondContact O-OG1 3.01Å; T760-L762 PolarHBondContact O-N 3.03Å; T760-L762 VanDerWaalsContact O-N 3.17Å |
| 761 | A | 53 | Low | 63.6 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | trans | -63.8 | 117.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K745 N763 | K745-A761 HydrophobicContact CD-CB 4.41Å; A761-N763 PolarHBondContact O-N 3.48Å; A761-N763 PolarHBondContact O-OD1 3.01Å | ||
| 762 | L | 73.2 | Confident | 66.1 | Low | 27 Ų | 27 | 69.2 Ų | 69.2 | 14% | 0.141 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 120.2 | -177.2 | -151.6 | 135.8 | 0 | 0 | 0 | 109.1 | M746 T760 W988 K989 | M746-L762 HydrophobicContact CB-CB 4.36Å; M746-L762 HydrophobicContact CB-CD2 4.5Å; M746-L762 HydrophobicContact CG-CD2 4.43Å; M746-L762 PolarHBondContact N-O 3.24Å; M746-L762 HydrophobicContact SD-CD2 3.69Å; T760-L762 PolarHBondContact O-N 3.03Å; T760-L762 VanDerWaalsContact O-N 3.17Å; L762-W988 HydrophobicContact CD2-CG 4.2Å; L762-K989 HydrophobicContact CD1-CB 3.52Å; L762-K989 HydrophobicContact CD1-CG 4.01Å |
| 763 | N | 85.8 | Confident | 68.9 | Low | 86 Ų | 86 | 66.5 Ų | 66.5 | 46% | 0.46 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.2 | -170.7 | -70.4 | -20.5 | 0 | 0 | 0 | 110.9 | I743 A761 | I743-N763 HydrophobicContact CG2-CB 3.66Å; A761-N763 PolarHBondContact O-N 3.48Å; A761-N763 PolarHBondContact O-OD1 3.01Å |
| 764 | M | 89.9 | Confident | 71.7 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 5% | 0.054 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 109.5 | 172.4 | -173.6 | 176.5 | 75.1 | 0 | 0 | 109.4 | V710 I719 D721 V744 M746 V766 | V710-M764 HydrophobicContact CG1-SD 4.27Å; V710-M764 HydrophobicContact CG2-CE 3.93Å; V710-M764 HydrophobicContact CG2-CG 4.3Å; V710-M764 HydrophobicContact CG2-SD 4.11Å; I719-M764 HydrophobicContact CG2-CE 3.58Å; D721-M764 HydrophobicContact CB-CE 4.24Å; D721-M764 HydrophobicContact CB-SD 3.49Å; D721-M764 WeakPolarHBondContact CB-SD 3.33Å; V744-M764 PolarHBondContact N-O 3.39Å; V744-M764 PolarHBondContact O-N 2.94Å; M746-M764 HydrophobicContact CG-CB 4.4Å; M746-M764 HydrophobicContact SD-CB 4.38Å; M764-V766 HydrophobicContact CE-CG2 4.02Å |
| 765 | P | 94.4 | Very high | 74.4 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.6 | 170.6 | -18.5 | 31.3 | 0 | 0 | 0 | 111.6 | K708 A709 V710 L735 V741 I743 | K708-P765 WeakPolarHBondContact O-CD 3.48Å; A709-P765 WeakPolarHBondContact CA-O 3.34Å; A709-P765 HydrophobicContact CB-CB 4.02Å; V710-P765 PolarHBondContact N-O 3.4Å; L735-P765 HydrophobicContact CD1-CB 3.54Å; L735-P765 HydrophobicContact CD1-CG 3.66Å; L735-P765 HydrophobicContact CD2-CB 4.07Å; L735-P765 HydrophobicContact CG-CB 4.43Å; V741-P765 HydrophobicContact CG1-CB 4.06Å; I743-P765 HydrophobicContact CD1-CB 4.1Å; I743-P765 HydrophobicContact CD1-CG 4.24Å |
| 766 | V | 95.1 | Very high | 77.3 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 117.1 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | V710 D712 I719 K742 V744 M764 | V710-V766 HydrophobicContact CG2-CB 4.32Å; V710-V766 HydrophobicContact CG2-CG1 4.27Å; V710-V766 HydrophobicContact CG2-CG2 3.83Å; V710-V766 CarbonylContact O-C 3.58Å; V710-V766 WeakPolarHBondContact O-CA 3.25Å; D712-V766 HydrophobicContact CB-CG1 3.75Å; I719-V766 HydrophobicContact CD1-CG1 4.31Å; I719-V766 HydrophobicContact CD1-CG2 4.34Å; I719-V766 HydrophobicContact CG2-CG1 4.06Å; I719-V766 HydrophobicContact CG2-CG2 3.71Å; K742-V766 HydrophobicContact CB-CB 4.35Å; K742-V766 PolarHBondContact N-O 3Å; K742-V766 PolarHBondContact O-N 2.66Å; V744-V766 HydrophobicContact CB-CG2 4.38Å; V744-V766 HydrophobicContact CG2-CG2 3.64Å; M764-V766 HydrophobicContact CE-CG2 4.02Å |
| 767 | I | 94.9 | Very high | 80.1 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 119.6 | 171.9 | -56.5 | 173.1 | 0 | 0 | 0 | 106.5 | V710 I711 D712 L726 F734 L735 L738 V741 A773 | V710-I767 PolarHBondContact O-N 3.37Å; I711-I767 WeakPolarHBondContact CA-O 3.26Å; I711-I767 HydrophobicContact CG1-CB 4.04Å; I711-I767 HydrophobicContact CG1-CD1 4.4Å; I711-I767 HydrophobicContact CG1-CG2 4.39Å; D712-I767 PolarHBondContact N-O 3.32Å; L726-I767 HydrophobicContact CD1-CD1 4.34Å; L726-I767 HydrophobicContact CD2-CD1 4.3Å; F734-I767 HydrophobicContact CE1-CD1 3.97Å; L735-I767 HydrophobicContact CD2-CD1 4.05Å; L735-I767 HydrophobicContact CD2-CG1 3.89Å; L738-I767 HydrophobicContact CD1-CD1 3.84Å; L738-I767 HydrophobicContact CD1-CG1 3.93Å; L738-I767 HydrophobicContact CD1-CG2 4.19Å; V741-I767 HydrophobicContact CG2-CG1 4.4Å; I767-A773 HydrophobicContact CG2-CB 4.34Å |
| 768 | P | 92.3 | Very high | 82.8 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | trans | -68 | 166.3 | 176.5 | 31.8 | -36.2 | 0 | 0 | 0 | 110.7 | D740 N770 A773 | D740-P768 HydrophobicContact CB-CG 4.02Å; D740-P768 VanDerWaalsContact CG-CG 3.45Å; D740-P768 WeakPolarHBondContact O-CD 3.49Å; D740-P768 WeakPolarHBondContact OD2-CG 3.36Å; P768-N770 VanDerWaalsContact C-N 3.28Å; P768-N770 PolarHBondContact O-N 3.5Å; P768-A773 WeakPolarHBondContact O-CB 3.39Å | ||
| 769 | M | 91.9 | Very high | 85.8 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -70.6 | 85.3 | 174.5 | -159.9 | 63.7 | -162 | 0 | 0 | 111 | I711 F713 A773 E774 I777 | I711-M769 HydrophobicContact CG2-SD 4.31Å; F713-M769 HydrophobicContact CB-SD 4.44Å; M769-A773 HydrophobicContact SD-CB 4.01Å; M769-E774 HydrophobicContact CE-CB 4.22Å; M769-E774 HydrophobicContact CE-CG 3.34Å; M769-I777 HydrophobicContact CE-CD1 3.58Å; M769-I777 HydrophobicContact SD-CD1 3.83Å |
| 770 | N | 91.3 | Very high | 88.7 | Confident | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -117.5 | -179.4 | 176.8 | 65 | 18.1 | 0 | 0 | 0 | 110.4 | D740 P768 I772 A773 E774 | D740-N770 PolarHBondContact OD1-ND2 3.38Å; D740-N770 PolarHBondContact OD2-ND2 2.89Å; P768-N770 VanDerWaalsContact C-N 3.28Å; P768-N770 PolarHBondContact O-N 3.5Å; N770-I772 PolarHBondContact O-N 2.92Å; N770-I772 VanDerWaalsContact O-N 3.14Å; N770-I772 WeakPolarHBondContact OD1-CB 3.34Å; N770-I772 PolarHBondContact OD1-N 3.12Å; N770-I772 VanDerWaalsContact OD1-N 3.16Å; N770-A773 WeakPolarHBondContact O-CB 3.34Å; N770-A773 PolarHBondContact O-N 3.5Å; N770-A773 PolarHBondContact OD1-N 3.04Å; N770-E774 WeakPolarHBondContact O-CG 3.32Å; N770-E774 PolarHBondContact O-N 3.43Å |
| 771 | T | 92.6 | Very high | 91.1 | Very high | 114 Ų | 114 | 40.6 Ų | 40.6 | 70% | 0.699 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -58.2 | -31 | -177.8 | -46.5 | 0 | 0 | 0 | 0 | 113.2 | A775 | T771-A775 WeakPolarHBondContact O-CB 3.11Å; T771-A775 PolarHBondContact O-N 3.1Å |
| 772 | I | 94 | Very high | 93.2 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 18% | 0.179 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.7 | -44.9 | 176.8 | -73.4 | 173.1 | 0 | 0 | 0 | 110.5 | F734 L738 N770 E774 A775 V776 I789 | F734-I772 HydrophobicContact CZ-CG2 4.1Å; L738-I772 HydrophobicContact CD2-CD1 3.27Å; L738-I772 HydrophobicContact CD2-CG1 4.46Å; L738-I772 HydrophobicContact CD2-CG2 4.18Å; N770-I772 PolarHBondContact O-N 2.92Å; N770-I772 VanDerWaalsContact O-N 3.14Å; N770-I772 WeakPolarHBondContact OD1-CB 3.34Å; N770-I772 PolarHBondContact OD1-N 3.12Å; N770-I772 VanDerWaalsContact OD1-N 3.16Å; I772-E774 VanDerWaalsContact C-N 3.32Å; I772-E774 PolarHBondContact O-N 2.98Å; I772-A775 PolarHBondContact O-N 2.9Å; I772-V776 WeakPolarHBondContact O-CG2 3.23Å; I772-V776 PolarHBondContact O-N 3.2Å; I772-I789 HydrophobicContact CD1-CG2 3.74Å; I772-I789 HydrophobicContact CG1-CG2 3.83Å; I772-I789 HydrophobicContact CG2-CD1 3.91Å; I772-I789 HydrophobicContact CG2-CG2 4.03Å |
| 773 | A | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I711 I767 P768 M769 N770 V776 I777 | I711-A773 HydrophobicContact CD1-CB 4.16Å; I711-A773 HydrophobicContact CG1-CB 4.27Å; I711-A773 HydrophobicContact CG2-CB 3.75Å; I767-A773 HydrophobicContact CG2-CB 4.34Å; P768-A773 WeakPolarHBondContact O-CB 3.39Å; M769-A773 HydrophobicContact SD-CB 4.01Å; N770-A773 WeakPolarHBondContact O-CB 3.34Å; N770-A773 PolarHBondContact O-N 3.5Å; N770-A773 PolarHBondContact OD1-N 3.04Å; A773-V776 PolarHBondContact O-N 3.4Å; A773-I777 VanDerWaalsContact O-CG1 3.32Å; A773-I777 WeakPolarHBondContact O-CG1 3.41Å; A773-I777 PolarHBondContact O-N 2.94Å |
| 774 | E | 94.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 47.9 Ų | 47.9 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 174.8 | -73.4 | 174.2 | 171.7 | 0 | 0 | 112.1 | M769 N770 I772 V776 I777 E778 | M769-E774 HydrophobicContact CE-CB 4.22Å; M769-E774 HydrophobicContact CE-CG 3.34Å; N770-E774 WeakPolarHBondContact O-CG 3.32Å; N770-E774 PolarHBondContact O-N 3.43Å; I772-E774 VanDerWaalsContact C-N 3.32Å; I772-E774 PolarHBondContact O-N 2.98Å; E774-V776 VanDerWaalsContact C-N 3.31Å; E774-V776 PolarHBondContact O-N 3.16Å; E774-I777 PolarHBondContact O-N 2.92Å; E774-E778 WeakPolarHBondContact O-CB 3.37Å; E774-E778 PolarHBondContact O-N 3.24Å |
| 775 | A | 96.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T771 I772 E778 M779 I787 | T771-A775 WeakPolarHBondContact O-CB 3.11Å; T771-A775 PolarHBondContact O-N 3.1Å; I772-A775 PolarHBondContact O-N 2.9Å; A775-E778 PolarHBondContact O-N 3.44Å; A775-M779 WeakPolarHBondContact O-CB 3.42Å; A775-M779 PolarHBondContact O-N 3.45Å; A775-I787 HydrophobicContact CB-CD1 4.37Å |
| 776 | V | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 174.6 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | I711 I772 A773 E774 E778 M779 I780 I787 I789 I794 V819 | I711-V776 HydrophobicContact CD1-CB 4.15Å; I711-V776 HydrophobicContact CD1-CG1 3.82Å; I772-V776 WeakPolarHBondContact O-CG2 3.23Å; I772-V776 PolarHBondContact O-N 3.2Å; A773-V776 PolarHBondContact O-N 3.4Å; E774-V776 VanDerWaalsContact C-N 3.31Å; E774-V776 PolarHBondContact O-N 3.16Å; V776-E778 VanDerWaalsContact C-N 3.34Å; V776-M779 WeakPolarHBondContact O-CB 3.23Å; V776-M779 PolarHBondContact O-N 3.17Å; V776-I780 VanDerWaalsContact O-CG1 3.32Å; V776-I780 WeakPolarHBondContact O-CG1 3.35Å; V776-I780 PolarHBondContact O-N 3.35Å; V776-I780 VanDerWaalsContact O-N 3.13Å; V776-I787 HydrophobicContact CG2-CD1 4.33Å; V776-I789 HydrophobicContact CG2-CD1 3.78Å; V776-I794 HydrophobicContact CG2-CG2 4.16Å; V776-V819 HydrophobicContact CG1-CB 4.23Å; V776-V819 HydrophobicContact CG1-CG1 3.67Å; V776-V819 HydrophobicContact CG1-CG2 3.74Å |
| 777 | I | 95.6 | Very high | 95.4 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 18% | 0.179 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.3 | -70.9 | 167.7 | 0 | 0 | 0 | 110.8 | I711 F713 I724 M769 A773 E774 I780 N781 | I711-I777 HydrophobicContact CG2-CD1 4.18Å; F713-I777 HydrophobicContact CB-CD1 4.28Å; I724-I777 HydrophobicContact CD1-CD1 3.93Å; I724-I777 HydrophobicContact CD1-CG1 4.03Å; M769-I777 HydrophobicContact CE-CD1 3.58Å; M769-I777 HydrophobicContact SD-CD1 3.83Å; A773-I777 VanDerWaalsContact O-CG1 3.32Å; A773-I777 WeakPolarHBondContact O-CG1 3.41Å; A773-I777 PolarHBondContact O-N 2.94Å; E774-I777 PolarHBondContact O-N 2.92Å; I777-I780 PolarHBondContact O-N 3.08Å; I777-N781 WeakPolarHBondContact O-CB 3.13Å; I777-N781 VanDerWaalsContact O-CG 3.24Å; I777-N781 PolarHBondContact O-N 2.83Å; I777-N781 PolarHBondContact O-ND2 2.96Å |
| 778 | E | 96.7 | Very high | 95.5 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 176.1 | -171.3 | 174.5 | -168.1 | 0 | 0 | 111.8 | E774 A775 V776 I780 N781 R782 | E774-E778 WeakPolarHBondContact O-CB 3.37Å; E774-E778 PolarHBondContact O-N 3.24Å; A775-E778 PolarHBondContact O-N 3.44Å; V776-E778 VanDerWaalsContact C-N 3.34Å; E778-I780 VanDerWaalsContact C-N 3.29Å; E778-I780 PolarHBondContact O-N 2.66Å; E778-N781 PolarHBondContact O-N 2.92Å; E778-R782 HydrophobicContact CG-CG 4.23Å; E778-R782 WeakPolarHBondContact O-CB 3.28Å; E778-R782 WeakPolarHBondContact O-CG 3.5Å; E778-R782 PolarHBondContact O-N 3.09Å; E778-R782 IonicContact OE1-CZ 2.76Å; E778-R782 IonicContact OE1-NE 3.8Å; E778-R782 PolarHBondContact OE1-NE 3.39Å; E778-R782 IonicContact OE1-NH2 3.64Å; E778-R782 PolarHBondContact OE1-NH2 2.94Å |
| 779 | M | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.1 | -46.5 | 172.8 | 176.6 | -161.7 | 69.6 | 0 | 0 | 111.2 | A775 V776 G783 Q784 I787 I794 N796 V819 | A775-M779 WeakPolarHBondContact O-CB 3.42Å; A775-M779 PolarHBondContact O-N 3.45Å; V776-M779 WeakPolarHBondContact O-CB 3.23Å; V776-M779 PolarHBondContact O-N 3.17Å; M779-G783 PolarHBondContact O-N 3.18Å; M779-Q784 HydrophobicContact CB-CB 4.43Å; M779-Q784 HydrophobicContact CG-CB 3.67Å; M779-Q784 PolarHBondContact O-N 3.09Å; M779-I787 HydrophobicContact CB-CD1 4.13Å; M779-I787 HydrophobicContact CB-CG2 4.07Å; M779-I787 HydrophobicContact CG-CG2 3.89Å; M779-I787 HydrophobicContact SD-CB 4.3Å; M779-I787 HydrophobicContact SD-CD1 4.2Å; M779-I787 HydrophobicContact SD-CG1 3.75Å; M779-I787 HydrophobicContact SD-CG2 4.03Å; M779-I794 HydrophobicContact CE-CG2 4.5Å; M779-I794 VanDerWaalsContact SD-O 3.41Å; M779-N796 HydrophobicContact CE-CB 4.2Å; M779-V819 HydrophobicContact CE-CB 4.33Å; M779-V819 HydrophobicContact CE-CG2 4.32Å |
| 780 | I | 97.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -49 | 179 | -63.3 | -68.5 | 0 | 0 | 0 | 110.8 | V776 I777 E778 R782 G783 N796 V819 T821 Q824 | V776-I780 VanDerWaalsContact O-CG1 3.32Å; V776-I780 WeakPolarHBondContact O-CG1 3.35Å; V776-I780 PolarHBondContact O-N 3.35Å; V776-I780 VanDerWaalsContact O-N 3.13Å; I777-I780 PolarHBondContact O-N 3.08Å; E778-I780 VanDerWaalsContact C-N 3.29Å; E778-I780 PolarHBondContact O-N 2.66Å; I780-R782 VanDerWaalsContact C-N 3.29Å; I780-R782 PolarHBondContact O-N 3.45Å; I780-G783 PolarHBondContact O-N 3.33Å; I780-N796 HydrophobicContact CD1-CB 4.2Å; I780-V819 HydrophobicContact CD1-CB 4.12Å; I780-V819 HydrophobicContact CD1-CG1 3.99Å; I780-V819 HydrophobicContact CG1-CG1 4.09Å; I780-T821 HydrophobicContact CD1-CG2 4.47Å; I780-T821 HydrophobicContact CG1-CG2 4.17Å; I780-T821 HydrophobicContact CG2-CG2 4.06Å; I780-Q824 HydrophobicContact CG2-CG 3.83Å |
| 781 | N | 96 | Very high | 96.1 | Very high | 115 Ų | 115 | 62.8 Ų | 62.8 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.8 | -33.8 | -178 | -70.5 | -16.8 | 0 | 0 | 0 | 112.8 | I777 E778 G783 | I777-N781 WeakPolarHBondContact O-CB 3.13Å; I777-N781 VanDerWaalsContact O-CG 3.24Å; I777-N781 PolarHBondContact O-N 2.83Å; I777-N781 PolarHBondContact O-ND2 2.96Å; E778-N781 PolarHBondContact O-N 2.92Å; N781-G783 VanDerWaalsContact C-N 3.29Å |
| 782 | R | 96.8 | Very high | 96.3 | Very high | 172 Ų | 172 | 59.4 Ų | 59.4 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.1 | 176.2 | -68.9 | -175.3 | 177.9 | -142 | 4 | 113.5 | E778 I780 Q784 | E778-R782 HydrophobicContact CG-CG 4.23Å; E778-R782 WeakPolarHBondContact O-CB 3.28Å; E778-R782 WeakPolarHBondContact O-CG 3.5Å; E778-R782 PolarHBondContact O-N 3.09Å; E778-R782 IonicContact OE1-CZ 2.76Å; E778-R782 IonicContact OE1-NE 3.8Å; E778-R782 PolarHBondContact OE1-NE 3.39Å; E778-R782 IonicContact OE1-NH2 3.64Å; E778-R782 PolarHBondContact OE1-NH2 2.94Å; I780-R782 VanDerWaalsContact C-N 3.29Å; I780-R782 PolarHBondContact O-N 3.45Å; R782-Q784 HydrophobicContact CB-CG 4.03Å; R782-Q784 PolarHBondContact O-N 3.05Å |
| 783 | G | 95 | Very high | 96.5 | Very high | 52 Ų | 52 | 60.2 Ų | 60.2 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 26.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M779 I780 N781 | M779-G783 PolarHBondContact O-N 3.18Å; I780-G783 PolarHBondContact O-N 3.33Å; N781-G783 VanDerWaalsContact C-N 3.29Å |
| 784 | Q | 97.1 | Very high | 96.7 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | trans | -66.8 | 145.1 | 176.5 | -75.2 | 178.7 | -48.5 | 0 | 0 | 110.4 | M779 R782 N796 | M779-Q784 HydrophobicContact CB-CB 4.43Å; M779-Q784 HydrophobicContact CG-CB 3.67Å; M779-Q784 PolarHBondContact O-N 3.09Å; R782-Q784 HydrophobicContact CB-CG 4.03Å; R782-Q784 PolarHBondContact O-N 3.05Å; Q784-N796 WeakPolarHBondContact O-CB 3.46Å; Q784-N796 PolarHBondContact O-ND2 3.03Å | ||
| 785 | I | 96.9 | Very high | 96.8 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -66.3 | -51.6 | -176.5 | -64.2 | 175.6 | 0 | 0 | 0 | 110.8 | N796 A799 I803 | I785-N796 WeakPolarHBondContact O-CB 3.27Å; I785-N796 PolarHBondContact O-N 3.36Å; I785-A799 HydrophobicContact CB-CB 4.22Å; I785-A799 HydrophobicContact CG1-CB 4.28Å; I785-A799 HydrophobicContact CG2-CB 3.89Å; I785-I803 HydrophobicContact CG2-CD1 3.88Å; I785-I803 HydrophobicContact CG2-CG1 3.63Å |
| 786 | Q | 97.1 | Very high | 96.9 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 161 | 178.9 | 62.1 | -178.8 | -26.7 | 0 | 0 | 111.2 | I794 I803 | Q786-I794 CarbonylContact C-O 3.59Å; Q786-I794 WeakPolarHBondContact CA-O 3.32Å; Q786-I794 VanDerWaalsContact CB-O 3.29Å; Q786-I794 WeakPolarHBondContact CB-O 3.35Å; Q786-I803 HydrophobicContact CB-CD1 4.38Å |
| 787 | I | 97.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 170.5 | 169.5 | 62.6 | -179.7 | 0 | 0 | 0 | 109.8 | A775 V776 M779 I789 I794 | A775-I787 HydrophobicContact CB-CD1 4.37Å; V776-I787 HydrophobicContact CG2-CD1 4.33Å; M779-I787 HydrophobicContact CB-CD1 4.13Å; M779-I787 HydrophobicContact CB-CG2 4.07Å; M779-I787 HydrophobicContact CG-CG2 3.89Å; M779-I787 HydrophobicContact SD-CB 4.3Å; M779-I787 HydrophobicContact SD-CD1 4.2Å; M779-I787 HydrophobicContact SD-CG1 3.75Å; M779-I787 HydrophobicContact SD-CG2 4.03Å; I787-I789 HydrophobicContact CD1-CD1 3.63Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CD1 4.21Å; I787-I789 HydrophobicContact CG1-CG1 4.33Å; I787-I794 HydrophobicContact CG1-CB 4.01Å; I787-I794 PolarHBondContact N-O 2.88Å; I787-I794 PolarHBondContact O-N 3.26Å |
| 788 | T | 97.8 | Very high | 96.9 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.4 | 173.5 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | F792 | T788-F792 WeakPolarHBondContact CA-O 3.46Å |
| 789 | I | 96.2 | Very high | 97 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127 | 178.4 | -61.8 | 167.8 | 0 | 0 | 0 | 107.7 | F734 I772 V776 I787 G791 F792 I794 | F734-I789 HydrophobicContact CE2-CB 4.27Å; F734-I789 HydrophobicContact CE2-CG2 4.06Å; I772-I789 HydrophobicContact CD1-CG2 3.74Å; I772-I789 HydrophobicContact CG1-CG2 3.83Å; I772-I789 HydrophobicContact CG2-CD1 3.91Å; I772-I789 HydrophobicContact CG2-CG2 4.03Å; V776-I789 HydrophobicContact CG2-CD1 3.78Å; I787-I789 HydrophobicContact CD1-CD1 3.63Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CD1 4.21Å; I787-I789 HydrophobicContact CG1-CG1 4.33Å; I789-G791 PolarHBondContact O-N 3.46Å; I789-G791 VanDerWaalsContact O-N 3.08Å; I789-F792 PolarHBondContact N-O 3Å; I789-F792 WeakPolarHBondContact O-CB 3.37Å; I789-F792 PolarHBondContact O-N 2.95Å; I789-I794 HydrophobicContact CB-CG1 4.29Å; I789-I794 HydrophobicContact CD1-CG1 4.09Å; I789-I794 HydrophobicContact CG1-CG1 4.35Å |
| 790 | N | 95.2 | Very high | 97 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 31.3 | -178.6 | -60.4 | -9 | 0 | 0 | 0 | 113.7 | S737 F792 | S737-N790 PolarHBondContact O-ND2 3.22Å; S737-N790 PolarHBondContact OG-ND2 3.01Å; N790-F792 VanDerWaalsContact C-N 3.3Å; N790-F792 HydrophobicContact CB-CD2 4.12Å; N790-F792 HydrophobicContact CB-CE2 4.37Å; N790-F792 VanDerWaalsContact O-CD2 3.29Å; N790-F792 WeakPolarHBondContact O-CD2 3.35Å; N790-F792 WeakPolarHBondContact O-CE2 3.4Å; N790-F792 PolarHBondContact O-N 3.23Å |
| 791 | G | 95.7 | Very high | 96.9 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -4.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I789 | I789-G791 PolarHBondContact O-N 3.46Å; I789-G791 VanDerWaalsContact O-N 3.08Å |
| 792 | F | 97.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.5 | 177 | -59 | -86.6 | 0 | 0 | 0 | 111 | D730 A733 F734 T788 I789 N790 I794 I817 | D730-F792 HydrophobicContact CB-CD1 4.02Å; D730-F792 HydrophobicContact CB-CE1 3.92Å; A733-F792 HydrophobicContact CB-CE1 3.86Å; A733-F792 HydrophobicContact CB-CZ 3.82Å; F734-F792 HydrophobicContact CB-CD1 4.17Å; F734-F792 HydrophobicContact CB-CD2 4.1Å; F734-F792 HydrophobicContact CB-CE1 4.37Å; F734-F792 HydrophobicContact CB-CE2 4.3Å; F734-F792 HydrophobicContact CB-CG 4.03Å; F734-F792 HydrophobicContact CB-CZ 4.43Å; F734-F792 HydrophobicContact CD2-CB 4.09Å; F734-F792 AromaticContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CE2 4.43Å; F734-F792 HydrophobicContact CD2-CG 4.01Å; F734-F792 HydrophobicContact CG-CD2 4.42Å; F734-F792 HydrophobicContact CG-CG 4.46Å; T788-F792 WeakPolarHBondContact CA-O 3.46Å; I789-F792 PolarHBondContact N-O 3Å; I789-F792 WeakPolarHBondContact O-CB 3.37Å; I789-F792 PolarHBondContact O-N 2.95Å; N790-F792 VanDerWaalsContact C-N 3.3Å; N790-F792 HydrophobicContact CB-CD2 4.12Å; N790-F792 HydrophobicContact CB-CE2 4.37Å; N790-F792 VanDerWaalsContact O-CD2 3.29Å; N790-F792 WeakPolarHBondContact O-CD2 3.35Å; N790-F792 WeakPolarHBondContact O-CE2 3.4Å; N790-F792 PolarHBondContact O-N 3.23Å; F792-I794 HydrophobicContact CB-CD1 4.07Å; F792-I794 PolarHBondContact O-N 3.02Å; F792-I817 HydrophobicContact CB-CD1 4.13Å; F792-I817 HydrophobicContact CD1-CD1 4.3Å; F792-I817 HydrophobicContact CG-CD1 4.38Å |
| 793 | S | 97.5 | Very high | 97 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 114.7 | 171.5 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | I817 | S793-I817 PolarHBondContact O-N 3.14Å |
| 794 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114 | 177.7 | -46.7 | -56.4 | 0 | 0 | 0 | 107.9 | F734 V776 M779 Q786 I787 I789 F792 I817 V819 | F734-I794 HydrophobicContact CD2-CD1 4.16Å; F734-I794 HydrophobicContact CE1-CD1 4.41Å; F734-I794 HydrophobicContact CE2-CD1 3.93Å; F734-I794 HydrophobicContact CZ-CD1 4.06Å; V776-I794 HydrophobicContact CG2-CG2 4.16Å; M779-I794 HydrophobicContact CE-CG2 4.5Å; M779-I794 VanDerWaalsContact SD-O 3.41Å; Q786-I794 CarbonylContact C-O 3.59Å; Q786-I794 WeakPolarHBondContact CA-O 3.32Å; Q786-I794 VanDerWaalsContact CB-O 3.29Å; Q786-I794 WeakPolarHBondContact CB-O 3.35Å; I787-I794 HydrophobicContact CG1-CB 4.01Å; I787-I794 PolarHBondContact N-O 2.88Å; I787-I794 PolarHBondContact O-N 3.26Å; I789-I794 HydrophobicContact CB-CG1 4.29Å; I789-I794 HydrophobicContact CD1-CG1 4.09Å; I789-I794 HydrophobicContact CG1-CG1 4.35Å; F792-I794 HydrophobicContact CB-CD1 4.07Å; F792-I794 PolarHBondContact O-N 3.02Å; I794-I817 CarbonylContact C-O 3.56Å; I794-I817 VanDerWaalsContact CA-O 3.32Å; I794-I817 WeakPolarHBondContact CA-O 3.38Å; I794-I817 HydrophobicContact CD1-CB 3.7Å; I794-I817 HydrophobicContact CD1-CD1 3.85Å; I794-I817 HydrophobicContact CD1-CG1 4.28Å; I794-I817 HydrophobicContact CD1-CG2 4.02Å; I794-V819 HydrophobicContact CG2-CG2 3.34Å |
| 795 | S | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 145.1 | -172.8 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | G797 T816 I817 I818 V819 | S795-G797 PolarHBondContact O-N 3.4Å; S795-T816 WeakPolarHBondContact OG-CB 3.17Å; S795-T816 PolarHBondContact OG-OG1 2.84Å; S795-I817 PolarHBondContact N-O 3.44Å; S795-I817 PolarHBondContact OG-O 3.16Å; S795-I818 WeakPolarHBondContact O-CA 3.37Å; S795-V819 PolarHBondContact O-N 2.79Å |
| 796 | N | 98 | Very high | 97.1 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 123.9 | 168.7 | -177.3 | -26.9 | 0 | 0 | 0 | 109.9 | M779 I780 Q784 I785 L798 A799 Q824 | M779-N796 HydrophobicContact CE-CB 4.2Å; I780-N796 HydrophobicContact CD1-CB 4.2Å; Q784-N796 WeakPolarHBondContact O-CB 3.46Å; Q784-N796 PolarHBondContact O-ND2 3.03Å; I785-N796 WeakPolarHBondContact O-CB 3.27Å; I785-N796 PolarHBondContact O-N 3.36Å; N796-L798 PolarHBondContact O-N 3.11Å; N796-L798 VanDerWaalsContact O-N 3.1Å; N796-L798 PolarHBondContact OD1-N 3Å; N796-L798 VanDerWaalsContact OD1-N 3.07Å; N796-A799 HydrophobicContact CB-CB 4.48Å; N796-A799 PolarHBondContact O-N 3.43Å; N796-Q824 PolarHBondContact OD1-NE2 3.36Å |
| 797 | G | 95.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -58.7 | -22.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S795 A799 T800 I818 V819 R903 | S795-G797 PolarHBondContact O-N 3.4Å; G797-A799 VanDerWaalsContact C-N 3.3Å; G797-T800 PolarHBondContact O-OG1 3.39Å; G797-I818 VanDerWaalsContact CA-CG2 3.4Å; G797-V819 PolarHBondContact N-O 3.02Å; G797-R903 PolarHBondContact O-NH2 2.93Å |
| 798 | L | 96.9 | Very high | 97.2 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 39% | 0.387 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -77.4 | -14.1 | 175.1 | -62.9 | -179.7 | 0 | 0 | 0 | 113.3 | N796 Q824 Y825 | N796-L798 PolarHBondContact O-N 3.11Å; N796-L798 VanDerWaalsContact O-N 3.1Å; N796-L798 PolarHBondContact OD1-N 3Å; N796-L798 VanDerWaalsContact OD1-N 3.07Å; L798-Q824 HydrophobicContact CD1-CB 3.95Å; L798-Q824 HydrophobicContact CD1-CG 3.97Å; L798-Q824 HydrophobicContact CG-CB 4.3Å; L798-Q824 HydrophobicContact CG-CG 4.24Å; L798-Y825 HydrophobicContact CD2-CE1 3.77Å |
| 799 | A | 97.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 40 Ų | 40 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -104.6 | 7.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I785 N796 G797 T801 Q802 I803 | I785-A799 HydrophobicContact CB-CB 4.22Å; I785-A799 HydrophobicContact CG1-CB 4.28Å; I785-A799 HydrophobicContact CG2-CB 3.89Å; N796-A799 HydrophobicContact CB-CB 4.48Å; N796-A799 PolarHBondContact O-N 3.43Å; G797-A799 VanDerWaalsContact C-N 3.3Å; A799-T801 VanDerWaalsContact C-N 3.27Å; A799-T801 PolarHBondContact O-N 3.29Å; A799-Q802 WeakPolarHBondContact O-CB 3.38Å; A799-Q802 PolarHBondContact O-N 3.42Å; A799-I803 PolarHBondContact O-N 2.98Å; A799-I803 VanDerWaalsContact O-N 3.15Å |
| 800 | T | 97.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.3 | -38.3 | -174.2 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | G797 Q802 I803 N804 A808 R903 | G797-T800 PolarHBondContact O-OG1 3.39Å; T800-Q802 VanDerWaalsContact C-N 3.28Å; T800-Q802 PolarHBondContact O-N 3.24Å; T800-I803 PolarHBondContact O-N 2.93Å; T800-N804 CarbonylContact O-C 3.33Å; T800-N804 VanDerWaalsContact O-C 3.29Å; T800-N804 PolarHBondContact O-N 3.21Å; T800-N804 VanDerWaalsContact O-O 3.08Å; T800-A808 HydrophobicContact CG2-CB 3.96Å; T800-R903 PolarHBondContact OG1-NH2 3.29Å |
| 801 | T | 96.4 | Very high | 97.4 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 36% | 0.356 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.2 | -31 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | A799 A808 P897 | A799-T801 VanDerWaalsContact C-N 3.27Å; A799-T801 PolarHBondContact O-N 3.29Å; T801-A808 HydrophobicContact CG2-CB 3.58Å; T801-P897 HydrophobicContact CG2-CB 4.42Å; T801-P897 HydrophobicContact CG2-CG 3.54Å |
