| 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 | 51.6 | Low | 68.5 | Low | 218 Ų | 218 | 119.5 Ų | 119.5 | 100% | 1.074 | 60% | 0.603 | S | S | * | * | 0 | 67.1 | 0 | -61 | 150.5 | 71 | 0 | 0 | 111.6 | |||||
| 2 | R | 63 | Low | 69.2 | Low | 206 Ų | 206 | 118.7 Ų | 118.7 | 78% | 0.777 | 60% | 0.595 | S | S | * | * | trans | -122.4 | -3 | 179.9 | -70.2 | -174.3 | -178 | 162.8 | 1.9 | 115.2 | P5 | R2-P5 WeakPolarHBondContact O-CG 3.01Š| ||
| 3 | I | 60 | Low | 69.6 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.1 | -43.8 | 177.8 | -55.2 | 170.9 | 0 | 0 | 0 | 110.6 | V6 V7 | I3-V6 PolarHBondContact O-N 3.46Å; I3-V7 HydrophobicContact CG2-CG2 3.94Å; I3-V7 PolarHBondContact O-N 3.48Å |
| 4 | F | 58.7 | Low | 70 | Confident | 167 Ų | 167 | 113.8 Ų | 113.8 | 73% | 0.732 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -48.9 | -50 | 177.3 | -71.5 | -76.9 | 0 | 0 | 0 | 115 | V6 V7 L8 | F4-V6 VanDerWaalsContact C-N 3.32Å; F4-V6 PolarHBondContact O-N 2.89Å; F4-V7 PolarHBondContact O-N 2.9Å; F4-L8 WeakPolarHBondContact O-CB 3.12Å; F4-L8 PolarHBondContact O-N 2.92Å |
| 5 | P | 66.8 | Low | 70.3 | Confident | 65 Ų | 65 | 111.8 Ų | 111.8 | 42% | 0.422 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.4 | -30.8 | 177.1 | 24.5 | -34.6 | 0 | 0 | 0 | 113.4 | R2 L9 | R2-P5 WeakPolarHBondContact O-CG 3.01Å; P5-L9 WeakPolarHBondContact O-CB 3.05Å; P5-L9 WeakPolarHBondContact O-CD1 3.5Å; P5-L9 WeakPolarHBondContact O-CG 3.43Å; P5-L9 PolarHBondContact O-N 2.98Å |
| 6 | V | 71.9 | Confident | 70.2 | Confident | 83 Ų | 83 | 110.7 Ų | 110.7 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.6 | -44.9 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | I3 F4 L8 L9 L10 | I3-V6 PolarHBondContact O-N 3.46Å; F4-V6 VanDerWaalsContact C-N 3.32Å; F4-V6 PolarHBondContact O-N 2.89Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L9 PolarHBondContact O-N 3.1Å; V6-L10 HydrophobicContact CG1-CD1 4.25Å; V6-L10 WeakPolarHBondContact O-CG 3.1Å; V6-L10 PolarHBondContact O-N 3.38Å |
| 7 | V | 76.4 | Confident | 69.8 | Low | 75 Ų | 75 | 108.3 Ų | 108.3 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.5 | -41.3 | 174.3 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | I3 F4 L10 V11 | I3-V7 HydrophobicContact CG2-CG2 3.94Å; I3-V7 PolarHBondContact O-N 3.48Å; F4-V7 PolarHBondContact O-N 2.9Å; V7-L10 PolarHBondContact O-N 3.22Å; V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 2.81Å |
| 8 | L | 71.6 | Confident | 69.4 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.8 | -45.3 | 175.1 | -171.6 | 70.7 | 0 | 0 | 0 | 111.3 | F4 V6 L10 V11 H12 | F4-L8 WeakPolarHBondContact O-CB 3.12Å; F4-L8 PolarHBondContact O-N 2.92Å; V6-L8 VanDerWaalsContact C-N 3.34Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.09Å; L8-V11 PolarHBondContact O-N 2.74Å; L8-H12 WeakPolarHBondContact O-CB 3.48Å; L8-H12 PolarHBondContact O-CD2 2.99Å; L8-H12 PolarHBondContact O-N 2.9Å |
| 9 | L | 75.8 | Confident | 68.6 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.2 | -36 | 176.4 | -75.7 | 168.2 | 0 | 0 | 0 | 112.7 | P5 V6 S13 | P5-L9 WeakPolarHBondContact O-CB 3.05Å; P5-L9 WeakPolarHBondContact O-CD1 3.5Å; P5-L9 WeakPolarHBondContact O-CG 3.43Å; P5-L9 PolarHBondContact O-N 2.98Å; V6-L9 PolarHBondContact O-N 3.1Å; L9-S13 WeakPolarHBondContact O-CB 3.22Å; L9-S13 PolarHBondContact O-N 3.37Å; L9-S13 PolarHBondContact O-OG 3.11Å |
| 10 | L | 76.4 | Confident | 67.9 | Low | 81 Ų | 81 | 112 Ų | 112 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.1 | -41.8 | 173.6 | -72.6 | 168.9 | 0 | 0 | 0 | 112.2 | V6 V7 L8 S13 L14 | V6-L10 HydrophobicContact CG1-CD1 4.25Å; V6-L10 WeakPolarHBondContact O-CG 3.1Å; V6-L10 PolarHBondContact O-N 3.38Å; V7-L10 PolarHBondContact O-N 3.22Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.09Å; L10-S13 PolarHBondContact O-N 2.85Å; L10-S13 PolarHBondContact O-OG 3.49Å; L10-S13 VanDerWaalsContact O-OG 3.09Å; L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 VanDerWaalsContact O-CG 3.22Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.4Å |
| 11 | V | 81.7 | Confident | 67 | Low | 75 Ų | 75 | 111.2 Ų | 111.2 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.8 | -43.3 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | V7 L8 L14 V15 | V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 2.81Å; L8-V11 PolarHBondContact O-N 2.74Å; V11-L14 PolarHBondContact O-N 2.83Å; V11-V15 HydrophobicContact CG1-CG2 4.4Å; V11-V15 WeakPolarHBondContact O-CB 3.38Å; V11-V15 VanDerWaalsContact O-CG2 3.27Å; V11-V15 WeakPolarHBondContact O-CG2 3.2Å; V11-V15 PolarHBondContact O-N 3.23Å |
| 12 | H | 76.1 | Confident | 67 | Low | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -41.8 | 175.9 | -86.1 | -110.4 | 0 | 0 | 0 | 112.2 | L8 V15 V16 | L8-H12 WeakPolarHBondContact O-CB 3.48Å; L8-H12 PolarHBondContact O-CD2 2.99Å; L8-H12 PolarHBondContact O-N 2.9Å; H12-V15 PolarHBondContact O-N 2.91Å; H12-V16 WeakPolarHBondContact O-CB 3.09Å; H12-V16 VanDerWaalsContact O-CG2 3.27Å; H12-V16 WeakPolarHBondContact O-CG2 3.31Å; H12-V16 PolarHBondContact O-N 3.28Å |
| 13 | S | 75.3 | Confident | 66.2 | Low | 59 Ų | 59 | 98.6 Ų | 98.6 | 41% | 0.413 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68 | -36.7 | 177.7 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | L9 L10 S17 | L9-S13 WeakPolarHBondContact O-CB 3.22Å; L9-S13 PolarHBondContact O-N 3.37Å; L9-S13 PolarHBondContact O-OG 3.11Å; L10-S13 PolarHBondContact O-N 2.85Å; L10-S13 PolarHBondContact O-OG 3.49Å; L10-S13 VanDerWaalsContact O-OG 3.09Å; S13-S17 VanDerWaalsContact O-CB 3.26Å; S13-S17 WeakPolarHBondContact O-CB 3.02Å; S13-S17 PolarHBondContact O-N 3.39Å; S13-S17 PolarHBondContact O-OG 3.49Å |
| 14 | L | 74.3 | Confident | 65.4 | Low | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -46.7 | 170.9 | -72.7 | 168.9 | 0 | 0 | 0 | 111.7 | L10 V11 S17 R18 | L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 VanDerWaalsContact O-CG 3.22Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.4Å; V11-L14 PolarHBondContact O-N 2.83Å; L14-S17 PolarHBondContact O-N 2.9Å; L14-R18 VanDerWaalsContact O-CG 3.3Å; L14-R18 WeakPolarHBondContact O-CG 3.44Å; L14-R18 PolarHBondContact O-N 2.93Å |