| 802 | Q | 96.8 | Very high | 97.5 | Very high | 136 Ų | 136 | 36.7 Ų | 36.7 | 64% | 0.636 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -78 | -27.3 | 176.7 | -59.3 | 176.8 | 46.3 | 0 | 0 | 111.9 | A799 T800 | A799-Q802 WeakPolarHBondContact O-CB 3.38Å; A799-Q802 PolarHBondContact O-N 3.42Å; T800-Q802 VanDerWaalsContact C-N 3.28Å; T800-Q802 PolarHBondContact O-N 3.24Å |
| 803 | I | 97 | Very high | 97.5 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -83.2 | -54.5 | 178.3 | -62.2 | 170.6 | 0 | 0 | 0 | 110.3 | I785 Q786 A799 T800 T816 | I785-I803 HydrophobicContact CG2-CD1 3.88Å; I785-I803 HydrophobicContact CG2-CG1 3.63Å; Q786-I803 HydrophobicContact CB-CD1 4.38Å; A799-I803 PolarHBondContact O-N 2.98Å; A799-I803 VanDerWaalsContact O-N 3.15Å; T800-I803 PolarHBondContact O-N 2.93Å; I803-T816 HydrophobicContact CG2-CG2 4.33Å |
| 804 | N | 97.3 | Very high | 97.5 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | trans | -155.4 | 105.4 | 176.6 | 179.2 | -7.5 | 0 | 0 | 0 | 109.8 | T800 K806 A807 A808 E812 | T800-N804 CarbonylContact O-C 3.33Å; T800-N804 VanDerWaalsContact O-C 3.29Å; T800-N804 PolarHBondContact O-N 3.21Å; T800-N804 VanDerWaalsContact O-O 3.08Å; N804-K806 PolarHBondContact O-N 2.98Å; N804-K806 WeakPolarHBondContact OD1-CB 3.36Å; N804-K806 PolarHBondContact OD1-N 3.31Å; N804-A807 HydrophobicContact CB-CB 3.86Å; N804-A807 WeakPolarHBondContact O-CB 3.37Å; N804-A807 PolarHBondContact O-N 3.48Å; N804-A807 PolarHBondContact OD1-N 3.26Å; N804-A807 VanDerWaalsContact OD1-N 3.12Å; N804-A808 PolarHBondContact O-N 3.08Å; N804-A808 VanDerWaalsContact O-N 3.08Å; N804-E812 PolarHBondContact ND2-OE2 3.43Å | ||
| 805 | N | 97.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 44.4 Ų | 44.4 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 178.6 | -174 | 68.2 | 0 | 0 | 0 | 113.4 | A807 A808 T809 | N805-A807 VanDerWaalsContact C-N 3.26Å; N805-A807 PolarHBondContact O-N 3.27Å; N805-A808 WeakPolarHBondContact O-CB 3.39Å; N805-A808 PolarHBondContact O-N 3.5Å; N805-T809 WeakPolarHBondContact O-CG2 3.35Å; N805-T809 PolarHBondContact O-N 3.5Å; N805-T809 PolarHBondContact O-OG1 3Å |
| 806 | K | 97.7 | Very high | 97.4 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.1 | -34.5 | 176.5 | -73.4 | -174.5 | 169.3 | -78.2 | 0 | 111.7 | N590 N804 T809 G810 E811 E812 | N590-K806 PolarHBondContact OD1-NZ 3.33Å; N804-K806 PolarHBondContact O-N 2.98Å; N804-K806 WeakPolarHBondContact OD1-CB 3.36Å; N804-K806 PolarHBondContact OD1-N 3.31Å; K806-T809 WeakPolarHBondContact CA-OG1 3.49Å; K806-T809 PolarHBondContact O-OG1 3.1Å; K806-G810 PolarHBondContact O-N 3.14Å; K806-E811 HydrophobicContact CB-CB 4.03Å; K806-E811 HydrophobicContact CG-CB 4.39Å; K806-E811 IonicContact NZ-OE2 3.25Å; K806-E811 PolarHBondContact NZ-OE2 2.86Å; K806-E811 WeakPolarHBondContact O-CB 3.3Å; K806-E811 PolarHBondContact O-N 2.97Å; K806-E812 HydrophobicContact CB-CB 4.31Å; K806-E812 HydrophobicContact CB-CG 3.94Å; K806-E812 PolarHBondContact O-N 3.4Å |
| 807 | A | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -37.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N804 N805 G810 E812 P814 E899 | N804-A807 HydrophobicContact CB-CB 3.86Å; N804-A807 WeakPolarHBondContact O-CB 3.37Å; N804-A807 PolarHBondContact O-N 3.48Å; N804-A807 PolarHBondContact OD1-N 3.26Å; N804-A807 VanDerWaalsContact OD1-N 3.12Å; N805-A807 VanDerWaalsContact C-N 3.26Å; N805-A807 PolarHBondContact O-N 3.27Å; A807-G810 PolarHBondContact O-N 3.1Å; A807-E812 WeakPolarHBondContact CA-O 3.42Å; A807-E812 HydrophobicContact CB-CB 4.49Å; A807-P814 HydrophobicContact CB-CB 4.26Å; A807-P814 HydrophobicContact CB-CG 4.05Å; A807-E899 WeakPolarHBondContact O-CB 3.42Å |
| 808 | A | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T800 T801 N804 N805 G810 P897 K898 E899 | T800-A808 HydrophobicContact CG2-CB 3.96Å; T801-A808 HydrophobicContact CG2-CB 3.58Å; N804-A808 PolarHBondContact O-N 3.08Å; N804-A808 VanDerWaalsContact O-N 3.08Å; N805-A808 WeakPolarHBondContact O-CB 3.39Å; N805-A808 PolarHBondContact O-N 3.5Å; A808-G810 VanDerWaalsContact C-N 3.29Å; A808-P897 HydrophobicContact CB-CB 3.95Å; A808-P897 HydrophobicContact CB-CG 4.33Å; A808-P897 VanDerWaalsContact O-CB 3.23Å; A808-P897 WeakPolarHBondContact O-CB 3.48Å; A808-K898 PolarHBondContact O-N 3.47Å; A808-E899 VanDerWaalsContact O-CB 3.32Å; A808-E899 WeakPolarHBondContact O-CB 3.4Å; A808-E899 PolarHBondContact O-N 2.89Å |
| 809 | T | 97.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 14% | 0.135 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.2 | -19.3 | 175.2 | 56 | 0 | 0 | 0 | 0 | 112.6 | N805 K806 E811 | N805-T809 WeakPolarHBondContact O-CG2 3.35Å; N805-T809 PolarHBondContact O-N 3.5Å; N805-T809 PolarHBondContact O-OG1 3Å; K806-T809 WeakPolarHBondContact CA-OG1 3.49Å; K806-T809 PolarHBondContact O-OG1 3.1Å; T809-E811 WeakPolarHBondContact OG1-CG 3.41Å; T809-E811 PolarHBondContact OG1-OE1 2.93Å |
| 810 | G | 97.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 7.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F591 K806 A807 A808 E812 | F591-G810 WeakPolarHBondContact CE1-O 3.44Å; K806-G810 PolarHBondContact O-N 3.14Å; A807-G810 PolarHBondContact O-N 3.1Å; A808-G810 VanDerWaalsContact C-N 3.29Å; G810-E812 PolarHBondContact O-N 3.27Å |
| 811 | E | 98.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -67.2 | -25.4 | 170.6 | -74.7 | 175.6 | -96.9 | 0 | 0 | 112.4 | T589 N590 F591 K806 T809 | T589-E811 WeakPolarHBondContact CA-OE2 3.46Å; N590-E811 HydrophobicContact CB-CB 3.78Å; N590-E811 HydrophobicContact CB-CG 3.96Å; N590-E811 PolarHBondContact N-OE2 3.07Å; N590-E811 PolarHBondContact ND2-O 2.91Å; N590-E811 VanDerWaalsContact ND2-O 3.14Å; N590-E811 PolarHBondContact OD1-OE2 3.35Å; F591-E811 HydrophobicContact CD1-CG 4.37Å; F591-E811 HydrophobicContact CD2-CG 4.14Å; F591-E811 HydrophobicContact CE1-CB 4.42Å; F591-E811 HydrophobicContact CE1-CG 4.03Å; F591-E811 HydrophobicContact CE2-CG 3.75Å; F591-E811 HydrophobicContact CG-CG 4.46Å; F591-E811 HydrophobicContact CZ-CB 4.37Å; F591-E811 HydrophobicContact CZ-CG 3.71Å; K806-E811 HydrophobicContact CB-CB 4.03Å; K806-E811 HydrophobicContact CG-CB 4.39Å; K806-E811 IonicContact NZ-OE2 3.25Å; K806-E811 PolarHBondContact NZ-OE2 2.86Å; K806-E811 WeakPolarHBondContact O-CB 3.3Å; K806-E811 PolarHBondContact O-N 2.97Å; T809-E811 WeakPolarHBondContact OG1-CG 3.41Å; T809-E811 PolarHBondContact OG1-OE1 2.93Å |
| 812 | E | 98 | Very high | 97.7 | Very high | 71 Ų | 71 | 38.5 Ų | 38.5 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -132.5 | 156.3 | 173.8 | -70 | 178.5 | -171.3 | 0 | 0 | 110.3 | N804 K806 A807 G810 | N804-E812 PolarHBondContact ND2-OE2 3.43Å; K806-E812 HydrophobicContact CB-CB 4.31Å; K806-E812 HydrophobicContact CB-CG 3.94Å; K806-E812 PolarHBondContact O-N 3.4Å; A807-E812 WeakPolarHBondContact CA-O 3.42Å; A807-E812 HydrophobicContact CB-CB 4.49Å; G810-E812 PolarHBondContact O-N 3.27Å |
| 813 | V | 98.2 | Very high | 97.7 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 27% | 0.267 | 17% | 0.172 | S | C | . | . | trans | -81.5 | 128.9 | 170.8 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | P703 H704 I729 R815 | P703-V813 HydrophobicContact CG-CG1 3.94Å; P703-V813 HydrophobicContact CG-CG2 3.71Å; H704-V813 HydrophobicContact CB-CG1 4.05Å; I729-V813 HydrophobicContact CD1-CG1 3.82Å; I729-V813 HydrophobicContact CG1-CG1 3.84Å; V813-R815 PolarHBondContact O-N 3.36Å | ||
| 814 | P | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | trans | -57.2 | 128.5 | 175 | -21.4 | 29.9 | 0 | 0 | 0 | 112.1 | A807 I818 E899 | A807-P814 HydrophobicContact CB-CB 4.26Å; A807-P814 HydrophobicContact CB-CG 4.05Å; P814-I818 HydrophobicContact CB-CD1 3.64Å; P814-I818 HydrophobicContact CB-CG1 4.41Å; P814-I818 HydrophobicContact CG-CD1 3.84Å; P814-E899 HydrophobicContact CG-CG 3.91Å | ||
| 815 | R | 96.5 | Very high | 97.8 | Very high | 208 Ų | 208 | 32.3 Ų | 32.3 | 79% | 0.785 | 16% | 0.157 | S | C | * | . | trans | -85.8 | -24.6 | 178.6 | -62.6 | -172.9 | -174.5 | -172.3 | 2.1 | 113.2 | V813 | V813-R815 PolarHBondContact O-N 3.36Š| ||
| 816 | T | 97 | Very high | 97.7 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 14% | 0.141 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -77.4 | 161 | 178.1 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | S795 I803 | S795-T816 WeakPolarHBondContact OG-CB 3.17Å; S795-T816 PolarHBondContact OG-OG1 2.84Å; I803-T816 HydrophobicContact CG2-CG2 4.33Å |
| 817 | I | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 114.7 | 166.8 | -63 | 173.6 | 0 | 0 | 0 | 107.5 | L726 N727 L731 F734 F792 S793 I794 S795 | L726-I817 HydrophobicContact CB-CG2 4.29Å; L726-I817 HydrophobicContact CD2-CG2 4.22Å; N727-I817 CarbonylContact O-C 3.46Å; N727-I817 WeakPolarHBondContact O-CA 3.47Å; L731-I817 HydrophobicContact CD1-CG2 4.25Å; F734-I817 HydrophobicContact CB-CD1 3.24Å; F734-I817 HydrophobicContact CD1-CD1 3.84Å; F734-I817 HydrophobicContact CD2-CD1 4.23Å; F734-I817 HydrophobicContact CG-CD1 3.51Å; F792-I817 HydrophobicContact CB-CD1 4.13Å; F792-I817 HydrophobicContact CD1-CD1 4.3Å; F792-I817 HydrophobicContact CG-CD1 4.38Å; S793-I817 PolarHBondContact O-N 3.14Å; I794-I817 CarbonylContact C-O 3.56Å; I794-I817 VanDerWaalsContact CA-O 3.32Å; I794-I817 WeakPolarHBondContact CA-O 3.38Å; I794-I817 HydrophobicContact CD1-CB 3.7Å; I794-I817 HydrophobicContact CD1-CD1 3.85Å; I794-I817 HydrophobicContact CD1-CG1 4.28Å; I794-I817 HydrophobicContact CD1-CG2 4.02Å; S795-I817 PolarHBondContact N-O 3.44Å; S795-I817 PolarHBondContact OG-O 3.16Å |
| 818 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.5 | -176.9 | -53 | 175.9 | 0 | 0 | 0 | 110.1 | L726 N727 S795 G797 P814 | L726-I818 WeakPolarHBondContact CA-O 3.43Å; N727-I818 PolarHBondContact N-O 3.18Å; N727-I818 PolarHBondContact O-N 3.25Å; S795-I818 WeakPolarHBondContact O-CA 3.37Å; G797-I818 VanDerWaalsContact CA-CG2 3.4Å; P814-I818 HydrophobicContact CB-CD1 3.64Å; P814-I818 HydrophobicContact CB-CG1 4.41Å; P814-I818 HydrophobicContact CG-CD1 3.84Å |
| 819 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.5 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | I724 V725 L726 V776 M779 I780 I794 S795 G797 T821 | I724-V819 HydrophobicContact CG2-CG1 4.25Å; V725-V819 WeakPolarHBondContact O-CA 3.08Å; L726-V819 HydrophobicContact CD2-CG2 3.81Å; L726-V819 HydrophobicContact CG-CG2 3.99Å; V776-V819 HydrophobicContact CG1-CB 4.23Å; V776-V819 HydrophobicContact CG1-CG1 3.67Å; V776-V819 HydrophobicContact CG1-CG2 3.74Å; M779-V819 HydrophobicContact CE-CB 4.33Å; M779-V819 HydrophobicContact CE-CG2 4.32Å; I780-V819 HydrophobicContact CD1-CB 4.12Å; I780-V819 HydrophobicContact CD1-CG1 3.99Å; I780-V819 HydrophobicContact CG1-CG1 4.09Å; I794-V819 HydrophobicContact CG2-CG2 3.34Å; S795-V819 PolarHBondContact O-N 2.79Å; G797-V819 PolarHBondContact N-O 3.02Å; V819-T821 HydrophobicContact CG1-CG2 4.18Å |
| 820 | T | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.6 | -179.3 | -43.2 | 0 | 0 | 0 | 0 | 109.3 | V725 Q824 Y825 R903 L907 | V725-T820 PolarHBondContact N-O 3Å; V725-T820 PolarHBondContact O-N 3.34Å; T820-Q824 VanDerWaalsContact CA-OE1 3.3Å; T820-Y825 HydrophobicContact CG2-CE2 4.16Å; T820-R903 HydrophobicContact CG2-CG 4.48Å; T820-R903 WeakPolarHBondContact OG1-CD 3.4Å; T820-R903 PolarHBondContact OG1-NH1 3.3Å; T820-L907 HydrophobicContact CG2-CD1 3.91Å; T820-L907 HydrophobicContact CG2-CD2 4.24Å; T820-L907 HydrophobicContact CG2-CG 4.15Å |
| 821 | T | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 155.1 | -175.5 | 75 | 0 | 0 | 0 | 0 | 111.6 | R723 I724 I780 V819 S823 Q824 Y825 L907 | R723-T821 CarbonylContact O-C 3.44Å; R723-T821 VanDerWaalsContact O-CA 3.27Å; R723-T821 WeakPolarHBondContact O-CA 3.2Å; I724-T821 HydrophobicContact CB-CG2 4.3Å; I724-T821 HydrophobicContact CG1-CG2 3.96Å; I724-T821 HydrophobicContact CG2-CG2 3.98Å; I780-T821 HydrophobicContact CD1-CG2 4.47Å; I780-T821 HydrophobicContact CG1-CG2 4.17Å; I780-T821 HydrophobicContact CG2-CG2 4.06Å; V819-T821 HydrophobicContact CG1-CG2 4.18Å; T821-S823 VanDerWaalsContact C-N 3.33Å; T821-S823 PolarHBondContact OG1-OG 2.97Å; T821-Q824 WeakPolarHBondContact O-CB 3.48Å; T821-Q824 PolarHBondContact O-N 3.4Å; T821-Q824 PolarHBondContact O-OE1 3.3Å; T821-Q824 WeakPolarHBondContact OG1-CG 3.33Å; T821-Q824 PolarHBondContact OG1-N 3.05Å; T821-Y825 WeakPolarHBondContact O-CD2 3.34Å; T821-L907 VanDerWaalsContact O-CD1 3.22Å; T821-L907 WeakPolarHBondContact O-CD1 3.45Å |
| 822 | R | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -62.5 | -40.3 | 170.3 | -81.3 | -172.9 | 177.1 | -162.1 | -0.5 | 112.4 | N722 R723 Q824 Y825 G826 L827 P828 E829 A831 V833 L907 D909 | N722-R822 PolarHBondContact ND2-NH2 3.03Å; R723-R822 VanDerWaalsContact CZ-CZ 3.45Å; R723-R822 VanDerWaalsContact CZ-NH1 3.26Å; R723-R822 PolarHBondContact O-N 3.46Å; R822-Q824 PolarHBondContact O-N 3.47Å; R822-Y825 PolarHBondContact O-N 2.93Å; R822-G826 PolarHBondContact O-N 3.36Å; R822-L827 HydrophobicContact CB-CB 3.78Å; R822-L827 HydrophobicContact CG-CB 3.99Å; R822-L827 HydrophobicContact CG-CD1 4.19Å; R822-L827 PolarHBondContact O-N 3.33Å; R822-P828 WeakPolarHBondContact CD-O 3.36Å; R822-P828 PolarHBondContact NH1-O 2.9Å; R822-E829 WeakPolarHBondContact CB-OE1 3.35Å; R822-A831 PolarHBondContact NH1-O 2.96Å; R822-V833 VanDerWaalsContact CZ-CG2 3.42Å; R822-V833 VanDerWaalsContact NH1-CG2 3.3Å; R822-L907 HydrophobicContact CG-CB 4.21Å; R822-L907 PolarHBondContact NE-O 2.99Å; R822-L907 PolarHBondContact NH2-O 3.22Å; R822-D909 IonicContact CZ-OD2 3.91Å; R822-D909 IonicContact NH1-OD2 2.87Å; R822-D909 VanDerWaalsContact NH2-CG 3.31Å; R822-D909 IonicContact NH2-OD1 3.58Å; R822-D909 PolarHBondContact NH2-OD1 3.02Å; R822-D909 IonicContact NH2-OD2 2.63Å; R822-D909 PolarHBondContact NH2-OD2 3.09Å |
| 823 | S | 96.4 | Very high | 97.2 | Very high | 56 Ų | 56 | 31.2 Ų | 31.2 | 39% | 0.392 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -54.5 | -34.6 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | T821 Y825 G826 E829 | T821-S823 VanDerWaalsContact C-N 3.33Å; T821-S823 PolarHBondContact OG1-OG 2.97Å; S823-Y825 PolarHBondContact O-N 3.33Å; S823-Y825 VanDerWaalsContact O-N 3.14Å; S823-G826 PolarHBondContact O-N 3.26Å; S823-G826 VanDerWaalsContact O-N 3.14Å; S823-E829 PolarHBondContact N-OE1 2.88Å; S823-E829 VanDerWaalsContact N-OE1 3.1Å |
| 824 | Q | 97.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -57 | -28.6 | 175.7 | -79.1 | 168.4 | -36.4 | 0 | 0 | 113.6 | I780 N796 L798 T820 T821 R822 | I780-Q824 HydrophobicContact CG2-CG 3.83Å; N796-Q824 PolarHBondContact OD1-NE2 3.36Å; L798-Q824 HydrophobicContact CD1-CB 3.95Å; L798-Q824 HydrophobicContact CD1-CG 3.97Å; L798-Q824 HydrophobicContact CG-CB 4.3Å; L798-Q824 HydrophobicContact CG-CG 4.24Å; T820-Q824 VanDerWaalsContact CA-OE1 3.3Å; T821-Q824 WeakPolarHBondContact O-CB 3.48Å; T821-Q824 PolarHBondContact O-N 3.4Å; T821-Q824 PolarHBondContact O-OE1 3.3Å; T821-Q824 WeakPolarHBondContact OG1-CG 3.33Å; T821-Q824 PolarHBondContact OG1-N 3.05Å; R822-Q824 PolarHBondContact O-N 3.47Å |
| 825 | Y | 97.9 | Very high | 97.3 | Very high | 21 Ų | 21 | 29 Ų | 29 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -110.9 | 10.7 | -177.3 | -55.6 | -79.5 | 0 | 0 | 0 | 112.6 | L798 T820 T821 R822 S823 L827 W864 E900 R904 L907 | L798-Y825 HydrophobicContact CD2-CE1 3.77Å; T820-Y825 HydrophobicContact CG2-CE2 4.16Å; T821-Y825 WeakPolarHBondContact O-CD2 3.34Å; R822-Y825 PolarHBondContact O-N 2.93Å; S823-Y825 PolarHBondContact O-N 3.33Å; S823-Y825 VanDerWaalsContact O-N 3.14Å; Y825-L827 PolarHBondContact O-N 3.21Å; Y825-W864 HydrophobicContact CD1-CH2 4.37Å; Y825-W864 AromaticContact CD1-CZ2 3.76Å; Y825-W864 HydrophobicContact CD1-CZ2 3.76Å; Y825-W864 AromaticContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CZ2 4.04Å; Y825-W864 HydrophobicContact CE1-CZ2 4.32Å; Y825-W864 HydrophobicContact CE2-CH2 4.26Å; Y825-W864 AromaticContact CG-CH2 3.96Å; Y825-W864 HydrophobicContact CG-CH2 3.96Å; Y825-W864 AromaticContact CG-CZ2 3.59Å; Y825-W864 HydrophobicContact CG-CZ2 3.59Å; Y825-E900 WeakPolarHBondContact OH-CG 3.42Å; Y825-E900 PolarHBondContact OH-OE1 2.96Å; Y825-R904 HydrophobicContact CE2-CB 4.05Å; Y825-L907 HydrophobicContact CD2-CD1 3.63Å; Y825-L907 HydrophobicContact CE2-CD1 3.65Å |
| 826 | G | 96.6 | Very high | 97.4 | Very high | 57 Ų | 57 | 19.1 Ų | 19.1 | 59% | 0.588 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 23.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R822 S823 | R822-G826 PolarHBondContact O-N 3.36Å; S823-G826 PolarHBondContact O-N 3.26Å; S823-G826 VanDerWaalsContact O-N 3.14Å |
| 827 | L | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 18.4 Ų | 18.4 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | trans | -82.3 | 143.4 | 179.8 | -64 | 169.5 | 0 | 0 | 0 | 110.9 | R822 Y825 V833 W864 I891 | R822-L827 HydrophobicContact CB-CB 3.78Å; R822-L827 HydrophobicContact CG-CB 3.99Å; R822-L827 HydrophobicContact CG-CD1 4.19Å; R822-L827 PolarHBondContact O-N 3.33Å; Y825-L827 PolarHBondContact O-N 3.21Å; L827-V833 HydrophobicContact CD1-CG1 4.45Å; L827-V833 HydrophobicContact CD2-CG1 4.1Å; L827-V833 HydrophobicContact CD2-CG2 4.49Å; L827-W864 HydrophobicContact CD1-CD2 3.84Å; L827-W864 HydrophobicContact CD1-CE3 3.53Å; L827-W864 HydrophobicContact CD1-CH2 3.87Å; L827-W864 HydrophobicContact CD1-CZ2 4.16Å; L827-W864 HydrophobicContact CD1-CZ3 3.56Å; L827-W864 HydrophobicContact CD2-CB 4.11Å; L827-W864 HydrophobicContact CD2-CD2 3.96Å; L827-W864 HydrophobicContact CD2-CE3 4.33Å; L827-W864 HydrophobicContact CD2-CG 3.87Å; L827-W864 HydrophobicContact CG-CD2 4.43Å; L827-I891 HydrophobicContact CD2-CB 4.27Å; L827-I891 HydrophobicContact CD2-CD1 3.8Å; L827-I891 HydrophobicContact CD2-CG2 4.09Å | ||
| 828 | P | 96.7 | Very high | 97.4 | Very high | 33 Ų | 33 | 18.5 Ų | 18.5 | 21% | 0.214 | 12% | 0.116 | C | C | . | . | trans | -67.7 | 133.5 | 175.6 | 28.3 | -35.2 | 0 | 0 | 0 | 111.6 | R822 A831 V833 V862 | R822-P828 WeakPolarHBondContact CD-O 3.36Å; R822-P828 PolarHBondContact NH1-O 2.9Å; P828-A831 HydrophobicContact CB-CB 3.94Å; P828-A831 HydrophobicContact CG-CB 3.75Å; P828-V833 HydrophobicContact CG-CG2 4.44Å; P828-V862 HydrophobicContact CG-CB 4.49Å; P828-V862 HydrophobicContact CG-CG1 3.94Å; P828-V862 HydrophobicContact CG-CG2 3.68Å | ||
| 829 | E | 93.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 16% | 0.164 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -25 | 179.9 | -60.3 | -66.1 | 168.4 | 0 | 0 | 112.5 | F713 R723 R822 S823 | F713-E829 HydrophobicContact CE1-CB 4.36Å; F713-E829 HydrophobicContact CZ-CB 3.78Å; F713-E829 HydrophobicContact CZ-CG 4.11Å; R723-E829 WeakPolarHBondContact CB-OE2 3.2Å; R723-E829 VanDerWaalsContact CG-OE2 3.24Å; R723-E829 WeakPolarHBondContact CG-OE2 3.48Å; R723-E829 PolarHBondContact NE-O 3.27Å; R723-E829 PolarHBondContact NH2-O 3.45Å; R822-E829 WeakPolarHBondContact CB-OE1 3.35Å; S823-E829 PolarHBondContact N-OE1 2.88Å; S823-E829 VanDerWaalsContact N-OE1 3.1Å |
| 830 | D | 92.2 | Very high | 97.3 | Very high | 110 Ų | 110 | 22.6 Ų | 22.6 | 59% | 0.588 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 17.3 | -171 | 58.5 | -10.9 | 0 | 0 | 0 | 114.4 | ||
| 831 | A | 95.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 7% | 0.066 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -124 | 163.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R723 R822 P828 N860 | R723-A831 PolarHBondContact NH2-O 2.94Å; R822-A831 PolarHBondContact NH1-O 2.96Å; P828-A831 HydrophobicContact CB-CB 3.94Å; P828-A831 HydrophobicContact CG-CB 3.75Å; A831-N860 HydrophobicContact CB-CB 4.04Å; A831-N860 WeakPolarHBondContact CB-O 3.32Å |
| 832 | I | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 7% | 0.067 | 14% | 0.143 | C | C | . | . | trans | -72.3 | 130.5 | 167.7 | -68.3 | -64 | 0 | 0 | 0 | 109.7 | Y834 V858 S861 V862 D909 G974 L977 L980 | I832-Y834 HydrophobicContact CG2-CD2 4Å; I832-Y834 HydrophobicContact CG2-CE1 4.5Å; I832-Y834 HydrophobicContact CG2-CE2 3.66Å; I832-V858 HydrophobicContact CB-CG1 4.47Å; I832-S861 CarbonylContact O-C 3.58Å; I832-S861 WeakPolarHBondContact O-CA 3.41Å; I832-V862 PolarHBondContact O-N 2.91Å; I832-D909 VanDerWaalsContact CA-OD2 3.31Å; I832-D909 WeakPolarHBondContact CA-OD2 3.48Å; I832-D909 HydrophobicContact CD1-CB 4.17Å; I832-D909 HydrophobicContact CG2-CB 4.24Å; I832-G974 WeakPolarHBondContact CG1-O 3.31Å; I832-L977 HydrophobicContact CD1-CD2 3.94Å; I832-L980 HydrophobicContact CD1-CD2 3.73Å | ||
| 833 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 105.4 | 175.5 | 178 | 0 | 0 | 0 | 0 | 108 | R822 L827 P828 V862 W864 A908 D909 V910 | R822-V833 VanDerWaalsContact CZ-CG2 3.42Å; R822-V833 VanDerWaalsContact NH1-CG2 3.3Å; L827-V833 HydrophobicContact CD1-CG1 4.45Å; L827-V833 HydrophobicContact CD2-CG1 4.1Å; L827-V833 HydrophobicContact CD2-CG2 4.49Å; P828-V833 HydrophobicContact CG-CG2 4.44Å; V833-V862 HydrophobicContact CB-CG2 4.26Å; V833-V862 HydrophobicContact CG1-CG2 4.31Å; V833-V862 HydrophobicContact CG2-CG2 3.7Å; V833-W864 HydrophobicContact CG1-CB 3.99Å; V833-W864 HydrophobicContact CG1-CE3 4.28Å; V833-A908 HydrophobicContact CG1-CB 4.33Å; V833-D909 PolarHBondContact N-OD2 2.99Å; V833-D909 PolarHBondContact O-N 3.07Å; V833-V910 PolarHBondContact O-N 3.2Å |
| 834 | Y | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 146.3 | 161.9 | -67.5 | -76.1 | 0 | 0 | 0 | 109.2 | I832 I854 L855 V858 V862 L863 W864 V910 L912 A970 G974 | I832-Y834 HydrophobicContact CG2-CD2 4Å; I832-Y834 HydrophobicContact CG2-CE1 4.5Å; I832-Y834 HydrophobicContact CG2-CE2 3.66Å; Y834-I854 HydrophobicContact CD2-CG2 4.39Å; Y834-I854 HydrophobicContact CE1-CG2 4.29Å; Y834-I854 HydrophobicContact CE2-CG2 3.76Å; Y834-L855 HydrophobicContact CD2-CD2 4.02Å; Y834-V858 HydrophobicContact CE2-CG2 4.41Å; Y834-V862 PolarHBondContact N-O 3.4Å; Y834-L863 CarbonylContact O-C 3.55Å; Y834-L863 WeakPolarHBondContact O-CA 3.45Å; Y834-W864 PolarHBondContact O-N 3.49Å; Y834-V910 CarbonylContact C-O 3.54Å; Y834-V910 VanDerWaalsContact CA-O 3.23Å; Y834-V910 WeakPolarHBondContact CA-O 3.32Å; Y834-V910 HydrophobicContact CD1-CB 3.7Å; Y834-V910 HydrophobicContact CD1-CG1 4Å; Y834-V910 HydrophobicContact CE1-CB 3.82Å; Y834-V910 HydrophobicContact CE1-CG1 4.02Å; Y834-V910 HydrophobicContact CE1-CG2 4.2Å; Y834-L912 HydrophobicContact CD1-CD1 3.87Å; Y834-L912 HydrophobicContact CD1-CD2 3.62Å; Y834-L912 HydrophobicContact CD1-CG 3.68Å; Y834-L912 HydrophobicContact CE1-CD2 4.03Å; Y834-L912 HydrophobicContact CG-CD1 3.88Å; Y834-L912 HydrophobicContact CG-CD2 4.46Å; Y834-L912 HydrophobicContact CG-CG 4.11Å; Y834-A970 HydrophobicContact CE1-CB 4.27Å; Y834-A970 PolarHBondContact OH-O 3.02Å; Y834-G974 VanDerWaalsContact OH-CA 3.27Å; Y834-G974 WeakPolarHBondContact OH-CA 3.45Å; Y834-G974 PolarHBondContact OH-N 2.96Å |
| 835 | C | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.5 | 173.9 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | F837 W864 A908 V910 C911 L912 | C835-F837 HydrophobicContact CB-CD1 4.37Å; C835-F837 HydrophobicContact CB-CE1 3.74Å; C835-F837 HydrophobicContact CB-CE2 4.47Å; C835-F837 HydrophobicContact CB-CZ 3.8Å; C835-W864 WeakPolarHBondContact CA-O 3.37Å; C835-W864 HydrophobicContact CB-CB 4.14Å; C835-W864 HydrophobicContact CB-CE3 4.46Å; C835-A908 HydrophobicContact CB-CB 3.76Å; C835-A908 WeakPolarHBondContact SG-CB 3.05Å; C835-V910 PolarHBondContact N-O 3.09Å; C835-C911 CarbonylContact O-C 3.42Å; C835-C911 VanDerWaalsContact O-CA 3.3Å; C835-C911 WeakPolarHBondContact O-CA 3.43Å; C835-L912 PolarHBondContact O-N 3.27Å |
| 836 | N | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | trans | -147.6 | 125.2 | 159.1 | -177.3 | -52.7 | 0 | 0 | 0 | 107.8 | N838 W851 W864 L865 L912 | N836-N838 PolarHBondContact ND2-ND2 3.39Å; N836-N838 VanDerWaalsContact OD1-CB 3.27Å; N836-N838 WeakPolarHBondContact OD1-CB 3.49Å; N836-N838 PolarHBondContact OD1-N 3.03Å; N836-N838 PolarHBondContact OD1-ND2 3.41Å; N836-W851 HydrophobicContact CB-CH2 3.83Å; N836-W851 HydrophobicContact CB-CZ2 4.27Å; N836-W864 PolarHBondContact N-O 3.11Å; N836-L865 HydrophobicContact CB-CD2 4Å; N836-L912 WeakPolarHBondContact CB-O 3.49Å; N836-L912 PolarHBondContact ND2-O 3.41Å | ||
| 837 | F | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | trans | -112.6 | 21.2 | -174.4 | -59.4 | -28.4 | 0 | 0 | 0 | 114.4 | C835 W864 L866 H901 R904 T922 | C835-F837 HydrophobicContact CB-CD1 4.37Å; C835-F837 HydrophobicContact CB-CE1 3.74Å; C835-F837 HydrophobicContact CB-CE2 4.47Å; C835-F837 HydrophobicContact CB-CZ 3.8Å; F837-W864 HydrophobicContact CE1-CB 4.47Å; F837-W864 AromaticContact CE1-CD2 3.63Å; F837-W864 HydrophobicContact CE1-CD2 3.63Å; F837-W864 AromaticContact CE1-CE2 4Å; F837-W864 AromaticContact CE1-CE3 3.85Å; F837-W864 HydrophobicContact CE1-CE3 3.85Å; F837-W864 AromaticContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CZ3 4.37Å; F837-W864 AromaticContact CZ-CD2 3.73Å; F837-W864 HydrophobicContact CZ-CD2 3.73Å; F837-W864 AromaticContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CE3 3.45Å; F837-W864 VanDerWaalsContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CG 4.45Å; F837-W864 HydrophobicContact CZ-CH2 4.06Å; F837-W864 HydrophobicContact CZ-CZ2 4.29Å; F837-W864 AromaticContact CZ-CZ3 3.62Å; F837-W864 HydrophobicContact CZ-CZ3 3.62Å; F837-L866 HydrophobicContact CB-CD1 3.74Å; F837-L866 HydrophobicContact CB-CG 4.03Å; F837-L866 HydrophobicContact CD1-CD1 4.29Å; F837-L866 HydrophobicContact CD1-CD2 3.6Å; F837-L866 HydrophobicContact CD1-CG 3.76Å; F837-L866 HydrophobicContact CE1-CD2 4.02Å; F837-L866 HydrophobicContact CG-CD1 4.22Å; F837-L866 HydrophobicContact CG-CD2 4.26Å; F837-L866 HydrophobicContact CG-CG 4.19Å; F837-H901 VanDerWaalsContact CB-CE1 3.45Å; F837-H901 WeakPolarHBondContact CB-CE1 3.39Å; F837-R904 HydrophobicContact CE2-CG 4.31Å; F837-T922 HydrophobicContact CB-CG2 3.93Å | ||