| 15 | V | 75 | Confident | 64.5 | Low | 84 Ų | 84 | 96.1 Ų | 96.1 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -45.6 | 178.1 | 168 | 0 | 0 | 0 | 0 | 111.4 | V11 H12 S17 R18 L19 | V11-V15 HydrophobicContact CG1-CG2 4.4Å; V11-V15 WeakPolarHBondContact O-CB 3.38Å; V11-V15 VanDerWaalsContact O-CG2 3.27Å; V11-V15 WeakPolarHBondContact O-CG2 3.2Å; V11-V15 PolarHBondContact O-N 3.23Å; H12-V15 PolarHBondContact O-N 2.91Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 2.04Å; V15-R18 PolarHBondContact O-N 2.78Å; V15-L19 PolarHBondContact O-N 3.31Å |
| 16 | V | 69.1 | Low | 63.1 | Low | 94 Ų | 94 | 99.9 Ų | 99.9 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.3 | -39.8 | 176 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | H12 R18 L19 A20 | H12-V16 WeakPolarHBondContact O-CB 3.09Å; H12-V16 VanDerWaalsContact O-CG2 3.27Å; H12-V16 WeakPolarHBondContact O-CG2 3.31Å; H12-V16 PolarHBondContact O-N 3.28Å; V16-R18 PolarHBondContact O-N 2.75Å; V16-L19 PolarHBondContact O-N 2.73Å; V16-A20 WeakPolarHBondContact O-CB 3.14Å; V16-A20 PolarHBondContact O-N 3.48Å |
| 17 | S | 62.7 | Low | 62.1 | Low | 70 Ų | 70 | 105 Ų | 105 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.8 | -41.6 | 175.1 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | S13 L14 V15 A20 S21 | S13-S17 VanDerWaalsContact O-CB 3.26Å; S13-S17 WeakPolarHBondContact O-CB 3.02Å; S13-S17 PolarHBondContact O-N 3.39Å; S13-S17 PolarHBondContact O-OG 3.49Å; L14-S17 PolarHBondContact O-N 2.9Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 2.04Å; S17-A20 PolarHBondContact O-N 3.45Å; S17-S21 PolarHBondContact O-N 2.95Å; S17-S21 PolarHBondContact O-OG 2.86Å |
| 18 | R | 63.1 | Low | 60.2 | Low | 198 Ų | 198 | 110.1 Ų | 110.1 | 75% | 0.747 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.4 | -37.2 | 175 | -67.1 | -67.2 | -178.6 | -175.7 | 0.3 | 112.3 | L14 V15 V16 S21 G22 | L14-R18 VanDerWaalsContact O-CG 3.3Å; L14-R18 WeakPolarHBondContact O-CG 3.44Å; L14-R18 PolarHBondContact O-N 2.93Å; V15-R18 PolarHBondContact O-N 2.78Å; V16-R18 PolarHBondContact O-N 2.75Å; R18-S21 PolarHBondContact O-N 2.93Å; R18-G22 PolarHBondContact O-N 2.98Å |
| 19 | L | 54.1 | Low | 59 | Low | 130 Ų | 130 | 112.1 Ų | 112.1 | 68% | 0.681 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.7 | -43.2 | 174.2 | -125.5 | 71.7 | 0 | 0 | 0 | 111.8 | V15 V16 S21 G22 | V15-L19 PolarHBondContact O-N 3.31Å; V16-L19 PolarHBondContact O-N 2.73Å; L19-S21 PolarHBondContact O-N 3.44Å; L19-G22 WeakPolarHBondContact O-CA 3.02Å; L19-G22 PolarHBondContact O-N 3.31Å |
| 20 | A | 54.2 | Low | 57.2 | Low | 70 Ų | 70 | 109.2 Ų | 109.2 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.3 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V16 S17 G22 | V16-A20 WeakPolarHBondContact O-CB 3.14Å; V16-A20 PolarHBondContact O-N 3.48Å; S17-A20 PolarHBondContact O-N 3.45Å; A20-G22 PolarHBondContact O-N 3.03Å |
| 21 | S | 50.4 | Low | 55.4 | Low | 97 Ų | 97 | 112 Ų | 112 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -14.5 | 170.8 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | S17 R18 L19 | S17-S21 PolarHBondContact O-N 2.95Å; S17-S21 PolarHBondContact O-OG 2.86Å; R18-S21 PolarHBondContact O-N 2.93Å; L19-S21 PolarHBondContact O-N 3.44Å |
| 22 | G | 51.7 | Low | 53.5 | Low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -10.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R18 L19 A20 | R18-G22 PolarHBondContact O-N 2.98Å; L19-G22 WeakPolarHBondContact O-CA 3.02Å; L19-G22 PolarHBondContact O-N 3.31Å; A20-G22 PolarHBondContact O-N 3.03Å |
| 23 | A | 45.5 | Very low | 51.5 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -136.7 | 26.7 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 24 | A | 42.3 | Very low | 50.1 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | trans | -154.8 | 51.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D26 | A24-D26 PolarHBondContact O-N 2.79Š| ||
| 25 | V | 41.2 | Very low | 48.4 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 90% | 0.903 | 70% | 0.701 | S | S | * | * | trans | -88.1 | 59.4 | 154.8 | -170 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 26 | D | 37.3 | Very low | 47 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | -73.3 | 147.8 | 169.3 | -171.3 | 46.2 | 0 | 0 | 0 | 110.1 | A24 H28 | A24-D26 PolarHBondContact O-N 2.79Å; D26-H28 PolarHBondContact O-N 2.04Å | ||
| 27 | R | 49.8 | Very low | 45.8 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | trans | -82.7 | 83.4 | -162.4 | -172.5 | -170.2 | -175.1 | 92.3 | 1.2 | 110.5 | E29 | R27-E29 IonicContact CZ-OE2 2.73Å; R27-E29 IonicContact NE-OE2 3.52Å; R27-E29 PolarHBondContact NE-OE2 2.03Å; R27-E29 IonicContact NH2-OE2 2.77Å; R27-E29 PolarHBondContact NH2-OE2 3.11Å; R27-E29 PolarHBondContact O-N 2.71Å | ||
| 28 | H | 37.1 | Very low | 44.8 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | trans | -69.6 | 82.1 | 174.6 | -161 | -10.8 | 0 | 0 | 0 | 111.3 | D26 G30 | D26-H28 PolarHBondContact O-N 2.04Å; H28-G30 VanDerWaalsContact C-N 3.29Å; H28-G30 PolarHBondContact O-N 3.18Å | ||
| 29 | E | 47 | Very low | 43.6 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | trans | -78 | 79.1 | 178.5 | -160.6 | 153.3 | 124.2 | 0 | 0 | 109.3 | R27 D31 | R27-E29 IonicContact CZ-OE2 2.73Å; R27-E29 IonicContact NE-OE2 3.52Å; R27-E29 PolarHBondContact NE-OE2 2.03Å; R27-E29 IonicContact NH2-OE2 2.77Å; R27-E29 PolarHBondContact NH2-OE2 3.11Å; R27-E29 PolarHBondContact O-N 2.71Å; E29-D31 PolarHBondContact O-N 2.89Å | ||
| 30 | G | 38.1 | Very low | 42.8 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -71.9 | 91.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H28 | H28-G30 VanDerWaalsContact C-N 3.29Å; H28-G30 PolarHBondContact O-N 3.18Å | ||
| 31 | D | 38.8 | Very low | 42.4 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -69 | 151.5 | 165.4 | -178.3 | 35.2 | 0 | 0 | 0 | 111.3 | E29 | E29-D31 PolarHBondContact O-N 2.89Š| ||
| 32 | R | 40.1 | Very low | 41.9 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | 64.8 | 152 | -175.8 | -71.6 | 174.1 | 153.7 | 115.9 | -7.4 | 115.1 | ||||