| 838 | N | 97.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -73.3 | 166.4 | 172.7 | -70.8 | -80.6 | 0 | 0 | 0 | 111.7 | N836 K842 G919 T922 | N836-N838 PolarHBondContact ND2-ND2 3.39Å; N836-N838 VanDerWaalsContact OD1-CB 3.27Å; N836-N838 WeakPolarHBondContact OD1-CB 3.49Å; N836-N838 PolarHBondContact OD1-N 3.03Å; N836-N838 PolarHBondContact OD1-ND2 3.41Å; N838-K842 HydrophobicContact CB-CB 4.45Å; N838-K842 HydrophobicContact CB-CD 3.79Å; N838-K842 HydrophobicContact CB-CG 4.37Å; N838-K842 PolarHBondContact OD1-NZ 2.97Å; N838-G919 WeakPolarHBondContact OD1-CA 3.41Å; N838-T922 PolarHBondContact OD1-OG1 2.98Å |
| 839 | Q | 97.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 22.7 Ų | 22.7 | 39% | 0.393 | 12% | 0.118 | S | C | . | . | trans | -60 | 144.4 | 162 | -69.7 | -176.8 | 46.6 | 0 | 0 | 110.5 | Y841 K842 F868 | Q839-Y841 HydrophobicContact CB-CD1 3.41Å; Q839-Y841 VanDerWaalsContact CB-CD1 3.41Å; Q839-Y841 HydrophobicContact CB-CE1 3.46Å; Q839-Y841 VanDerWaalsContact CB-CE1 3.46Å; Q839-Y841 HydrophobicContact CG-CD1 4.34Å; Q839-Y841 HydrophobicContact CG-CE1 4.1Å; Q839-Y841 PolarHBondContact O-N 3.26Å; Q839-Y841 VanDerWaalsContact O-N 3.16Å; Q839-K842 PolarHBondContact O-N 3.01Å; Q839-F868 HydrophobicContact CB-CD2 4.21Å; Q839-F868 HydrophobicContact CB-CE2 4.47Å; Q839-F868 HydrophobicContact CB-CG 4.38Å; Q839-F868 HydrophobicContact CG-CD1 3.92Å; Q839-F868 HydrophobicContact CG-CD2 3.43Å; Q839-F868 VanDerWaalsContact CG-CD2 3.43Å; Q839-F868 HydrophobicContact CG-CE1 3.8Å; Q839-F868 HydrophobicContact CG-CE2 3.28Å; Q839-F868 HydrophobicContact CG-CG 3.76Å; Q839-F868 HydrophobicContact CG-CZ 3.49Å; Q839-F868 VanDerWaalsContact CG-CZ 3.49Å | ||
| 840 | L | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -61.5 | -28.3 | -172.9 | -66.8 | -177.8 | 0 | 0 | 0 | 113.1 | C467 K842 I843 F868 P869 F892 | C467-L840 PolarHBondContact SG-O 3.21Å; L840-K842 PolarHBondContact O-N 3.43Å; L840-I843 HydrophobicContact CD2-CD1 3.86Å; L840-I843 WeakPolarHBondContact O-CB 3.49Å; L840-I843 PolarHBondContact O-N 3.07Å; L840-F868 WeakPolarHBondContact CG-O 3.41Å; L840-F868 PolarHBondContact N-O 2.99Å; L840-P869 WeakPolarHBondContact CD1-O 3.37Å; L840-F892 HydrophobicContact CD2-CE1 4.45Å |
| 841 | Y | 97.5 | Very high | 98.3 | Very high | 26 Ų | 26 | 16 Ų | 16 | 10% | 0.102 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -57.1 | -19.3 | 179.5 | 81 | -100.5 | 0 | 0 | 0 | 114.5 | Q464 L502 Q839 I843 | Q464-Y841 PolarHBondContact NE2-O 3.09Å; Q464-Y841 WeakPolarHBondContact O-CA 3.49Å; L502-Y841 HydrophobicContact CD1-CD2 3.72Å; L502-Y841 HydrophobicContact CD1-CE2 4.25Å; L502-Y841 HydrophobicContact CD2-CD2 3.6Å; L502-Y841 HydrophobicContact CD2-CE2 3.75Å; L502-Y841 HydrophobicContact CG-CD2 4.32Å; Q839-Y841 HydrophobicContact CB-CD1 3.41Å; Q839-Y841 VanDerWaalsContact CB-CD1 3.41Å; Q839-Y841 HydrophobicContact CB-CE1 3.46Å; Q839-Y841 VanDerWaalsContact CB-CE1 3.46Å; Q839-Y841 HydrophobicContact CG-CD1 4.34Å; Q839-Y841 HydrophobicContact CG-CE1 4.1Å; Q839-Y841 PolarHBondContact O-N 3.26Å; Q839-Y841 VanDerWaalsContact O-N 3.16Å; Y841-I843 VanDerWaalsContact C-N 3.27Å |
| 842 | K | 98.4 | Very high | 98.4 | Very high | 17 Ų | 17 | 15.7 Ų | 15.7 | 7% | 0.074 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -78.9 | -10.1 | 176.8 | -57.8 | -165.1 | -173.8 | -179.6 | 0 | 113.7 | N838 Q839 L840 T914 C917 N918 | N838-K842 HydrophobicContact CB-CB 4.45Å; N838-K842 HydrophobicContact CB-CD 3.79Å; N838-K842 HydrophobicContact CB-CG 4.37Å; N838-K842 PolarHBondContact OD1-NZ 2.97Å; Q839-K842 PolarHBondContact O-N 3.01Å; L840-K842 PolarHBondContact O-N 3.43Å; K842-T914 HydrophobicContact CB-CG2 4.16Å; K842-T914 WeakPolarHBondContact O-CB 3.26Å; K842-T914 WeakPolarHBondContact O-CG2 3.21Å; K842-C917 HydrophobicContact CB-CB 4.32Å; K842-C917 HydrophobicContact CD-CB 3.89Å; K842-C917 WeakPolarHBondContact CD-O 3.44Å; K842-C917 WeakPolarHBondContact CD-SG 3.5Å; K842-C917 WeakPolarHBondContact CE-SG 3.33Å; K842-C917 HydrophobicContact CG-CB 3.98Å; K842-N918 PolarHBondContact NZ-O 3.45Å |
| 843 | I | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | trans | -92.5 | 130.4 | 178.4 | -50.5 | 172.7 | 0 | 0 | 0 | 108.6 | Q464 W469 L840 Y841 L848 W851 T914 | Q464-I843 PolarHBondContact NE2-O 3.07Å; W469-I843 HydrophobicContact CH2-CG2 3.87Å; W469-I843 HydrophobicContact CZ2-CB 4.3Å; W469-I843 HydrophobicContact CZ2-CG2 3.81Å; L840-I843 HydrophobicContact CD2-CD1 3.86Å; L840-I843 WeakPolarHBondContact O-CB 3.49Å; L840-I843 PolarHBondContact O-N 3.07Å; Y841-I843 VanDerWaalsContact C-N 3.27Å; I843-L848 HydrophobicContact CG2-CB 4.34Å; I843-W851 HydrophobicContact CD1-CH2 4.25Å; I843-W851 HydrophobicContact CD1-CZ3 3.94Å; I843-W851 HydrophobicContact CG1-CH2 4.1Å; I843-W851 HydrophobicContact CG1-CZ3 4.17Å; I843-W851 HydrophobicContact CG2-CZ3 4.3Å; I843-T914 HydrophobicContact CG1-CG2 4.18Å | ||
| 844 | D | 98.2 | Very high | 98.4 | Very high | 20 Ų | 20 | 17.3 Ų | 17.3 | 11% | 0.107 | 9% | 0.089 | C | C | . | . | trans | -117.1 | 168.3 | 170.5 | 77.4 | -27.8 | 0 | 0 | 0 | 110.5 | S846 T847 L848 L916 | D844-S846 VanDerWaalsContact CG-OG 3.31Å; D844-S846 PolarHBondContact O-N 3.38Å; D844-S846 PolarHBondContact OD1-OG 3.1Å; D844-S846 PolarHBondContact OD2-OG 2.91Å; D844-T847 PolarHBondContact O-N 3.2Å; D844-T847 WeakPolarHBondContact OD1-CA 3.39Å; D844-T847 WeakPolarHBondContact OD1-CB 3.47Å; D844-T847 PolarHBondContact OD1-N 2.86Å; D844-T847 PolarHBondContact OD1-OG1 3.4Å; D844-L848 PolarHBondContact O-N 3.5Å; D844-L848 VanDerWaalsContact O-N 3.11Å; D844-L916 HydrophobicContact CB-CD2 4.26Å | ||
| 845 | P | 98.5 | Very high | 98.4 | Very high | 34 Ų | 34 | 17.3 Ų | 17.3 | 22% | 0.221 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.7 | -37.1 | 179.2 | -26.1 | 33.3 | 0 | 0 | 0 | 113.1 | W469 Y472 L848 Q849 | W469-P845 HydrophobicContact CB-CG 3.93Å; W469-P845 HydrophobicContact CD2-CB 4.41Å; W469-P845 HydrophobicContact CD2-CG 3.63Å; W469-P845 HydrophobicContact CE3-CB 4.16Å; W469-P845 HydrophobicContact CE3-CG 3.86Å; W469-P845 HydrophobicContact CG-CG 3.67Å; Y472-P845 HydrophobicContact CD1-CG 3.98Å; Y472-P845 HydrophobicContact CD2-CG 4.25Å; Y472-P845 HydrophobicContact CE1-CG 4.25Å; Y472-P845 HydrophobicContact CG-CG 3.98Å; P845-L848 PolarHBondContact O-N 2.92Å; P845-Q849 WeakPolarHBondContact O-CB 3.41Å; P845-Q849 PolarHBondContact O-N 3.27Å |
| 846 | S | 97.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 22.6 Ų | 22.6 | 25% | 0.252 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -68.7 | -37.9 | -177.4 | 81.8 | 0 | 0 | 0 | 0 | 112.4 | D844 M850 | D844-S846 VanDerWaalsContact CG-OG 3.31Å; D844-S846 PolarHBondContact O-N 3.38Å; D844-S846 PolarHBondContact OD1-OG 3.1Å; D844-S846 PolarHBondContact OD2-OG 2.91Å; S846-M850 WeakPolarHBondContact O-CB 3.48Å; S846-M850 PolarHBondContact O-N 3.45Å |
| 847 | T | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68 | -45 | 174.4 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | D844 Q849 M850 W851 T914 | D844-T847 PolarHBondContact O-N 3.2Å; D844-T847 WeakPolarHBondContact OD1-CA 3.39Å; D844-T847 WeakPolarHBondContact OD1-CB 3.47Å; D844-T847 PolarHBondContact OD1-N 2.86Å; D844-T847 PolarHBondContact OD1-OG1 3.4Å; T847-Q849 VanDerWaalsContact C-N 3.29Å; T847-Q849 PolarHBondContact O-N 3.42Å; T847-M850 HydrophobicContact CG2-CE 4.45Å; T847-M850 WeakPolarHBondContact O-CB 3.25Å; T847-M850 PolarHBondContact O-N 2.9Å; T847-W851 HydrophobicContact CG2-CD2 3.94Å; T847-W851 HydrophobicContact CG2-CE3 4.44Å; T847-W851 HydrophobicContact CG2-CH2 4.03Å; T847-W851 HydrophobicContact CG2-CZ2 3.46Å; T847-W851 VanDerWaalsContact CG2-CZ2 3.46Å; T847-W851 HydrophobicContact CG2-CZ3 4.48Å; T847-W851 VanDerWaalsContact O-CG 3.32Å; T847-W851 PolarHBondContact O-N 3.45Å; T847-T914 HydrophobicContact CG2-CG2 4.2Å |
| 848 | L | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -36.1 | 178.4 | -171.2 | 67.7 | 0 | 0 | 0 | 111.6 | W469 I843 D844 P845 W851 A852 I876 M883 | W469-L848 HydrophobicContact CH2-CB 3.76Å; W469-L848 HydrophobicContact CH2-CD2 3.74Å; W469-L848 HydrophobicContact CH2-CG 4.34Å; W469-L848 HydrophobicContact CZ3-CB 4.02Å; W469-L848 HydrophobicContact CZ3-CD2 3.56Å; W469-L848 HydrophobicContact CZ3-CG 4.43Å; I843-L848 HydrophobicContact CG2-CB 4.34Å; D844-L848 PolarHBondContact O-N 3.5Å; D844-L848 VanDerWaalsContact O-N 3.11Å; P845-L848 PolarHBondContact O-N 2.92Å; L848-W851 HydrophobicContact CD1-CE3 4.14Å; L848-W851 PolarHBondContact O-N 2.92Å; L848-A852 WeakPolarHBondContact O-CB 3.34Å; L848-A852 PolarHBondContact O-N 3.36Å; L848-I876 HydrophobicContact CD1-CG2 4.48Å; L848-I876 HydrophobicContact CD2-CG2 4.44Å; L848-M883 HydrophobicContact CB-CE 4.16Å; L848-M883 HydrophobicContact CB-SD 4.17Å; L848-M883 HydrophobicContact CD2-CE 4.16Å; L848-M883 HydrophobicContact CD2-SD 3.97Å; L848-M883 HydrophobicContact CG-CE 4.28Å; L848-M883 HydrophobicContact CG-SD 3.81Å |
| 849 | Q | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 33% | 0.332 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.8 | -176.7 | 60.4 | 69.3 | 0 | 0 | 111.9 | P845 T847 W851 A852 N853 M883 | P845-Q849 WeakPolarHBondContact O-CB 3.41Å; P845-Q849 PolarHBondContact O-N 3.27Å; T847-Q849 VanDerWaalsContact C-N 3.29Å; T847-Q849 PolarHBondContact O-N 3.42Å; Q849-W851 VanDerWaalsContact C-N 3.33Å; Q849-W851 PolarHBondContact O-N 2.97Å; Q849-A852 PolarHBondContact O-N 2.98Å; Q849-N853 PolarHBondContact NE2-OD1 3.17Å; Q849-N853 VanDerWaalsContact O-CG 3.24Å; Q849-N853 PolarHBondContact O-N 3.47Å; Q849-N853 PolarHBondContact O-OD1 3.33Å; Q849-M883 HydrophobicContact CB-CE 4.2Å; Q849-M883 HydrophobicContact CB-SD 4.23Å |
| 850 | M | 98.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 175.4 | -170.4 | 174.2 | 59.8 | 0 | 0 | 111.1 | S846 T847 A852 N853 I854 P915 R963 Y966 E967 | S846-M850 WeakPolarHBondContact O-CB 3.48Å; S846-M850 PolarHBondContact O-N 3.45Å; T847-M850 HydrophobicContact CG2-CE 4.45Å; T847-M850 WeakPolarHBondContact O-CB 3.25Å; T847-M850 PolarHBondContact O-N 2.9Å; M850-A852 PolarHBondContact O-N 3.49Å; M850-N853 WeakPolarHBondContact O-CB 3.4Å; M850-N853 PolarHBondContact O-N 3Å; M850-I854 WeakPolarHBondContact O-CG1 3.4Å; M850-I854 PolarHBondContact O-N 3.12Å; M850-I854 VanDerWaalsContact O-N 3.07Å; M850-P915 HydrophobicContact CE-CG 4.03Å; M850-R963 HydrophobicContact SD-CB 3.97Å; M850-R963 HydrophobicContact SD-CG 4.21Å; M850-Y966 HydrophobicContact CE-CD1 3.42Å; M850-Y966 VanDerWaalsContact CE-CD1 3.42Å; M850-Y966 HydrophobicContact CE-CD2 4.09Å; M850-Y966 HydrophobicContact CE-CE1 3.42Å; M850-Y966 VanDerWaalsContact CE-CE1 3.42Å; M850-Y966 HydrophobicContact CE-CE2 4.04Å; M850-Y966 HydrophobicContact CE-CG 3.79Å; M850-Y966 HydrophobicContact CG-CD1 3.97Å; M850-Y966 HydrophobicContact CG-CE1 4.43Å; M850-Y966 HydrophobicContact SD-CD1 3.42Å; M850-Y966 WeakPolarHBondContact SD-CD1 3.48Å; M850-Y966 HydrophobicContact SD-CD2 4.46Å; M850-Y966 HydrophobicContact SD-CE1 4.06Å; M850-Y966 HydrophobicContact SD-CG 3.68Å; M850-E967 HydrophobicContact CG-CG 3.41Å; M850-E967 VanDerWaalsContact CG-CG 3.41Å; M850-E967 HydrophobicContact SD-CG 4.48Å |
| 851 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -37.4 | 175 | -63.1 | -9.4 | 0 | 0 | 0 | 112.6 | N836 I843 T847 L848 Q849 N853 I854 L855 L863 L865 L912 T914 Y966 | N836-W851 HydrophobicContact CB-CH2 3.83Å; N836-W851 HydrophobicContact CB-CZ2 4.27Å; I843-W851 HydrophobicContact CD1-CH2 4.25Å; I843-W851 HydrophobicContact CD1-CZ3 3.94Å; I843-W851 HydrophobicContact CG1-CH2 4.1Å; I843-W851 HydrophobicContact CG1-CZ3 4.17Å; I843-W851 HydrophobicContact CG2-CZ3 4.3Å; T847-W851 HydrophobicContact CG2-CD2 3.94Å; T847-W851 HydrophobicContact CG2-CE3 4.44Å; T847-W851 HydrophobicContact CG2-CH2 4.03Å; T847-W851 HydrophobicContact CG2-CZ2 3.46Å; T847-W851 VanDerWaalsContact CG2-CZ2 3.46Å; T847-W851 HydrophobicContact CG2-CZ3 4.48Å; T847-W851 VanDerWaalsContact O-CG 3.32Å; T847-W851 PolarHBondContact O-N 3.45Å; L848-W851 HydrophobicContact CD1-CE3 4.14Å; L848-W851 PolarHBondContact O-N 2.92Å; Q849-W851 VanDerWaalsContact C-N 3.33Å; Q849-W851 PolarHBondContact O-N 2.97Å; W851-N853 VanDerWaalsContact C-N 3.33Å; W851-N853 PolarHBondContact O-N 3.28Å; W851-I854 WeakPolarHBondContact O-CB 3.4Å; W851-I854 PolarHBondContact O-N 3Å; W851-L855 WeakPolarHBondContact O-CB 3.24Å; W851-L855 VanDerWaalsContact O-CG 3.32Å; W851-L855 WeakPolarHBondContact O-CG 3.35Å; W851-L855 PolarHBondContact O-N 2.86Å; W851-L863 HydrophobicContact CB-CD2 4.49Å; W851-L863 HydrophobicContact CD2-CD2 4.29Å; W851-L863 HydrophobicContact CE3-CD2 3.53Å; W851-L863 HydrophobicContact CZ3-CD2 4.1Å; W851-L865 HydrophobicContact CZ3-CD2 4.11Å; W851-L912 HydrophobicContact CD2-CD1 4.42Å; W851-L912 HydrophobicContact CG-CD1 3.99Å; W851-L912 HydrophobicContact CZ2-CB 4.18Å; W851-T914 HydrophobicContact CH2-CG2 3.85Å; W851-T914 HydrophobicContact CZ2-CG2 3.88Å; W851-Y966 PolarHBondContact NE1-OH 3.44Å |
| 852 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L848 Q849 M850 L855 K856 M883 L885 | L848-A852 WeakPolarHBondContact O-CB 3.34Å; L848-A852 PolarHBondContact O-N 3.36Å; Q849-A852 PolarHBondContact O-N 2.98Å; M850-A852 PolarHBondContact O-N 3.49Å; A852-L855 PolarHBondContact O-N 3.14Å; A852-K856 WeakPolarHBondContact O-CB 3.37Å; A852-K856 VanDerWaalsContact O-CG 3.28Å; A852-K856 WeakPolarHBondContact O-CG 3.27Å; A852-K856 PolarHBondContact O-N 3.28Å; A852-M883 HydrophobicContact CB-CB 4.02Å; A852-M883 HydrophobicContact CB-SD 4.3Å; A852-L885 HydrophobicContact CB-CD1 3.69Å; A852-L885 HydrophobicContact CB-CD2 4.39Å; A852-L885 HydrophobicContact CB-CG 3.93Å |
| 853 | N | 98.7 | Very high | 98.4 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 25% | 0.251 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 174 | -64.9 | -15 | 0 | 0 | 0 | 111.4 | Q849 M850 W851 K856 R857 E967 | Q849-N853 PolarHBondContact NE2-OD1 3.17Å; Q849-N853 VanDerWaalsContact O-CG 3.24Å; Q849-N853 PolarHBondContact O-N 3.47Å; Q849-N853 PolarHBondContact O-OD1 3.33Å; M850-N853 WeakPolarHBondContact O-CB 3.4Å; M850-N853 PolarHBondContact O-N 3Å; W851-N853 VanDerWaalsContact C-N 3.33Å; W851-N853 PolarHBondContact O-N 3.28Å; N853-K856 PolarHBondContact O-N 2.69Å; N853-R857 WeakPolarHBondContact O-CB 3.5Å; N853-R857 WeakPolarHBondContact O-CD 3.4Å; N853-R857 VanDerWaalsContact O-CG 3.24Å; N853-R857 WeakPolarHBondContact O-CG 3.3Å; N853-R857 PolarHBondContact O-N 3.2Å; N853-R857 VanDerWaalsContact O-N 3.09Å; N853-E967 WeakPolarHBondContact CB-OE1 3.45Å; N853-E967 WeakPolarHBondContact CB-OE2 3.3Å; N853-E967 PolarHBondContact ND2-OE1 2.93Å |
| 854 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.8 | -52.9 | 174.3 | -66.9 | 160.8 | 0 | 0 | 0 | 110.4 | Y834 M850 W851 K856 R857 V858 L912 Y966 E967 A970 V971 | Y834-I854 HydrophobicContact CD2-CG2 4.39Å; Y834-I854 HydrophobicContact CE1-CG2 4.29Å; Y834-I854 HydrophobicContact CE2-CG2 3.76Å; M850-I854 WeakPolarHBondContact O-CG1 3.4Å; M850-I854 PolarHBondContact O-N 3.12Å; M850-I854 VanDerWaalsContact O-N 3.07Å; W851-I854 WeakPolarHBondContact O-CB 3.4Å; W851-I854 PolarHBondContact O-N 3Å; I854-K856 VanDerWaalsContact C-N 3.3Å; I854-K856 PolarHBondContact O-N 3.21Å; I854-R857 PolarHBondContact O-N 2.94Å; I854-V858 HydrophobicContact CG2-CG2 4.48Å; I854-V858 WeakPolarHBondContact O-CG2 3.13Å; I854-V858 PolarHBondContact O-N 3.2Å; I854-L912 HydrophobicContact CD1-CD1 4.32Å; I854-L912 HydrophobicContact CD1-CD2 4.33Å; I854-Y966 HydrophobicContact CD1-CD1 3.96Å; I854-Y966 HydrophobicContact CD1-CE1 3.74Å; I854-E967 HydrophobicContact CD1-CG 4.38Å; I854-E967 HydrophobicContact CG1-CB 3.94Å; I854-E967 HydrophobicContact CG1-CG 4.01Å; I854-A970 HydrophobicContact CD1-CB 3.52Å; I854-A970 HydrophobicContact CG1-CB 3.92Å; I854-A970 HydrophobicContact CG2-CB 4.02Å; I854-V971 HydrophobicContact CB-CG2 4.28Å; I854-V971 HydrophobicContact CG1-CG2 4.28Å; I854-V971 HydrophobicContact CG2-CG2 4.08Å |
| 855 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -36.6 | -178.8 | -70.1 | 177.3 | 0 | 0 | 0 | 112.1 | Y834 W851 A852 R857 V858 S861 L863 L885 R889 | Y834-L855 HydrophobicContact CD2-CD2 4.02Å; W851-L855 WeakPolarHBondContact O-CB 3.24Å; W851-L855 VanDerWaalsContact O-CG 3.32Å; W851-L855 WeakPolarHBondContact O-CG 3.35Å; W851-L855 PolarHBondContact O-N 2.86Å; A852-L855 PolarHBondContact O-N 3.14Å; L855-R857 VanDerWaalsContact C-N 3.31Å; L855-R857 PolarHBondContact O-N 3.47Å; L855-V858 VanDerWaalsContact O-O 3.06Å; L855-S861 WeakPolarHBondContact CD2-OG 3.25Å; L855-L863 HydrophobicContact CD1-CB 3.97Å; L855-L863 HydrophobicContact CD2-CB 4.42Å; L855-L885 HydrophobicContact CB-CD2 3.8Å; L855-L885 HydrophobicContact CD1-CD1 3.67Å; L855-L885 HydrophobicContact CD1-CD2 4.28Å; L855-R889 HydrophobicContact CD1-CB 4.4Å; L855-R889 PolarHBondContact O-NH1 3.01Å; L855-R889 PolarHBondContact O-NH2 3.47Å |
| 856 | K | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 29.3 Ų | 29.3 | 48% | 0.483 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.3 | -33.1 | 174.6 | -74.8 | 173.5 | -177.1 | 178.8 | 0 | 112.9 | A852 N853 I854 M883 L885 | A852-K856 WeakPolarHBondContact O-CB 3.37Å; A852-K856 VanDerWaalsContact O-CG 3.28Å; A852-K856 WeakPolarHBondContact O-CG 3.27Å; A852-K856 PolarHBondContact O-N 3.28Å; N853-K856 PolarHBondContact O-N 2.69Å; I854-K856 VanDerWaalsContact C-N 3.3Å; I854-K856 PolarHBondContact O-N 3.21Å; K856-M883 WeakPolarHBondContact CE-O 3.36Å; K856-M883 PolarHBondContact NZ-O 2.92Å; K856-L885 HydrophobicContact CG-CD2 4.18Å |
| 857 | R | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 31.6 Ų | 31.6 | 37% | 0.366 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -83.1 | -18 | -178.7 | -68.8 | 165.5 | 63 | -172.2 | -2 | 113.4 | N853 I854 L855 E967 D968 V971 | N853-R857 WeakPolarHBondContact O-CB 3.5Å; N853-R857 WeakPolarHBondContact O-CD 3.4Å; N853-R857 VanDerWaalsContact O-CG 3.24Å; N853-R857 WeakPolarHBondContact O-CG 3.3Å; N853-R857 PolarHBondContact O-N 3.2Å; N853-R857 VanDerWaalsContact O-N 3.09Å; I854-R857 PolarHBondContact O-N 2.94Å; L855-R857 VanDerWaalsContact C-N 3.31Å; L855-R857 PolarHBondContact O-N 3.47Å; R857-E967 VanDerWaalsContact NH1-CB 3.34Å; R857-E967 IonicContact NH1-OE2 2.88Å; R857-E967 PolarHBondContact NH1-OE2 3.41Å; R857-D968 IonicContact CZ-OD1 2.94Å; R857-D968 VanDerWaalsContact CZ-OD1 3.28Å; R857-D968 IonicContact NH1-OD1 3.1Å; R857-D968 PolarHBondContact NH1-OD1 3.45Å; R857-D968 IonicContact NH2-OD1 3.4Å; R857-D968 PolarHBondContact NH2-OD1 3.2Å; R857-V971 HydrophobicContact CB-CG1 4.06Å; R857-V971 HydrophobicContact CB-CG2 3.67Å; R857-V971 HydrophobicContact CG-CG2 4.5Å |
| 858 | V | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -112.2 | 105.4 | 178.1 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | I832 Y834 I854 L855 N860 S861 R889 V971 G974 T975 | I832-V858 HydrophobicContact CB-CG1 4.47Å; Y834-V858 HydrophobicContact CE2-CG2 4.41Å; I854-V858 HydrophobicContact CG2-CG2 4.48Å; I854-V858 WeakPolarHBondContact O-CG2 3.13Å; I854-V858 PolarHBondContact O-N 3.2Å; L855-V858 VanDerWaalsContact O-O 3.06Å; V858-N860 PolarHBondContact O-N 2.93Å; V858-S861 WeakPolarHBondContact CB-OG 3.32Å; V858-S861 WeakPolarHBondContact O-CB 3.4Å; V858-S861 PolarHBondContact O-N 3.33Å; V858-S861 PolarHBondContact O-OG 2.73Å; V858-R889 PolarHBondContact O-NH2 3.46Å; V858-V971 HydrophobicContact CG2-CB 4.18Å; V858-V971 HydrophobicContact CG2-CG1 4.08Å; V858-V971 HydrophobicContact CG2-CG2 3.97Å; V858-G974 VanDerWaalsContact CG1-O 3.23Å; V858-G974 WeakPolarHBondContact CG1-O 3.4Å; V858-T975 HydrophobicContact CB-CG2 4.49Å; V858-T975 HydrophobicContact CG1-CG2 4.2Å; V858-T975 HydrophobicContact CG2-CG2 4.04Å |
| 859 | P | 96.7 | Very high | 98.4 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 64% | 0.643 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 139.3 | 179.7 | -27 | 35.1 | 0 | 0 | 0 | 112.8 | S861 | P859-S861 PolarHBondContact O-N 2.93Š|
| 860 | N | 96.7 | Very high | 98.4 | Very high | 129 Ų | 129 | 35.9 Ų | 35.9 | 69% | 0.69 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | -5.2 | 178.8 | -56.2 | -36.7 | 0 | 0 | 0 | 116.8 | A831 V858 | A831-N860 HydrophobicContact CB-CB 4.04Å; A831-N860 WeakPolarHBondContact CB-O 3.32Å; V858-N860 PolarHBondContact O-N 2.93Å |
| 861 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -59 | 148.3 | -177.1 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | I832 L855 V858 P859 R889 | I832-S861 CarbonylContact O-C 3.58Å; I832-S861 WeakPolarHBondContact O-CA 3.41Å; L855-S861 WeakPolarHBondContact CD2-OG 3.25Å; V858-S861 WeakPolarHBondContact CB-OG 3.32Å; V858-S861 WeakPolarHBondContact O-CB 3.4Å; V858-S861 PolarHBondContact O-N 3.33Å; V858-S861 PolarHBondContact O-OG 2.73Å; P859-S861 PolarHBondContact O-N 2.93Å; S861-R889 PolarHBondContact O-NE 3.49Å; S861-R889 PolarHBondContact O-NH2 2.98Å; S861-R889 PolarHBondContact OG-NH2 3.29Å | ||
| 862 | V | 98.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | P828 I832 V833 Y834 R889 I891 | P828-V862 HydrophobicContact CG-CB 4.49Å; P828-V862 HydrophobicContact CG-CG1 3.94Å; P828-V862 HydrophobicContact CG-CG2 3.68Å; I832-V862 PolarHBondContact O-N 2.91Å; V833-V862 HydrophobicContact CB-CG2 4.26Å; V833-V862 HydrophobicContact CG1-CG2 4.31Å; V833-V862 HydrophobicContact CG2-CG2 3.7Å; Y834-V862 PolarHBondContact N-O 3.4Å; V862-R889 CarbonylContact C-O 3.41Å; V862-R889 VanDerWaalsContact CA-O 3.3Å; V862-R889 WeakPolarHBondContact CA-O 3.37Å; V862-I891 HydrophobicContact CB-CD1 4.21Å; V862-I891 HydrophobicContact CG1-CD1 4.32Å; V862-I891 HydrophobicContact CG2-CD1 4.08Å |
| 863 | L | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.6 | 171.6 | 177.6 | 65 | 0 | 0 | 0 | 109.4 | Y834 W851 L855 L865 R889 I890 I891 L912 | Y834-L863 CarbonylContact O-C 3.55Å; Y834-L863 WeakPolarHBondContact O-CA 3.45Å; W851-L863 HydrophobicContact CB-CD2 4.49Å; W851-L863 HydrophobicContact CD2-CD2 4.29Å; W851-L863 HydrophobicContact CE3-CD2 3.53Å; W851-L863 HydrophobicContact CZ3-CD2 4.1Å; L855-L863 HydrophobicContact CD1-CB 3.97Å; L855-L863 HydrophobicContact CD2-CB 4.42Å; L863-L865 HydrophobicContact CD1-CD2 4.1Å; L863-L865 HydrophobicContact CD2-CD1 4.05Å; L863-L865 HydrophobicContact CD2-CD2 4.02Å; L863-L865 HydrophobicContact CD2-CG 4.07Å; L863-L865 HydrophobicContact CG-CD1 4.45Å; L863-L865 HydrophobicContact CG-CD2 3.89Å; L863-L865 HydrophobicContact CG-CG 3.94Å; L863-R889 PolarHBondContact N-O 3.07Å; L863-I890 HydrophobicContact CB-CG1 4.43Å; L863-I890 CarbonylContact O-C 3.53Å; L863-I890 WeakPolarHBondContact O-CA 3.48Å; L863-I891 PolarHBondContact O-N 3.35Å; L863-L912 HydrophobicContact CD1-CD1 4.2Å |
| 864 | W | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 112.2 | 179.2 | -173.6 | 19.4 | 0 | 0 | 0 | 110.7 | Y825 L827 V833 Y834 C835 N836 F837 I891 S893 R904 L907 | Y825-W864 HydrophobicContact CD1-CH2 4.37Å; Y825-W864 AromaticContact CD1-CZ2 3.76Å; Y825-W864 HydrophobicContact CD1-CZ2 3.76Å; Y825-W864 AromaticContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CZ2 4.04Å; Y825-W864 HydrophobicContact CE1-CZ2 4.32Å; Y825-W864 HydrophobicContact CE2-CH2 4.26Å; Y825-W864 AromaticContact CG-CH2 3.96Å; Y825-W864 HydrophobicContact CG-CH2 3.96Å; Y825-W864 AromaticContact CG-CZ2 3.59Å; Y825-W864 HydrophobicContact CG-CZ2 3.59Å; L827-W864 HydrophobicContact CD1-CD2 3.84Å; L827-W864 HydrophobicContact CD1-CE3 3.53Å; L827-W864 HydrophobicContact CD1-CH2 3.87Å; L827-W864 HydrophobicContact CD1-CZ2 4.16Å; L827-W864 HydrophobicContact CD1-CZ3 3.56Å; L827-W864 HydrophobicContact CD2-CB 4.11Å; L827-W864 HydrophobicContact CD2-CD2 3.96Å; L827-W864 HydrophobicContact CD2-CE3 4.33Å; L827-W864 HydrophobicContact CD2-CG 3.87Å; L827-W864 HydrophobicContact CG-CD2 4.43Å; V833-W864 HydrophobicContact CG1-CB 3.99Å; V833-W864 HydrophobicContact CG1-CE3 4.28Å; Y834-W864 PolarHBondContact O-N 3.49Å; C835-W864 WeakPolarHBondContact CA-O 3.37Å; C835-W864 HydrophobicContact CB-CB 4.14Å; C835-W864 HydrophobicContact CB-CE3 4.46Å; N836-W864 PolarHBondContact N-O 3.11Å; F837-W864 HydrophobicContact CE1-CB 4.47Å; F837-W864 AromaticContact CE1-CD2 3.63Å; F837-W864 HydrophobicContact CE1-CD2 3.63Å; F837-W864 AromaticContact CE1-CE2 4Å; F837-W864 AromaticContact CE1-CE3 3.85Å; F837-W864 HydrophobicContact CE1-CE3 3.85Å; F837-W864 AromaticContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CZ3 4.37Å; F837-W864 AromaticContact CZ-CD2 3.73Å; F837-W864 HydrophobicContact CZ-CD2 3.73Å; F837-W864 AromaticContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CE3 3.45Å; F837-W864 VanDerWaalsContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CG 4.45Å; F837-W864 HydrophobicContact CZ-CH2 4.06Å; F837-W864 HydrophobicContact CZ-CZ2 4.29Å; F837-W864 AromaticContact CZ-CZ3 3.62Å; F837-W864 HydrophobicContact CZ-CZ3 3.62Å; W864-I891 WeakPolarHBondContact CA-O 3.48Å; W864-S893 VanDerWaalsContact NE1-CB 3.35Å; W864-S893 PolarHBondContact NE1-OG 3.25Å; W864-R904 HydrophobicContact CH2-CB 3.86Å; W864-R904 HydrophobicContact CH2-CG 3.68Å; W864-R904 HydrophobicContact CZ2-CG 4.29Å; W864-R904 HydrophobicContact CZ3-CG 4.4Å; W864-R904 WeakPolarHBondContact CZ3-O 3.46Å; W864-L907 HydrophobicContact CH2-CD1 4.34Å; W864-L907 HydrophobicContact CZ3-CB 4.19Å |
| 865 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 168.4 | -179 | -60.8 | -177.5 | 0 | 0 | 0 | 111.7 | N836 W851 L863 I876 I890 I891 F892 S893 | N836-L865 HydrophobicContact CB-CD2 4Å; W851-L865 HydrophobicContact CZ3-CD2 4.11Å; L863-L865 HydrophobicContact CD1-CD2 4.1Å; L863-L865 HydrophobicContact CD2-CD1 4.05Å; L863-L865 HydrophobicContact CD2-CD2 4.02Å; L863-L865 HydrophobicContact CD2-CG 4.07Å; L863-L865 HydrophobicContact CG-CD1 4.45Å; L863-L865 HydrophobicContact CG-CD2 3.89Å; L863-L865 HydrophobicContact CG-CG 3.94Å; L865-I876 HydrophobicContact CD1-CG2 4.12Å; L865-I890 HydrophobicContact CD1-CG2 3.86Å; L865-I890 HydrophobicContact CG-CG2 4.2Å; L865-I891 PolarHBondContact N-O 2.83Å; L865-F892 HydrophobicContact CB-CD1 3.93Å; L865-F892 HydrophobicContact CB-CE1 3.68Å; L865-F892 HydrophobicContact CB-CG 4.49Å; L865-F892 HydrophobicContact CB-CZ 4.03Å; L865-F892 HydrophobicContact CD1-CE1 4.16Å; L865-F892 HydrophobicContact CD1-CE2 4.39Å; L865-F892 HydrophobicContact CD1-CZ 3.77Å; L865-F892 WeakPolarHBondContact O-CA 3.41Å; L865-S893 PolarHBondContact O-N 2.91Å |