| 33 | Q | 35.4 | Very low | 40.8 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 58% | 0.575 | 76% | 0.759 | S | S | * | * | cis | -141.1 | 140.2 | 7.9 | -156.7 | 141.8 | -102.9 | 0 | 0 | 112.2 | H35 | Q33-H35 PolarHBondContact NE2-NE2 3.07Å; Q33-H35 PolarHBondContact O-N 2.99Å; Q33-H35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | R | 45.6 | Very low | 40.1 | Very low | 241 Ų | 241 | 146.8 Ų | 146.8 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -72.1 | 100.6 | 172.8 | -69.3 | -176 | 179.4 | -170.4 | 0.1 | 110.8 | ||||
| 35 | H | 37.8 | Very low | 40.2 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -105.4 | 93.2 | 165.6 | -84.8 | -89.7 | 0 | 0 | 0 | 110.3 | Q33 S37 | Q33-H35 PolarHBondContact NE2-NE2 3.07Å; Q33-H35 PolarHBondContact O-N 2.99Å; Q33-H35 VanDerWaalsContact O-N 3.1Å; H35-S37 PolarHBondContact O-N 2.84Å | ||
| 36 | T | 46.1 | Very low | 39.9 | Very low | 135 Ų | 135 | 154 Ų | 154 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | -80.3 | 83 | 170.8 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 37 | S | 44.2 | Very low | 39.7 | Very low | 87 Ų | 87 | 153.9 Ų | 153.9 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | -85.4 | 108.2 | 169.7 | 45.7 | 0 | 0 | 0 | 0 | 110.5 | H35 F39 | H35-S37 PolarHBondContact O-N 2.84Å; S37-F39 PolarHBondContact O-N 2.98Å | ||
| 38 | V | 41.8 | Very low | 39.1 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -75 | 115.6 | 170.8 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | N40 | V38-N40 PolarHBondContact O-N 2.95Å; V38-N40 VanDerWaalsContact O-N 3.08Å | ||
| 39 | F | 37.4 | Very low | 38.9 | Very low | 191 Ų | 191 | 157.1 Ų | 157.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -71.9 | 98.5 | 171.2 | -79.3 | -91.3 | 0 | 0 | 0 | 110 | S37 | S37-F39 PolarHBondContact O-N 2.98Š| ||
| 40 | N | 37.4 | Very low | 38.3 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -86.5 | 112.5 | 160.3 | -76.2 | -52.9 | 0 | 0 | 0 | 108.4 | V38 L42 | V38-N40 PolarHBondContact O-N 2.95Å; V38-N40 VanDerWaalsContact O-N 3.08Å; N40-L42 PolarHBondContact O-N 3.27Å | ||
| 41 | L | 45.5 | Very low | 38.2 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -85.5 | 97.7 | 175.8 | -178.5 | 81.5 | 0 | 0 | 0 | 109.4 | ||||
| 42 | L | 38.9 | Very low | 38 | Very low | 153 Ų | 153 | 162.4 Ų | 162.4 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -166.7 | 141.5 | 147.7 | -134.1 | 75.8 | 0 | 0 | 0 | 114.2 | N40 | N40-L42 PolarHBondContact O-N 3.27Š| ||
| 43 | D | 29.9 | Very low | 38 | Very low | 137 Ų | 137 | 161.4 Ų | 161.4 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 104 | 150.3 | 133.6 | -135.6 | -7.5 | 0 | 0 | 0 | 121.9 | ||||
| 44 | T | 31.1 | Very low | 37.9 | Very low | 116 Ų | 116 | 164.9 Ų | 164.9 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | trans | 70.5 | 86.6 | 169.5 | 61 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 45 | T | 43.9 | Very low | 37.7 | Very low | 145 Ų | 145 | 163.6 Ų | 163.6 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -51.5 | 132.6 | 142.6 | 38.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 46 | R | 35 | Very low | 37.3 | Very low | 241 Ų | 241 | 162.3 Ų | 162.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -159.4 | 144.9 | 151.1 | -143.6 | 175.9 | 179.2 | 100.8 | 2.4 | 112.8 | ||||
| 47 | D | 33.3 | Very low | 36.5 | Very low | 142 Ų | 142 | 159.6 Ų | 159.6 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -61.3 | 150.3 | 179.8 | -56.3 | -109 | 0 | 0 | 0 | 114.6 | ||||
| 48 | R | 36 | Very low | 36 | Very low | 222 Ų | 222 | 159.8 Ų | 159.8 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | -138.5 | 136.3 | 124.6 | -123.8 | -168.5 | 76.1 | 132.8 | 2.4 | 111.6 | |||||
| 49 | R | 32.6 | Very low | 35.5 | Very low | 219 Ų | 219 | 160.2 Ų | 160.2 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -109.9 | -176.4 | 178.9 | -154.9 | -177.7 | -174.9 | 106.1 | -3.2 | 109.1 | ||||
| 50 | A | 35.5 | Very low | 35 | Very low | 76 Ų | 76 | 157.6 Ų | 157.6 | 63% | 0.628 | 82% | 0.817 | S | S | * | * | trans | 72.6 | 146.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 51 | E | 36.4 | Very low | 34.8 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | cis | -110.5 | -178 | 20.2 | -72.4 | 154.3 | -177.2 | 0 | 0 | 114.6 | ||||
| 52 | E | 34.2 | Very low | 34.5 | Very low | 196 Ų | 196 | 156.1 Ų | 156.1 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -117.6 | -178.7 | -154.7 | -62.1 | -176 | 126.9 | 0 | 0 | 115.4 | ||||
| 53 | E | 39 | Very low | 34 | Very low | 177 Ų | 177 | 156 Ų | 156 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -76.4 | 162.3 | -178.5 | -56.8 | 178.1 | 97.5 | 0 | 0 | 114.7 | ||||
| 54 | E | 34.8 | Very low | 34.1 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -139.5 | 156.7 | 137.3 | -147.8 | -171.9 | 149.9 | 0 | 0 | 111.1 | ||||
| 55 | R | 41.2 | Very low | 34.4 | Very low | 215 Ų | 215 | 154.5 Ų | 154.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -149.1 | 120.5 | -159.3 | 172.7 | -172.4 | 171.3 | -174.4 | -1.1 | 114 | ||||
| 56 | T | 30.1 | Very low | 33.9 | Very low | 146 Ų | 146 | 154 Ų | 154 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -159.4 | 157 | 161.9 | 31.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 57 | G | 29 | Very low | 33.8 | Very low | 78 Ų | 78 | 146 Ų | 146 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -161.5 | -178.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 58 | A | 32.2 | Very low | 33.8 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -122.4 | 156.3 | -156.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 59 | T | 31 | Very low | 34.3 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 64.8 | 118.7 | 147.3 | 45.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 60 | T | 28.4 | Very low | 34.7 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | -169.1 | 136.4 | 128.6 | 36.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 61 | V | 33.3 | Very low | 35.4 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | cis | 75.1 | 119.7 | 38.5 | -179.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 62 | Q | 37.7 | Very low | 35.6 | Very low | 162 Ų | 162 | 149 Ų | 149 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | cis | -156.7 | -165.4 | -4.4 | -118.2 | 179.7 | 18.3 | 0 | 0 | 107.4 | ||||
| 63 | H | 29.6 | Very low | 36.4 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | cis | -161.1 | 154.5 | 11.2 | -159 | 93.4 | 0 | 0 | 0 | 111 | ||||
| 64 | G | 32 | Very low | 36.5 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | 73.5 | 160.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 65 | Q | 37.8 | Very low | 36.9 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -162.2 | 163 | -16.2 | -143.3 | 178.5 | -76.4 | 0 | 0 | 111.4 | ||||
| 66 | D | 32 | Very low | 36.7 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 52.2 | 102.1 | 160.1 | -56.9 | -28.9 | 0 | 0 | 0 | 121.6 | ||||
| 67 | G | 33.1 | Very low | 37.6 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | 89.4 | 104.8 | 84.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 68 | K | 34.6 | Very low | 38.3 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | -165.2 | 139.8 | 117.7 | -109 | 176.7 | 179.1 | -166.8 | 0 | 112.4 | |||||
| 69 | E | 45.3 | Very low | 39.1 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -79.1 | 138.2 | 158.1 | -60.4 | 148 | 174.3 | 0 | 0 | 107.8 | ||||
| 70 | E | 41.8 | Very low | 39.8 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -143.3 | 137.7 | 131.5 | -66.7 | -163.3 | 173.9 | 0 | 0 | 106.4 | ||||
| 71 | E | 49.4 | Very low | 40.8 | Very low | 192 Ų | 192 | 147 Ų | 147 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -87.9 | 132.4 | 171.7 | -65.7 | 174.6 | 120.5 | 0 | 0 | 108.5 | ||||
| 72 | D | 41 | Very low | 41.3 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -134.9 | 111.9 | 158.6 | -101 | -40.8 | 0 | 0 | 0 | 107.4 | ||||
| 73 | D | 51.2 | Low | 41.8 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -101.5 | 79.3 | 177.5 | 177.5 | -137.4 | 0 | 0 | 0 | 108.8 | G75 | D73-G75 VanDerWaalsContact C-N 3.26Å; D73-G75 PolarHBondContact O-N 3.5Å; D73-G75 VanDerWaalsContact O-N 3.09Å | ||
| 74 | D | 40.7 | Very low | 42.9 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 55% | 0.551 | 76% | 0.763 | S | S | * | * | trans | -85.4 | 65.5 | 177.1 | 65 | -22.9 | 0 | 0 | 0 | 111.7 | Y76 | D74-Y76 HydrophobicContact CB-CE2 3.93Å; D74-Y76 VanDerWaalsContact CG-CE2 3.46Å; D74-Y76 WeakPolarHBondContact O-CD2 3.4Å; D74-Y76 WeakPolarHBondContact O-CE2 3.02Å; D74-Y76 PolarHBondContact O-N 2.99Å; D74-Y76 WeakPolarHBondContact OD2-CE2 3.47Å; D74-Y76 PolarHBondContact OD2-OH 3.04Å | ||
| 75 | G | 43.2 | Very low | 43.6 | Very low | 54 Ų | 54 | 156.1 Ų | 156.1 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | trans | -65.8 | 83.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D73 Y77 | D73-G75 VanDerWaalsContact C-N 3.26Å; D73-G75 PolarHBondContact O-N 3.5Å; D73-G75 VanDerWaalsContact O-N 3.09Å; G75-Y77 PolarHBondContact O-N 3.38Å | ||
| 76 | Y | 36.6 | Very low | 44.3 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -63.8 | 84.5 | 176.7 | -60.9 | -82.9 | 0 | 0 | 0 | 113 | D74 Y78 | D74-Y76 HydrophobicContact CB-CE2 3.93Å; D74-Y76 VanDerWaalsContact CG-CE2 3.46Å; D74-Y76 WeakPolarHBondContact O-CD2 3.4Å; D74-Y76 WeakPolarHBondContact O-CE2 3.02Å; D74-Y76 PolarHBondContact O-N 2.99Å; D74-Y76 WeakPolarHBondContact OD2-CE2 3.47Å; D74-Y76 PolarHBondContact OD2-OH 3.04Å; Y76-Y78 PolarHBondContact O-N 2.75Å | ||
| 77 | Y | 50.1 | Low | 44.9 | Very low | 213 Ų | 213 | 149 Ų | 149 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | -67.9 | 113.4 | 160.9 | -91.4 | -99 | 0 | 0 | 0 | 109.6 | G75 D79 | G75-Y77 PolarHBondContact O-N 3.38Å; Y77-D79 PolarHBondContact O-N 3.33Å | ||
| 78 | Y | 44.1 | Very low | 45.6 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -80.1 | 94.6 | 163.9 | -81.2 | -102.7 | 0 | 0 | 0 | 108.3 | Y76 D80 | Y76-Y78 PolarHBondContact O-N 2.75Å; Y78-D80 VanDerWaalsContact C-N 3.26Å; Y78-D80 PolarHBondContact O-N 2.79Å; Y78-D80 VanDerWaalsContact O-N 3.11Å | ||
| 79 | D | 48.3 | Very low | 46.2 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -78.8 | 80.7 | 165.7 | -119.9 | -87.1 | 0 | 0 | 0 | 108.4 | Y77 E81 | Y77-D79 PolarHBondContact O-N 3.33Å; D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 2.82Å | ||
| 80 | D | 46.8 | Very low | 46.4 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 57% | 0.572 | 74% | 0.74 | S | S | * | * | trans | -71 | 86.7 | 165.2 | -79.3 | -64.3 | 0 | 0 | 0 | 108.2 | Y78 F82 | Y78-D80 VanDerWaalsContact C-N 3.26Å; Y78-D80 PolarHBondContact O-N 2.79Å; Y78-D80 VanDerWaalsContact O-N 3.11Å; D80-F82 HydrophobicContact CB-CD2 3.95Å; D80-F82 HydrophobicContact CB-CE2 3.52Å; D80-F82 HydrophobicContact CB-CZ 4.1Å; D80-F82 WeakPolarHBondContact O-CD2 3.27Å; D80-F82 PolarHBondContact O-N 3.01Å | ||
| 81 | E | 49.1 | Very low | 46.8 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | -62.1 | 86.5 | 164.3 | -77.1 | -167.2 | 121.7 | 0 | 0 | 109 | D79 D83 | D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 2.82Å; E81-D83 PolarHBondContact O-N 3.11Å | ||
| 82 | F | 43.5 | Very low | 47.3 | Very low | 179 Ų | 179 | 146 Ų | 146 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -67.6 | 96.4 | 171.5 | -75.3 | -81.9 | 0 | 0 | 0 | 109.6 | D80 E84 | D80-F82 HydrophobicContact CB-CD2 3.95Å; D80-F82 HydrophobicContact CB-CE2 3.52Å; D80-F82 HydrophobicContact CB-CZ 4.1Å; D80-F82 WeakPolarHBondContact O-CD2 3.27Å; D80-F82 PolarHBondContact O-N 3.01Å; F82-E84 PolarHBondContact O-N 2.95Å | ||
| 83 | D | 47.1 | Very low | 48 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | -42.9 | 112.3 | 164.7 | -95.1 | -48.4 | 0 | 0 | 0 | 109.9 | E81 M85 | E81-D83 PolarHBondContact O-N 3.11Å; D83-M85 PolarHBondContact O-N 2.98Å | ||
| 84 | E | 52.5 | Low | 48.3 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -76.7 | 62.5 | 177.9 | -162.1 | 178.5 | 163.8 | 0 | 0 | 110.4 | F82 S86 | F82-E84 PolarHBondContact O-N 2.95Å; E84-S86 PolarHBondContact O-N 3.03Å | ||
| 85 | M | 46.6 | Very low | 49 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | trans | -63.7 | 99.6 | 171 | 179.4 | 67.7 | 78.8 | 0 | 0 | 108.2 | D83 G87 | D83-M85 PolarHBondContact O-N 2.98Å; M85-G87 PolarHBondContact O-N 2.73Å | ||
| 86 | S | 54.3 | Low | 50 | Low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -70.1 | 75.6 | -179.5 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | E84 D88 | E84-S86 PolarHBondContact O-N 3.03Å; S86-D88 PolarHBondContact O-N 3.1Å | ||