| 866 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.3 | 174.9 | -55.8 | -167.7 | 0 | 0 | 0 | 112.2 | F837 F868 S893 | F837-L866 HydrophobicContact CB-CD1 3.74Å; F837-L866 HydrophobicContact CB-CG 4.03Å; F837-L866 HydrophobicContact CD1-CD1 4.29Å; F837-L866 HydrophobicContact CD1-CD2 3.6Å; F837-L866 HydrophobicContact CD1-CG 3.76Å; F837-L866 HydrophobicContact CE1-CD2 4.02Å; F837-L866 HydrophobicContact CG-CD1 4.22Å; F837-L866 HydrophobicContact CG-CD2 4.26Å; F837-L866 HydrophobicContact CG-CG 4.19Å; L866-F868 HydrophobicContact CB-CB 4.1Å; L866-F868 PolarHBondContact O-N 3.28Å; L866-S893 WeakPolarHBondContact CA-O 3.37Å |
| 867 | R | 98.4 | Very high | 98.2 | Very high | 85 Ų | 85 | 40.4 Ų | 40.4 | 32% | 0.321 | 22% | 0.219 | S | C | . | . | trans | -71.3 | 72 | 165.3 | -71.9 | -173.4 | -178.4 | 85.9 | 19 | 110.3 | P869 A870 E873 F892 S893 | R867-P869 CarbonylContact O-C 3.53Å; R867-A870 HydrophobicContact CB-CB 3.87Å; R867-A870 HydrophobicContact CG-CB 4.2Å; R867-A870 PolarHBondContact O-N 3.45Å; R867-E873 IonicContact CZ-OE2 3.24Å; R867-E873 IonicContact NE-OE2 3.61Å; R867-E873 PolarHBondContact NE-OE2 3.42Å; R867-E873 IonicContact NH2-OE1 3.87Å; R867-E873 PolarHBondContact NH2-OE1 3.16Å; R867-E873 IonicContact NH2-OE2 3.24Å; R867-E873 PolarHBondContact NH2-OE2 2.99Å; R867-E873 VanDerWaalsContact NH2-OE2 3.15Å; R867-F892 HydrophobicContact CG-CB 4.13Å; R867-F892 HydrophobicContact CG-CD1 4.26Å; R867-F892 PolarHBondContact NH1-O 3.33Å; R867-F892 PolarHBondContact NH2-O 2.92Å; R867-S893 PolarHBondContact N-O 2.93Å | ||
| 868 | F | 97.5 | Very high | 98.2 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 66.5 | -172 | -154.5 | 3.7 | 0 | 0 | 0 | 113.1 | Q839 L840 L866 V895 | Q839-F868 HydrophobicContact CB-CD2 4.21Å; Q839-F868 HydrophobicContact CB-CE2 4.47Å; Q839-F868 HydrophobicContact CB-CG 4.38Å; Q839-F868 HydrophobicContact CG-CD1 3.92Å; Q839-F868 HydrophobicContact CG-CD2 3.43Å; Q839-F868 VanDerWaalsContact CG-CD2 3.43Å; Q839-F868 HydrophobicContact CG-CE1 3.8Å; Q839-F868 HydrophobicContact CG-CE2 3.28Å; Q839-F868 HydrophobicContact CG-CG 3.76Å; Q839-F868 HydrophobicContact CG-CZ 3.49Å; Q839-F868 VanDerWaalsContact CG-CZ 3.49Å; L840-F868 WeakPolarHBondContact CG-O 3.41Å; L840-F868 PolarHBondContact N-O 2.99Å; L866-F868 HydrophobicContact CB-CB 4.1Å; L866-F868 PolarHBondContact O-N 3.28Å; F868-V895 HydrophobicContact CB-CG2 4.04Å; F868-V895 HydrophobicContact CD1-CG2 4.01Å; F868-V895 HydrophobicContact CD2-CG2 4.12Å; F868-V895 HydrophobicContact CE1-CG2 4.46Å; F868-V895 HydrophobicContact CG-CG2 3.81Å |
| 869 | P | 97.7 | Very high | 98.2 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 24% | 0.24 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.1 | 164.7 | 8.3 | 36.8 | -35.7 | 0 | 0 | 0 | 114.4 | I465 V466 L840 R867 V871 G872 | I465-P869 HydrophobicContact CG2-CG 3.91Å; I465-P869 VanDerWaalsContact O-CD 3.29Å; I465-P869 WeakPolarHBondContact O-CD 3.49Å; V466-P869 HydrophobicContact CG1-CG 4.39Å; L840-P869 WeakPolarHBondContact CD1-O 3.37Å; R867-P869 CarbonylContact O-C 3.53Å; P869-V871 VanDerWaalsContact C-N 3.27Å; P869-V871 HydrophobicContact CB-CG2 4.17Å; P869-V871 HydrophobicContact CG-CG2 3.86Å; P869-V871 PolarHBondContact O-N 3.33Å; P869-G872 PolarHBondContact O-N 3.26Å; P869-G872 VanDerWaalsContact O-N 3.15Å |
| 870 | A | 97.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 37.4 Ų | 37.4 | 45% | 0.446 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -57 | -36.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R867 G872 E873 | R867-A870 HydrophobicContact CB-CB 3.87Å; R867-A870 HydrophobicContact CG-CB 4.2Å; R867-A870 PolarHBondContact O-N 3.45Å; A870-G872 PolarHBondContact O-N 3.4Å; A870-G872 VanDerWaalsContact O-N 3.12Å; A870-E873 VanDerWaalsContact O-CB 3.28Å; A870-E873 WeakPolarHBondContact O-CB 3.48Å; A870-E873 PolarHBondContact O-N 2.99Å; A870-E873 VanDerWaalsContact O-N 3.07Å |
| 871 | V | 97.2 | Very high | 98.3 | Very high | 70 Ų | 70 | 37 Ų | 37 | 42% | 0.424 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -64.8 | -14.3 | -179.4 | -64.2 | 0 | 0 | 0 | 0 | 113.9 | P436 V466 P869 P874 | P436-V871 HydrophobicContact CG-CG1 4.34Å; V466-V871 HydrophobicContact CG1-CG2 3.76Å; P869-V871 VanDerWaalsContact C-N 3.27Å; P869-V871 HydrophobicContact CB-CG2 4.17Å; P869-V871 HydrophobicContact CG-CG2 3.86Å; P869-V871 PolarHBondContact O-N 3.33Å; V871-P874 WeakPolarHBondContact O-CD 3.41Å |
| 872 | G | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -84.7 | -16.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V466 P869 A870 N875 I876 | V466-G872 WeakPolarHBondContact O-CA 3.34Å; P869-G872 PolarHBondContact O-N 3.26Å; P869-G872 VanDerWaalsContact O-N 3.15Å; A870-G872 PolarHBondContact O-N 3.4Å; A870-G872 VanDerWaalsContact O-N 3.12Å; G872-N875 WeakPolarHBondContact O-CB 3.43Å; G872-N875 PolarHBondContact O-N 3.26Å; G872-I876 PolarHBondContact O-N 3.39Å; G872-I876 VanDerWaalsContact O-N 3.15Å |
| 873 | E | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.4 | -50.2 | 178 | 177.7 | 170.5 | -178.2 | 0 | 0 | 114 | R867 A870 N875 I876 Q877 F892 | R867-E873 IonicContact CZ-OE2 3.24Å; R867-E873 IonicContact NE-OE2 3.61Å; R867-E873 PolarHBondContact NE-OE2 3.42Å; R867-E873 IonicContact NH2-OE1 3.87Å; R867-E873 PolarHBondContact NH2-OE1 3.16Å; R867-E873 IonicContact NH2-OE2 3.24Å; R867-E873 PolarHBondContact NH2-OE2 2.99Å; R867-E873 VanDerWaalsContact NH2-OE2 3.15Å; A870-E873 VanDerWaalsContact O-CB 3.28Å; A870-E873 WeakPolarHBondContact O-CB 3.48Å; A870-E873 PolarHBondContact O-N 2.99Å; A870-E873 VanDerWaalsContact O-N 3.07Å; E873-N875 VanDerWaalsContact C-N 3.26Å; E873-N875 PolarHBondContact O-N 3.32Å; E873-I876 PolarHBondContact O-N 2.61Å; E873-Q877 HydrophobicContact CG-CG 4.26Å; E873-Q877 VanDerWaalsContact O-CG 3.31Å; E873-Q877 WeakPolarHBondContact O-CG 3.17Å; E873-Q877 PolarHBondContact O-N 2.66Å; E873-F892 HydrophobicContact CB-CD1 4.31Å; E873-F892 HydrophobicContact CB-CE1 4.27Å; E873-F892 HydrophobicContact CB-CG 4.46Å; E873-F892 HydrophobicContact CB-CZ 4.37Å; E873-F892 HydrophobicContact CG-CB 4.44Å; E873-F892 HydrophobicContact CG-CD1 4.2Å; E873-F892 HydrophobicContact CG-CD2 3.68Å; E873-F892 HydrophobicContact CG-CE1 4.36Å; E873-F892 HydrophobicContact CG-CE2 3.86Å; E873-F892 HydrophobicContact CG-CG 3.86Å; E873-F892 HydrophobicContact CG-CZ 4.19Å |
| 874 | P | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 53% | 0.526 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.9 | -35.2 | -179.7 | 23.1 | -34.4 | 0 | 0 | 0 | 112.8 | V871 Q878 | V871-P874 WeakPolarHBondContact O-CD 3.41Å; P874-Q878 WeakPolarHBondContact O-CB 3.32Å; P874-Q878 PolarHBondContact O-N 3.26Å |
| 875 | N | 98.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -51.7 | 177.8 | -63.7 | -22.9 | 0 | 0 | 0 | 110.6 | V466 G872 E873 Q877 Q878 Y879 | V466-N875 PolarHBondContact O-ND2 3.47Å; G872-N875 WeakPolarHBondContact O-CB 3.43Å; G872-N875 PolarHBondContact O-N 3.26Å; E873-N875 VanDerWaalsContact C-N 3.26Å; E873-N875 PolarHBondContact O-N 3.32Å; N875-Q877 VanDerWaalsContact C-N 3.31Å; N875-Q877 PolarHBondContact O-N 3.15Å; N875-Q878 PolarHBondContact O-N 2.86Å; N875-Y879 HydrophobicContact CB-CD2 4.47Å; N875-Y879 HydrophobicContact CB-CE2 4.22Å; N875-Y879 WeakPolarHBondContact O-CD2 3.07Å; N875-Y879 PolarHBondContact O-N 3.19Å |
| 876 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 178.4 | -65.6 | -66.4 | 0 | 0 | 0 | 111.2 | C467 W469 L848 L865 G872 E873 Q878 Y879 A880 I890 F892 | C467-I876 HydrophobicContact CB-CD1 3.56Å; C467-I876 HydrophobicContact CB-CG1 4.11Å; W469-I876 HydrophobicContact CH2-CD1 3.69Å; W469-I876 HydrophobicContact CZ2-CD1 3.95Å; W469-I876 HydrophobicContact CZ3-CD1 4.47Å; L848-I876 HydrophobicContact CD1-CG2 4.48Å; L848-I876 HydrophobicContact CD2-CG2 4.44Å; L865-I876 HydrophobicContact CD1-CG2 4.12Å; G872-I876 PolarHBondContact O-N 3.39Å; G872-I876 VanDerWaalsContact O-N 3.15Å; E873-I876 PolarHBondContact O-N 2.61Å; I876-Q878 PolarHBondContact O-N 3.43Å; I876-Y879 PolarHBondContact O-N 3.26Å; I876-A880 VanDerWaalsContact O-CB 3.27Å; I876-A880 WeakPolarHBondContact O-CB 3.49Å; I876-A880 PolarHBondContact O-N 3.3Å; I876-I890 HydrophobicContact CG2-CD1 4.38Å; I876-F892 HydrophobicContact CB-CZ 4Å; I876-F892 HydrophobicContact CG1-CZ 4.49Å; I876-F892 HydrophobicContact CG2-CE2 4.33Å; I876-F892 HydrophobicContact CG2-CZ 3.84Å |
| 877 | Q | 98.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 178 | -70.5 | -72 | 3.1 | 0 | 0 | 111.6 | E873 N875 A880 Q881 I890 F892 | E873-Q877 HydrophobicContact CG-CG 4.26Å; E873-Q877 VanDerWaalsContact O-CG 3.31Å; E873-Q877 WeakPolarHBondContact O-CG 3.17Å; E873-Q877 PolarHBondContact O-N 2.66Å; N875-Q877 VanDerWaalsContact C-N 3.31Å; N875-Q877 PolarHBondContact O-N 3.15Å; Q877-A880 PolarHBondContact O-N 3.05Å; Q877-Q881 WeakPolarHBondContact O-CB 3.41Å; Q877-Q881 PolarHBondContact O-N 3.01Å; Q877-I890 PolarHBondContact NE2-O 3.03Å; Q877-F892 HydrophobicContact CG-CE2 4.24Å |
| 878 | Q | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 177.5 | -172.3 | 61.3 | 63.7 | 0 | 0 | 111.7 | P874 N875 I876 A880 Q881 N882 | P874-Q878 WeakPolarHBondContact O-CB 3.32Å; P874-Q878 PolarHBondContact O-N 3.26Å; N875-Q878 PolarHBondContact O-N 2.86Å; I876-Q878 PolarHBondContact O-N 3.43Å; Q878-A880 PolarHBondContact O-N 2.97Å; Q878-Q881 VanDerWaalsContact NE2-OE1 3.15Å; Q878-Q881 PolarHBondContact O-N 3.38Å; Q878-N882 PolarHBondContact NE2-OD1 2.9Å; Q878-N882 PolarHBondContact O-N 3.44Å; Q878-N882 PolarHBondContact O-ND2 2.9Å; Q878-N882 PolarHBondContact O-OD1 3.42Å |
| 879 | Y | 98.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.6 | -70.5 | -61.1 | 0 | 0 | 0 | 112 | C467 W469 T470 N875 I876 Q881 N882 M883 | C467-Y879 VanDerWaalsContact O-CE2 3.32Å; C467-Y879 WeakPolarHBondContact O-CE2 3.49Å; W469-Y879 WeakPolarHBondContact CA-OH 3.43Å; W469-Y879 HydrophobicContact CB-CE1 4.18Å; W469-Y879 HydrophobicContact CB-CE2 3.99Å; W469-Y879 HydrophobicContact CD2-CD2 4.03Å; W469-Y879 HydrophobicContact CD2-CE2 4.02Å; W469-Y879 AromaticContact CE3-CD1 3.98Å; W469-Y879 HydrophobicContact CE3-CD1 3.98Å; W469-Y879 AromaticContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CE1 4.31Å; W469-Y879 AromaticContact CE3-CE2 3.72Å; W469-Y879 HydrophobicContact CE3-CE2 3.72Å; W469-Y879 AromaticContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CG-CE2 4.17Å; W469-Y879 AromaticContact CZ3-CD2 3.74Å; W469-Y879 HydrophobicContact CZ3-CD2 3.74Å; W469-Y879 AromaticContact CZ3-CG 3.8Å; W469-Y879 HydrophobicContact CZ3-CG 3.8Å; W469-Y879 PolarHBondContact N-OH 2.96Å; T470-Y879 PolarHBondContact N-OH 3.23Å; N875-Y879 HydrophobicContact CB-CD2 4.47Å; N875-Y879 HydrophobicContact CB-CE2 4.22Å; N875-Y879 WeakPolarHBondContact O-CD2 3.07Å; N875-Y879 PolarHBondContact O-N 3.19Å; I876-Y879 PolarHBondContact O-N 3.26Å; Y879-Q881 VanDerWaalsContact C-N 3.34Å; Y879-Q881 PolarHBondContact O-N 3.48Å; Y879-N882 PolarHBondContact O-N 2.98Å; Y879-M883 VanDerWaalsContact O-CG 3.25Å; Y879-M883 WeakPolarHBondContact O-CG 3.17Å; Y879-M883 PolarHBondContact O-N 3.29Å |
| 880 | A | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I876 Q877 Q878 M883 G884 L885 I890 | I876-A880 VanDerWaalsContact O-CB 3.27Å; I876-A880 WeakPolarHBondContact O-CB 3.49Å; I876-A880 PolarHBondContact O-N 3.3Å; Q877-A880 PolarHBondContact O-N 3.05Å; Q878-A880 PolarHBondContact O-N 2.97Å; A880-M883 CarbonylContact O-C 3.29Å; A880-M883 WeakPolarHBondContact O-CA 3.26Å; A880-M883 WeakPolarHBondContact O-CB 3.49Å; A880-M883 PolarHBondContact O-N 3.43Å; A880-M883 VanDerWaalsContact O-N 3.16Å; A880-G884 PolarHBondContact O-N 2.88Å; A880-L885 HydrophobicContact CB-CB 4.31Å; A880-L885 HydrophobicContact CB-CD1 4.22Å; A880-L885 WeakPolarHBondContact O-CB 3.36Å; A880-L885 PolarHBondContact O-N 3.29Å; A880-I890 HydrophobicContact CB-CD1 3.41Å; A880-I890 VanDerWaalsContact CB-CD1 3.41Å |
| 881 | Q | 98.2 | Very high | 97.8 | Very high | 121 Ų | 121 | 52.9 Ų | 52.9 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 174.5 | -170.4 | -179 | 36.6 | 0 | 0 | 111.7 | Q877 Q878 Y879 M883 G884 L885 | Q877-Q881 WeakPolarHBondContact O-CB 3.41Å; Q877-Q881 PolarHBondContact O-N 3.01Å; Q878-Q881 VanDerWaalsContact NE2-OE1 3.15Å; Q878-Q881 PolarHBondContact O-N 3.38Å; Y879-Q881 VanDerWaalsContact C-N 3.34Å; Y879-Q881 PolarHBondContact O-N 3.48Å; Q881-M883 PolarHBondContact O-N 3.48Å; Q881-G884 WeakPolarHBondContact O-CA 3.42Å; Q881-G884 PolarHBondContact O-N 3.36Å; Q881-L885 WeakPolarHBondContact CA-O 3.47Å |
| 882 | N | 98 | Very high | 97.9 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.2 | -31.5 | 176.1 | -63.1 | -9.5 | 0 | 0 | 0 | 111.9 | Q878 Y879 G884 | Q878-N882 PolarHBondContact NE2-OD1 2.9Å; Q878-N882 PolarHBondContact O-N 3.44Å; Q878-N882 PolarHBondContact O-ND2 2.9Å; Q878-N882 PolarHBondContact O-OD1 3.42Å; Y879-N882 PolarHBondContact O-N 2.98Å; N882-G884 PolarHBondContact O-N 3.23Å |
| 883 | M | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 14% | 0.143 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.7 | 172.4 | -64.9 | 172.3 | -175.4 | 0 | 0 | 112.9 | L848 Q849 A852 K856 Y879 A880 Q881 | L848-M883 HydrophobicContact CB-CE 4.16Å; L848-M883 HydrophobicContact CB-SD 4.17Å; L848-M883 HydrophobicContact CD2-CE 4.16Å; L848-M883 HydrophobicContact CD2-SD 3.97Å; L848-M883 HydrophobicContact CG-CE 4.28Å; L848-M883 HydrophobicContact CG-SD 3.81Å; Q849-M883 HydrophobicContact CB-CE 4.2Å; Q849-M883 HydrophobicContact CB-SD 4.23Å; A852-M883 HydrophobicContact CB-CB 4.02Å; A852-M883 HydrophobicContact CB-SD 4.3Å; K856-M883 WeakPolarHBondContact CE-O 3.36Å; K856-M883 PolarHBondContact NZ-O 2.92Å; Y879-M883 VanDerWaalsContact O-CG 3.25Å; Y879-M883 WeakPolarHBondContact O-CG 3.17Å; Y879-M883 PolarHBondContact O-N 3.29Å; A880-M883 CarbonylContact O-C 3.29Å; A880-M883 WeakPolarHBondContact O-CA 3.26Å; A880-M883 WeakPolarHBondContact O-CB 3.49Å; A880-M883 PolarHBondContact O-N 3.43Å; A880-M883 VanDerWaalsContact O-N 3.16Å; Q881-M883 PolarHBondContact O-N 3.48Å |
| 884 | G | 97.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 52.1 Ų | 52.1 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 25 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A880 Q881 N882 | A880-G884 PolarHBondContact O-N 2.88Å; Q881-G884 WeakPolarHBondContact O-CA 3.42Å; Q881-G884 PolarHBondContact O-N 3.36Å; N882-G884 PolarHBondContact O-N 3.23Å |
| 885 | L | 97.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | -99.9 | 131 | 170.5 | -64.3 | 177.1 | 0 | 0 | 0 | 111.1 | A852 L855 K856 A880 Q881 I890 | A852-L885 HydrophobicContact CB-CD1 3.69Å; A852-L885 HydrophobicContact CB-CD2 4.39Å; A852-L885 HydrophobicContact CB-CG 3.93Å; L855-L885 HydrophobicContact CB-CD2 3.8Å; L855-L885 HydrophobicContact CD1-CD1 3.67Å; L855-L885 HydrophobicContact CD1-CD2 4.28Å; K856-L885 HydrophobicContact CG-CD2 4.18Å; A880-L885 HydrophobicContact CB-CB 4.31Å; A880-L885 HydrophobicContact CB-CD1 4.22Å; A880-L885 WeakPolarHBondContact O-CB 3.36Å; A880-L885 PolarHBondContact O-N 3.29Å; Q881-L885 WeakPolarHBondContact CA-O 3.47Å; L885-I890 HydrophobicContact CD1-CD1 4.41Å | ||
| 886 | P | 96.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | trans | -70.1 | 153.4 | 169.1 | 22 | -24.4 | 0 | 0 | 0 | 111.7 | N888 R889 | P886-N888 WeakPolarHBondContact CB-OD1 3.12Å; P886-N888 WeakPolarHBondContact CG-OD1 3.32Å; P886-N888 PolarHBondContact O-N 3.4Å; P886-N888 VanDerWaalsContact O-N 3.16Å; P886-R889 HydrophobicContact CG-CG 3.69Å; P886-R889 VanDerWaalsContact O-CB 3.31Å; P886-R889 WeakPolarHBondContact O-CB 3.41Å; P886-R889 VanDerWaalsContact O-CG 3.31Å; P886-R889 WeakPolarHBondContact O-CG 3.49Å; P886-R889 PolarHBondContact O-N 3.39Å | ||
| 887 | Q | 94 | Very high | 97.5 | Very high | 141 Ų | 141 | 52.4 Ų | 52.4 | 66% | 0.659 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -56.3 | -34.9 | -174.6 | -170.3 | -178.5 | 7.2 | 0 | 0 | 113.2 | R889 I890 | Q887-R889 PolarHBondContact O-N 3.24Å; Q887-R889 VanDerWaalsContact O-N 3.11Å; Q887-I890 PolarHBondContact O-N 3.46Å; Q887-I890 VanDerWaalsContact O-N 3.13Å; Q887-I890 VanDerWaalsContact O-O 3.11Å |
| 888 | N | 95.4 | Very high | 97.4 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -66.2 | -10.6 | 178.9 | 69.5 | -25.6 | 0 | 0 | 0 | 114.1 | P886 I890 | P886-N888 WeakPolarHBondContact CB-OD1 3.12Å; P886-N888 WeakPolarHBondContact CG-OD1 3.32Å; P886-N888 PolarHBondContact O-N 3.4Å; P886-N888 VanDerWaalsContact O-N 3.16Å; N888-I890 VanDerWaalsContact C-N 3.33Å |
| 889 | R | 98.2 | Very high | 97.4 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -78.8 | -16.9 | 174.6 | -54.6 | -58.9 | -60.4 | -81.9 | 0.3 | 112.8 | L855 V858 S861 V862 L863 P886 Q887 | L855-R889 HydrophobicContact CD1-CB 4.4Å; L855-R889 PolarHBondContact O-NH1 3.01Å; L855-R889 PolarHBondContact O-NH2 3.47Å; V858-R889 PolarHBondContact O-NH2 3.46Å; S861-R889 PolarHBondContact O-NE 3.49Å; S861-R889 PolarHBondContact O-NH2 2.98Å; S861-R889 PolarHBondContact OG-NH2 3.29Å; V862-R889 CarbonylContact C-O 3.41Å; V862-R889 VanDerWaalsContact CA-O 3.3Å; V862-R889 WeakPolarHBondContact CA-O 3.37Å; L863-R889 PolarHBondContact N-O 3.07Å; P886-R889 HydrophobicContact CG-CG 3.69Å; P886-R889 VanDerWaalsContact O-CB 3.31Å; P886-R889 WeakPolarHBondContact O-CB 3.41Å; P886-R889 VanDerWaalsContact O-CG 3.31Å; P886-R889 WeakPolarHBondContact O-CG 3.49Å; P886-R889 PolarHBondContact O-N 3.39Å; Q887-R889 PolarHBondContact O-N 3.24Å; Q887-R889 VanDerWaalsContact O-N 3.11Å |
| 890 | I | 98.5 | Very high | 97.4 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.1 | 179.4 | -53.3 | -175.4 | 0 | 0 | 0 | 109.5 | L863 L865 I876 Q877 A880 L885 Q887 N888 F892 | L863-I890 HydrophobicContact CB-CG1 4.43Å; L863-I890 CarbonylContact O-C 3.53Å; L863-I890 WeakPolarHBondContact O-CA 3.48Å; L865-I890 HydrophobicContact CD1-CG2 3.86Å; L865-I890 HydrophobicContact CG-CG2 4.2Å; I876-I890 HydrophobicContact CG2-CD1 4.38Å; Q877-I890 PolarHBondContact NE2-O 3.03Å; A880-I890 HydrophobicContact CB-CD1 3.41Å; A880-I890 VanDerWaalsContact CB-CD1 3.41Å; L885-I890 HydrophobicContact CD1-CD1 4.41Å; Q887-I890 PolarHBondContact O-N 3.46Å; Q887-I890 VanDerWaalsContact O-N 3.13Å; Q887-I890 VanDerWaalsContact O-O 3.11Å; N888-I890 VanDerWaalsContact C-N 3.33Å; I890-F892 HydrophobicContact CG2-CD2 3.94Å; I890-F892 HydrophobicContact CG2-CE2 3.44Å; I890-F892 VanDerWaalsContact CG2-CE2 3.44Å; I890-F892 HydrophobicContact CG2-CZ 4.17Å |
| 891 | I | 98.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 16% | 0.159 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131 | -179.3 | -62.3 | 170.4 | 0 | 0 | 0 | 108.4 | L827 V862 L863 W864 L865 | L827-I891 HydrophobicContact CD2-CB 4.27Å; L827-I891 HydrophobicContact CD2-CD1 3.8Å; L827-I891 HydrophobicContact CD2-CG2 4.09Å; V862-I891 HydrophobicContact CB-CD1 4.21Å; V862-I891 HydrophobicContact CG1-CD1 4.32Å; V862-I891 HydrophobicContact CG2-CD1 4.08Å; L863-I891 PolarHBondContact O-N 3.35Å; W864-I891 WeakPolarHBondContact CA-O 3.48Å; L865-I891 PolarHBondContact N-O 2.83Å |
| 892 | F | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.1 | 178.1 | -81.1 | -94.1 | 0 | 0 | 0 | 111.6 | L840 L865 R867 E873 I876 Q877 I890 | L840-F892 HydrophobicContact CD2-CE1 4.45Å; L865-F892 HydrophobicContact CB-CD1 3.93Å; L865-F892 HydrophobicContact CB-CE1 3.68Å; L865-F892 HydrophobicContact CB-CG 4.49Å; L865-F892 HydrophobicContact CB-CZ 4.03Å; L865-F892 HydrophobicContact CD1-CE1 4.16Å; L865-F892 HydrophobicContact CD1-CE2 4.39Å; L865-F892 HydrophobicContact CD1-CZ 3.77Å; L865-F892 WeakPolarHBondContact O-CA 3.41Å; R867-F892 HydrophobicContact CG-CB 4.13Å; R867-F892 HydrophobicContact CG-CD1 4.26Å; R867-F892 PolarHBondContact NH1-O 3.33Å; R867-F892 PolarHBondContact NH2-O 2.92Å; E873-F892 HydrophobicContact CB-CD1 4.31Å; E873-F892 HydrophobicContact CB-CE1 4.27Å; E873-F892 HydrophobicContact CB-CG 4.46Å; E873-F892 HydrophobicContact CB-CZ 4.37Å; E873-F892 HydrophobicContact CG-CB 4.44Å; E873-F892 HydrophobicContact CG-CD1 4.2Å; E873-F892 HydrophobicContact CG-CD2 3.68Å; E873-F892 HydrophobicContact CG-CE1 4.36Å; E873-F892 HydrophobicContact CG-CE2 3.86Å; E873-F892 HydrophobicContact CG-CG 3.86Å; E873-F892 HydrophobicContact CG-CZ 4.19Å; I876-F892 HydrophobicContact CB-CZ 4Å; I876-F892 HydrophobicContact CG1-CZ 4.49Å; I876-F892 HydrophobicContact CG2-CE2 4.33Å; I876-F892 HydrophobicContact CG2-CZ 3.84Å; Q877-F892 HydrophobicContact CG-CE2 4.24Å; I890-F892 HydrophobicContact CG2-CD2 3.94Å; I890-F892 HydrophobicContact CG2-CE2 3.44Å; I890-F892 VanDerWaalsContact CG2-CE2 3.44Å; I890-F892 HydrophobicContact CG2-CZ 4.17Å |
| 893 | S | 97.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 155.2 | 170.9 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | W864 L865 L866 R867 | W864-S893 VanDerWaalsContact NE1-CB 3.35Å; W864-S893 PolarHBondContact NE1-OG 3.25Å; L865-S893 PolarHBondContact O-N 2.91Å; L866-S893 WeakPolarHBondContact CA-O 3.37Å; R867-S893 PolarHBondContact N-O 2.93Å |
| 894 | P | 97.3 | Very high | 97.5 | Very high | 76 Ų | 76 | 35.9 Ų | 35.9 | 49% | 0.494 | 21% | 0.208 | S | C | . | . | trans | -62.5 | 157.6 | 170.4 | 28.8 | -35 | 0 | 0 | 0 | 111.4 | R904 | P894-R904 PolarHBondContact O-NH1 3Å; P894-R904 PolarHBondContact O-NH2 3.08Å; P894-R904 VanDerWaalsContact O-NH2 3.11Å | ||
| 895 | V | 95.5 | Very high | 97.5 | Very high | 74 Ų | 74 | 33.6 Ų | 33.6 | 45% | 0.448 | 19% | 0.185 | S | C | . | . | trans | -59.9 | 136.9 | 163.2 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | F868 | F868-V895 HydrophobicContact CB-CG2 4.04Å; F868-V895 HydrophobicContact CD1-CG2 4.01Å; F868-V895 HydrophobicContact CD2-CG2 4.12Å; F868-V895 HydrophobicContact CE1-CG2 4.46Å; F868-V895 HydrophobicContact CG-CG2 3.81Å | ||
| 896 | A | 96.1 | Very high | 97.6 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 13% | 0.132 | 18% | 0.183 | C | C | . | . | trans | -118.6 | 159.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E900 | A896-E900 HydrophobicContact CB-CB 4.09Å; A896-E900 HydrophobicContact CB-CG 4.01Å; A896-E900 WeakPolarHBondContact CB-OE1 3.41Å | ||
| 897 | P | 96.9 | Very high | 97.7 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | trans | -51.9 | 154.3 | 168.7 | -23.6 | 33.3 | 0 | 0 | 0 | 111.7 | T801 A808 E899 E900 H901 | T801-P897 HydrophobicContact CG2-CB 4.42Å; T801-P897 HydrophobicContact CG2-CG 3.54Å; A808-P897 HydrophobicContact CB-CB 3.95Å; A808-P897 HydrophobicContact CB-CG 4.33Å; A808-P897 VanDerWaalsContact O-CB 3.23Å; A808-P897 WeakPolarHBondContact O-CB 3.48Å; P897-E899 VanDerWaalsContact C-N 3.33Å; P897-E899 PolarHBondContact O-N 3.14Å; P897-E900 PolarHBondContact O-N 2.94Å; P897-E900 VanDerWaalsContact O-N 3.14Å; P897-H901 WeakPolarHBondContact O-CB 3.47Å; P897-H901 PolarHBondContact O-N 2.63Å | ||
| 898 | K | 97.9 | Very high | 97.9 | Very high | 33 Ų | 33 | 23.1 Ų | 23.1 | 14% | 0.143 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | -169.2 | -173.6 | 67.2 | -176.3 | 176.9 | 0 | 113 | F702 A808 H901 V902 D925 | F702-K898 HydrophobicContact CE2-CG 4.22Å; F702-K898 HydrophobicContact CZ-CB 4.38Å; F702-K898 HydrophobicContact CZ-CG 3.7Å; A808-K898 PolarHBondContact O-N 3.47Å; K898-H901 PolarHBondContact O-N 3.32Å; K898-V902 WeakPolarHBondContact O-CG2 3.21Å; K898-V902 PolarHBondContact O-N 2.98Å; K898-V902 VanDerWaalsContact O-N 3.11Å; K898-D925 WeakPolarHBondContact CE-OD1 3.19Å; K898-D925 IonicContact NZ-OD1 3.21Å; K898-D925 PolarHBondContact NZ-OD1 3.19Å; K898-D925 IonicContact NZ-OD2 2.66Å; K898-D925 PolarHBondContact NZ-OD2 2.86Å |
| 899 | E | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -48.9 | 177.9 | -172 | -78.5 | 155.7 | 0 | 0 | 111.4 | F702 H704 A807 A808 P814 P897 H901 V902 R903 | F702-E899 HydrophobicContact CD1-CB 4.2Å; F702-E899 HydrophobicContact CD1-CG 3.97Å; F702-E899 HydrophobicContact CE1-CB 3.75Å; F702-E899 HydrophobicContact CE1-CG 4.05Å; H704-E899 IonicContact CD2-OE1 3.75Å; H704-E899 IonicContact CE1-OE1 3.16Å; H704-E899 IonicContact NE2-OE1 2.62Å; H704-E899 PolarHBondContact NE2-OE1 3.4Å; A807-E899 WeakPolarHBondContact O-CB 3.42Å; A808-E899 VanDerWaalsContact O-CB 3.32Å; A808-E899 WeakPolarHBondContact O-CB 3.4Å; A808-E899 PolarHBondContact O-N 2.89Å; P814-E899 HydrophobicContact CG-CG 3.91Å; P897-E899 VanDerWaalsContact C-N 3.33Å; P897-E899 PolarHBondContact O-N 3.14Å; E899-H901 VanDerWaalsContact C-N 3.33Å; E899-H901 PolarHBondContact O-N 3.47Å; E899-V902 PolarHBondContact O-N 3.38Å; E899-R903 VanDerWaalsContact CD-NE 3.33Å; E899-R903 VanDerWaalsContact O-CB 3.23Å; E899-R903 WeakPolarHBondContact O-CB 3.48Å; E899-R903 PolarHBondContact O-N 3.39Å; E899-R903 WeakPolarHBondContact OE1-CD 3.5Å; E899-R903 IonicContact OE1-CZ 2.66Å; E899-R903 IonicContact OE1-NE 3.71Å; E899-R903 PolarHBondContact OE1-NE 3.16Å; E899-R903 IonicContact OE2-CZ 3.48Å; E899-R903 VanDerWaalsContact OE2-CZ 3.3Å; E899-R903 IonicContact OE2-NE 2.67Å; E899-R903 PolarHBondContact OE2-NE 3.06Å; E899-R903 IonicContact OE2-NH2 3.08Å; E899-R903 PolarHBondContact OE2-NH2 3.47Å |
| 900 | E | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 16.2 Ų | 16.2 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 179.4 | -176.3 | -169.9 | 134.6 | 0 | 0 | 111.2 | Y825 A896 P897 V902 R903 R904 | Y825-E900 WeakPolarHBondContact OH-CG 3.42Å; Y825-E900 PolarHBondContact OH-OE1 2.96Å; A896-E900 HydrophobicContact CB-CB 4.09Å; A896-E900 HydrophobicContact CB-CG 4.01Å; A896-E900 WeakPolarHBondContact CB-OE1 3.41Å; P897-E900 PolarHBondContact O-N 2.94Å; P897-E900 VanDerWaalsContact O-N 3.14Å; E900-V902 PolarHBondContact O-N 3.47Å; E900-R903 PolarHBondContact O-N 3.13Å; E900-R904 VanDerWaalsContact O-CB 3.26Å; E900-R904 WeakPolarHBondContact O-CB 3.43Å; E900-R904 VanDerWaalsContact O-CG 3.26Å; E900-R904 WeakPolarHBondContact O-CG 3.23Å; E900-R904 PolarHBondContact O-N 3.3Å |
| 901 | H | 97.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 16 Ų | 16 | 10% | 0.097 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 177 | 179.1 | 100.4 | 0 | 0 | 0 | 111.8 | F837 P897 K898 E899 D925 | F837-H901 VanDerWaalsContact CB-CE1 3.45Å; F837-H901 WeakPolarHBondContact CB-CE1 3.39Å; P897-H901 WeakPolarHBondContact O-CB 3.47Å; P897-H901 PolarHBondContact O-N 2.63Å; K898-H901 PolarHBondContact O-N 3.32Å; E899-H901 VanDerWaalsContact C-N 3.33Å; E899-H901 PolarHBondContact O-N 3.47Å; H901-D925 IonicContact CD2-OD2 3.16Å; H901-D925 PolarHBondContact CD2-OD2 3.44Å; H901-D925 IonicContact NE2-OD2 2.83Å; H901-D925 PolarHBondContact NE2-OD2 3.36Å |