| 87 | G | 43.8 | Very low | 50.8 | Low | 32 Ų | 32 | 147.1 Ų | 147.1 | 33% | 0.33 | 74% | 0.743 | S | S | . | * | trans | -64 | 97.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M85 Y89 | M85-G87 PolarHBondContact O-N 2.73Å; G87-Y89 VanDerWaalsContact O-CD2 3.22Å; G87-Y89 WeakPolarHBondContact O-CD2 3.49Å; G87-Y89 WeakPolarHBondContact O-CE2 3.29Å; G87-Y89 PolarHBondContact O-N 3.27Å | ||
| 88 | D | 47.5 | Very low | 50.9 | Low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -70.9 | 72.5 | 168.1 | -173.7 | 23 | 0 | 0 | 0 | 110.1 | S86 D90 | S86-D88 PolarHBondContact O-N 3.1Å; D88-D90 VanDerWaalsContact C-N 3.3Å; D88-D90 PolarHBondContact O-N 3.29Å | ||
| 89 | Y | 47.7 | Very low | 51.4 | Low | 188 Ų | 188 | 141.8 Ų | 141.8 | 74% | 0.737 | 75% | 0.748 | S | S | * | * | trans | -81.1 | 84 | 164.5 | -2.2 | -90 | 0 | 0 | 0 | 108.1 | G87 M91 | G87-Y89 VanDerWaalsContact O-CD2 3.22Å; G87-Y89 WeakPolarHBondContact O-CD2 3.49Å; G87-Y89 WeakPolarHBondContact O-CE2 3.29Å; G87-Y89 PolarHBondContact O-N 3.27Å; Y89-M91 PolarHBondContact O-N 2.9Å | ||
| 90 | D | 49.8 | Very low | 52 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 84 | 162.6 | -168 | -114.1 | 0 | 0 | 0 | 108.4 | D88 D92 | D88-D90 VanDerWaalsContact C-N 3.3Å; D88-D90 PolarHBondContact O-N 3.29Å; D90-D92 VanDerWaalsContact C-N 3.34Å; D90-D92 PolarHBondContact O-N 3.49Å | ||
| 91 | M | 50.5 | Low | 52.5 | Low | 157 Ų | 157 | 144.5 Ų | 144.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -66.2 | 100.1 | 166.6 | -85.3 | -76 | 173.7 | 0 | 0 | 106.3 | Y89 V93 | Y89-M91 PolarHBondContact O-N 2.9Å; M91-V93 HydrophobicContact CB-CG2 4.46Å; M91-V93 WeakPolarHBondContact O-CG2 3.3Å; M91-V93 PolarHBondContact O-N 3.25Å | ||
| 92 | D | 59.2 | Low | 52.4 | Low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -66.5 | 69.8 | -179.7 | -158.2 | -11.4 | 0 | 0 | 0 | 110.4 | D90 P94 | D90-D92 VanDerWaalsContact C-N 3.34Å; D90-D92 PolarHBondContact O-N 3.49Å; D92-P94 WeakPolarHBondContact O-CD 3.31Å | ||
| 93 | V | 55.9 | Low | 52.6 | Low | 103 Ų | 103 | 142.1 Ų | 142.1 | 62% | 0.624 | 76% | 0.759 | S | S | * | * | trans | -66.8 | 121.3 | -178.8 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | M91 R95 | M91-V93 HydrophobicContact CB-CG2 4.46Å; M91-V93 WeakPolarHBondContact O-CG2 3.3Å; M91-V93 PolarHBondContact O-N 3.25Å; V93-R95 PolarHBondContact O-N 2.88Å | ||
| 94 | P | 57.2 | Low | 52.6 | Low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | -56.7 | 108.3 | 177.9 | -26.1 | 35.5 | 0 | 0 | 0 | 110.1 | D92 V96 | D92-P94 WeakPolarHBondContact O-CD 3.31Å; P94-V96 PolarHBondContact O-N 2.94Å | ||
| 95 | R | 55.9 | Low | 52.3 | Low | 247 Ų | 247 | 138 Ų | 138 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | trans | -72.4 | 74.4 | -177.2 | -66.3 | -169.6 | -176.2 | -164.9 | 2.8 | 110.7 | V93 A97 | V93-R95 PolarHBondContact O-N 2.88Å; R95-A97 PolarHBondContact O-N 2.84Å | ||
| 96 | V | 63.3 | Low | 52.3 | Low | 129 Ų | 129 | 135.7 Ų | 135.7 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | -64.9 | 106.2 | 172.8 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | P94 M98 | P94-V96 PolarHBondContact O-N 2.94Å; V96-M98 PolarHBondContact O-N 3.48Å | ||
| 97 | A | 54.1 | Low | 52 | Low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -58 | 129.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R95 S99 | R95-A97 PolarHBondContact O-N 2.84Å; A97-S99 PolarHBondContact O-N 3.2Å | ||
| 98 | M | 50.9 | Low | 51.8 | Low | 184 Ų | 184 | 140.9 Ų | 140.9 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -56.7 | 109.6 | 173.5 | -76.6 | -70.9 | 179.5 | 0 | 0 | 109.1 | V96 S100 | V96-M98 PolarHBondContact O-N 3.48Å; M98-S100 PolarHBondContact O-N 3.18Å | ||
| 99 | S | 56.3 | Low | 51.6 | Low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 100 | 175.4 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | A97 K101 | A97-S99 PolarHBondContact O-N 3.2Å; S99-K101 PolarHBondContact O-N 3.49Å | ||
| 100 | S | 60.8 | Low | 51.3 | Low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -60.8 | 129.7 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 108.6 | M98 P102 | M98-S100 PolarHBondContact O-N 3.18Å; S100-P102 WeakPolarHBondContact O-CD 3.36Å | ||
| 101 | K | 57.3 | Low | 50.8 | Low | 195 Ų | 195 | 137.9 Ų | 137.9 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -48.1 | 126 | -177.3 | -75.7 | 175 | 176.9 | 171.2 | 0 | 109.7 | S99 K103 | S99-K101 PolarHBondContact O-N 3.49Å; K101-K103 PolarHBondContact O-N 3Å | ||
| 102 | P | 45.5 | Very low | 50.5 | Low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -55.1 | 113.7 | 168.6 | -24.4 | 34.1 | 0 | 0 | 0 | 108.8 | S100 | S100-P102 WeakPolarHBondContact O-CD 3.36Š| ||
| 103 | K | 47.8 | Very low | 49.6 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | -57.8 | 138.5 | 161.8 | -86.8 | 178 | 171.6 | 175 | 0 | 107.4 | K101 P105 | K101-K103 PolarHBondContact O-N 3Å; K103-P105 VanDerWaalsContact O-CD 3.27Å; K103-P105 WeakPolarHBondContact O-CD 3.33Å; K103-P105 VanDerWaalsContact O-N 3.07Å | ||
| 104 | D | 48.4 | Very low | 48.8 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -47.2 | 113.2 | -170.8 | -64.3 | -92.8 | 0 | 0 | 0 | 112.4 | S106 | D104-S106 PolarHBondContact O-N 3.29Š| ||
| 105 | P | 45.2 | Very low | 47.8 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -79.6 | 62.5 | 176.5 | 33.2 | -34.4 | 0 | 0 | 0 | 109.6 | K103 S107 | K103-P105 VanDerWaalsContact O-CD 3.27Å; K103-P105 WeakPolarHBondContact O-CD 3.33Å; K103-P105 VanDerWaalsContact O-N 3.07Å; P105-S107 PolarHBondContact O-N 3.41Å | ||
| 106 | S | 47.6 | Very low | 47.3 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 40.5 | 174.5 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | D104 | D104-S106 PolarHBondContact O-N 3.29Š| ||
| 107 | S | 48.3 | Very low | 46.1 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -160.5 | 111.3 | 171.4 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | P105 | P105-S107 PolarHBondContact O-N 3.41Š| ||
| 108 | L | 38.4 | Very low | 45.7 | Very low | 152 Ų | 152 | 141 Ų | 141 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 8.3 | 146.5 | 141.9 | -72.1 | 174.5 | 0 | 0 | 0 | 119.5 | ||||
| 109 | P | 43.6 | Very low | 45.3 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | -133.2 | 173.5 | 49.8 | 33.9 | -14.9 | 0 | 0 | 0 | 118 | ||||
| 110 | E | 41.1 | Very low | 44.9 | Very low | 148 Ų | 148 | 150.1 Ų | 150.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -73.5 | 142.2 | 174.8 | -59.6 | 166.1 | 89.9 | 0 | 0 | 112.2 | ||||
| 111 | P | 38.7 | Very low | 44 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -87.9 | 100.6 | 148.6 | 32.4 | -26.1 | 0 | 0 | 0 | 109 | N113 | P111-N113 PolarHBondContact O-N 2.93Š| ||
| 112 | Q | 44.7 | Very low | 43.4 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -66 | 129.6 | 158.6 | -66.3 | 179.4 | 4.7 | 0 | 0 | 108.2 | ||||
| 113 | N | 39.9 | Very low | 43.6 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -168.1 | 152.3 | 136.7 | -106.2 | -69.6 | 0 | 0 | 0 | 111.1 | P111 | P111-N113 PolarHBondContact O-N 2.93Š| ||
| 114 | T | 40.6 | Very low | 43.7 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -16.9 | 153.6 | 162.1 | 45.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 115 | E | 35 | Very low | 44 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | cis | -133 | 138.9 | 32.7 | -56.6 | 176.8 | 136.1 | 0 | 0 | 114.6 | ||||
| 116 | E | 46.1 | Very low | 44.5 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -85.6 | 115.3 | 163.7 | -72.7 | -151.4 | 140.9 | 0 | 0 | 111.1 | Q118 | E116-Q118 PolarHBondContact OE2-NE2 2.81Š| ||
| 117 | T | 37.3 | Very low | 44.6 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | trans | -118.5 | 81.9 | 163.4 | 43.5 | 0 | 0 | 0 | 0 | 110.9 | R119 | T117-R119 PolarHBondContact O-N 2.88Š| ||
| 118 | Q | 45.9 | Very low | 45 | Very low | 155 Ų | 155 | 158.7 Ų | 158.7 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -64.3 | 96.8 | 177.3 | -65.6 | -169.8 | 22.6 | 0 | 0 | 112 | E116 | E116-Q118 PolarHBondContact OE2-NE2 2.81Š| ||
| 119 | R | 43.4 | Very low | 45.6 | Very low | 237 Ų | 237 | 154.4 Ų | 154.4 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -101 | 105 | 164.4 | -72 | -171.4 | 172.5 | -170.7 | -1.5 | 110.1 | T117 G121 | T117-R119 PolarHBondContact O-N 2.88Å; R119-G121 PolarHBondContact O-N 2.76Å | ||
| 120 | R | 48.2 | Very low | 46.2 | Very low | 252 Ų | 252 | 158.8 Ų | 158.8 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | trans | -60.7 | 92.4 | 173.9 | -80.5 | -179.3 | 165.4 | -173.2 | -4 | 111 | ||||
| 121 | G | 40.4 | Very low | 46.8 | Very low | 73 Ų | 73 | 155.1 Ų | 155.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 124.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R119 | R119-G121 PolarHBondContact O-N 2.76Š|
| 122 | N | 45.6 | Very low | 47.8 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 155.5 | -172.8 | -156 | 1.4 | 0 | 0 | 0 | 113.2 | ||
| 123 | G | 49.2 | Very low | 48.7 | Very low | 60 Ų | 60 | 161.4 Ų | 161.4 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66 | 158.7 | -153.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 124 | R | 49.3 | Very low | 50.1 | Low | 237 Ų | 237 | 164.6 Ų | 164.6 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -162.2 | 115.3 | 142.3 | -109 | 156.2 | 177 | 179.9 | -1.5 | 111 | K126 | R124-K126 VanDerWaalsContact C-N 3.26Å; R124-K126 PolarHBondContact O-N 3.31Å | ||
| 125 | K | 56.3 | Low | 51.7 | Low | 223 Ų | 223 | 163.1 Ų | 163.1 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 75.8 | 169.8 | -71.8 | 178 | 177.3 | 174.1 | 0 | 110.3 | ||||
| 126 | K | 55.5 | Low | 54 | Low | 202 Ų | 202 | 156.7 Ų | 156.7 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -74.1 | 134 | 165.9 | -96.8 | -174.3 | 172.3 | -178.2 | 0 | 109.2 | R124 | R124-K126 VanDerWaalsContact C-N 3.26Å; R124-K126 PolarHBondContact O-N 3.31Å | ||
| 127 | G | 49.7 | Very low | 55.8 | Low | 73 Ų | 73 | 149.2 Ų | 149.2 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -68.8 | 162.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 116 | G129 | G127-G129 PolarHBondContact O-N 2.89Š| ||
| 128 | K | 56.1 | Low | 57.9 | Low | 216 Ų | 216 | 149.5 Ų | 149.5 | 94% | 0.939 | 74% | 0.738 | S | S | * | * | trans | -67.5 | 71.7 | 167.7 | -75.4 | -178.9 | 173.8 | 176.9 | 0 | 110.9 | ||||
| 129 | G | 51.9 | Low | 59.5 | Low | 61 Ų | 61 | 151.6 Ų | 151.6 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | -56.8 | 147.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G127 G131 | G127-G129 PolarHBondContact O-N 2.89Å; G129-G131 PolarHBondContact O-N 3.33Å | ||
| 130 | K | 54.5 | Low | 61.3 | Low | 216 Ų | 216 | 147.7 Ų | 147.7 | 94% | 0.939 | 74% | 0.735 | S | S | * | * | trans | -68 | 80 | 178.4 | -68.4 | -179 | -179.7 | 177.5 | 0 | 110 | R132 | K130-R132 PolarHBondContact O-N 3Š| ||
| 131 | G | 53.7 | Low | 62.9 | Low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -60.8 | 104.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111 | G129 K133 | G129-G131 PolarHBondContact O-N 3.33Å; G131-K133 PolarHBondContact O-N 2.7Å; G131-K133 VanDerWaalsContact O-N 3.1Å | ||
| 132 | R | 59.9 | Low | 64.8 | Low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | trans | -51 | 119.2 | 170.8 | -64.8 | -177.3 | 177.2 | -166.1 | -1.1 | 107.4 | K130 R134 | K130-R132 PolarHBondContact O-N 3Å; R132-R134 PolarHBondContact O-N 2.86Å | ||
| 133 | K | 63.6 | Low | 66.6 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | trans | -46.6 | 108.8 | -176.6 | -83.1 | -175.3 | 173.4 | 179.9 | 0 | 109.4 | G131 N135 | G131-K133 PolarHBondContact O-N 2.7Å; G131-K133 VanDerWaalsContact O-N 3.1Å; K133-N135 PolarHBondContact O-N 3.17Å | ||
| 134 | R | 69.7 | Low | 68.4 | Low | 218 Ų | 218 | 138 Ų | 138 | 82% | 0.823 | 66% | 0.659 | S | S | * | * | trans | -62.6 | 128 | -173.6 | -163.7 | 171.5 | -174.3 | 164.1 | 0.4 | 108.5 | R132 | R132-R134 PolarHBondContact O-N 2.86Š| ||
| 135 | N | 75.4 | Confident | 70.4 | Confident | 86 Ų | 86 | 127.4 Ų | 127.4 | 46% | 0.46 | 62% | 0.621 | S | S | . | * | trans | -58.4 | 128.9 | -169.1 | -69.1 | -18.6 | 0 | 0 | 0 | 111.3 | K133 C137 L138 | K133-N135 PolarHBondContact O-N 3.17Å; N135-C137 PolarHBondContact O-N 3.37Å; N135-C137 VanDerWaalsContact O-N 3.11Å; N135-L138 PolarHBondContact O-N 2.67Å | ||