| 902 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.4 | -48.8 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 110 | F702 L705 K898 E899 E900 R904 G905 D925 W928 | F702-V902 HydrophobicContact CD2-CB 4.44Å; F702-V902 HydrophobicContact CD2-CG1 4.3Å; F702-V902 HydrophobicContact CD2-CG2 4.18Å; F702-V902 HydrophobicContact CE2-CG2 3.87Å; L705-V902 HydrophobicContact CD1-CB 4.45Å; L705-V902 HydrophobicContact CD1-CG1 3.8Å; K898-V902 WeakPolarHBondContact O-CG2 3.21Å; K898-V902 PolarHBondContact O-N 2.98Å; K898-V902 VanDerWaalsContact O-N 3.11Å; E899-V902 PolarHBondContact O-N 3.38Å; E900-V902 PolarHBondContact O-N 3.47Å; V902-R904 PolarHBondContact O-N 3.47Å; V902-G905 PolarHBondContact O-N 3.07Å; V902-G905 VanDerWaalsContact O-N 3.12Å; V902-D925 HydrophobicContact CG2-CB 3.88Å; V902-W928 HydrophobicContact CG1-CB 4.4Å |
| 903 | R | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | -176.9 | 175.1 | 167.3 | 46.6 | 73 | 1.1 | 112.5 | L705 G797 T800 T820 E899 E900 G905 Q906 | L705-R903 HydrophobicContact CD1-CB 4.22Å; L705-R903 HydrophobicContact CD2-CB 4.17Å; L705-R903 HydrophobicContact CD2-CG 4.12Å; G797-R903 PolarHBondContact O-NH2 2.93Å; T800-R903 PolarHBondContact OG1-NH2 3.29Å; T820-R903 HydrophobicContact CG2-CG 4.48Å; T820-R903 WeakPolarHBondContact OG1-CD 3.4Å; T820-R903 PolarHBondContact OG1-NH1 3.3Å; E899-R903 VanDerWaalsContact CD-NE 3.33Å; E899-R903 VanDerWaalsContact O-CB 3.23Å; E899-R903 WeakPolarHBondContact O-CB 3.48Å; E899-R903 PolarHBondContact O-N 3.39Å; E899-R903 WeakPolarHBondContact OE1-CD 3.5Å; E899-R903 IonicContact OE1-CZ 2.66Å; E899-R903 IonicContact OE1-NE 3.71Å; E899-R903 PolarHBondContact OE1-NE 3.16Å; E899-R903 IonicContact OE2-CZ 3.48Å; E899-R903 VanDerWaalsContact OE2-CZ 3.3Å; E899-R903 IonicContact OE2-NE 2.67Å; E899-R903 PolarHBondContact OE2-NE 3.06Å; E899-R903 IonicContact OE2-NH2 3.08Å; E899-R903 PolarHBondContact OE2-NH2 3.47Å; E900-R903 PolarHBondContact O-N 3.13Å; R903-G905 PolarHBondContact O-N 2.59Å; R903-Q906 VanDerWaalsContact O-CB 3.28Å; R903-Q906 WeakPolarHBondContact O-CB 3.3Å; R903-Q906 WeakPolarHBondContact O-CG 3.49Å; R903-Q906 PolarHBondContact O-N 3.17Å; R903-Q906 VanDerWaalsContact O-N 3.12Å; R903-Q906 PolarHBondContact O-NE2 3.39Å |
| 904 | R | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.1 | -19.8 | -179.5 | 82.4 | -175.1 | 176.7 | -179.2 | -4.8 | 112.7 | Y825 F837 W864 P894 E900 V902 Q906 L907 | Y825-R904 HydrophobicContact CE2-CB 4.05Å; F837-R904 HydrophobicContact CE2-CG 4.31Å; W864-R904 HydrophobicContact CH2-CB 3.86Å; W864-R904 HydrophobicContact CH2-CG 3.68Å; W864-R904 HydrophobicContact CZ2-CG 4.29Å; W864-R904 HydrophobicContact CZ3-CG 4.4Å; W864-R904 WeakPolarHBondContact CZ3-O 3.46Å; P894-R904 PolarHBondContact O-NH1 3Å; P894-R904 PolarHBondContact O-NH2 3.08Å; P894-R904 VanDerWaalsContact O-NH2 3.11Å; E900-R904 VanDerWaalsContact O-CB 3.26Å; E900-R904 WeakPolarHBondContact O-CB 3.43Å; E900-R904 VanDerWaalsContact O-CG 3.26Å; E900-R904 WeakPolarHBondContact O-CG 3.23Å; E900-R904 PolarHBondContact O-N 3.3Å; V902-R904 PolarHBondContact O-N 3.47Å; R904-Q906 PolarHBondContact O-N 3.14Å; R904-Q906 VanDerWaalsContact O-N 3.16Å; R904-L907 WeakPolarHBondContact O-CB 3.48Å; R904-L907 PolarHBondContact O-N 3.49Å |
| 905 | G | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 11 Ų | 11 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -57.1 | -23.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V902 R903 L907 A908 T931 | V902-G905 PolarHBondContact O-N 3.07Å; V902-G905 VanDerWaalsContact O-N 3.12Å; R903-G905 PolarHBondContact O-N 2.59Å; G905-L907 PolarHBondContact O-N 2.96Å; G905-A908 PolarHBondContact O-N 2.92Å; G905-T931 PolarHBondContact O-OG1 3.25Å |
| 906 | Q | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -65.8 | -26.9 | 174.7 | -67.4 | 174.8 | 99.8 | 0 | 0 | 112.7 | N722 N727 R903 R904 A908 A929 | N722-Q906 WeakPolarHBondContact CB-O 3.28Å; N727-Q906 PolarHBondContact ND2-OE1 3.17Å; N727-Q906 PolarHBondContact OD1-NE2 3.43Å; R903-Q906 VanDerWaalsContact O-CB 3.28Å; R903-Q906 WeakPolarHBondContact O-CB 3.3Å; R903-Q906 WeakPolarHBondContact O-CG 3.49Å; R903-Q906 PolarHBondContact O-N 3.17Å; R903-Q906 VanDerWaalsContact O-N 3.12Å; R903-Q906 PolarHBondContact O-NE2 3.39Å; R904-Q906 PolarHBondContact O-N 3.14Å; R904-Q906 VanDerWaalsContact O-N 3.16Å; Q906-A908 VanDerWaalsContact C-N 3.34Å; Q906-A929 HydrophobicContact CG-CB 3.86Å; Q906-A929 WeakPolarHBondContact CG-O 3.46Å |
| 907 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -73.7 | -26 | -176.8 | -59.1 | -177.1 | 0 | 0 | 0 | 113.1 | N722 V725 T820 T821 R822 Y825 W864 R904 G905 | N722-L907 PolarHBondContact ND2-O 3.5Å; N722-L907 WeakPolarHBondContact O-CA 3.41Å; N722-L907 WeakPolarHBondContact O-CD2 3.25Å; V725-L907 HydrophobicContact CG2-CD2 4Å; T820-L907 HydrophobicContact CG2-CD1 3.91Å; T820-L907 HydrophobicContact CG2-CD2 4.24Å; T820-L907 HydrophobicContact CG2-CG 4.15Å; T821-L907 VanDerWaalsContact O-CD1 3.22Å; T821-L907 WeakPolarHBondContact O-CD1 3.45Å; R822-L907 HydrophobicContact CG-CB 4.21Å; R822-L907 PolarHBondContact NE-O 2.99Å; R822-L907 PolarHBondContact NH2-O 3.22Å; Y825-L907 HydrophobicContact CD2-CD1 3.63Å; Y825-L907 HydrophobicContact CE2-CD1 3.65Å; W864-L907 HydrophobicContact CH2-CD1 4.34Å; W864-L907 HydrophobicContact CZ3-CB 4.19Å; R904-L907 WeakPolarHBondContact O-CB 3.48Å; R904-L907 PolarHBondContact O-N 3.49Å; G905-L907 PolarHBondContact O-N 2.96Å |
| 908 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -72.9 | 153.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N722 V833 C835 G905 Q906 T931 R984 | N722-A908 PolarHBondContact ND2-O 2.95Å; V833-A908 HydrophobicContact CG1-CB 4.33Å; C835-A908 HydrophobicContact CB-CB 3.76Å; C835-A908 WeakPolarHBondContact SG-CB 3.05Å; G905-A908 PolarHBondContact O-N 2.92Å; Q906-A908 VanDerWaalsContact C-N 3.34Å; A908-T931 HydrophobicContact CB-CG2 4.34Å; A908-R984 PolarHBondContact O-NH1 2.68Å | ||
| 909 | D | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 4.9 Ų | 4.9 | 1% | 0.011 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -85.7 | -44.9 | 175.2 | -64.5 | -66.6 | 0 | 0 | 0 | 110.5 | N722 R723 R822 I832 V833 L980 R984 | N722-D909 PolarHBondContact ND2-OD1 3.33Å; R723-D909 IonicContact NH1-OD1 3.86Å; R723-D909 PolarHBondContact NH1-OD1 3.36Å; R723-D909 IonicContact NH1-OD2 3.02Å; R822-D909 IonicContact CZ-OD2 3.91Å; R822-D909 IonicContact NH1-OD2 2.87Å; R822-D909 VanDerWaalsContact NH2-CG 3.31Å; R822-D909 IonicContact NH2-OD1 3.58Å; R822-D909 PolarHBondContact NH2-OD1 3.02Å; R822-D909 IonicContact NH2-OD2 2.63Å; R822-D909 PolarHBondContact NH2-OD2 3.09Å; I832-D909 VanDerWaalsContact CA-OD2 3.31Å; I832-D909 WeakPolarHBondContact CA-OD2 3.48Å; I832-D909 HydrophobicContact CD1-CB 4.17Å; I832-D909 HydrophobicContact CG2-CB 4.24Å; V833-D909 PolarHBondContact N-OD2 2.99Å; V833-D909 PolarHBondContact O-N 3.07Å; D909-L980 HydrophobicContact CB-CD2 4.07Å; D909-R984 PolarHBondContact O-NH1 3.3Å |
| 910 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 138.5 | -175.8 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | V833 Y834 C835 L912 P932 V934 L973 L980 | V833-V910 PolarHBondContact O-N 3.2Å; Y834-V910 CarbonylContact C-O 3.54Å; Y834-V910 VanDerWaalsContact CA-O 3.23Å; Y834-V910 WeakPolarHBondContact CA-O 3.32Å; Y834-V910 HydrophobicContact CD1-CB 3.7Å; Y834-V910 HydrophobicContact CD1-CG1 4Å; Y834-V910 HydrophobicContact CE1-CB 3.82Å; Y834-V910 HydrophobicContact CE1-CG1 4.02Å; Y834-V910 HydrophobicContact CE1-CG2 4.2Å; C835-V910 PolarHBondContact N-O 3.09Å; V910-L912 HydrophobicContact CG1-CD2 4.37Å; V910-P932 CarbonylContact C-O 3.49Å; V910-P932 WeakPolarHBondContact CA-O 3.39Å; V910-V934 HydrophobicContact CG1-CG2 3.91Å; V910-L973 HydrophobicContact CG1-CD1 4.13Å; V910-L973 HydrophobicContact CG2-CB 3.76Å; V910-L973 HydrophobicContact CG2-CD1 4.23Å; V910-L980 HydrophobicContact CG2-CD1 3.7Å |
| 911 | C | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 6.7 Ų | 6.7 | 2% | 0.02 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.3 | 168.4 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | C835 V926 T931 P932 M933 V934 | C835-C911 CarbonylContact O-C 3.42Å; C835-C911 VanDerWaalsContact O-CA 3.3Å; C835-C911 WeakPolarHBondContact O-CA 3.43Å; C911-V926 HydrophobicContact CB-CB 4.33Å; C911-V926 HydrophobicContact CB-CG1 3.96Å; C911-V926 HydrophobicContact CB-CG2 3.61Å; C911-T931 HydrophobicContact CB-CG2 4.48Å; C911-P932 PolarHBondContact N-O 2.96Å; C911-M933 HydrophobicContact CB-CB 4Å; C911-M933 HydrophobicContact CB-CG 4.06Å; C911-M933 CarbonylContact O-C 3.53Å; C911-M933 VanDerWaalsContact O-CA 3.31Å; C911-M933 WeakPolarHBondContact O-CA 3.4Å; C911-V934 PolarHBondContact O-N 3.07Å |
| 912 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 103.6 | 175.6 | -65.8 | -174.7 | 0 | 0 | 0 | 108.3 | Y834 C835 N836 W851 I854 L863 V910 Y966 A970 | Y834-L912 HydrophobicContact CD1-CD1 3.87Å; Y834-L912 HydrophobicContact CD1-CD2 3.62Å; Y834-L912 HydrophobicContact CD1-CG 3.68Å; Y834-L912 HydrophobicContact CE1-CD2 4.03Å; Y834-L912 HydrophobicContact CG-CD1 3.88Å; Y834-L912 HydrophobicContact CG-CD2 4.46Å; Y834-L912 HydrophobicContact CG-CG 4.11Å; C835-L912 PolarHBondContact O-N 3.27Å; N836-L912 WeakPolarHBondContact CB-O 3.49Å; N836-L912 PolarHBondContact ND2-O 3.41Å; W851-L912 HydrophobicContact CD2-CD1 4.42Å; W851-L912 HydrophobicContact CG-CD1 3.99Å; W851-L912 HydrophobicContact CZ2-CB 4.18Å; I854-L912 HydrophobicContact CD1-CD1 4.32Å; I854-L912 HydrophobicContact CD1-CD2 4.33Å; L863-L912 HydrophobicContact CD1-CD1 4.2Å; V910-L912 HydrophobicContact CG1-CD2 4.37Å; L912-Y966 VanDerWaalsContact CA-OH 3.27Å; L912-Y966 WeakPolarHBondContact CA-OH 3.32Å; L912-Y966 VanDerWaalsContact CB-OH 3.3Å; L912-Y966 WeakPolarHBondContact CB-OH 3.41Å; L912-Y966 HydrophobicContact CD2-CE1 4.16Å; L912-A970 HydrophobicContact CD2-CB 3.84Å |
| 913 | D | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | trans | -70.8 | 158.5 | 178.6 | -174 | 40.6 | 0 | 0 | 0 | 112.3 | N918 G919 M933 V934 T935 A946 Y966 | D913-N918 VanDerWaalsContact OD1-CA 3.31Å; D913-N918 WeakPolarHBondContact OD1-CA 3.4Å; D913-N918 WeakPolarHBondContact OD2-CB 3.47Å; D913-N918 VanDerWaalsContact OD2-CG 3.25Å; D913-N918 PolarHBondContact OD2-ND2 3.2Å; D913-G919 PolarHBondContact OD1-N 3.16Å; D913-M933 HydrophobicContact CB-CG 3.94Å; D913-M933 HydrophobicContact CB-SD 3.99Å; D913-V934 WeakPolarHBondContact CB-O 3.44Å; D913-V934 PolarHBondContact N-O 3.02Å; D913-T935 WeakPolarHBondContact OD2-CB 3.4Å; D913-T935 PolarHBondContact OD2-OG1 3.23Å; D913-A946 VanDerWaalsContact OD2-CB 3.29Å; D913-A946 WeakPolarHBondContact OD2-CB 3.42Å; D913-Y966 PolarHBondContact N-OH 2.91Å; D913-Y966 PolarHBondContact O-OH 2.95Å | ||
| 914 | T | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -96.6 | 114.1 | 178.4 | 34.2 | 0 | 0 | 0 | 0 | 110.5 | K842 I843 T847 W851 L916 C917 N918 | K842-T914 HydrophobicContact CB-CG2 4.16Å; K842-T914 WeakPolarHBondContact O-CB 3.26Å; K842-T914 WeakPolarHBondContact O-CG2 3.21Å; I843-T914 HydrophobicContact CG1-CG2 4.18Å; T847-T914 HydrophobicContact CG2-CG2 4.2Å; W851-T914 HydrophobicContact CH2-CG2 3.85Å; W851-T914 HydrophobicContact CZ2-CG2 3.88Å; T914-L916 VanDerWaalsContact C-N 3.28Å; T914-L916 PolarHBondContact O-N 2.72Å; T914-C917 WeakPolarHBondContact CB-O 3.39Å; T914-C917 CarbonylContact O-C 3.26Å; T914-C917 PolarHBondContact O-N 3.13Å; T914-C917 PolarHBondContact OG1-O 3.46Å; T914-N918 PolarHBondContact O-N 2.95Å; T914-N918 PolarHBondContact O-ND2 2.88Å | ||
| 915 | P | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 6.6 Ų | 6.6 | 10% | 0.104 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -64.7 | -27.1 | -177.9 | -25 | 35.3 | 0 | 0 | 0 | 114.9 | M850 M936 S943 | M850-P915 HydrophobicContact CE-CG 4.03Å; P915-M936 HydrophobicContact CB-CB 4.47Å; P915-M936 HydrophobicContact CB-CE 3.72Å; P915-M936 HydrophobicContact CG-CB 4.23Å; P915-M936 HydrophobicContact CG-CE 3.95Å; P915-S943 WeakPolarHBondContact O-CB 3.47Å |
| 916 | L | 97 | Very high | 98.2 | Very high | 36 Ų | 36 | 6.8 Ų | 6.8 | 19% | 0.188 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -62.8 | -45.4 | 178 | 179.2 | 63.4 | 0 | 0 | 0 | 111.8 | M501 L502 D844 T914 | M501-L916 WeakPolarHBondContact O-CD1 3.5Å; L502-L916 HydrophobicContact CD2-CD2 4.34Å; D844-L916 HydrophobicContact CB-CD2 4.26Å; T914-L916 VanDerWaalsContact C-N 3.28Å; T914-L916 PolarHBondContact O-N 2.72Å |
| 917 | C | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.007 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -149.2 | 120.6 | 176 | 170.4 | 0 | 0 | 0 | 0 | 107.2 | M501 K842 T914 | M501-C917 HydrophobicContact CE-CB 3.36Å; M501-C917 WeakPolarHBondContact CE-SG 3.41Å; K842-C917 HydrophobicContact CB-CB 4.32Å; K842-C917 HydrophobicContact CD-CB 3.89Å; K842-C917 WeakPolarHBondContact CD-O 3.44Å; K842-C917 WeakPolarHBondContact CD-SG 3.5Å; K842-C917 WeakPolarHBondContact CE-SG 3.33Å; K842-C917 HydrophobicContact CG-CB 3.98Å; T914-C917 WeakPolarHBondContact CB-O 3.39Å; T914-C917 CarbonylContact O-C 3.26Å; T914-C917 PolarHBondContact O-N 3.13Å; T914-C917 PolarHBondContact OG1-O 3.46Å |
| 918 | N | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -70.8 | 165.2 | -176.6 | -56 | 150.4 | 0 | 0 | 0 | 112.6 | K842 D913 T914 H920 A942 S943 R944 V945 A946 | K842-N918 PolarHBondContact NZ-O 3.45Å; D913-N918 VanDerWaalsContact OD1-CA 3.31Å; D913-N918 WeakPolarHBondContact OD1-CA 3.4Å; D913-N918 WeakPolarHBondContact OD2-CB 3.47Å; D913-N918 VanDerWaalsContact OD2-CG 3.25Å; D913-N918 PolarHBondContact OD2-ND2 3.2Å; T914-N918 PolarHBondContact O-N 2.95Å; T914-N918 PolarHBondContact O-ND2 2.88Å; N918-H920 PolarHBondContact O-CD2 2.93Å; N918-H920 PolarHBondContact O-N 3.29Å; N918-H920 VanDerWaalsContact O-N 3.14Å; N918-A942 PolarHBondContact N-O 3.42Å; N918-S943 VanDerWaalsContact CG-C 3.47Å; N918-S943 PolarHBondContact ND2-O 2.93Å; N918-S943 PolarHBondContact OD1-O 3.37Å; N918-S943 VanDerWaalsContact OD1-O 3.07Å; N918-R944 VanDerWaalsContact OD1-CA 3.31Å; N918-R944 WeakPolarHBondContact OD1-CA 3.44Å; N918-R944 PolarHBondContact OD1-N 3.09Å; N918-V945 HydrophobicContact CB-CB 4.47Å; N918-V945 PolarHBondContact OD1-N 2.74Å; N918-A946 HydrophobicContact CB-CB 3.66Å; N918-A946 PolarHBondContact OD1-N 2.99Å | ||
| 919 | G | 96.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -66.6 | 98.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N838 D913 G923 | N838-G919 WeakPolarHBondContact OD1-CA 3.41Å; D913-G919 PolarHBondContact OD1-N 3.16Å; G919-G923 WeakPolarHBondContact O-CA 3.33Å; G919-G923 PolarHBondContact O-N 3.25Å | ||
| 920 | H | 97.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 6.8 Ų | 6.8 | 12% | 0.12 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -74.3 | -77.2 | 173.5 | -58.1 | 165.4 | 0 | 0 | 0 | 109.1 | P656 F694 N918 G923 M924 A942 V945 Q949 | P656-H920 VanDerWaalsContact CB-CE1 3.41Å; P656-H920 WeakPolarHBondContact CB-CE1 3.46Å; F694-H920 HydrophobicContact CE1-CB 4.48Å; F694-H920 WeakPolarHBondContact CE1-O 3.45Å; F694-H920 HydrophobicContact CE2-CB 3.7Å; F694-H920 HydrophobicContact CZ-CB 3.54Å; N918-H920 PolarHBondContact O-CD2 2.93Å; N918-H920 PolarHBondContact O-N 3.29Å; N918-H920 VanDerWaalsContact O-N 3.14Å; H920-G923 PolarHBondContact O-N 3.4Å; H920-M924 PolarHBondContact O-N 3.23Å; H920-A942 PolarHBondContact NE2-O 2.93Å; H920-V945 HydrophobicContact CB-CG1 4.41Å; H920-V945 VanDerWaalsContact CD2-CB 3.43Å; H920-V945 WeakPolarHBondContact CD2-CB 3.39Å; H920-V945 VanDerWaalsContact CD2-CG2 3.48Å; H920-V945 WeakPolarHBondContact CD2-CG2 3.22Å; H920-V945 WeakPolarHBondContact NE2-CG2 3.33Å; H920-Q949 PolarHBondContact O-NE2 3.34Å |
| 921 | T | 97 | Very high | 98.1 | Very high | 30 Ų | 30 | 6.8 Ų | 6.8 | 18% | 0.184 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 171.9 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | P559 G923 M924 D925 | P559-T921 HydrophobicContact CB-CG2 4.18Å; T921-G923 VanDerWaalsContact C-N 3.26Å; T921-G923 PolarHBondContact O-N 3.47Å; T921-M924 PolarHBondContact O-N 3.01Å; T921-D925 PolarHBondContact O-N 2.73Å |
| 922 | T | 97.3 | Very high | 98.1 | Very high | 16 Ų | 16 | 6.7 Ų | 6.7 | 10% | 0.098 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.4 | -31.9 | 180 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | F837 N838 D925 V926 | F837-T922 HydrophobicContact CB-CG2 3.93Å; N838-T922 PolarHBondContact OD1-OG1 2.98Å; T922-D925 PolarHBondContact O-N 3.46Å; T922-V926 PolarHBondContact O-N 2.97Å |
| 923 | G | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | G919 H920 T921 D925 V926 L927 | G919-G923 WeakPolarHBondContact O-CA 3.33Å; G919-G923 PolarHBondContact O-N 3.25Å; H920-G923 PolarHBondContact O-N 3.4Å; T921-G923 VanDerWaalsContact C-N 3.26Å; T921-G923 PolarHBondContact O-N 3.47Å; G923-D925 VanDerWaalsContact C-N 3.3Å; G923-D925 PolarHBondContact O-N 3.06Å; G923-V926 WeakPolarHBondContact O-CG1 3.39Å; G923-V926 PolarHBondContact O-N 2.91Å; G923-L927 WeakPolarHBondContact O-CB 3.3Å; G923-L927 WeakPolarHBondContact O-CG 3.49Å; G923-L927 PolarHBondContact O-N 2.99Å |
| 924 | M | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.8 | -58.2 | -55.9 | -73.8 | 0 | 0 | 112.3 | L563 F694 H698 H920 T921 V926 W928 Q949 L996 F997 | L563-M924 HydrophobicContact CD2-CB 4.49Å; L563-M924 HydrophobicContact CD2-CG 4.39Å; F694-M924 HydrophobicContact CD1-CG 3.42Å; F694-M924 VanDerWaalsContact CD1-CG 3.42Å; F694-M924 HydrophobicContact CD1-SD 3.76Å; F694-M924 HydrophobicContact CE1-CG 3.47Å; F694-M924 VanDerWaalsContact CE1-CG 3.47Å; F694-M924 HydrophobicContact CE1-SD 4.41Å; H698-M924 VanDerWaalsContact CE1-CB 3.49Å; H698-M924 WeakPolarHBondContact CE1-CB 3.28Å; H920-M924 PolarHBondContact O-N 3.23Å; T921-M924 PolarHBondContact O-N 3.01Å; M924-V926 PolarHBondContact O-N 3.34Å; M924-W928 VanDerWaalsContact O-CB 3.32Å; M924-W928 WeakPolarHBondContact O-CB 3Å; M924-W928 PolarHBondContact O-N 2.95Å; M924-Q949 HydrophobicContact SD-CG 3.88Å; M924-L996 HydrophobicContact CE-CD1 3.75Å; M924-L996 HydrophobicContact CE-CD2 4.35Å; M924-L996 HydrophobicContact CE-CG 3.68Å; M924-L996 WeakPolarHBondContact CE-O 3.47Å; M924-L996 HydrophobicContact SD-CD1 3.92Å; M924-L996 HydrophobicContact SD-CD2 4.43Å; M924-L996 HydrophobicContact SD-CG 4.21Å; M924-F997 HydrophobicContact CB-CE1 4.17Å; M924-F997 HydrophobicContact CB-CZ 4.39Å; M924-F997 HydrophobicContact CE-CD1 3.84Å; M924-F997 HydrophobicContact CE-CE1 3.45Å; M924-F997 VanDerWaalsContact CE-CE1 3.45Å; M924-F997 HydrophobicContact CE-CE2 4.31Å; M924-F997 HydrophobicContact CE-CG 4.43Å; M924-F997 HydrophobicContact CE-CZ 3.71Å; M924-F997 WeakPolarHBondContact O-CZ 3.48Å; M924-F997 HydrophobicContact SD-CZ 4.48Å |
| 925 | D | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 6.6 Ų | 6.6 | 3% | 0.027 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 177.3 | -64.1 | -20.1 | 0 | 0 | 0 | 111.8 | H698 K898 H901 V902 T921 T922 G923 W928 A929 | H698-D925 IonicContact CD2-OD1 2.84Å; H698-D925 IonicContact CE1-OD1 3.82Å; H698-D925 IonicContact NE2-OD1 3.74Å; H698-D925 PolarHBondContact NE2-OD1 2.97Å; K898-D925 WeakPolarHBondContact CE-OD1 3.19Å; K898-D925 IonicContact NZ-OD1 3.21Å; K898-D925 PolarHBondContact NZ-OD1 3.19Å; K898-D925 IonicContact NZ-OD2 2.66Å; K898-D925 PolarHBondContact NZ-OD2 2.86Å; H901-D925 IonicContact CD2-OD2 3.16Å; H901-D925 PolarHBondContact CD2-OD2 3.44Å; H901-D925 IonicContact NE2-OD2 2.83Å; H901-D925 PolarHBondContact NE2-OD2 3.36Å; V902-D925 HydrophobicContact CG2-CB 3.88Å; T921-D925 PolarHBondContact O-N 2.73Å; T922-D925 PolarHBondContact O-N 3.46Å; G923-D925 VanDerWaalsContact C-N 3.3Å; G923-D925 PolarHBondContact O-N 3.06Å; D925-W928 PolarHBondContact O-N 3.17Å; D925-A929 PolarHBondContact O-N 2.7Å |
| 926 | V | 98.3 | Very high | 98.2 | Very high | 5 Ų | 5 | 7.2 Ų | 7.2 | 3% | 0.03 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -77.3 | -33.7 | -175.7 | 78.1 | 0 | 0 | 0 | 0 | 112.8 | C911 T922 G923 M924 W928 A929 G930 T931 M933 | C911-V926 HydrophobicContact CB-CB 4.33Å; C911-V926 HydrophobicContact CB-CG1 3.96Å; C911-V926 HydrophobicContact CB-CG2 3.61Å; T922-V926 PolarHBondContact O-N 2.97Å; G923-V926 WeakPolarHBondContact O-CG1 3.39Å; G923-V926 PolarHBondContact O-N 2.91Å; M924-V926 PolarHBondContact O-N 3.34Å; V926-W928 VanDerWaalsContact C-N 3.35Å; V926-A929 WeakPolarHBondContact O-CB 3.49Å; V926-A929 PolarHBondContact O-N 3.42Å; V926-G930 PolarHBondContact O-N 2.97Å; V926-T931 HydrophobicContact CG2-CG2 3.7Å; V926-T931 PolarHBondContact O-N 3.07Å; V926-M933 HydrophobicContact CG1-CB 4.16Å; V926-M933 HydrophobicContact CG1-SD 4.05Å |
| 927 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | 172.4 | -65.1 | -179.4 | 0 | 0 | 0 | 111 | G923 A929 G930 M933 Q949 L950 L953 V987 R991 L996 F997 | G923-L927 WeakPolarHBondContact O-CB 3.3Å; G923-L927 WeakPolarHBondContact O-CG 3.49Å; G923-L927 PolarHBondContact O-N 2.99Å; L927-A929 VanDerWaalsContact C-N 3.32Å; L927-G930 WeakPolarHBondContact O-CA 3.2Å; L927-G930 PolarHBondContact O-N 3.39Å; L927-M933 HydrophobicContact CD1-CE 4.45Å; L927-M933 HydrophobicContact CD2-CB 4.36Å; L927-Q949 HydrophobicContact CD1-CB 3.96Å; L927-L950 HydrophobicContact CD2-CD2 3.97Å; L927-L953 HydrophobicContact CD1-CD2 4.49Å; L927-L953 HydrophobicContact CD2-CD2 3.9Å; L927-V987 HydrophobicContact CD2-CG1 4.29Å; L927-R991 WeakPolarHBondContact O-CD 3.15Å; L927-L996 HydrophobicContact CB-CD2 4.49Å; L927-L996 HydrophobicContact CD1-CD2 3.73Å; L927-F997 HydrophobicContact CB-CE2 4.31Å; L927-F997 HydrophobicContact CB-CZ 4.23Å |
| 928 | W | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.008 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.9 | -35.2 | 169.9 | -167.7 | -109.6 | 0 | 0 | 0 | 111.5 | H698 A699 F702 K706 V902 M924 D925 V926 G930 R991 I992 F997 | H698-W928 HydrophobicContact CB-CB 3.91Å; H698-W928 HydrophobicContact CB-CD2 3.45Å; H698-W928 VanDerWaalsContact CB-CD2 3.45Å; H698-W928 HydrophobicContact CB-CE3 3.96Å; H698-W928 HydrophobicContact CB-CG 3.4Å; H698-W928 VanDerWaalsContact CB-CG 3.4Å; H698-W928 AromaticContact CD2-CG 3.99Å; H698-W928 AromaticContact CG-CG 3.98Å; H698-W928 WeakPolarHBondContact O-CZ2 3.48Å; A699-W928 HydrophobicContact CB-CH2 3.64Å; A699-W928 HydrophobicContact CB-CZ2 4.31Å; A699-W928 HydrophobicContact CB-CZ3 4.09Å; F702-W928 PolarHBondContact O-NE1 3.1Å; F702-W928 VanDerWaalsContact O-NE1 3.08Å; K706-W928 HydrophobicContact CG-CH2 4.14Å; K706-W928 HydrophobicContact CG-CZ2 3.87Å; V902-W928 HydrophobicContact CG1-CB 4.4Å; M924-W928 VanDerWaalsContact O-CB 3.32Å; M924-W928 WeakPolarHBondContact O-CB 3Å; M924-W928 PolarHBondContact O-N 2.95Å; D925-W928 PolarHBondContact O-N 3.17Å; V926-W928 VanDerWaalsContact C-N 3.35Å; W928-G930 PolarHBondContact O-N 2.86Å; W928-G930 VanDerWaalsContact O-N 3.1Å; W928-R991 WeakPolarHBondContact O-CD 3.37Å; W928-R991 PolarHBondContact O-NH1 3.12Å; W928-I992 HydrophobicContact CH2-CD1 3.71Å; W928-I992 HydrophobicContact CZ3-CD1 3.88Å; W928-F997 HydrophobicContact CB-CE1 4Å; W928-F997 HydrophobicContact CB-CZ 3.83Å; W928-F997 HydrophobicContact CD2-CD1 4.49Å; W928-F997 HydrophobicContact CD2-CE1 4.42Å; W928-F997 HydrophobicContact CE3-CB 4.18Å; W928-F997 AromaticContact CE3-CD1 3.66Å; W928-F997 HydrophobicContact CE3-CD1 3.66Å; W928-F997 AromaticContact CE3-CD2 3.67Å; W928-F997 HydrophobicContact CE3-CD2 3.67Å; W928-F997 AromaticContact CE3-CE1 3.85Å; W928-F997 HydrophobicContact CE3-CE1 3.85Å; W928-F997 AromaticContact CE3-CE2 3.87Å; W928-F997 HydrophobicContact CE3-CE2 3.87Å; W928-F997 AromaticContact CE3-CG 3.56Å; W928-F997 HydrophobicContact CE3-CG 3.56Å; W928-F997 AromaticContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CZ3-CB 3.79Å; W928-F997 HydrophobicContact CZ3-CD1 4.13Å; W928-F997 AromaticContact CZ3-CD2 3.96Å; W928-F997 HydrophobicContact CZ3-CD2 3.96Å; W928-F997 AromaticContact CZ3-CG 3.7Å; W928-F997 HydrophobicContact CZ3-CG 3.7Å |
| 929 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q906 D925 V926 L927 T931 W988 | Q906-A929 HydrophobicContact CG-CB 3.86Å; Q906-A929 WeakPolarHBondContact CG-O 3.46Å; D925-A929 PolarHBondContact O-N 2.7Å; V926-A929 WeakPolarHBondContact O-CB 3.49Å; V926-A929 PolarHBondContact O-N 3.42Å; L927-A929 VanDerWaalsContact C-N 3.32Å; A929-T931 VanDerWaalsContact C-N 3.26Å; A929-T931 PolarHBondContact O-N 3.36Å; A929-W988 WeakPolarHBondContact O-CZ3 3.49Å |
| 930 | G | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 24 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V926 L927 W928 | V926-G930 PolarHBondContact O-N 2.97Å; L927-G930 WeakPolarHBondContact O-CA 3.2Å; L927-G930 PolarHBondContact O-N 3.39Å; W928-G930 PolarHBondContact O-N 2.86Å; W928-G930 VanDerWaalsContact O-N 3.1Å |
| 931 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -95.6 | 122.7 | 177.8 | -68.5 | 0 | 0 | 0 | 0 | 108.9 | G905 A908 C911 V926 A929 | G905-T931 PolarHBondContact O-OG1 3.25Å; A908-T931 HydrophobicContact CB-CG2 4.34Å; C911-T931 HydrophobicContact CB-CG2 4.48Å; V926-T931 HydrophobicContact CG2-CG2 3.7Å; V926-T931 PolarHBondContact O-N 3.07Å; A929-T931 VanDerWaalsContact C-N 3.26Å; A929-T931 PolarHBondContact O-N 3.36Å | ||
| 932 | P | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -57.6 | 138.6 | 177.5 | -24.3 | 33.2 | 0 | 0 | 0 | 111.6 | V910 C911 L958 I983 R984 V987 | V910-P932 CarbonylContact C-O 3.49Å; V910-P932 WeakPolarHBondContact CA-O 3.39Å; C911-P932 PolarHBondContact N-O 2.96Å; P932-L958 HydrophobicContact CB-CD1 3.96Å; P932-L958 HydrophobicContact CB-CD2 4.35Å; P932-I983 HydrophobicContact CB-CG2 3.83Å; P932-I983 HydrophobicContact CG-CG2 3.72Å; P932-R984 HydrophobicContact CG-CB 4.39Å; P932-R984 HydrophobicContact CG-CG 3.63Å; P932-V987 HydrophobicContact CB-CG2 4.29Å; P932-V987 HydrophobicContact CG-CG2 4.14Å | ||
| 933 | M | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.1 | 177.2 | -179.7 | 173.4 | 61.6 | 0 | 0 | 109.7 | C911 D913 V926 L927 A946 L950 L958 | C911-M933 HydrophobicContact CB-CB 4Å; C911-M933 HydrophobicContact CB-CG 4.06Å; C911-M933 CarbonylContact O-C 3.53Å; C911-M933 VanDerWaalsContact O-CA 3.31Å; C911-M933 WeakPolarHBondContact O-CA 3.4Å; D913-M933 HydrophobicContact CB-CG 3.94Å; D913-M933 HydrophobicContact CB-SD 3.99Å; V926-M933 HydrophobicContact CG1-CB 4.16Å; V926-M933 HydrophobicContact CG1-SD 4.05Å; L927-M933 HydrophobicContact CD1-CE 4.45Å; L927-M933 HydrophobicContact CD2-CB 4.36Å; M933-A946 HydrophobicContact CE-CB 3.54Å; M933-A946 HydrophobicContact SD-CB 4.36Å; M933-L950 HydrophobicContact CE-CG 4.46Å; M933-L950 WeakPolarHBondContact O-CD1 3.46Å; M933-L958 WeakPolarHBondContact O-CB 3.38Å |
| 934 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.5 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | V910 C911 D913 L958 Y966 I969 A970 L973 | V910-V934 HydrophobicContact CG1-CG2 3.91Å; C911-V934 PolarHBondContact O-N 3.07Å; D913-V934 WeakPolarHBondContact CB-O 3.44Å; D913-V934 PolarHBondContact N-O 3.02Å; V934-L958 HydrophobicContact CG2-CD2 4.48Å; V934-Y966 HydrophobicContact CB-CE2 4.33Å; V934-Y966 HydrophobicContact CG1-CD1 4.38Å; V934-Y966 HydrophobicContact CG1-CD2 3.74Å; V934-Y966 HydrophobicContact CG1-CE1 4.47Å; V934-Y966 HydrophobicContact CG1-CE2 3.9Å; V934-Y966 HydrophobicContact CG1-CG 4.02Å; V934-Y966 WeakPolarHBondContact O-CE2 3.43Å; V934-I969 HydrophobicContact CG1-CB 4.21Å; V934-I969 HydrophobicContact CG1-CG2 3.95Å; V934-I969 HydrophobicContact CG2-CG2 3.8Å; V934-A970 HydrophobicContact CG2-CB 4.47Å; V934-L973 HydrophobicContact CG2-CD1 3.61Å |
| 935 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | B | Isolated β-bridge | trans | -132.8 | 165.5 | 177.7 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | D913 A946 A947 L950 L958 I959 A960 | D913-T935 WeakPolarHBondContact OD2-CB 3.4Å; D913-T935 PolarHBondContact OD2-OG1 3.23Å; T935-A946 HydrophobicContact CG2-CB 4.13Å; T935-A947 HydrophobicContact CG2-CB 4.08Å; T935-L950 HydrophobicContact CG2-CD1 3.54Å; T935-L958 PolarHBondContact N-O 3.2Å; T935-L958 VanDerWaalsContact N-O 3.12Å; T935-I959 HydrophobicContact CG2-CG1 4.37Å; T935-I959 HydrophobicContact CG2-CG2 4.49Å; T935-A960 WeakPolarHBondContact O-CB 3.46Å; T935-A960 PolarHBondContact O-N 3.34Å |
| 936 | M | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 14.1 Ų | 14.1 | 14% | 0.138 | 8% | 0.076 | C | C | . | . | trans | -137.4 | 108.8 | 172.9 | -177.6 | -176.3 | 79.6 | 0 | 0 | 107.7 | P915 G938 A960 R963 Y966 | P915-M936 HydrophobicContact CB-CB 4.47Å; P915-M936 HydrophobicContact CB-CE 3.72Å; P915-M936 HydrophobicContact CG-CB 4.23Å; P915-M936 HydrophobicContact CG-CE 3.95Å; M936-G938 PolarHBondContact O-N 3.5Å; M936-A960 WeakPolarHBondContact CA-O 3.36Å; M936-A960 HydrophobicContact CB-CB 4.3Å; M936-A960 WeakPolarHBondContact CG-O 3.09Å; M936-R963 HydrophobicContact CE-CG 3.85Å; M936-R963 HydrophobicContact SD-CB 4.45Å; M936-R963 HydrophobicContact SD-CG 3.88Å; M936-R963 PolarHBondContact SD-N 3.38Å; M936-Y966 HydrophobicContact CB-CD2 3.97Å | ||
| 937 | P | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 14 Ų | 14 | 24% | 0.24 | 8% | 0.076 | C | C | . | . | trans | -64.5 | 128.2 | -178 | 25.4 | -31.1 | 0 | 0 | 0 | 110.4 | S943 R944 A947 I959 A960 | P937-S943 WeakPolarHBondContact CA-O 3.44Å; P937-R944 HydrophobicContact CB-CG 4.03Å; P937-A947 HydrophobicContact CB-CB 3.87Å; P937-A947 HydrophobicContact CG-CB 4.16Å; P937-I959 HydrophobicContact CG-CG2 4.01Å; P937-A960 VanDerWaalsContact CD-O 3.27Å; P937-A960 WeakPolarHBondContact CD-O 3.38Å | ||
| 938 | G | 95.5 | Very high | 98.1 | Very high | 24 Ų | 24 | 14 Ų | 14 | 25% | 0.247 | 8% | 0.076 | C | C | . | . | trans | -88.1 | -152.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M936 S943 R944 | M936-G938 PolarHBondContact O-N 3.5Å; G938-S943 WeakPolarHBondContact CA-OG 3.5Å; G938-S943 PolarHBondContact N-O 2.89Å; G938-R944 VanDerWaalsContact O-CD 3.26Å; G938-R944 WeakPolarHBondContact O-CD 3.29Å; G938-R944 VanDerWaalsContact O-CG 3.23Å; G938-R944 WeakPolarHBondContact O-CG 3.33Å; G938-R944 PolarHBondContact O-NH1 2.91Å | ||
| 939 | E | 94.3 | Very high | 98.1 | Very high | 125 Ų | 125 | 14 Ų | 14 | 58% | 0.584 | 8% | 0.076 | S | C | * | . | S | Bend | trans | -98.6 | -30.4 | -178.2 | -59.3 | 176.6 | 170.3 | 0 | 0 | 113.7 | H507 Q681 S943 | H507-E939 IonicContact CE1-OE2 3.63Å; H507-E939 PolarHBondContact CE1-OE2 2.94Å; H507-E939 VanDerWaalsContact CE1-OE2 3.3Å; H507-E939 IonicContact NE2-OE2 2.74Å; H507-E939 PolarHBondContact NE2-OE2 3.35Å; Q681-E939 PolarHBondContact NE2-O 3.27Å; Q681-E939 PolarHBondContact OE1-O 3.36Å; E939-S943 PolarHBondContact N-OG 3.27Å |
| 940 | T | 97.6 | Very high | 98.2 | Very high | 15 Ų | 15 | 14 Ų | 14 | 9% | 0.092 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -83.5 | 154.4 | -178.7 | 72.2 | 0 | 0 | 0 | 0 | 110.9 | A942 S943 R944 | T940-A942 PolarHBondContact O-N 3.39Å; T940-S943 WeakPolarHBondContact CA-OG 3.06Å; T940-S943 PolarHBondContact N-OG 2.93Å; T940-S943 PolarHBondContact O-N 3.15Å; T940-S943 PolarHBondContact O-OG 3.25Å; T940-S943 WeakPolarHBondContact OG1-CB 3.21Å; T940-S943 PolarHBondContact OG1-N 3.27Å; T940-S943 PolarHBondContact OG1-OG 3.01Å; T940-R944 WeakPolarHBondContact O-CG 3.3Å; T940-R944 PolarHBondContact O-N 3.13Å |
| 941 | L | 98.2 | Very high | 98.2 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 4% | 0.037 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -46.9 | -51.7 | 171.2 | -173 | 163.2 | 0 | 0 | 0 | 110.7 | P656 I667 T673 Y682 F693 S943 R944 V945 | P656-L941 HydrophobicContact CB-CD2 3.96Å; I667-L941 HydrophobicContact CD1-CD1 3.91Å; T673-L941 HydrophobicContact CG2-CB 4.33Å; T673-L941 HydrophobicContact CG2-CD2 3.98Å; T673-L941 HydrophobicContact CG2-CG 3.64Å; T673-L941 WeakPolarHBondContact CG2-O 3.32Å; Y682-L941 HydrophobicContact CE1-CB 4.38Å; Y682-L941 HydrophobicContact CE1-CD1 4Å; F693-L941 HydrophobicContact CE1-CD2 4.35Å; F693-L941 HydrophobicContact CZ-CD2 4.02Å; L941-S943 PolarHBondContact O-N 3.45Å; L941-S943 VanDerWaalsContact O-N 3.16Å; L941-R944 PolarHBondContact O-N 3.08Å; L941-V945 HydrophobicContact CD2-CG2 3.94Å; L941-V945 WeakPolarHBondContact O-CG2 3.37Å; L941-V945 PolarHBondContact O-N 3.23Å |
| 942 | A | 97.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -62.6 | -25.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M501 P656 N918 H920 T940 | M501-A942 HydrophobicContact CE-CB 3.19Å; M501-A942 HydrophobicContact SD-CB 3.91Å; P656-A942 HydrophobicContact CB-CB 3.91Å; P656-A942 HydrophobicContact CG-CB 4.25Å; N918-A942 PolarHBondContact N-O 3.42Å; H920-A942 PolarHBondContact NE2-O 2.93Å; T940-A942 PolarHBondContact O-N 3.39Å |
| 943 | S | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 3% | 0.028 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -89.6 | 2.2 | 176.4 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | P915 N918 P937 G938 E939 T940 L941 | P915-S943 WeakPolarHBondContact O-CB 3.47Å; N918-S943 VanDerWaalsContact CG-C 3.47Å; N918-S943 PolarHBondContact ND2-O 2.93Å; N918-S943 PolarHBondContact OD1-O 3.37Å; N918-S943 VanDerWaalsContact OD1-O 3.07Å; P937-S943 WeakPolarHBondContact CA-O 3.44Å; G938-S943 WeakPolarHBondContact CA-OG 3.5Å; G938-S943 PolarHBondContact N-O 2.89Å; E939-S943 PolarHBondContact N-OG 3.27Å; T940-S943 WeakPolarHBondContact CA-OG 3.06Å; T940-S943 PolarHBondContact N-OG 2.93Å; T940-S943 PolarHBondContact O-N 3.15Å; T940-S943 PolarHBondContact O-OG 3.25Å; T940-S943 WeakPolarHBondContact OG1-CB 3.21Å; T940-S943 PolarHBondContact OG1-N 3.27Å; T940-S943 PolarHBondContact OG1-OG 3.01Å; L941-S943 PolarHBondContact O-N 3.45Å; L941-S943 VanDerWaalsContact O-N 3.16Å |
| 944 | R | 98.7 | Very high | 98.1 | Very high | 47 Ų | 47 | 17.8 Ų | 17.8 | 18% | 0.177 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -12.1 | -178.8 | -62.2 | 178.7 | 67.2 | 82.4 | 3.7 | 114.8 | E672 T673 N918 P937 G938 T940 L941 A946 A947 S948 | E672-R944 PolarHBondContact O-NE 3.28Å; E672-R944 PolarHBondContact O-NH2 3.47Å; T673-R944 HydrophobicContact CG2-CB 4.12Å; T673-R944 VanDerWaalsContact O-CD 3.23Å; T673-R944 WeakPolarHBondContact O-CD 3.35Å; T673-R944 PolarHBondContact O-NE 3.17Å; N918-R944 VanDerWaalsContact OD1-CA 3.31Å; N918-R944 WeakPolarHBondContact OD1-CA 3.44Å; N918-R944 PolarHBondContact OD1-N 3.09Å; P937-R944 HydrophobicContact CB-CG 4.03Å; G938-R944 VanDerWaalsContact O-CD 3.26Å; G938-R944 WeakPolarHBondContact O-CD 3.29Å; G938-R944 VanDerWaalsContact O-CG 3.23Å; G938-R944 WeakPolarHBondContact O-CG 3.33Å; G938-R944 PolarHBondContact O-NH1 2.91Å; T940-R944 WeakPolarHBondContact O-CG 3.3Å; T940-R944 PolarHBondContact O-N 3.13Å; L941-R944 PolarHBondContact O-N 3.08Å; R944-A946 VanDerWaalsContact C-N 3.33Å; R944-A946 PolarHBondContact O-N 3.37Å; R944-A947 WeakPolarHBondContact O-CB 3.47Å; R944-A947 PolarHBondContact O-N 3.22Å; R944-A947 VanDerWaalsContact O-N 3.09Å; R944-S948 PolarHBondContact O-N 3.43Å; R944-S948 VanDerWaalsContact O-N 3.09Å |
| 945 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53 | -44.3 | -178.7 | -179 | 0 | 0 | 0 | 0 | 113 | T673 F693 F694 N918 H920 L941 A947 S948 Q949 | T673-V945 HydrophobicContact CG2-CG2 4.36Å; F693-V945 HydrophobicContact CE1-CG2 4.18Å; F693-V945 HydrophobicContact CZ-CG2 4.16Å; F694-V945 HydrophobicContact CB-CG1 4.47Å; F694-V945 HydrophobicContact CD2-CG1 3.58Å; F694-V945 HydrophobicContact CE2-CG1 4.02Å; F694-V945 HydrophobicContact CG-CG1 4.03Å; N918-V945 HydrophobicContact CB-CB 4.47Å; N918-V945 PolarHBondContact OD1-N 2.74Å; H920-V945 HydrophobicContact CB-CG1 4.41Å; H920-V945 VanDerWaalsContact CD2-CB 3.43Å; H920-V945 WeakPolarHBondContact CD2-CB 3.39Å; H920-V945 VanDerWaalsContact CD2-CG2 3.48Å; H920-V945 WeakPolarHBondContact CD2-CG2 3.22Å; H920-V945 WeakPolarHBondContact NE2-CG2 3.33Å; L941-V945 HydrophobicContact CD2-CG2 3.94Å; L941-V945 WeakPolarHBondContact O-CG2 3.37Å; L941-V945 PolarHBondContact O-N 3.23Å; V945-A947 VanDerWaalsContact C-N 3.32Å; V945-A947 PolarHBondContact O-N 2.93Å; V945-S948 PolarHBondContact O-N 3.37Å; V945-Q949 HydrophobicContact CG1-CG 4.43Å; V945-Q949 VanDerWaalsContact O-CG 3.3Å; V945-Q949 WeakPolarHBondContact O-CG 3.35Å; V945-Q949 PolarHBondContact O-N 3.23Å |
| 946 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.2 | -34 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D913 N918 M933 T935 R944 Q949 L950 | D913-A946 VanDerWaalsContact OD2-CB 3.29Å; D913-A946 WeakPolarHBondContact OD2-CB 3.42Å; N918-A946 HydrophobicContact CB-CB 3.66Å; N918-A946 PolarHBondContact OD1-N 2.99Å; M933-A946 HydrophobicContact CE-CB 3.54Å; M933-A946 HydrophobicContact SD-CB 4.36Å; T935-A946 HydrophobicContact CG2-CB 4.13Å; R944-A946 VanDerWaalsContact C-N 3.33Å; R944-A946 PolarHBondContact O-N 3.37Å; A946-Q949 PolarHBondContact O-N 2.93Å; A946-L950 VanDerWaalsContact O-CG 3.3Å; A946-L950 WeakPolarHBondContact O-CG 3.33Å; A946-L950 PolarHBondContact O-N 3.25Å |
| 947 | A | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T935 P937 R944 V945 Q949 L950 T951 I959 | T935-A947 HydrophobicContact CG2-CB 4.08Å; P937-A947 HydrophobicContact CB-CB 3.87Å; P937-A947 HydrophobicContact CG-CB 4.16Å; R944-A947 WeakPolarHBondContact O-CB 3.47Å; R944-A947 PolarHBondContact O-N 3.22Å; R944-A947 VanDerWaalsContact O-N 3.09Å; V945-A947 VanDerWaalsContact C-N 3.32Å; V945-A947 PolarHBondContact O-N 2.93Å; A947-Q949 PolarHBondContact O-N 3.48Å; A947-L950 PolarHBondContact O-N 3.02Å; A947-T951 PolarHBondContact O-N 3.45Å; A947-T951 PolarHBondContact O-OG1 3.15Å; A947-T951 VanDerWaalsContact O-OG1 3.09Å; A947-I959 HydrophobicContact CB-CD1 4.27Å; A947-I959 HydrophobicContact CB-CG2 4.03Å |
| 948 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 173.5 | 167.9 | 0 | 0 | 0 | 0 | 112.5 | D670 T673 T692 R944 V945 L950 T951 C952 | D670-S948 PolarHBondContact OD1-OG 3.13Å; D670-S948 PolarHBondContact OD2-OG 2.85Å; T673-S948 WeakPolarHBondContact OG1-CB 3.31Å; T673-S948 PolarHBondContact OG1-OG 3.39Å; T692-S948 VanDerWaalsContact CB-OG 3.23Å; T692-S948 WeakPolarHBondContact CB-OG 3.42Å; T692-S948 PolarHBondContact OG1-OG 3.33Å; R944-S948 PolarHBondContact O-N 3.43Å; R944-S948 VanDerWaalsContact O-N 3.09Å; V945-S948 PolarHBondContact O-N 3.37Å; S948-L950 VanDerWaalsContact C-N 3.34Å; S948-L950 PolarHBondContact O-N 3.4Å; S948-T951 PolarHBondContact O-N 3.22Å; S948-C952 WeakPolarHBondContact O-CB 3.38Å; S948-C952 PolarHBondContact O-N 2.93Å |
| 949 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 174.2 | -69.9 | 168.4 | -4 | 0 | 0 | 112 | F694 H920 M924 L927 V945 A946 A947 C952 L953 L996 | F694-Q949 HydrophobicContact CB-CG 4.3Å; H920-Q949 PolarHBondContact O-NE2 3.34Å; M924-Q949 HydrophobicContact SD-CG 3.88Å; L927-Q949 HydrophobicContact CD1-CB 3.96Å; V945-Q949 HydrophobicContact CG1-CG 4.43Å; V945-Q949 VanDerWaalsContact O-CG 3.3Å; V945-Q949 WeakPolarHBondContact O-CG 3.35Å; V945-Q949 PolarHBondContact O-N 3.23Å; A946-Q949 PolarHBondContact O-N 2.93Å; A947-Q949 PolarHBondContact O-N 3.48Å; Q949-C952 PolarHBondContact O-N 3.32Å; Q949-L953 WeakPolarHBondContact O-CB 3.38Å; Q949-L953 PolarHBondContact O-N 3Å; Q949-L996 HydrophobicContact CB-CD1 4.36Å; Q949-L996 HydrophobicContact CG-CD1 4.44Å |
| 950 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.6 | -33.8 | 179.3 | -70.9 | 170.1 | 0 | 0 | 0 | 113 | L927 M933 T935 A946 A947 S948 L953 G954 C955 L958 I959 | L927-L950 HydrophobicContact CD2-CD2 3.97Å; M933-L950 HydrophobicContact CE-CG 4.46Å; M933-L950 WeakPolarHBondContact O-CD1 3.46Å; T935-L950 HydrophobicContact CG2-CD1 3.54Å; A946-L950 VanDerWaalsContact O-CG 3.3Å; A946-L950 WeakPolarHBondContact O-CG 3.33Å; A946-L950 PolarHBondContact O-N 3.25Å; A947-L950 PolarHBondContact O-N 3.02Å; S948-L950 VanDerWaalsContact C-N 3.34Å; S948-L950 PolarHBondContact O-N 3.4Å; L950-L953 HydrophobicContact CD2-CD2 4.34Å; L950-L953 PolarHBondContact O-N 3.16Å; L950-G954 PolarHBondContact O-N 3.19Å; L950-C955 HydrophobicContact CD2-CB 4.3Å; L950-C955 PolarHBondContact O-N 2.91Å; L950-L958 HydrophobicContact CD1-CB 3.92Å; L950-L958 HydrophobicContact CD2-CB 4.29Å; L950-L958 HydrophobicContact CD2-CD1 3.95Å; L950-I959 HydrophobicContact CB-CD1 4.01Å; L950-I959 HydrophobicContact CB-CG1 3.97Å; L950-I959 HydrophobicContact CD1-CG1 4.05Å |
| 951 | T | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 25 Ų | 25 | 22% | 0.221 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 171.8 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | E672 A947 S948 L953 G954 L956 I959 | E672-T951 HydrophobicContact CG-CG2 3.81Å; A947-T951 PolarHBondContact O-N 3.45Å; A947-T951 PolarHBondContact O-OG1 3.15Å; A947-T951 VanDerWaalsContact O-OG1 3.09Å; S948-T951 PolarHBondContact O-N 3.22Å; T951-L953 VanDerWaalsContact C-N 3.27Å; T951-L953 PolarHBondContact O-N 3.47Å; T951-G954 PolarHBondContact O-N 3.29Å; T951-L956 HydrophobicContact CG2-CD2 4.06Å; T951-I959 WeakPolarHBondContact OG1-CD1 3.46Å |
| 952 | C | 98.4 | Very high | 98.4 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 8% | 0.081 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | 174 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | H691 T692 S948 Q949 G954 L996 | H691-C952 HydrophobicContact CB-CB 4.28Å; T692-C952 HydrophobicContact CG2-CB 3.61Å; T692-C952 VanDerWaalsContact CG2-SG 3.51Å; S948-C952 WeakPolarHBondContact O-CB 3.38Å; S948-C952 PolarHBondContact O-N 2.93Å; Q949-C952 PolarHBondContact O-N 3.32Å; C952-G954 VanDerWaalsContact C-N 3.32Å; C952-L996 HydrophobicContact CB-CD1 4.17Å |
| 953 | L | 98.2 | Very high | 98.4 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.5 | -32.5 | 174.3 | -169.4 | 65.5 | 0 | 0 | 0 | 112.5 | L927 Q949 L950 T951 C955 V987 Q990 R991 L996 | L927-L953 HydrophobicContact CD1-CD2 4.49Å; L927-L953 HydrophobicContact CD2-CD2 3.9Å; Q949-L953 WeakPolarHBondContact O-CB 3.38Å; Q949-L953 PolarHBondContact O-N 3Å; L950-L953 HydrophobicContact CD2-CD2 4.34Å; L950-L953 PolarHBondContact O-N 3.16Å; T951-L953 VanDerWaalsContact C-N 3.27Å; T951-L953 PolarHBondContact O-N 3.47Å; L953-C955 HydrophobicContact CD2-CB 4.37Å; L953-V987 HydrophobicContact CD2-CB 4.49Å; L953-V987 HydrophobicContact CD2-CG1 4.07Å; L953-V987 HydrophobicContact CD2-CG2 4.23Å; L953-Q990 HydrophobicContact CD1-CB 3.7Å; L953-Q990 HydrophobicContact CG-CB 4.01Å; L953-Q990 WeakPolarHBondContact O-CB 3.35Å; L953-Q990 VanDerWaalsContact O-CD 3.23Å; L953-Q990 PolarHBondContact O-OE1 2.94Å; L953-R991 HydrophobicContact CD1-CB 4.38Å; L953-L996 HydrophobicContact CB-CD2 4.23Å; L953-L996 HydrophobicContact CD1-CD2 4.09Å |
| 954 | G | 97.3 | Very high | 98.5 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 32% | 0.32 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 24.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L950 T951 C952 K986 | L950-G954 PolarHBondContact O-N 3.19Å; T951-G954 PolarHBondContact O-N 3.29Å; C952-G954 VanDerWaalsContact C-N 3.32Å; G954-K986 WeakPolarHBondContact O-CE 3.3Å; G954-K986 PolarHBondContact O-NZ 3.25Å |
| 955 | C | 97.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -112.7 | 58.6 | -179.9 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | L950 L953 E957 L958 Q990 | L950-C955 HydrophobicContact CD2-CB 4.3Å; L950-C955 PolarHBondContact O-N 2.91Å; L953-C955 HydrophobicContact CD2-CB 4.37Å; C955-E957 VanDerWaalsContact C-OE2 3.25Å; C955-E957 WeakPolarHBondContact CA-OE2 3.34Å; C955-E957 PolarHBondContact O-N 3.17Å; C955-L958 HydrophobicContact CB-CD1 3.82Å; C955-L958 HydrophobicContact CB-CG 4.21Å; C955-L958 WeakPolarHBondContact O-CB 3.34Å; C955-L958 PolarHBondContact O-N 3.27Å; C955-L958 VanDerWaalsContact O-N 3.12Å; C955-Q990 PolarHBondContact SG-OE1 3.5Å | ||
| 956 | L | 98.2 | Very high | 98.5 | Very high | 106 Ų | 106 | 39.8 Ų | 39.8 | 56% | 0.555 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -61.1 | -26.6 | -178 | -57 | -179.8 | 0 | 0 | 0 | 113.2 | T951 L958 I959 | T951-L956 HydrophobicContact CG2-CD2 4.06Å; L956-L958 PolarHBondContact O-N 3.22Å; L956-L958 VanDerWaalsContact O-N 3.11Å; L956-I959 HydrophobicContact CD2-CD1 4.13Å; L956-I959 PolarHBondContact O-N 3.08Å; L956-I959 VanDerWaalsContact O-N 3.12Å |
| 957 | E | 98 | Very high | 98.5 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -66.5 | -7.3 | 177 | 64.8 | -94.1 | -133.9 | 0 | 0 | 114.4 | C955 I983 K986 | C955-E957 VanDerWaalsContact C-OE2 3.25Å; C955-E957 WeakPolarHBondContact CA-OE2 3.34Å; C955-E957 PolarHBondContact O-N 3.17Å; E957-I983 HydrophobicContact CG-CD1 3.83Å; E957-I983 WeakPolarHBondContact OE1-CD1 3.39Å; E957-K986 VanDerWaalsContact CD-NZ 3.31Å; E957-K986 WeakPolarHBondContact OE1-CD 3.48Å; E957-K986 IonicContact OE1-NZ 2.8Å; E957-K986 PolarHBondContact OE1-NZ 3.39Å; E957-K986 IonicContact OE2-NZ 2.63Å; E957-K986 PolarHBondContact OE2-NZ 3.01Å |
| 958 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -98 | 0.6 | 176.3 | -65.8 | -179.2 | 0 | 0 | 0 | 113.4 | P932 M933 V934 T935 L950 C955 L956 I969 L973 I983 V987 | P932-L958 HydrophobicContact CB-CD1 3.96Å; P932-L958 HydrophobicContact CB-CD2 4.35Å; M933-L958 WeakPolarHBondContact O-CB 3.38Å; V934-L958 HydrophobicContact CG2-CD2 4.48Å; T935-L958 PolarHBondContact N-O 3.2Å; T935-L958 VanDerWaalsContact N-O 3.12Å; L950-L958 HydrophobicContact CD1-CB 3.92Å; L950-L958 HydrophobicContact CD2-CB 4.29Å; L950-L958 HydrophobicContact CD2-CD1 3.95Å; C955-L958 HydrophobicContact CB-CD1 3.82Å; C955-L958 HydrophobicContact CB-CG 4.21Å; C955-L958 WeakPolarHBondContact O-CB 3.34Å; C955-L958 PolarHBondContact O-N 3.27Å; C955-L958 VanDerWaalsContact O-N 3.12Å; L956-L958 PolarHBondContact O-N 3.22Å; L956-L958 VanDerWaalsContact O-N 3.11Å; L958-I969 HydrophobicContact CD2-CG2 4.44Å; L958-L973 HydrophobicContact CD2-CD1 3.76Å; L958-I983 HydrophobicContact CD1-CG2 4.2Å; L958-I983 HydrophobicContact CD2-CG2 4.06Å; L958-I983 HydrophobicContact CG-CG2 4.44Å; L958-V987 HydrophobicContact CD1-CG2 4.28Å |
| 959 | I | 98.8 | Very high | 98.5 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -104.8 | 106 | -178 | -52.2 | 175.7 | 0 | 0 | 0 | 108.8 | T935 P937 A947 L950 T951 L956 | T935-I959 HydrophobicContact CG2-CG1 4.37Å; T935-I959 HydrophobicContact CG2-CG2 4.49Å; P937-I959 HydrophobicContact CG-CG2 4.01Å; A947-I959 HydrophobicContact CB-CD1 4.27Å; A947-I959 HydrophobicContact CB-CG2 4.03Å; L950-I959 HydrophobicContact CB-CD1 4.01Å; L950-I959 HydrophobicContact CB-CG1 3.97Å; L950-I959 HydrophobicContact CD1-CG1 4.05Å; T951-I959 WeakPolarHBondContact OG1-CD1 3.46Å; L956-I959 HydrophobicContact CD2-CD1 4.13Å; L956-I959 PolarHBondContact O-N 3.08Å; L956-I959 VanDerWaalsContact O-N 3.12Å |
| 960 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -81 | 144 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T935 M936 P937 E965 Y966 I969 | T935-A960 WeakPolarHBondContact O-CB 3.46Å; T935-A960 PolarHBondContact O-N 3.34Å; M936-A960 WeakPolarHBondContact CA-O 3.36Å; M936-A960 HydrophobicContact CB-CB 4.3Å; M936-A960 WeakPolarHBondContact CG-O 3.09Å; P937-A960 VanDerWaalsContact CD-O 3.27Å; P937-A960 WeakPolarHBondContact CD-O 3.38Å; A960-E965 HydrophobicContact CB-CB 4.17Å; A960-E965 HydrophobicContact CB-CG 4.19Å; A960-Y966 VanDerWaalsContact CB-CA 3.42Å; A960-Y966 HydrophobicContact CB-CD2 4.47Å; A960-Y966 VanDerWaalsContact CB-N 3.3Å; A960-I969 HydrophobicContact CB-CD1 4.04Å | ||
| 961 | K | 98.2 | Very high | 98.5 | Very high | 184 Ų | 184 | 45.2 Ų | 45.2 | 80% | 0.8 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -93.7 | -12.6 | 175.5 | -55.9 | 173.3 | -177.1 | 172.3 | 0 | 112.9 | E965 | K961-E965 WeakPolarHBondContact CA-OE2 3.42Å; K961-E965 WeakPolarHBondContact CB-OE2 3.38Å; K961-E965 WeakPolarHBondContact CG-OE2 3.43Å; K961-E965 PolarHBondContact N-OE2 3.16Å |
| 962 | S | 98.3 | Very high | 98.5 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -148.8 | 163.2 | -179.6 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | Q964 E965 Y966 | S962-Q964 VanDerWaalsContact C-N 3.25Å; S962-Q964 PolarHBondContact O-N 3.05Å; S962-E965 PolarHBondContact O-N 3.36Å; S962-E965 WeakPolarHBondContact OG-CB 3.5Å; S962-E965 PolarHBondContact OG-N 3.5Å; S962-Y966 PolarHBondContact O-N 3.41Å |
| 963 | R | 98.4 | Very high | 98.5 | Very high | 145 Ų | 145 | 47.6 Ų | 47.6 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 177.1 | -65.2 | -178.9 | -168.2 | 175.4 | 0.7 | 111.5 | M850 M936 Y966 E967 | M850-R963 HydrophobicContact SD-CB 3.97Å; M850-R963 HydrophobicContact SD-CG 4.21Å; M936-R963 HydrophobicContact CE-CG 3.85Å; M936-R963 HydrophobicContact SD-CB 4.45Å; M936-R963 HydrophobicContact SD-CG 3.88Å; M936-R963 PolarHBondContact SD-N 3.38Å; R963-Y966 WeakPolarHBondContact O-CB 3.28Å; R963-Y966 PolarHBondContact O-N 3.48Å; R963-E967 WeakPolarHBondContact O-CG 3.48Å; R963-E967 PolarHBondContact O-N 3.48Å |
| 964 | Q | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 47.6 Ų | 47.6 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -46 | 177.7 | -171.9 | 59 | 57 | 0 | 0 | 111.4 | S962 Y966 E967 D968 | S962-Q964 VanDerWaalsContact C-N 3.25Å; S962-Q964 PolarHBondContact O-N 3.05Å; Q964-Y966 VanDerWaalsContact C-N 3.29Å; Q964-Y966 PolarHBondContact O-N 3.21Å; Q964-E967 PolarHBondContact O-N 3.26Å; Q964-D968 PolarHBondContact NE2-OD1 3.21Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 PolarHBondContact O-N 3.02Å |
| 965 | E | 98.8 | Very high | 98.5 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 177.1 | -172.6 | 175.1 | -157 | 0 | 0 | 111.8 | A960 K961 S962 D968 I969 | A960-E965 HydrophobicContact CB-CB 4.17Å; A960-E965 HydrophobicContact CB-CG 4.19Å; K961-E965 WeakPolarHBondContact CA-OE2 3.42Å; K961-E965 WeakPolarHBondContact CB-OE2 3.38Å; K961-E965 WeakPolarHBondContact CG-OE2 3.43Å; K961-E965 PolarHBondContact N-OE2 3.16Å; S962-E965 PolarHBondContact O-N 3.36Å; S962-E965 WeakPolarHBondContact OG-CB 3.5Å; S962-E965 PolarHBondContact OG-N 3.5Å; E965-D968 PolarHBondContact O-N 3.36Å; E965-I969 HydrophobicContact CG-CD1 3.93Å; E965-I969 HydrophobicContact CG-CG1 4.33Å; E965-I969 WeakPolarHBondContact O-CB 3.49Å; E965-I969 VanDerWaalsContact O-CG1 3.27Å; E965-I969 WeakPolarHBondContact O-CG1 3.36Å; E965-I969 PolarHBondContact O-N 2.95Å |
| 966 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -49.6 | 173 | -179.4 | -72.1 | 0 | 0 | 0 | 110.5 | M850 W851 I854 L912 D913 V934 M936 A960 S962 R963 Q964 D968 A970 | M850-Y966 HydrophobicContact CE-CD1 3.42Å; M850-Y966 VanDerWaalsContact CE-CD1 3.42Å; M850-Y966 HydrophobicContact CE-CD2 4.09Å; M850-Y966 HydrophobicContact CE-CE1 3.42Å; M850-Y966 VanDerWaalsContact CE-CE1 3.42Å; M850-Y966 HydrophobicContact CE-CE2 4.04Å; M850-Y966 HydrophobicContact CE-CG 3.79Å; M850-Y966 HydrophobicContact CG-CD1 3.97Å; M850-Y966 HydrophobicContact CG-CE1 4.43Å; M850-Y966 HydrophobicContact SD-CD1 3.42Å; M850-Y966 WeakPolarHBondContact SD-CD1 3.48Å; M850-Y966 HydrophobicContact SD-CD2 4.46Å; M850-Y966 HydrophobicContact SD-CE1 4.06Å; M850-Y966 HydrophobicContact SD-CG 3.68Å; W851-Y966 PolarHBondContact NE1-OH 3.44Å; I854-Y966 HydrophobicContact CD1-CD1 3.96Å; I854-Y966 HydrophobicContact CD1-CE1 3.74Å; L912-Y966 VanDerWaalsContact CA-OH 3.27Å; L912-Y966 WeakPolarHBondContact CA-OH 3.32Å; L912-Y966 VanDerWaalsContact CB-OH 3.3Å; L912-Y966 WeakPolarHBondContact CB-OH 3.41Å; L912-Y966 HydrophobicContact CD2-CE1 4.16Å; D913-Y966 PolarHBondContact N-OH 2.91Å; D913-Y966 PolarHBondContact O-OH 2.95Å; V934-Y966 HydrophobicContact CB-CE2 4.33Å; V934-Y966 HydrophobicContact CG1-CD1 4.38Å; V934-Y966 HydrophobicContact CG1-CD2 3.74Å; V934-Y966 HydrophobicContact CG1-CE1 4.47Å; V934-Y966 HydrophobicContact CG1-CE2 3.9Å; V934-Y966 HydrophobicContact CG1-CG 4.02Å; V934-Y966 WeakPolarHBondContact O-CE2 3.43Å; M936-Y966 HydrophobicContact CB-CD2 3.97Å; A960-Y966 VanDerWaalsContact CB-CA 3.42Å; A960-Y966 HydrophobicContact CB-CD2 4.47Å; A960-Y966 VanDerWaalsContact CB-N 3.3Å; S962-Y966 PolarHBondContact O-N 3.41Å; R963-Y966 WeakPolarHBondContact O-CB 3.28Å; R963-Y966 PolarHBondContact O-N 3.48Å; Q964-Y966 VanDerWaalsContact C-N 3.29Å; Q964-Y966 PolarHBondContact O-N 3.21Å; Y966-D968 VanDerWaalsContact C-N 3.31Å; Y966-D968 PolarHBondContact O-N 2.9Å; Y966-A970 WeakPolarHBondContact O-CB 3.45Å; Y966-A970 PolarHBondContact O-N 3.34Å |