| 136 | P | 83.5 | Confident | 72 | Confident | 40 Ų | 40 | 120.8 Ų | 120.8 | 26% | 0.26 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -56.1 | -29 | -177 | -31.1 | 38.2 | 0 | 0 | 0 | 115.1 | L138 K139 K140 Y141 Y152 | P136-L138 PolarHBondContact O-N 3.32Å; P136-K139 PolarHBondContact O-N 2.91Å; P136-K139 VanDerWaalsContact O-N 3.09Å; P136-K140 PolarHBondContact O-N 2.86Å; P136-Y141 HydrophobicContact CB-CD2 4.06Å; P136-Y141 HydrophobicContact CB-CE2 4.19Å; P136-Y141 PolarHBondContact O-N 3.46Å; P136-Y152 HydrophobicContact CB-CD2 3.92Å; P136-Y152 HydrophobicContact CB-CE2 4.15Å; P136-Y152 HydrophobicContact CB-CG 4.11Å; P136-Y152 HydrophobicContact CG-CD1 3.74Å; P136-Y152 HydrophobicContact CG-CD2 4Å; P136-Y152 HydrophobicContact CG-CE1 3.81Å; P136-Y152 HydrophobicContact CG-CE2 4.09Å; P136-Y152 HydrophobicContact CG-CG 3.83Å |
| 137 | C | 83.8 | Confident | 73.7 | Confident | 10 Ų | 10 | 114.6 Ų | 114.6 | 7% | 0.068 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -48.6 | -40.6 | 169.2 | -71.1 | 0 | 0 | 0 | 0 | 113.1 | N135 K139 Y141 K142 C150 | N135-C137 PolarHBondContact O-N 3.37Å; N135-C137 VanDerWaalsContact O-N 3.11Å; C137-K139 PolarHBondContact O-N 2.98Å; C137-Y141 CarbonylContact O-C 3.32Å; C137-Y141 VanDerWaalsContact O-C 3.32Å; C137-K142 WeakPolarHBondContact O-CA 3.31Å; C137-K142 PolarHBondContact O-N 3.36Å; C137-C150 HydrophobicContact CB-CB 3.63Å; C137-C150 WeakPolarHBondContact CB-SG 3.35Å; C137-C150 WeakPolarHBondContact SG-CB 3.35Å; C137-C150 PolarHBondContact SG-O 3.14Å; C137-C150 CovalentContact SG-SG 2.04Å; C137-C150 PolarHBondContact SG-SG 2.74Å |
| 138 | L | 79.9 | Confident | 75.6 | Confident | 121 Ų | 121 | 111.9 Ų | 111.9 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -79.9 | 4.1 | -176.8 | -59.1 | 176.9 | 0 | 0 | 0 | 114.4 | N135 P136 | N135-L138 PolarHBondContact O-N 2.67Å; P136-L138 PolarHBondContact O-N 3.32Å |
| 139 | K | 80.4 | Confident | 77.2 | Confident | 199 Ų | 199 | 105.7 Ų | 105.7 | 87% | 0.865 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.6 | -41.8 | 178 | -164 | -175.2 | 179.1 | -169.1 | 0 | 114.9 | P136 C137 | P136-K139 PolarHBondContact O-N 2.91Å; P136-K139 VanDerWaalsContact O-N 3.09Å; C137-K139 PolarHBondContact O-N 2.98Å |
| 140 | K | 80.6 | Confident | 79 | Confident | 155 Ų | 155 | 104.6 Ų | 104.6 | 67% | 0.674 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -29.1 | -176.6 | -175.8 | 175.2 | 175.8 | -169.4 | 0 | 113.5 | P136 | P136-K140 PolarHBondContact O-N 2.86Š|
| 141 | Y | 81.9 | Confident | 80.7 | Confident | 56 Ų | 56 | 99.9 Ų | 99.9 | 22% | 0.22 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -123.7 | 32.2 | -172.4 | -52.5 | -78.2 | 0 | 0 | 0 | 112.5 | P136 C137 D143 L144 Y152 P159 | P136-Y141 HydrophobicContact CB-CD2 4.06Å; P136-Y141 HydrophobicContact CB-CE2 4.19Å; P136-Y141 PolarHBondContact O-N 3.46Å; C137-Y141 CarbonylContact O-C 3.32Å; C137-Y141 VanDerWaalsContact O-C 3.32Å; Y141-D143 PolarHBondContact O-N 3.44Å; Y141-L144 HydrophobicContact CD1-CD2 4.27Å; Y141-L144 WeakPolarHBondContact O-CB 3.5Å; Y141-L144 PolarHBondContact O-N 2.97Å; Y141-Y152 HydrophobicContact CE2-CE2 4.45Å; Y141-P159 HydrophobicContact CD1-CB 4.32Å; Y141-P159 HydrophobicContact CD1-CG 3.81Å; Y141-P159 HydrophobicContact CD2-CB 4.26Å; Y141-P159 HydrophobicContact CD2-CG 4.35Å; Y141-P159 HydrophobicContact CE1-CG 3.93Å; Y141-P159 HydrophobicContact CE2-CG 4.48Å; Y141-P159 HydrophobicContact CG-CB 4.03Å; Y141-P159 HydrophobicContact CG-CG 4.02Å |
| 142 | K | 80.7 | Confident | 82.4 | Confident | 142 Ų | 142 | 99.5 Ų | 99.5 | 62% | 0.617 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -45.9 | -175.1 | 175 | -176.2 | 163.6 | -84.2 | 0 | 111.1 | C137 | C137-K142 WeakPolarHBondContact O-CA 3.31Å; C137-K142 PolarHBondContact O-N 3.36Å |
| 143 | D | 84.2 | Confident | 83.7 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 21.4 | -171.9 | -39.5 | -78.3 | 0 | 0 | 0 | 111.1 | Y141 R171 | Y141-D143 PolarHBondContact O-N 3.44Å; D143-R171 PolarHBondContact O-NH2 3.29Å |
| 144 | L | 86.7 | Confident | 84.7 | Confident | 48 Ų | 48 | 89.4 Ų | 89.4 | 25% | 0.251 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -74.3 | -47.5 | 176.3 | -176.5 | 69.9 | 0 | 0 | 0 | 111.2 | Y141 P159 R171 | Y141-L144 HydrophobicContact CD1-CD2 4.27Å; Y141-L144 WeakPolarHBondContact O-CB 3.5Å; Y141-L144 PolarHBondContact O-N 2.97Å; L144-P159 HydrophobicContact CD2-CB 3.6Å; L144-P159 HydrophobicContact CD2-CG 3.47Å; L144-P159 VanDerWaalsContact CD2-CG 3.47Å; L144-R171 HydrophobicContact CD1-CG 4.25Å; L144-R171 WeakPolarHBondContact O-CB 3.43Å; L144-R171 WeakPolarHBondContact O-CG 3.27Å; L144-R171 PolarHBondContact O-NE 2.85Å |
| 145 | C | 91.1 | Very high | 85.4 | Confident | 15 Ų | 15 | 87.3 Ų | 87.3 | 10% | 0.101 | 42% | 0.424 | C | S | . | . | trans | -90.6 | 125.3 | 178 | -44.9 | 0 | 0 | 0 | 0 | 109.1 | C150 C161 | C145-C150 VanDerWaalsContact SG-CA 3.54Å; C145-C161 WeakPolarHBondContact CA-SG 3.27Å; C145-C161 HydrophobicContact CB-CB 3.77Å; C145-C161 WeakPolarHBondContact CB-SG 3.41Å; C145-C161 WeakPolarHBondContact SG-CA 3.32Å; C145-C161 WeakPolarHBondContact SG-CB 3.29Å; C145-C161 CovalentContact SG-SG 2.03Å; C145-C161 PolarHBondContact SG-SG 3.5Å | ||
| 146 | I | 89.6 | Confident | 85.8 | Confident | 84 Ų | 84 | 89 Ų | 89 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -86.7 | -61.4 | -179 | -51 | 175.2 | 0 | 0 | 0 | 109.2 | R171 Q173 | I146-R171 PolarHBondContact N-O 2.71Å; I146-Q173 HydrophobicContact CD1-CB 4.14Å; I146-Q173 HydrophobicContact CD1-CG 4.23Å |
| 147 | H | 89.9 | Confident | 85.8 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -111.4 | 60.4 | 178 | -59.2 | -75.7 | 0 | 0 | 0 | 111.4 | H164 Y167 C172 | H147-H164 PolarHBondContact O-CD2 3.3Å; H147-H164 PolarHBondContact O-N 3.33Å; H147-Y167 HydrophobicContact CB-CD1 3.47Å; H147-Y167 VanDerWaalsContact CB-CD1 3.47Å; H147-Y167 HydrophobicContact CB-CD2 3.83Å; H147-Y167 HydrophobicContact CB-CE1 3.65Å; H147-Y167 HydrophobicContact CB-CE2 3.99Å; H147-Y167 HydrophobicContact CB-CG 3.55Å; H147-Y167 AromaticContact CD2-CD1 3.69Å; H147-Y167 AromaticContact CD2-CE1 3.26Å; H147-Y167 WeakPolarHBondContact CD2-CE1 3.33Å; H147-Y167 AromaticContact CD2-CZ 3.9Å; H147-Y167 AromaticContact CG-CD1 3.67Å; H147-Y167 AromaticContact CG-CE1 3.32Å; H147-Y167 AromaticContact CG-CZ 3.57Å; H147-Y167 AromaticContact ND1-CE1 3.9Å; H147-Y167 AromaticContact ND1-CZ 3.72Å; H147-Y167 AromaticContact NE2-CE1 3.83Å; H147-C172 HydrophobicContact CB-CB 4.33Å; H147-C172 PolarHBondContact CD2-O 3.26Å; H147-C172 PolarHBondContact N-O 3.32Å; H147-C172 VanDerWaalsContact O-CB 3.31Å; H147-C172 WeakPolarHBondContact O-CB 3.35Å |