| 967 | E | 98.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 176.5 | -63 | -178.4 | -171.9 | 0 | 0 | 111.6 | M850 N853 I854 R857 R963 Q964 A970 V971 | M850-E967 HydrophobicContact CG-CG 3.41Å; M850-E967 VanDerWaalsContact CG-CG 3.41Å; M850-E967 HydrophobicContact SD-CG 4.48Å; N853-E967 WeakPolarHBondContact CB-OE1 3.45Å; N853-E967 WeakPolarHBondContact CB-OE2 3.3Å; N853-E967 PolarHBondContact ND2-OE1 2.93Å; I854-E967 HydrophobicContact CD1-CG 4.38Å; I854-E967 HydrophobicContact CG1-CB 3.94Å; I854-E967 HydrophobicContact CG1-CG 4.01Å; R857-E967 VanDerWaalsContact NH1-CB 3.34Å; R857-E967 IonicContact NH1-OE2 2.88Å; R857-E967 PolarHBondContact NH1-OE2 3.41Å; R963-E967 WeakPolarHBondContact O-CG 3.48Å; R963-E967 PolarHBondContact O-N 3.48Å; Q964-E967 PolarHBondContact O-N 3.26Å; E967-A970 PolarHBondContact O-N 3.21Å; E967-V971 VanDerWaalsContact O-CB 3.29Å; E967-V971 WeakPolarHBondContact O-CB 3.42Å; E967-V971 WeakPolarHBondContact O-CG2 3.03Å; E967-V971 PolarHBondContact O-N 2.77Å |
| 968 | D | 98.9 | Very high | 98 | Very high | 65 Ų | 65 | 55 Ų | 55 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | -177.2 | -64.4 | -18.1 | 0 | 0 | 0 | 112.1 | R857 Q964 E965 Y966 K972 | R857-D968 IonicContact CZ-OD1 2.94Å; R857-D968 VanDerWaalsContact CZ-OD1 3.28Å; R857-D968 IonicContact NH1-OD1 3.1Å; R857-D968 PolarHBondContact NH1-OD1 3.45Å; R857-D968 IonicContact NH2-OD1 3.4Å; R857-D968 PolarHBondContact NH2-OD1 3.2Å; Q964-D968 PolarHBondContact NE2-OD1 3.21Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 PolarHBondContact O-N 3.02Å; E965-D968 PolarHBondContact O-N 3.36Å; Y966-D968 VanDerWaalsContact C-N 3.31Å; Y966-D968 PolarHBondContact O-N 2.9Å; D968-K972 VanDerWaalsContact O-CB 3.25Å; D968-K972 WeakPolarHBondContact O-CB 3.42Å; D968-K972 PolarHBondContact O-N 2.88Å |
| 969 | I | 98.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 173.6 | -68.3 | 168.2 | 0 | 0 | 0 | 109.8 | V934 L958 A960 E965 V971 K972 L973 | V934-I969 HydrophobicContact CG1-CB 4.21Å; V934-I969 HydrophobicContact CG1-CG2 3.95Å; V934-I969 HydrophobicContact CG2-CG2 3.8Å; L958-I969 HydrophobicContact CD2-CG2 4.44Å; A960-I969 HydrophobicContact CB-CD1 4.04Å; E965-I969 HydrophobicContact CG-CD1 3.93Å; E965-I969 HydrophobicContact CG-CG1 4.33Å; E965-I969 WeakPolarHBondContact O-CB 3.49Å; E965-I969 VanDerWaalsContact O-CG1 3.27Å; E965-I969 WeakPolarHBondContact O-CG1 3.36Å; E965-I969 PolarHBondContact O-N 2.95Å; I969-V971 PolarHBondContact O-N 3.27Å; I969-K972 PolarHBondContact O-N 3.18Å; I969-L973 HydrophobicContact CG2-CD1 3.98Å; I969-L973 WeakPolarHBondContact O-CG 3.41Å; I969-L973 PolarHBondContact O-N 2.96Å |
| 970 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y834 I854 L912 V934 Y966 E967 K972 L973 G974 | Y834-A970 HydrophobicContact CE1-CB 4.27Å; Y834-A970 PolarHBondContact OH-O 3.02Å; I854-A970 HydrophobicContact CD1-CB 3.52Å; I854-A970 HydrophobicContact CG1-CB 3.92Å; I854-A970 HydrophobicContact CG2-CB 4.02Å; L912-A970 HydrophobicContact CD2-CB 3.84Å; V934-A970 HydrophobicContact CG2-CB 4.47Å; Y966-A970 WeakPolarHBondContact O-CB 3.45Å; Y966-A970 PolarHBondContact O-N 3.34Å; E967-A970 PolarHBondContact O-N 3.21Å; A970-K972 PolarHBondContact O-N 3.45Å; A970-L973 PolarHBondContact O-N 3.45Å; A970-G974 PolarHBondContact O-N 3.12Å |
| 971 | V | 98.9 | Very high | 97.5 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 179.1 | 169 | 0 | 0 | 0 | 0 | 111 | I854 R857 V858 E967 I969 L973 G974 T975 | I854-V971 HydrophobicContact CB-CG2 4.28Å; I854-V971 HydrophobicContact CG1-CG2 4.28Å; I854-V971 HydrophobicContact CG2-CG2 4.08Å; R857-V971 HydrophobicContact CB-CG1 4.06Å; R857-V971 HydrophobicContact CB-CG2 3.67Å; R857-V971 HydrophobicContact CG-CG2 4.5Å; V858-V971 HydrophobicContact CG2-CB 4.18Å; V858-V971 HydrophobicContact CG2-CG1 4.08Å; V858-V971 HydrophobicContact CG2-CG2 3.97Å; E967-V971 VanDerWaalsContact O-CB 3.29Å; E967-V971 WeakPolarHBondContact O-CB 3.42Å; E967-V971 WeakPolarHBondContact O-CG2 3.03Å; E967-V971 PolarHBondContact O-N 2.77Å; I969-V971 PolarHBondContact O-N 3.27Å; V971-L973 VanDerWaalsContact C-N 3.35Å; V971-L973 PolarHBondContact O-N 2.66Å; V971-G974 CarbonylContact O-C 3.46Å; V971-G974 PolarHBondContact O-N 3.26Å; V971-T975 HydrophobicContact CG1-CG2 4.26Å; V971-T975 WeakPolarHBondContact O-CB 3.25Å; V971-T975 WeakPolarHBondContact O-CG2 3.5Å; V971-T975 PolarHBondContact O-N 2.84Å; V971-T975 PolarHBondContact O-OG1 3.44Å |
| 972 | K | 98.7 | Very high | 97.3 | Very high | 98 Ų | 98 | 55.6 Ų | 55.6 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 175.5 | -175.8 | 179.2 | 180 | -179.4 | 0 | 111 | D968 I969 A970 G974 T975 D976 Y979 | D968-K972 VanDerWaalsContact O-CB 3.25Å; D968-K972 WeakPolarHBondContact O-CB 3.42Å; D968-K972 PolarHBondContact O-N 2.88Å; I969-K972 PolarHBondContact O-N 3.18Å; A970-K972 PolarHBondContact O-N 3.45Å; K972-G974 PolarHBondContact O-N 3.27Å; K972-T975 PolarHBondContact O-N 2.98Å; K972-D976 WeakPolarHBondContact O-CB 3.4Å; K972-D976 PolarHBondContact O-N 3.36Å; K972-Y979 HydrophobicContact CD-CD1 4.06Å; K972-Y979 HydrophobicContact CD-CE1 3.94Å; K972-Y979 HydrophobicContact CG-CD1 3.9Å; K972-Y979 HydrophobicContact CG-CE1 4.16Å |
| 973 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -28.6 | 175.3 | -70.8 | 165.2 | 0 | 0 | 0 | 112.7 | V910 V934 L958 I969 A970 V971 Y979 L980 I983 | V910-L973 HydrophobicContact CG1-CD1 4.13Å; V910-L973 HydrophobicContact CG2-CB 3.76Å; V910-L973 HydrophobicContact CG2-CD1 4.23Å; V934-L973 HydrophobicContact CG2-CD1 3.61Å; L958-L973 HydrophobicContact CD2-CD1 3.76Å; I969-L973 HydrophobicContact CG2-CD1 3.98Å; I969-L973 WeakPolarHBondContact O-CG 3.41Å; I969-L973 PolarHBondContact O-N 2.96Å; A970-L973 PolarHBondContact O-N 3.45Å; V971-L973 VanDerWaalsContact C-N 3.35Å; V971-L973 PolarHBondContact O-N 2.66Å; L973-Y979 HydrophobicContact CD2-CD1 3.79Å; L973-Y979 HydrophobicContact CD2-CE1 3.65Å; L973-Y979 HydrophobicContact CG-CD1 4.38Å; L973-Y979 HydrophobicContact CG-CE1 4.13Å; L973-L980 HydrophobicContact CB-CD1 4.36Å; L973-L980 HydrophobicContact CD2-CD1 4.24Å; L973-L980 WeakPolarHBondContact O-CB 3.45Å; L973-I983 HydrophobicContact CD2-CB 4.05Å; L973-I983 HydrophobicContact CD2-CG1 4.07Å; L973-I983 HydrophobicContact CD2-CG2 4.13Å |
| 974 | G | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -87 | -6.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I832 Y834 V858 A970 V971 K972 | I832-G974 WeakPolarHBondContact CG1-O 3.31Å; Y834-G974 VanDerWaalsContact OH-CA 3.27Å; Y834-G974 WeakPolarHBondContact OH-CA 3.45Å; Y834-G974 PolarHBondContact OH-N 2.96Å; V858-G974 VanDerWaalsContact CG1-O 3.23Å; V858-G974 WeakPolarHBondContact CG1-O 3.4Å; A970-G974 PolarHBondContact O-N 3.12Å; V971-G974 CarbonylContact O-C 3.46Å; V971-G974 PolarHBondContact O-N 3.26Å; K972-G974 PolarHBondContact O-N 3.27Å |
| 975 | T | 98.1 | Very high | 96.8 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 47% | 0.466 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -123 | -37.9 | -174.8 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | V858 V971 K972 L977 | V858-T975 HydrophobicContact CB-CG2 4.49Å; V858-T975 HydrophobicContact CG1-CG2 4.2Å; V858-T975 HydrophobicContact CG2-CG2 4.04Å; V971-T975 HydrophobicContact CG1-CG2 4.26Å; V971-T975 WeakPolarHBondContact O-CB 3.25Å; V971-T975 WeakPolarHBondContact O-CG2 3.5Å; V971-T975 PolarHBondContact O-N 2.84Å; V971-T975 PolarHBondContact O-OG1 3.44Å; K972-T975 PolarHBondContact O-N 2.98Å; T975-L977 PolarHBondContact O-N 3.13Å |
| 976 | D | 97.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 39 Ų | 39 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | trans | -90.3 | 90.8 | 174.1 | -174.6 | -15.5 | 0 | 0 | 0 | 110 | K972 E978 Y979 L980 | K972-D976 WeakPolarHBondContact O-CB 3.4Å; K972-D976 PolarHBondContact O-N 3.36Å; D976-E978 VanDerWaalsContact C-N 3.28Å; D976-E978 PolarHBondContact O-N 3.5Å; D976-E978 PolarHBondContact OD1-N 2.96Å; D976-Y979 PolarHBondContact O-N 3.47Å; D976-Y979 PolarHBondContact OD1-N 3.46Å; D976-Y979 WeakPolarHBondContact OD2-CB 3.13Å; D976-L980 PolarHBondContact O-N 2.85Å | ||
| 977 | L | 93.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 39 Ų | 39 | 48% | 0.476 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.9 | -29.6 | -175.6 | -59.8 | -176.1 | 0 | 0 | 0 | 113.3 | I832 T975 L980 K981 | I832-L977 HydrophobicContact CD1-CD2 3.94Å; T975-L977 PolarHBondContact O-N 3.13Å; L977-L980 HydrophobicContact CD2-CD2 4.49Å; L977-K981 VanDerWaalsContact O-CB 3.28Å; L977-K981 WeakPolarHBondContact O-CB 3.35Å; L977-K981 PolarHBondContact O-N 3.49Å |
| 978 | E | 92.6 | Very high | 96.4 | Very high | 116 Ų | 116 | 39.5 Ų | 39.5 | 54% | 0.542 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73.4 | -40.9 | 175.4 | -76.6 | -62.2 | 124.9 | 0 | 0 | 110.6 | D976 K981 K982 | D976-E978 VanDerWaalsContact C-N 3.28Å; D976-E978 PolarHBondContact O-N 3.5Å; D976-E978 PolarHBondContact OD1-N 2.96Å; E978-K981 PolarHBondContact O-N 3.23Å; E978-K982 VanDerWaalsContact O-CB 3.29Å; E978-K982 WeakPolarHBondContact O-CB 3.11Å; E978-K982 PolarHBondContact O-N 2.96Å |
| 979 | Y | 95.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 17% | 0.169 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 171.3 | -176.4 | -110.3 | 0 | 0 | 0 | 111.8 | K972 L973 D976 K981 K982 I983 | K972-Y979 HydrophobicContact CD-CD1 4.06Å; K972-Y979 HydrophobicContact CD-CE1 3.94Å; K972-Y979 HydrophobicContact CG-CD1 3.9Å; K972-Y979 HydrophobicContact CG-CE1 4.16Å; L973-Y979 HydrophobicContact CD2-CD1 3.79Å; L973-Y979 HydrophobicContact CD2-CE1 3.65Å; L973-Y979 HydrophobicContact CG-CD1 4.38Å; L973-Y979 HydrophobicContact CG-CE1 4.13Å; D976-Y979 PolarHBondContact O-N 3.47Å; D976-Y979 PolarHBondContact OD1-N 3.46Å; D976-Y979 WeakPolarHBondContact OD2-CB 3.13Å; Y979-K981 PolarHBondContact O-N 3.44Å; Y979-K982 WeakPolarHBondContact O-CB 3.24Å; Y979-K982 PolarHBondContact O-N 3.09Å; Y979-I983 HydrophobicContact CD1-CG1 4.24Å; Y979-I983 HydrophobicContact CD2-CG1 4.22Å; Y979-I983 HydrophobicContact CE1-CG1 3.86Å; Y979-I983 HydrophobicContact CE2-CD1 3.91Å; Y979-I983 HydrophobicContact CE2-CG1 3.84Å; Y979-I983 HydrophobicContact CG-CG1 4.41Å; Y979-I983 WeakPolarHBondContact O-CG1 3.3Å; Y979-I983 PolarHBondContact O-N 3.38Å |
| 980 | L | 96.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.5 | -51.5 | 174.7 | 177.4 | 61.4 | 0 | 0 | 0 | 111.4 | I832 D909 V910 L973 D976 L977 K982 I983 R984 | I832-L980 HydrophobicContact CD1-CD2 3.73Å; D909-L980 HydrophobicContact CB-CD2 4.07Å; V910-L980 HydrophobicContact CG2-CD1 3.7Å; L973-L980 HydrophobicContact CB-CD1 4.36Å; L973-L980 HydrophobicContact CD2-CD1 4.24Å; L973-L980 WeakPolarHBondContact O-CB 3.45Å; D976-L980 PolarHBondContact O-N 2.85Å; L977-L980 HydrophobicContact CD2-CD2 4.49Å; L980-K982 VanDerWaalsContact C-N 3.29Å; L980-K982 PolarHBondContact O-N 3.08Å; L980-I983 PolarHBondContact O-N 3.46Å; L980-R984 HydrophobicContact CD1-CG 3.99Å; L980-R984 HydrophobicContact CG-CG 4.34Å; L980-R984 WeakPolarHBondContact O-CB 3.49Å; L980-R984 VanDerWaalsContact O-CG 3.27Å; L980-R984 WeakPolarHBondContact O-CG 3.37Å; L980-R984 PolarHBondContact O-N 3.37Å |
| 981 | K | 92.9 | Very high | 96 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 179.6 | -175.7 | 177.4 | -178.2 | 177 | 0 | 111.9 | L977 E978 Y979 G985 | L977-K981 VanDerWaalsContact O-CB 3.28Å; L977-K981 WeakPolarHBondContact O-CB 3.35Å; L977-K981 PolarHBondContact O-N 3.49Å; E978-K981 PolarHBondContact O-N 3.23Å; Y979-K981 PolarHBondContact O-N 3.44Å; K981-G985 PolarHBondContact O-N 3.06Å |
| 982 | K | 93.3 | Very high | 95.8 | Very high | 88 Ų | 88 | 44 Ų | 44 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 176.6 | -178.7 | -175.8 | 179.4 | -178 | 0 | 111.8 | P749 E978 Y979 L980 G985 K986 | P749-K982 HydrophobicContact CB-CD 4.39Å; P749-K982 HydrophobicContact CB-CG 4.39Å; P749-K982 HydrophobicContact CG-CD 4.24Å; P749-K982 VanDerWaalsContact CG-CE 3.42Å; P749-K982 HydrophobicContact CG-CG 3.77Å; E978-K982 VanDerWaalsContact O-CB 3.29Å; E978-K982 WeakPolarHBondContact O-CB 3.11Å; E978-K982 PolarHBondContact O-N 2.96Å; Y979-K982 WeakPolarHBondContact O-CB 3.24Å; Y979-K982 PolarHBondContact O-N 3.09Å; L980-K982 VanDerWaalsContact C-N 3.29Å; L980-K982 PolarHBondContact O-N 3.08Å; K982-G985 PolarHBondContact O-N 3.04Å; K982-K986 PolarHBondContact O-N 3.43Å |
| 983 | I | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -41 | 179.4 | -64.5 | -62.5 | 0 | 0 | 0 | 111.4 | P932 E957 L958 L973 Y979 L980 G985 K986 V987 | P932-I983 HydrophobicContact CB-CG2 3.83Å; P932-I983 HydrophobicContact CG-CG2 3.72Å; E957-I983 HydrophobicContact CG-CD1 3.83Å; E957-I983 WeakPolarHBondContact OE1-CD1 3.39Å; L958-I983 HydrophobicContact CD1-CG2 4.2Å; L958-I983 HydrophobicContact CD2-CG2 4.06Å; L958-I983 HydrophobicContact CG-CG2 4.44Å; L973-I983 HydrophobicContact CD2-CB 4.05Å; L973-I983 HydrophobicContact CD2-CG1 4.07Å; L973-I983 HydrophobicContact CD2-CG2 4.13Å; Y979-I983 HydrophobicContact CD1-CG1 4.24Å; Y979-I983 HydrophobicContact CD2-CG1 4.22Å; Y979-I983 HydrophobicContact CE1-CG1 3.86Å; Y979-I983 HydrophobicContact CE2-CD1 3.91Å; Y979-I983 HydrophobicContact CE2-CG1 3.84Å; Y979-I983 HydrophobicContact CG-CG1 4.41Å; Y979-I983 WeakPolarHBondContact O-CG1 3.3Å; Y979-I983 PolarHBondContact O-N 3.38Å; L980-I983 PolarHBondContact O-N 3.46Å; I983-G985 VanDerWaalsContact C-N 3.32Å; I983-G985 PolarHBondContact O-N 3.1Å; I983-K986 WeakPolarHBondContact O-CB 3.48Å; I983-K986 PolarHBondContact O-N 2.9Å; I983-K986 VanDerWaalsContact O-N 3.16Å; I983-V987 HydrophobicContact CG2-CG2 4.43Å; I983-V987 WeakPolarHBondContact O-CG2 3.47Å; I983-V987 PolarHBondContact O-N 3.33Å |
| 984 | R | 95.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.1 | -44.2 | 171.9 | -71.6 | 178.1 | 66 | 76 | 0.8 | 111.6 | D721 A908 D909 P932 L980 K986 V987 W988 | D721-R984 IonicContact OD1-CZ 2.84Å; D721-R984 IonicContact OD1-NE 3.16Å; D721-R984 PolarHBondContact OD1-NE 3.1Å; D721-R984 IonicContact OD1-NH2 3.43Å; D721-R984 IonicContact OD2-CZ 3.9Å; D721-R984 VanDerWaalsContact OD2-CZ 3.24Å; D721-R984 IonicContact OD2-NE 2.93Å; D721-R984 PolarHBondContact OD2-NE 3.44Å; D721-R984 IonicContact OD2-NH2 3.64Å; D721-R984 PolarHBondContact OD2-NH2 3.31Å; A908-R984 PolarHBondContact O-NH1 2.68Å; D909-R984 PolarHBondContact O-NH1 3.3Å; P932-R984 HydrophobicContact CG-CB 4.39Å; P932-R984 HydrophobicContact CG-CG 3.63Å; L980-R984 HydrophobicContact CD1-CG 3.99Å; L980-R984 HydrophobicContact CG-CG 4.34Å; L980-R984 WeakPolarHBondContact O-CB 3.49Å; L980-R984 VanDerWaalsContact O-CG 3.27Å; L980-R984 WeakPolarHBondContact O-CG 3.37Å; L980-R984 PolarHBondContact O-N 3.37Å; R984-K986 PolarHBondContact O-N 2.78Å; R984-V987 PolarHBondContact O-N 3.14Å; R984-W988 VanDerWaalsContact O-CB 3.24Å; R984-W988 WeakPolarHBondContact O-CB 3.45Å; R984-W988 PolarHBondContact O-N 3.16Å |
| 985 | G | 93.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K981 K982 I983 W988 K989 | K981-G985 PolarHBondContact O-N 3.06Å; K982-G985 PolarHBondContact O-N 3.04Å; I983-G985 VanDerWaalsContact C-N 3.32Å; I983-G985 PolarHBondContact O-N 3.1Å; G985-W988 PolarHBondContact O-N 2.99Å; G985-K989 WeakPolarHBondContact O-CB 3.34Å; G985-K989 PolarHBondContact O-N 2.76Å |
| 986 | K | 95.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -53.9 | 175.4 | -169 | -172.3 | -177.8 | 175.2 | 0 | 111.2 | P749 G954 E957 K982 I983 R984 W988 K989 Q990 | P749-K986 HydrophobicContact CG-CB 3.98Å; P749-K986 HydrophobicContact CG-CD 3.9Å; P749-K986 HydrophobicContact CG-CG 4.07Å; G954-K986 WeakPolarHBondContact O-CE 3.3Å; G954-K986 PolarHBondContact O-NZ 3.25Å; E957-K986 VanDerWaalsContact CD-NZ 3.31Å; E957-K986 WeakPolarHBondContact OE1-CD 3.48Å; E957-K986 IonicContact OE1-NZ 2.8Å; E957-K986 PolarHBondContact OE1-NZ 3.39Å; E957-K986 IonicContact OE2-NZ 2.63Å; E957-K986 PolarHBondContact OE2-NZ 3.01Å; K982-K986 PolarHBondContact O-N 3.43Å; I983-K986 WeakPolarHBondContact O-CB 3.48Å; I983-K986 PolarHBondContact O-N 2.9Å; I983-K986 VanDerWaalsContact O-N 3.16Å; R984-K986 PolarHBondContact O-N 2.78Å; K986-W988 VanDerWaalsContact C-N 3.35Å; K986-W988 PolarHBondContact O-N 2.91Å; K986-K989 PolarHBondContact O-N 3.13Å; K986-Q990 HydrophobicContact CG-CG 4.32Å; K986-Q990 VanDerWaalsContact O-CB 3.3Å; K986-Q990 WeakPolarHBondContact O-CB 3.47Å; K986-Q990 WeakPolarHBondContact O-CG 3.45Å; K986-Q990 PolarHBondContact O-N 3.2Å |
| 987 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 178.5 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | L927 P932 L953 L958 I983 R984 K989 Q990 R991 | L927-V987 HydrophobicContact CD2-CG1 4.29Å; P932-V987 HydrophobicContact CB-CG2 4.29Å; P932-V987 HydrophobicContact CG-CG2 4.14Å; L953-V987 HydrophobicContact CD2-CB 4.49Å; L953-V987 HydrophobicContact CD2-CG1 4.07Å; L953-V987 HydrophobicContact CD2-CG2 4.23Å; L958-V987 HydrophobicContact CD1-CG2 4.28Å; I983-V987 HydrophobicContact CG2-CG2 4.43Å; I983-V987 WeakPolarHBondContact O-CG2 3.47Å; I983-V987 PolarHBondContact O-N 3.33Å; R984-V987 PolarHBondContact O-N 3.14Å; V987-K989 VanDerWaalsContact C-N 3.32Å; V987-K989 PolarHBondContact O-N 3.27Å; V987-Q990 PolarHBondContact O-N 3.2Å; V987-R991 WeakPolarHBondContact O-CB 3.4Å; V987-R991 PolarHBondContact O-N 2.99Å |
| 988 | W | 96.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 179.3 | -174.6 | -83.7 | 0 | 0 | 0 | 113.2 | L705 K706 K708 L762 A929 R984 G985 K986 R991 | L705-W988 WeakPolarHBondContact O-CH2 3.48Å; K706-W988 WeakPolarHBondContact O-CZ2 3.49Å; K708-W988 HydrophobicContact CB-CH2 3.93Å; K708-W988 HydrophobicContact CB-CZ2 4.28Å; K708-W988 HydrophobicContact CD-CH2 3.64Å; K708-W988 HydrophobicContact CD-CZ2 4.19Å; K708-W988 HydrophobicContact CD-CZ3 3.83Å; K708-W988 HydrophobicContact CG-CH2 3.72Å; K708-W988 HydrophobicContact CG-CZ2 3.89Å; K708-W988 HydrophobicContact CG-CZ3 4.41Å; L762-W988 HydrophobicContact CD2-CG 4.2Å; A929-W988 WeakPolarHBondContact O-CZ3 3.49Å; R984-W988 VanDerWaalsContact O-CB 3.24Å; R984-W988 WeakPolarHBondContact O-CB 3.45Å; R984-W988 PolarHBondContact O-N 3.16Å; G985-W988 PolarHBondContact O-N 2.99Å; K986-W988 VanDerWaalsContact C-N 3.35Å; K986-W988 PolarHBondContact O-N 2.91Å; W988-R991 WeakPolarHBondContact O-CG 3.47Å; W988-R991 PolarHBondContact O-NE 2.95Å |
| 989 | K | 95 | Very high | 96.1 | Very high | 72 Ų | 72 | 32.5 Ų | 32.5 | 31% | 0.313 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -71.7 | -53.1 | 172.8 | -173 | 179.7 | 174.1 | -178.7 | 0 | 110.9 | L762 G985 K986 V987 R991 I992 S993 | L762-K989 HydrophobicContact CD1-CB 3.52Å; L762-K989 HydrophobicContact CD1-CG 4.01Å; G985-K989 WeakPolarHBondContact O-CB 3.34Å; G985-K989 PolarHBondContact O-N 2.76Å; K986-K989 PolarHBondContact O-N 3.13Å; V987-K989 VanDerWaalsContact C-N 3.32Å; V987-K989 PolarHBondContact O-N 3.27Å; K989-R991 VanDerWaalsContact C-N 3.34Å; K989-R991 PolarHBondContact O-N 3.08Å; K989-I992 PolarHBondContact O-N 3.11Å; K989-I992 VanDerWaalsContact O-N 3.16Å; K989-S993 PolarHBondContact O-N 2.82Å; K989-S993 PolarHBondContact O-OG 2.95Å |
| 990 | Q | 95.7 | Very high | 96.2 | Very high | 28 Ų | 28 | 37.5 Ų | 37.5 | 13% | 0.131 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.3 | -29.8 | -170 | -74.5 | -178.5 | -15.4 | 0 | 0 | 112.9 | L953 C955 K986 V987 I992 S993 S994 | L953-Q990 HydrophobicContact CD1-CB 3.7Å; L953-Q990 HydrophobicContact CG-CB 4.01Å; L953-Q990 WeakPolarHBondContact O-CB 3.35Å; L953-Q990 VanDerWaalsContact O-CD 3.23Å; L953-Q990 PolarHBondContact O-OE1 2.94Å; C955-Q990 PolarHBondContact SG-OE1 3.5Å; K986-Q990 HydrophobicContact CG-CG 4.32Å; K986-Q990 VanDerWaalsContact O-CB 3.3Å; K986-Q990 WeakPolarHBondContact O-CB 3.47Å; K986-Q990 WeakPolarHBondContact O-CG 3.45Å; K986-Q990 PolarHBondContact O-N 3.2Å; V987-Q990 PolarHBondContact O-N 3.2Å; Q990-I992 PolarHBondContact O-N 3.19Å; Q990-S993 WeakPolarHBondContact CA-OG 3.48Å; Q990-S993 PolarHBondContact O-N 3.41Å; Q990-S994 WeakPolarHBondContact O-CA 3.41Å; Q990-S994 WeakPolarHBondContact O-CB 3.43Å; Q990-S994 PolarHBondContact O-N 2.95Å; Q990-S994 PolarHBondContact O-OG 3.22Å; Q990-S994 VanDerWaalsContact O-OG 3.07Å |
| 991 | R | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -22.5 | 174.6 | 73.9 | 179.2 | 176.3 | 134.4 | 1.8 | 113.5 | L705 K706 L927 W928 L953 V987 W988 K989 F997 | L705-R991 PolarHBondContact O-NH1 3.44Å; L705-R991 PolarHBondContact O-NH2 2.88Å; K706-R991 PolarHBondContact O-NH2 3.29Å; L927-R991 WeakPolarHBondContact O-CD 3.15Å; W928-R991 WeakPolarHBondContact O-CD 3.37Å; W928-R991 PolarHBondContact O-NH1 3.12Å; L953-R991 HydrophobicContact CD1-CB 4.38Å; V987-R991 WeakPolarHBondContact O-CB 3.4Å; V987-R991 PolarHBondContact O-N 2.99Å; W988-R991 WeakPolarHBondContact O-CG 3.47Å; W988-R991 PolarHBondContact O-NE 2.95Å; K989-R991 VanDerWaalsContact C-N 3.34Å; K989-R991 PolarHBondContact O-N 3.08Å; R991-F997 HydrophobicContact CB-CD2 4.22Å; R991-F997 HydrophobicContact CB-CE2 4.08Å; R991-F997 WeakPolarHBondContact O-CD2 3.19Å |
| 992 | I | 95.5 | Very high | 96.5 | Very high | 94 Ų | 94 | 36.8 Ų | 36.8 | 48% | 0.482 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -99 | -39.7 | 177.4 | -53.4 | -56.7 | 0 | 0 | 0 | 111.5 | K706 W928 K989 Q990 | K706-I992 HydrophobicContact CG-CD1 4.18Å; W928-I992 HydrophobicContact CH2-CD1 3.71Å; W928-I992 HydrophobicContact CZ3-CD1 3.88Å; K989-I992 PolarHBondContact O-N 3.11Å; K989-I992 VanDerWaalsContact O-N 3.16Å; Q990-I992 PolarHBondContact O-N 3.19Å |
| 993 | S | 94.7 | Very high | 96.8 | Very high | 84 Ų | 84 | 32.6 Ų | 32.6 | 59% | 0.587 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -87 | -18.5 | -174.9 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | K989 Q990 | K989-S993 PolarHBondContact O-N 2.82Å; K989-S993 PolarHBondContact O-OG 2.95Å; Q990-S993 WeakPolarHBondContact CA-OG 3.48Å; Q990-S993 PolarHBondContact O-N 3.41Å |
| 994 | S | 97 | Very high | 96.9 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -86.5 | 164.4 | 176.4 | 91.3 | 0 | 0 | 0 | 0 | 111 | Q990 L996 | Q990-S994 WeakPolarHBondContact O-CA 3.41Å; Q990-S994 WeakPolarHBondContact O-CB 3.43Å; Q990-S994 PolarHBondContact O-N 2.95Å; Q990-S994 PolarHBondContact O-OG 3.22Å; Q990-S994 VanDerWaalsContact O-OG 3.07Å; S994-L996 PolarHBondContact O-N 3.35Å; S994-L996 WeakPolarHBondContact OG-CB 3.39Å; S994-L996 PolarHBondContact OG-N 3.41Å |
| 995 | P | 97.1 | Very high | 97 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -74.3 | -5.5 | 179.4 | 28.2 | -31.2 | 0 | 0 | 0 | 113.8 | H691 F997 N998 | H691-P995 HydrophobicContact CB-CG 4.36Å; P995-F997 VanDerWaalsContact C-N 3.26Å; P995-F997 PolarHBondContact O-N 3.03Å; P995-F997 VanDerWaalsContact O-N 3.12Å; P995-N998 PolarHBondContact O-N 3.47Å |
| 996 | L | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -56.8 | -33.9 | -169.9 | -175.5 | 63.3 | 0 | 0 | 0 | 114.4 | T692 I695 M924 L927 Q949 C952 L953 S994 | T692-L996 HydrophobicContact CG2-CD1 3.98Å; I695-L996 WeakPolarHBondContact CD1-O 3.46Å; M924-L996 HydrophobicContact CE-CD1 3.75Å; M924-L996 HydrophobicContact CE-CD2 4.35Å; M924-L996 HydrophobicContact CE-CG 3.68Å; M924-L996 WeakPolarHBondContact CE-O 3.47Å; M924-L996 HydrophobicContact SD-CD1 3.92Å; M924-L996 HydrophobicContact SD-CD2 4.43Å; M924-L996 HydrophobicContact SD-CG 4.21Å; L927-L996 HydrophobicContact CB-CD2 4.49Å; L927-L996 HydrophobicContact CD1-CD2 3.73Å; Q949-L996 HydrophobicContact CB-CD1 4.36Å; Q949-L996 HydrophobicContact CG-CD1 4.44Å; C952-L996 HydrophobicContact CB-CD1 4.17Å; L953-L996 HydrophobicContact CB-CD2 4.23Å; L953-L996 HydrophobicContact CD1-CD2 4.09Å; S994-L996 PolarHBondContact O-N 3.35Å; S994-L996 WeakPolarHBondContact OG-CB 3.39Å; S994-L996 PolarHBondContact OG-N 3.41Å |
| 997 | F | 98.5 | Very high | 97.4 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -116.1 | 13.5 | 176.9 | -64.1 | -84.9 | 0 | 0 | 0 | 112.6 | H698 A699 M924 L927 W928 R991 P995 T999 | H698-F997 HydrophobicContact CB-CD1 3.96Å; H698-F997 HydrophobicContact CB-CE1 3.9Å; H698-F997 AromaticContact CG-CE1 3.74Å; H698-F997 AromaticContact ND1-CD1 4Å; H698-F997 AromaticContact ND1-CE1 3.55Å; A699-F997 HydrophobicContact CB-CB 4.39Å; M924-F997 HydrophobicContact CB-CE1 4.17Å; M924-F997 HydrophobicContact CB-CZ 4.39Å; M924-F997 HydrophobicContact CE-CD1 3.84Å; M924-F997 HydrophobicContact CE-CE1 3.45Å; M924-F997 VanDerWaalsContact CE-CE1 3.45Å; M924-F997 HydrophobicContact CE-CE2 4.31Å; M924-F997 HydrophobicContact CE-CG 4.43Å; M924-F997 HydrophobicContact CE-CZ 3.71Å; M924-F997 WeakPolarHBondContact O-CZ 3.48Å; M924-F997 HydrophobicContact SD-CZ 4.48Å; L927-F997 HydrophobicContact CB-CE2 4.31Å; L927-F997 HydrophobicContact CB-CZ 4.23Å; W928-F997 HydrophobicContact CB-CE1 4Å; W928-F997 HydrophobicContact CB-CZ 3.83Å; W928-F997 HydrophobicContact CD2-CD1 4.49Å; W928-F997 HydrophobicContact CD2-CE1 4.42Å; W928-F997 HydrophobicContact CE3-CB 4.18Å; W928-F997 AromaticContact CE3-CD1 3.66Å; W928-F997 HydrophobicContact CE3-CD1 3.66Å; W928-F997 AromaticContact CE3-CD2 3.67Å; W928-F997 HydrophobicContact CE3-CD2 3.67Å; W928-F997 AromaticContact CE3-CE1 3.85Å; W928-F997 HydrophobicContact CE3-CE1 3.85Å; W928-F997 AromaticContact CE3-CE2 3.87Å; W928-F997 HydrophobicContact CE3-CE2 3.87Å; W928-F997 AromaticContact CE3-CG 3.56Å; W928-F997 HydrophobicContact CE3-CG 3.56Å; W928-F997 AromaticContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CZ3-CB 3.79Å; W928-F997 HydrophobicContact CZ3-CD1 4.13Å; W928-F997 AromaticContact CZ3-CD2 3.96Å; W928-F997 HydrophobicContact CZ3-CD2 3.96Å; W928-F997 AromaticContact CZ3-CG 3.7Å; W928-F997 HydrophobicContact CZ3-CG 3.7Å; R991-F997 HydrophobicContact CB-CD2 4.22Å; R991-F997 HydrophobicContact CB-CE2 4.08Å; R991-F997 WeakPolarHBondContact O-CD2 3.19Å; P995-F997 VanDerWaalsContact C-N 3.26Å; P995-F997 PolarHBondContact O-N 3.03Å; P995-F997 VanDerWaalsContact O-N 3.12Å; F997-T999 PolarHBondContact O-N 2.99Å |
| 998 | N | 98.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.353 | 22% | 0.217 | S | C | . | . | trans | -88.3 | 80.2 | 177.2 | -170.7 | -11.8 | 0 | 0 | 0 | 109.8 | P995 K1000 Q1001 Y1002 | P995-N998 PolarHBondContact O-N 3.47Å; N998-K1000 PolarHBondContact O-N 3.5Å; N998-Q1001 HydrophobicContact CB-CB 4.08Å; N998-Q1001 VanDerWaalsContact CG-CB 3.44Å; N998-Q1001 WeakPolarHBondContact ND2-CB 3.49Å; N998-Q1001 PolarHBondContact ND2-OE1 3.29Å; N998-Q1001 VanDerWaalsContact ND2-OE1 3.17Å; N998-Q1001 PolarHBondContact O-N 3.09Å; N998-Q1001 PolarHBondContact OD1-N 3.39Å; N998-Q1001 VanDerWaalsContact OD1-N 3.13Å; N998-Y1002 WeakPolarHBondContact O-CB 3.43Å; N998-Y1002 PolarHBondContact O-N 3.23Å | ||
| 999 | T | 98.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -31.8 | -178.4 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | M570 I695 F997 T1003 | M570-T999 VanDerWaalsContact CE-OG1 3.31Å; M570-T999 WeakPolarHBondContact CE-OG1 3.47Å; M570-T999 VanDerWaalsContact SD-CB 3.56Å; M570-T999 PolarHBondContact SD-OG1 2.96Å; I695-T999 HydrophobicContact CD1-CG2 4.06Å; I695-T999 HydrophobicContact CG1-CG2 3.84Å; F997-T999 PolarHBondContact O-N 2.99Å; T999-T1003 WeakPolarHBondContact O-CB 3.06Å; T999-T1003 PolarHBondContact O-N 3.48Å; T999-T1003 PolarHBondContact O-OG1 3.1Å |
| 1000 | K | 98.2 | Very high | 97.7 | Very high | 149 Ų | 149 | 40 Ų | 40 | 65% | 0.648 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -68.9 | -48.8 | 176.8 | -176.3 | 173.7 | -179 | 175.3 | 0 | 111.7 | M570 N998 Y1002 T1003 M1004 | M570-K1000 HydrophobicContact SD-CB 4.02Å; M570-K1000 PolarHBondContact SD-N 3.27Å; M570-K1000 VanDerWaalsContact SD-N 3.38Å; N998-K1000 PolarHBondContact O-N 3.5Å; K1000-Y1002 VanDerWaalsContact C-N 3.33Å; K1000-T1003 PolarHBondContact O-N 3.29Å; K1000-M1004 PolarHBondContact O-N 3.17Å; K1000-M1004 VanDerWaalsContact O-N 3.1Å |
| 1001 | Q | 98.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.5 | -177.5 | 179.5 | -3.7 | 0 | 0 | 110.9 | N998 T1003 M1004 E1005 | N998-Q1001 HydrophobicContact CB-CB 4.08Å; N998-Q1001 VanDerWaalsContact CG-CB 3.44Å; N998-Q1001 WeakPolarHBondContact ND2-CB 3.49Å; N998-Q1001 PolarHBondContact ND2-OE1 3.29Å; N998-Q1001 VanDerWaalsContact ND2-OE1 3.17Å; N998-Q1001 PolarHBondContact O-N 3.09Å; N998-Q1001 PolarHBondContact OD1-N 3.39Å; N998-Q1001 VanDerWaalsContact OD1-N 3.13Å; Q1001-T1003 VanDerWaalsContact C-N 3.28Å; Q1001-T1003 PolarHBondContact O-N 2.98Å; Q1001-M1004 WeakPolarHBondContact O-CB 3.42Å; Q1001-M1004 PolarHBondContact O-N 3.07Å; Q1001-E1005 WeakPolarHBondContact O-CG 3.43Å; Q1001-E1005 PolarHBondContact O-N 3.19Å |
| 1002 | Y | 98.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.6 | -45.5 | 175 | -176.7 | -80.6 | 0 | 0 | 0 | 111.8 | I567 W652 M689 F693 I695 N998 K1000 M1004 E1005 L1006 | I567-Y1002 HydrophobicContact CD1-CD1 3.6Å; I567-Y1002 HydrophobicContact CD1-CE1 3.73Å; W652-Y1002 AromaticContact CZ2-CE1 3.67Å; W652-Y1002 HydrophobicContact CZ2-CE1 3.67Å; W652-Y1002 AromaticContact CZ2-CZ 3.94Å; W652-Y1002 WeakPolarHBondContact CZ2-OH 3.48Å; W652-Y1002 PolarHBondContact NE1-OH 3.09Å; M689-Y1002 HydrophobicContact CE-CD1 4.34Å; M689-Y1002 HydrophobicContact CE-CD2 3.89Å; M689-Y1002 HydrophobicContact CE-CE1 4.11Å; M689-Y1002 HydrophobicContact CE-CE2 3.68Å; M689-Y1002 HydrophobicContact CE-CG 4.22Å; F693-Y1002 WeakPolarHBondContact O-CE2 3.28Å; F693-Y1002 PolarHBondContact O-OH 3.08Å; I695-Y1002 HydrophobicContact CB-CD1 4.32Å; I695-Y1002 HydrophobicContact CB-CD2 3.82Å; I695-Y1002 HydrophobicContact CB-CE1 4.32Å; I695-Y1002 HydrophobicContact CB-CE2 3.77Å; I695-Y1002 HydrophobicContact CB-CG 4.1Å; I695-Y1002 HydrophobicContact CD1-CD2 3.77Å; I695-Y1002 HydrophobicContact CD1-CG 3.81Å; I695-Y1002 HydrophobicContact CG1-CD1 4.16Å; I695-Y1002 HydrophobicContact CG1-CD2 3.92Å; I695-Y1002 HydrophobicContact CG1-CE2 4.38Å; I695-Y1002 HydrophobicContact CG1-CG 3.8Å; I695-Y1002 HydrophobicContact CG2-CE1 4.24Å; I695-Y1002 HydrophobicContact CG2-CE2 4.4Å; N998-Y1002 WeakPolarHBondContact O-CB 3.43Å; N998-Y1002 PolarHBondContact O-N 3.23Å; K1000-Y1002 VanDerWaalsContact C-N 3.33Å; Y1002-M1004 PolarHBondContact O-N 3.46Å; Y1002-E1005 PolarHBondContact O-N 3.27Å; Y1002-L1006 HydrophobicContact CE1-CB 4.44Å; Y1002-L1006 HydrophobicContact CE1-CD2 4.22Å; Y1002-L1006 WeakPolarHBondContact O-CB 3.34Å; Y1002-L1006 PolarHBondContact O-N 3.1Å |
| 1003 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | I567 M570 H571 T999 K1000 Q1001 E1005 L1006 E1007 | I567-T1003 HydrophobicContact CG2-CG2 4.16Å; M570-T1003 HydrophobicContact CB-CG2 4.15Å; H571-T1003 HydrophobicContact CB-CG2 4.4Å; T999-T1003 WeakPolarHBondContact O-CB 3.06Å; T999-T1003 PolarHBondContact O-N 3.48Å; T999-T1003 PolarHBondContact O-OG1 3.1Å; K1000-T1003 PolarHBondContact O-N 3.29Å; Q1001-T1003 VanDerWaalsContact C-N 3.28Å; Q1001-T1003 PolarHBondContact O-N 2.98Å; T1003-E1005 VanDerWaalsContact C-N 3.34Å; T1003-E1005 PolarHBondContact O-N 3.15Å; T1003-L1006 WeakPolarHBondContact O-CB 3.46Å; T1003-L1006 PolarHBondContact O-N 3.23Å; T1003-E1007 WeakPolarHBondContact O-CB 3.48Å; T1003-E1007 VanDerWaalsContact O-CG 3.27Å; T1003-E1007 WeakPolarHBondContact O-CG 3.29Å; T1003-E1007 PolarHBondContact O-N 3.46Å |
| 1004 | M | 98.5 | Very high | 98.2 | Very high | 102 Ų | 102 | 36.9 Ų | 36.9 | 50% | 0.502 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 175.3 | -174.8 | -168.9 | 73.6 | 0 | 0 | 112.6 | K1000 Q1001 Y1002 E1007 R1008 | K1000-M1004 PolarHBondContact O-N 3.17Å; K1000-M1004 VanDerWaalsContact O-N 3.1Å; Q1001-M1004 WeakPolarHBondContact O-CB 3.42Å; Q1001-M1004 PolarHBondContact O-N 3.07Å; Y1002-M1004 PolarHBondContact O-N 3.46Å; M1004-E1007 WeakPolarHBondContact O-CB 3.24Å; M1004-E1007 PolarHBondContact O-N 3.36Å; M1004-R1008 PolarHBondContact O-N 3.31Å |
| 1005 | E | 98.1 | Very high | 98.3 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71 | -35.5 | 176.3 | -62.6 | -55.9 | 160.9 | 0 | 0 | 112.1 | M689 P690 Q1001 Y1002 T1003 E1007 R1008 L1009 | M689-E1005 HydrophobicContact CE-CB 3.89Å; P690-E1005 HydrophobicContact CG-CB 3.88Å; P690-E1005 HydrophobicContact CG-CG 3.7Å; Q1001-E1005 WeakPolarHBondContact O-CG 3.43Å; Q1001-E1005 PolarHBondContact O-N 3.19Å; Y1002-E1005 PolarHBondContact O-N 3.27Å; T1003-E1005 VanDerWaalsContact C-N 3.34Å; T1003-E1005 PolarHBondContact O-N 3.15Å; E1005-E1007 VanDerWaalsContact C-N 3.34Å; E1005-R1008 WeakPolarHBondContact O-CB 3.45Å; E1005-R1008 PolarHBondContact O-N 3.46Å; E1005-L1009 PolarHBondContact O-N 3.25Å |
| 1006 | L | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 173.8 | -174.2 | 64.7 | 0 | 0 | 0 | 111.2 | Y550 I567 W652 I668 M689 Y1002 T1003 L1009 Y1010 | Y550-L1006 WeakPolarHBondContact OH-CD2 3.44Å; I567-L1006 HydrophobicContact CG2-CD2 4.46Å; W652-L1006 HydrophobicContact CH2-CD2 4.47Å; W652-L1006 HydrophobicContact CZ2-CD2 4.4Å; I668-L1006 HydrophobicContact CD1-CD1 3.82Å; I668-L1006 HydrophobicContact CG2-CD1 4.44Å; M689-L1006 HydrophobicContact CE-CB 4.26Å; M689-L1006 HydrophobicContact SD-CB 4.42Å; M689-L1006 HydrophobicContact SD-CD1 4.08Å; Y1002-L1006 HydrophobicContact CE1-CB 4.44Å; Y1002-L1006 HydrophobicContact CE1-CD2 4.22Å; Y1002-L1006 WeakPolarHBondContact O-CB 3.34Å; Y1002-L1006 PolarHBondContact O-N 3.1Å; T1003-L1006 WeakPolarHBondContact O-CB 3.46Å; T1003-L1006 PolarHBondContact O-N 3.23Å; L1006-L1009 WeakPolarHBondContact O-CB 3.22Å; L1006-L1009 PolarHBondContact O-N 3.1Å; L1006-Y1010 HydrophobicContact CD1-CE1 3.98Å; L1006-Y1010 HydrophobicContact CD1-CE2 4.28Å; L1006-Y1010 HydrophobicContact CD2-CE2 3.97Å; L1006-Y1010 HydrophobicContact CG-CD2 4.28Å; L1006-Y1010 HydrophobicContact CG-CE1 4.26Å; L1006-Y1010 HydrophobicContact CG-CE2 3.65Å; L1006-Y1010 VanDerWaalsContact O-CG 3.32Å; L1006-Y1010 PolarHBondContact O-N 3.17Å |
| 1007 | E | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 172.5 | -76.6 | 178.5 | 165.6 | 0 | 0 | 112.2 | H571 N572 F576 T1003 M1004 E1005 L1009 Y1010 L1011 | H571-E1007 VanDerWaalsContact CA-OE1 3.24Å; H571-E1007 WeakPolarHBondContact CA-OE1 3.27Å; H571-E1007 IonicContact CE1-OE1 3.17Å; H571-E1007 IonicContact CG-OE1 3.78Å; H571-E1007 WeakPolarHBondContact ND1-CG 3.28Å; H571-E1007 IonicContact ND1-OE1 3.25Å; H571-E1007 PolarHBondContact ND1-OE1 2.82Å; N572-E1007 PolarHBondContact N-OE1 3.39Å; F576-E1007 HydrophobicContact CD1-CG 4.36Å; F576-E1007 HydrophobicContact CD2-CB 4.32Å; F576-E1007 HydrophobicContact CD2-CG 3.69Å; F576-E1007 WeakPolarHBondContact CD2-OE1 3.33Å; F576-E1007 HydrophobicContact CE1-CB 4.18Å; F576-E1007 HydrophobicContact CE1-CG 4.04Å; F576-E1007 HydrophobicContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CD 3.45Å; F576-E1007 HydrophobicContact CE2-CG 3.36Å; F576-E1007 HydrophobicContact CG-CG 4.2Å; F576-E1007 HydrophobicContact CZ-CB 3.39Å; F576-E1007 HydrophobicContact CZ-CG 3.55Å; T1003-E1007 WeakPolarHBondContact O-CB 3.48Å; T1003-E1007 VanDerWaalsContact O-CG 3.27Å; T1003-E1007 WeakPolarHBondContact O-CG 3.29Å; T1003-E1007 PolarHBondContact O-N 3.46Å; M1004-E1007 WeakPolarHBondContact O-CB 3.24Å; M1004-E1007 PolarHBondContact O-N 3.36Å; E1005-E1007 VanDerWaalsContact C-N 3.34Å; E1007-L1009 VanDerWaalsContact C-N 3.29Å; E1007-L1009 PolarHBondContact O-N 3.32Å; E1007-Y1010 PolarHBondContact O-N 3.12Å; E1007-L1011 WeakPolarHBondContact O-CG 3.47Å; E1007-L1011 PolarHBondContact O-N 3.48Å |
| 1008 | R | 98.2 | Very high | 98.3 | Very high | 120 Ų | 120 | 46.6 Ų | 46.6 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 174.9 | -173.5 | -179.7 | -179.5 | 128.8 | 0.4 | 111.3 | M1004 E1005 L1011 Q1012 | M1004-R1008 PolarHBondContact O-N 3.31Å; E1005-R1008 WeakPolarHBondContact O-CB 3.45Å; E1005-R1008 PolarHBondContact O-N 3.46Å; R1008-L1011 PolarHBondContact O-N 3.42Å; R1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; R1008-Q1012 PolarHBondContact O-N 3.04Å; R1008-Q1012 VanDerWaalsContact O-N 3.07Å |
| 1009 | L | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 176.7 | -173.6 | 62.3 | 0 | 0 | 0 | 111.8 | I668 A687 M689 E1005 L1006 E1007 Q1012 M1013 M1026 | I668-L1009 HydrophobicContact CG1-CD2 4.43Å; I668-L1009 HydrophobicContact CG2-CD2 4.06Å; A687-L1009 HydrophobicContact CB-CD1 4.1Å; A687-L1009 HydrophobicContact CB-CD2 4Å; A687-L1009 HydrophobicContact CB-CG 4.35Å; M689-L1009 HydrophobicContact CG-CD2 4.44Å; M689-L1009 HydrophobicContact SD-CD2 3.92Å; E1005-L1009 PolarHBondContact O-N 3.25Å; L1006-L1009 WeakPolarHBondContact O-CB 3.22Å; L1006-L1009 PolarHBondContact O-N 3.1Å; E1007-L1009 VanDerWaalsContact C-N 3.29Å; E1007-L1009 PolarHBondContact O-N 3.32Å; L1009-Q1012 WeakPolarHBondContact O-CB 3.21Å; L1009-Q1012 PolarHBondContact O-N 2.9Å; L1009-M1013 HydrophobicContact CD2-CE 4.28Å; L1009-M1013 HydrophobicContact CG-CE 4.08Å; L1009-M1013 WeakPolarHBondContact O-CG 3.35Å; L1009-M1013 PolarHBondContact O-N 2.97Å; L1009-M1026 HydrophobicContact CD1-CB 4.04Å |
| 1010 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.5 | -70.8 | -23 | 0 | 0 | 0 | 113.2 | V548 Y550 F576 I625 V627 I668 L1006 E1007 Q1012 M1013 W1014 | V548-Y1010 HydrophobicContact CG1-CD2 4.45Å; V548-Y1010 HydrophobicContact CG1-CE2 3.85Å; V548-Y1010 HydrophobicContact CG2-CD2 3.97Å; V548-Y1010 HydrophobicContact CG2-CE2 4.18Å; Y550-Y1010 WeakPolarHBondContact OH-CE2 3.49Å; Y550-Y1010 PolarHBondContact OH-OH 3.01Å; F576-Y1010 HydrophobicContact CE1-CD2 4.29Å; I625-Y1010 HydrophobicContact CD1-CD1 3.72Å; I625-Y1010 HydrophobicContact CD1-CG 3.85Å; I625-Y1010 HydrophobicContact CG2-CD1 4.19Å; I625-Y1010 HydrophobicContact CG2-CE1 4.11Å; V627-Y1010 HydrophobicContact CG2-CE1 4.49Å; V627-Y1010 WeakPolarHBondContact CG2-OH 3.45Å; I668-Y1010 HydrophobicContact CD1-CE1 3.85Å; L1006-Y1010 HydrophobicContact CD1-CE1 3.98Å; L1006-Y1010 HydrophobicContact CD1-CE2 4.28Å; L1006-Y1010 HydrophobicContact CD2-CE2 3.97Å; L1006-Y1010 HydrophobicContact CG-CD2 4.28Å; L1006-Y1010 HydrophobicContact CG-CE1 4.26Å; L1006-Y1010 HydrophobicContact CG-CE2 3.65Å; L1006-Y1010 VanDerWaalsContact O-CG 3.32Å; L1006-Y1010 PolarHBondContact O-N 3.17Å; E1007-Y1010 PolarHBondContact O-N 3.12Å; Y1010-Q1012 VanDerWaalsContact C-N 3.33Å; Y1010-M1013 HydrophobicContact CD1-SD 4.02Å; Y1010-M1013 PolarHBondContact O-N 3.21Å; Y1010-W1014 WeakPolarHBondContact O-CB 3.31Å; Y1010-W1014 PolarHBondContact O-N 3.24Å |
| 1011 | L | 98.2 | Very high | 98.2 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.6 | -68.7 | 170.9 | 0 | 0 | 0 | 111.1 | F576 E1007 R1008 M1013 W1014 E1015 | F576-L1011 HydrophobicContact CZ-CD1 4.28Å; F576-L1011 HydrophobicContact CZ-CD2 4.16Å; F576-L1011 HydrophobicContact CZ-CG 3.92Å; E1007-L1011 WeakPolarHBondContact O-CG 3.47Å; E1007-L1011 PolarHBondContact O-N 3.48Å; R1008-L1011 PolarHBondContact O-N 3.42Å; L1011-M1013 PolarHBondContact O-N 2.91Å; L1011-W1014 PolarHBondContact O-N 3.29Å; L1011-E1015 WeakPolarHBondContact O-CB 3.31Å; L1011-E1015 VanDerWaalsContact O-CG 3.25Å; L1011-E1015 WeakPolarHBondContact O-CG 3.5Å; L1011-E1015 PolarHBondContact O-N 3.43Å |
| 1012 | Q | 98 | Very high | 98.2 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.4 | -69.9 | 175.2 | -19 | 0 | 0 | 112.2 | R1008 L1009 Y1010 W1014 H1016 M1026 | R1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; R1008-Q1012 PolarHBondContact O-N 3.04Å; R1008-Q1012 VanDerWaalsContact O-N 3.07Å; L1009-Q1012 WeakPolarHBondContact O-CB 3.21Å; L1009-Q1012 PolarHBondContact O-N 2.9Å; Y1010-Q1012 VanDerWaalsContact C-N 3.33Å; Q1012-W1014 VanDerWaalsContact C-N 3.33Å; Q1012-W1014 PolarHBondContact O-N 3.32Å; Q1012-H1016 WeakPolarHBondContact O-CB 3.45Å; Q1012-H1016 PolarHBondContact O-N 3.12Å; Q1012-H1016 VanDerWaalsContact O-N 3.1Å; Q1012-M1026 HydrophobicContact CB-SD 4.39Å |
| 1013 | M | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 175.1 | -69.3 | 176.3 | 177.8 | 0 | 0 | 111.4 | I625 I648 Y666 I668 A687 L1009 Y1010 L1011 Y1017 | I625-M1013 HydrophobicContact CD1-CB 4.17Å; I625-M1013 HydrophobicContact CD1-SD 4.32Å; I648-M1013 HydrophobicContact CD1-CB 4.27Å; I648-M1013 HydrophobicContact CG2-SD 4.44Å; Y666-M1013 HydrophobicContact CD1-CE 4.09Å; Y666-M1013 HydrophobicContact CD2-CE 4.31Å; Y666-M1013 HydrophobicContact CD2-CG 4.34Å; Y666-M1013 HydrophobicContact CD2-SD 4.22Å; Y666-M1013 HydrophobicContact CE2-CG 4.23Å; Y666-M1013 HydrophobicContact CG-CE 3.84Å; Y666-M1013 HydrophobicContact CG-SD 4.34Å; I668-M1013 HydrophobicContact CG1-CE 4.16Å; A687-M1013 HydrophobicContact CB-CE 3.31Å; L1009-M1013 HydrophobicContact CD2-CE 4.28Å; L1009-M1013 HydrophobicContact CG-CE 4.08Å; L1009-M1013 WeakPolarHBondContact O-CG 3.35Å; L1009-M1013 PolarHBondContact O-N 2.97Å; Y1010-M1013 HydrophobicContact CD1-SD 4.02Å; Y1010-M1013 PolarHBondContact O-N 3.21Å; L1011-M1013 PolarHBondContact O-N 2.91Å; M1013-Y1017 WeakPolarHBondContact O-CB 3.48Å; M1013-Y1017 PolarHBondContact O-N 3.09Å |
| 1014 | W | 98.5 | Very high | 98.1 | Very high | 16 Ų | 16 | 57 Ų | 57 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -45.2 | -178.7 | 178.8 | -107.4 | 0 | 0 | 0 | 112.7 | L539 L546 H624 P647 I648 Y1010 L1011 Q1012 H1016 Y1017 A1018 | L539-W1014 HydrophobicContact CD2-CD2 4.14Å; L539-W1014 VanDerWaalsContact CD2-CE2 3.43Å; L539-W1014 HydrophobicContact CD2-CH2 4.27Å; L539-W1014 HydrophobicContact CD2-CZ2 3.5Å; L539-W1014 HydrophobicContact CG-CZ2 3.97Å; L546-W1014 HydrophobicContact CD1-CB 3.89Å; L546-W1014 HydrophobicContact CD1-CD2 3.62Å; L546-W1014 HydrophobicContact CD1-CE3 3.9Å; L546-W1014 HydrophobicContact CD1-CG 3.59Å; L546-W1014 HydrophobicContact CD2-CB 4.29Å; H624-W1014 HydrophobicContact CB-CE3 3.96Å; H624-W1014 HydrophobicContact CB-CZ3 3.82Å; H624-W1014 AromaticContact CD2-CH2 3.37Å; H624-W1014 WeakPolarHBondContact CD2-CH2 3.24Å; H624-W1014 AromaticContact CD2-CZ3 3.51Å; H624-W1014 AromaticContact CG-CZ3 3.97Å; P647-W1014 HydrophobicContact CG-CZ3 4.3Å; I648-W1014 HydrophobicContact CD1-CE3 4.08Å; Y1010-W1014 WeakPolarHBondContact O-CB 3.31Å; Y1010-W1014 PolarHBondContact O-N 3.24Å; L1011-W1014 PolarHBondContact O-N 3.29Å; Q1012-W1014 VanDerWaalsContact C-N 3.33Å; Q1012-W1014 PolarHBondContact O-N 3.32Å; W1014-H1016 VanDerWaalsContact C-N 3.29Å; W1014-H1016 PolarHBondContact O-N 2.9Å; W1014-Y1017 AromaticContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CH2-CD1 4.15Å; W1014-Y1017 HydrophobicContact CH2-CE1 4.26Å; W1014-Y1017 AromaticContact CZ3-CD1 3.58Å; W1014-Y1017 HydrophobicContact CZ3-CD1 3.58Å; W1014-Y1017 AromaticContact CZ3-CE1 3.91Å; W1014-Y1017 HydrophobicContact CZ3-CE1 3.91Å; W1014-Y1017 PolarHBondContact O-N 2.81Å; W1014-A1018 HydrophobicContact CZ2-CB 4.48Å; W1014-A1018 WeakPolarHBondContact O-CB 3.38Å; W1014-A1018 PolarHBondContact O-N 3.01Å |
| 1015 | E | 97.9 | Very high | 98.1 | Very high | 128 Ų | 128 | 55.1 Ų | 55.1 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 177 | -76.5 | 173.1 | -171.8 | 0 | 0 | 111.2 | L1011 A1018 A1019 | L1011-E1015 WeakPolarHBondContact O-CB 3.31Å; L1011-E1015 VanDerWaalsContact O-CG 3.25Å; L1011-E1015 WeakPolarHBondContact O-CG 3.5Å; L1011-E1015 PolarHBondContact O-N 3.43Å; E1015-A1018 PolarHBondContact O-N 2.95Å; E1015-A1019 WeakPolarHBondContact O-CB 3.49Å; E1015-A1019 PolarHBondContact O-N 3.15Å |
| 1016 | H | 98.1 | Very high | 98.1 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 22% | 0.218 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.9 | -172.2 | 72 | 0 | 0 | 0 | 112.1 | Q1012 W1014 A1019 N1021 K1022 M1026 | Q1012-H1016 WeakPolarHBondContact O-CB 3.45Å; Q1012-H1016 PolarHBondContact O-N 3.12Å; Q1012-H1016 VanDerWaalsContact O-N 3.1Å; W1014-H1016 VanDerWaalsContact C-N 3.29Å; W1014-H1016 PolarHBondContact O-N 2.9Å; H1016-A1019 PolarHBondContact O-N 3.3Å; H1016-N1021 WeakPolarHBondContact CE1-CB 3.48Å; H1016-N1021 PolarHBondContact ND1-ND2 3.12Å; H1016-N1021 VanDerWaalsContact NE2-CB 3.34Å; H1016-N1021 WeakPolarHBondContact NE2-CB 3.48Å; H1016-N1021 WeakPolarHBondContact O-CB 3.26Å; H1016-N1021 PolarHBondContact O-N 2.73Å; H1016-K1022 PolarHBondContact CD2-O 3.41Å; H1016-K1022 PolarHBondContact NE2-O 3.06Å; H1016-M1026 HydrophobicContact CB-CE 3.39Å |
| 1017 | Y | 98.3 | Very high | 97.7 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 14% | 0.137 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 176.2 | 175.4 | -94 | 0 | 0 | 0 | 112.7 | H535 P536 K537 P647 I648 M1013 W1014 A1019 G1020 | H535-Y1017 WeakPolarHBondContact CB-OH 3.4Å; P536-Y1017 WeakPolarHBondContact O-CE1 3.24Å; K537-Y1017 HydrophobicContact CD-CE1 3.81Å; K537-Y1017 VanDerWaalsContact CD-OH 3.25Å; K537-Y1017 WeakPolarHBondContact CD-OH 3.34Å; K537-Y1017 WeakPolarHBondContact CE-OH 3.38Å; P647-Y1017 HydrophobicContact CB-CD1 4.35Å; P647-Y1017 HydrophobicContact CB-CD2 4.24Å; P647-Y1017 HydrophobicContact CB-CE1 3.7Å; P647-Y1017 HydrophobicContact CB-CE2 3.54Å; P647-Y1017 VanDerWaalsContact CB-OH 3.32Å; P647-Y1017 WeakPolarHBondContact CB-OH 3.46Å; P647-Y1017 HydrophobicContact CG-CE1 4.15Å; I648-Y1017 HydrophobicContact CD1-CG 4.08Å; I648-Y1017 HydrophobicContact CG1-CD2 4.19Å; I648-Y1017 HydrophobicContact CG1-CG 4.09Å; M1013-Y1017 WeakPolarHBondContact O-CB 3.48Å; M1013-Y1017 PolarHBondContact O-N 3.09Å; W1014-Y1017 AromaticContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CH2-CD1 4.15Å; W1014-Y1017 HydrophobicContact CH2-CE1 4.26Å; W1014-Y1017 AromaticContact CZ3-CD1 3.58Å; W1014-Y1017 HydrophobicContact CZ3-CD1 3.58Å; W1014-Y1017 AromaticContact CZ3-CE1 3.91Å; W1014-Y1017 HydrophobicContact CZ3-CE1 3.91Å; W1014-Y1017 PolarHBondContact O-N 2.81Å; Y1017-A1019 PolarHBondContact O-N 2.89Å; Y1017-G1020 WeakPolarHBondContact O-CA 3.41Å; Y1017-G1020 PolarHBondContact O-N 3.36Å |
| 1018 | A | 97.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 65.8 Ų | 65.8 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -27.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1014 E1015 G1020 | W1014-A1018 HydrophobicContact CZ2-CB 4.48Å; W1014-A1018 WeakPolarHBondContact O-CB 3.38Å; W1014-A1018 PolarHBondContact O-N 3.01Å; E1015-A1018 PolarHBondContact O-N 2.95Å; A1018-G1020 PolarHBondContact O-N 3.09Å |
| 1019 | A | 97.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -1.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1015 H1016 Y1017 | E1015-A1019 WeakPolarHBondContact O-CB 3.49Å; E1015-A1019 PolarHBondContact O-N 3.15Å; H1016-A1019 PolarHBondContact O-N 3.3Å; Y1017-A1019 PolarHBondContact O-N 2.89Å |
| 1020 | G | 96.9 | Very high | 92.7 | Very high | 66 Ų | 66 | 67.7 Ų | 67.7 | 68% | 0.68 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 9.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1017 A1018 | Y1017-G1020 WeakPolarHBondContact O-CA 3.41Å; Y1017-G1020 PolarHBondContact O-N 3.36Å; A1018-G1020 PolarHBondContact O-N 3.09Å |
| 1021 | N | 98.2 | Very high | 89.9 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 149.3 | -179.5 | -58.7 | -43.1 | 0 | 0 | 0 | 111.6 | H1016 | H1016-N1021 WeakPolarHBondContact CE1-CB 3.48Å; H1016-N1021 PolarHBondContact ND1-ND2 3.12Å; H1016-N1021 VanDerWaalsContact NE2-CB 3.34Å; H1016-N1021 WeakPolarHBondContact NE2-CB 3.48Å; H1016-N1021 WeakPolarHBondContact O-CB 3.26Å; H1016-N1021 PolarHBondContact O-N 2.73Å |
| 1022 | K | 97.5 | Very high | 87 | Confident | 183 Ų | 183 | 78.8 Ų | 78.8 | 80% | 0.796 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 157.7 | 165.8 | -69.2 | -177.2 | -178.5 | 179.1 | 0 | 110.1 | H1016 D1024 | H1016-K1022 PolarHBondContact CD2-O 3.41Å; H1016-K1022 PolarHBondContact NE2-O 3.06Å; K1022-D1024 PolarHBondContact O-N 3.04Å |
| 1023 | P | 98.3 | Very high | 83.7 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 130.9 | 176.6 | -28.2 | 34.6 | 0 | 0 | 0 | 112.8 | D665 Y666 K685 | D665-P1023 HydrophobicContact CB-CB 3.97Å; D665-P1023 HydrophobicContact CB-CG 3.53Å; Y666-P1023 HydrophobicContact CE2-CB 3.79Å; Y666-P1023 HydrophobicContact CE2-CG 4.26Å; Y666-P1023 WeakPolarHBondContact OH-CA 3.48Å; K685-P1023 WeakPolarHBondContact CE-O 3.48Å; K685-P1023 HydrophobicContact CG-CB 3.98Å |
| 1024 | D | 98 | Very high | 80.4 | Confident | 81 Ų | 81 | 89.9 Ų | 89.9 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | trans | -139.1 | 161.9 | 171.6 | -149.3 | -20.2 | 0 | 0 | 0 | 110.6 | Y666 K685 K1022 M1026 | Y666-D1024 WeakPolarHBondContact CE1-O 3.46Å; Y666-D1024 PolarHBondContact OH-N 3.36Å; Y666-D1024 PolarHBondContact OH-O 3.33Å; K685-D1024 IonicContact NZ-OD1 2.77Å; K1022-D1024 PolarHBondContact O-N 3.04Å; D1024-M1026 PolarHBondContact O-N 3.07Å | ||
| 1025 | H | 98.1 | Very high | 76.9 | Confident | 61 Ų | 61 | 94 Ų | 94 | 28% | 0.282 | 52% | 0.521 | S | S | . | . | trans | -56.8 | 124.5 | -175.3 | -63.5 | -79.8 | 0 | 0 | 0 | 112.2 | L686 I1027 | L686-H1025 PolarHBondContact N-ND1 3.28Å; L686-H1025 VanDerWaalsContact N-ND1 3.16Å; L686-H1025 CarbonylContact O-C 3.46Å; L686-H1025 WeakPolarHBondContact O-CA 3.33Å; H1025-I1027 HydrophobicContact CB-CD1 4.13Å; H1025-I1027 HydrophobicContact CB-CG1 4Å; H1025-I1027 HydrophobicContact CB-CG2 3.91Å; H1025-I1027 PolarHBondContact O-N 3.19Å | ||
| 1026 | M | 97.4 | Very high | 73.6 | Confident | 26 Ų | 26 | 96.4 Ų | 96.4 | 13% | 0.128 | 56% | 0.563 | C | S | . | * | B | Isolated β-bridge | trans | -95.5 | 70.3 | 173.1 | -60 | -58 | 178.9 | 0 | 0 | 109.5 | Y666 L686 A687 Y688 L1009 Q1012 H1016 D1024 | Y666-M1026 HydrophobicContact CE1-CG 3.98Å; Y666-M1026 WeakPolarHBondContact OH-CE 3.47Å; L686-M1026 PolarHBondContact O-N 3.48Å; A687-M1026 HydrophobicContact CB-CB 4.27Å; Y688-M1026 PolarHBondContact N-O 2.97Å; L1009-M1026 HydrophobicContact CD1-CB 4.04Å; Q1012-M1026 HydrophobicContact CB-SD 4.39Å; H1016-M1026 HydrophobicContact CB-CE 3.39Å; D1024-M1026 PolarHBondContact O-N 3.07Å |
| 1027 | I | 90.9 | Very high | 72.4 | Confident | 62 Ų | 62 | 98.9 Ų | 98.9 | 32% | 0.318 | 58% | 0.58 | S | S | . | * | trans | -117.3 | 11.2 | -169.4 | 61.1 | 169.6 | 0 | 0 | 0 | 113.8 | L686 Y688 H1025 | L686-I1027 HydrophobicContact CB-CG2 4.03Å; Y688-I1027 HydrophobicContact CD1-CG2 3.95Å; Y688-I1027 HydrophobicContact CD2-CB 3.74Å; Y688-I1027 HydrophobicContact CD2-CG2 3.75Å; Y688-I1027 HydrophobicContact CE1-CG2 3.74Å; Y688-I1027 HydrophobicContact CE2-CB 3.61Å; Y688-I1027 HydrophobicContact CE2-CG2 3.52Å; Y688-I1027 HydrophobicContact CG-CB 4.34Å; Y688-I1027 HydrophobicContact CG-CG2 3.94Å; Y688-I1027 VanDerWaalsContact CZ-CG2 3.5Å; H1025-I1027 HydrophobicContact CB-CD1 4.13Å; H1025-I1027 HydrophobicContact CB-CG1 4Å; H1025-I1027 HydrophobicContact CB-CG2 3.91Å; H1025-I1027 PolarHBondContact O-N 3.19Å | ||
| 1028 | K | 74.4 | Confident | 71 | Confident | 185 Ų | 185 | 102.3 Ų | 102.3 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -61.4 | 129 | 178 | -76.4 | -174.2 | 179.7 | 178.9 | 0 | 109 | V1030 | K1028-V1030 PolarHBondContact O-N 3.34Å; K1028-V1030 VanDerWaalsContact O-N 3.11Å | ||
| 1029 | P | 62.6 | Low | 69.6 | Low | 114 Ų | 114 | 105.2 Ų | 105.2 | 74% | 0.74 | 61% | 0.614 | S | S | * | * | trans | -54.5 | 122.5 | 168.4 | -18.2 | 29 | 0 | 0 | 0 | 107.4 | E1031 | P1029-E1031 PolarHBondContact O-N 3.3Š| ||
| 1030 | V | 52 | Low | 67.9 | Low | 49 Ų | 49 | 107.2 Ų | 107.2 | 30% | 0.297 | 62% | 0.615 | S | S | . | * | trans | -64.9 | 112.2 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 105.8 | P690 K1028 V1032 | P690-V1030 HydrophobicContact CB-CG2 4.3Å; K1028-V1030 PolarHBondContact O-N 3.34Å; K1028-V1030 VanDerWaalsContact O-N 3.11Å; V1030-V1032 VanDerWaalsContact C-N 3.31Å; V1030-V1032 PolarHBondContact O-N 2.7Å | ||
| 1031 | E | 40.3 | Very low | 66.1 | Low | 169 Ų | 169 | 109.8 Ų | 109.8 | 79% | 0.79 | 61% | 0.611 | S | S | * | * | trans | -58.3 | 102.8 | 164.5 | -78 | -177 | 170.3 | 0 | 0 | 106.3 | P1029 T1033 | P1029-E1031 PolarHBondContact O-N 3.3Å; E1031-T1033 PolarHBondContact O-N 3.42Å | ||
| 1032 | V | 37.2 | Very low | 64 | Low | 127 Ų | 127 | 111.8 Ų | 111.8 | 77% | 0.77 | 62% | 0.624 | S | S | * | * | trans | -64.8 | 93.3 | 172 | -177 | 0 | 0 | 0 | 0 | 105.3 | V1030 E1034 | V1030-V1032 VanDerWaalsContact C-N 3.31Å; V1030-V1032 PolarHBondContact O-N 2.7Å; V1032-E1034 PolarHBondContact O-N 3.22Å; V1032-E1034 VanDerWaalsContact O-N 3.14Å | ||
| 1033 | T | 29 | Very low | 61.6 | Low | 100 Ų | 100 | 106.7 Ų | 106.7 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | trans | -69 | 108.9 | 169.1 | 19.5 | 0 | 0 | 0 | 0 | 105.4 | E1031 S1035 | E1031-T1033 PolarHBondContact O-N 3.42Å; T1033-S1035 PolarHBondContact O-N 3.43Å | ||
| 1034 | E | 28.6 | Very low | 58.7 | Low | 197 Ų | 197 | 111.7 Ų | 111.7 | 92% | 0.921 | 64% | 0.638 | S | S | * | * | trans | -60.3 | 82.1 | 168 | -74.3 | -177.1 | 156.7 | 0 | 0 | 108.8 | V1032 | V1032-E1034 PolarHBondContact O-N 3.22Å; V1032-E1034 VanDerWaalsContact O-N 3.14Å | ||
| 1035 | S | 26.5 | Very low | 55.5 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | -147.8 | 81.7 | 163.6 | 66.7 | 0 | 0 | 0 | 0 | 108.7 | T1033 | T1033-S1035 PolarHBondContact O-N 3.43Š| ||
| 1036 | A | 28.5 | Very low | 51.6 | Low | 178 Ų | 178 | 119.1 Ų | 119.1 | 100% | 1.471 | 69% | 0.688 | S | S | * | * | trans | -130.6 | 0 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108 |
Retrieved 1,036 of 1,036 residues in 287.4 ms
(Link to these results)