| 148 | G | 89.6 | Confident | 85.9 | Confident | 16 Ų | 16 | 97.5 Ų | 97.5 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 179.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V162 | G148-V162 CarbonylContact C-O 3.44Å; G148-V162 WeakPolarHBondContact CA-O 3.37Å |
| 149 | T | 90.2 | Very high | 86.3 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.4 | 179.7 | 59 | 0 | 0 | 0 | 0 | 111.8 | V162 | T149-V162 PolarHBondContact N-O 2.83Å; T149-V162 PolarHBondContact O-N 2.89Å |
| 150 | C | 90.4 | Very high | 86.7 | Confident | 38 Ų | 38 | 86.4 Ų | 86.4 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123.3 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | C137 C145 | C137-C150 HydrophobicContact CB-CB 3.63Å; C137-C150 WeakPolarHBondContact CB-SG 3.35Å; C137-C150 WeakPolarHBondContact SG-CB 3.35Å; C137-C150 PolarHBondContact SG-O 3.14Å; C137-C150 CovalentContact SG-SG 2.04Å; C137-C150 PolarHBondContact SG-SG 2.74Å; C145-C150 VanDerWaalsContact SG-CA 3.54Å |
| 151 | Q | 89.8 | Confident | 87.2 | Confident | 117 Ų | 117 | 79.9 Ų | 79.9 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 146.1 | 169.2 | -161.1 | 179.4 | 101.2 | 0 | 0 | 109.3 | L153 P159 S160 | Q151-L153 HydrophobicContact CB-CD1 4.47Å; Q151-L153 HydrophobicContact CG-CD1 4.32Å; Q151-P159 CarbonylContact O-C 3.47Å; Q151-P159 WeakPolarHBondContact O-CA 3.26Å; Q151-S160 PolarHBondContact N-O 3.08Å; Q151-S160 PolarHBondContact O-N 3.18Å; Q151-S160 VanDerWaalsContact O-O 3.09Å |
| 152 | Y | 88.6 | Confident | 87.6 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 24% | 0.243 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 105.6 | 179.3 | -177.8 | -96.3 | 0 | 0 | 0 | 110.3 | P136 Y141 R154 R157 P159 | P136-Y152 HydrophobicContact CB-CD2 3.92Å; P136-Y152 HydrophobicContact CB-CE2 4.15Å; P136-Y152 HydrophobicContact CB-CG 4.11Å; P136-Y152 HydrophobicContact CG-CD1 3.74Å; P136-Y152 HydrophobicContact CG-CD2 4Å; P136-Y152 HydrophobicContact CG-CE1 3.81Å; P136-Y152 HydrophobicContact CG-CE2 4.09Å; P136-Y152 HydrophobicContact CG-CG 3.83Å; Y141-Y152 HydrophobicContact CE2-CE2 4.45Å; Y152-R154 HydrophobicContact CD1-CG 4.25Å; Y152-R154 HydrophobicContact CE1-CG 4.43Å; Y152-R154 PolarHBondContact O-N 3.32Å; Y152-R157 WeakPolarHBondContact CE2-O 3.3Å; Y152-R157 VanDerWaalsContact CZ-O 3.22Å; Y152-R157 VanDerWaalsContact OH-C 3.22Å; Y152-R157 WeakPolarHBondContact OH-CA 3.43Å; Y152-R157 PolarHBondContact OH-O 2.8Å; Y152-P159 HydrophobicContact CD2-CB 4.48Å |
| 153 | L | 87.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 76 Ų | 76 | 27% | 0.272 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 119.4 | -178.5 | -82.8 | 63.2 | 0 | 0 | 0 | 108.8 | Q151 I156 R157 A158 | Q151-L153 HydrophobicContact CB-CD1 4.47Å; Q151-L153 HydrophobicContact CG-CD1 4.32Å; L153-I156 HydrophobicContact CB-CD1 4.15Å; L153-I156 HydrophobicContact CB-CG1 3.73Å; L153-I156 HydrophobicContact CD2-CD1 3.98Å; L153-I156 HydrophobicContact CD2-CG1 4.32Å; L153-R157 VanDerWaalsContact O-CA 3.29Å; L153-R157 WeakPolarHBondContact O-CA 3.5Å; L153-R157 PolarHBondContact O-N 2.79Å; L153-A158 PolarHBondContact N-O 2.86Å; L153-A158 PolarHBondContact O-N 2.87Å |
| 154 | R | 84.9 | Confident | 88.4 | Confident | 151 Ų | 151 | 75.6 Ų | 75.6 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -25.8 | -172 | -66.9 | -176 | 176.9 | -168.1 | -0.1 | 113.4 | Y152 | Y152-R154 HydrophobicContact CD1-CG 4.25Å; Y152-R154 HydrophobicContact CE1-CG 4.43Å; Y152-R154 PolarHBondContact O-N 3.32Å |
| 155 | E | 84.4 | Confident | 88.3 | Confident | 175 Ų | 175 | 78.6 Ų | 78.6 | 82% | 0.818 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -61.4 | 176.5 | -68.3 | 126.3 | -122 | 0 | 0 | 110.9 | R157 | E155-R157 VanDerWaalsContact C-N 3.26Å; E155-R157 PolarHBondContact O-N 2.75Å |
| 156 | I | 84.5 | Confident | 87.8 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 62% | 0.621 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.5 | 177.3 | 61.4 | 170.3 | 0 | 0 | 0 | 114.1 | L153 A158 | L153-I156 HydrophobicContact CB-CD1 4.15Å; L153-I156 HydrophobicContact CB-CG1 3.73Å; L153-I156 HydrophobicContact CD2-CD1 3.98Å; L153-I156 HydrophobicContact CD2-CG1 4.32Å; I156-A158 HydrophobicContact CD1-CB 3.95Å; I156-A158 HydrophobicContact CG1-CB 4.02Å; I156-A158 PolarHBondContact O-N 3.19Å; I156-A158 VanDerWaalsContact O-N 3.11Å |
| 157 | R | 83.3 | Confident | 87.7 | Confident | 196 Ų | 196 | 80.3 Ų | 80.3 | 74% | 0.74 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 22.7 | -178.7 | -54.5 | -176.9 | -178.1 | -172.7 | 3.4 | 115.1 | Y152 L153 E155 | Y152-R157 WeakPolarHBondContact CE2-O 3.3Å; Y152-R157 VanDerWaalsContact CZ-O 3.22Å; Y152-R157 VanDerWaalsContact OH-C 3.22Å; Y152-R157 WeakPolarHBondContact OH-CA 3.43Å; Y152-R157 PolarHBondContact OH-O 2.8Å; L153-R157 VanDerWaalsContact O-CA 3.29Å; L153-R157 WeakPolarHBondContact O-CA 3.5Å; L153-R157 PolarHBondContact O-N 2.79Å; E155-R157 VanDerWaalsContact C-N 3.26Å; E155-R157 PolarHBondContact O-N 2.75Å |
| 158 | A | 85.6 | Confident | 87.4 | Confident | 33 Ų | 33 | 79 Ų | 79 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 151.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L153 I156 | L153-A158 PolarHBondContact N-O 2.86Å; L153-A158 PolarHBondContact O-N 2.87Å; I156-A158 HydrophobicContact CD1-CB 3.95Å; I156-A158 HydrophobicContact CG1-CB 4.02Å; I156-A158 PolarHBondContact O-N 3.19Å; I156-A158 VanDerWaalsContact O-N 3.11Å |
| 159 | P | 88.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 80.6 Ų | 80.6 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 153.7 | 163.7 | 35.1 | -35.9 | 0 | 0 | 0 | 110.8 | Y141 L144 Q151 Y152 | Y141-P159 HydrophobicContact CD1-CB 4.32Å; Y141-P159 HydrophobicContact CD1-CG 3.81Å; Y141-P159 HydrophobicContact CD2-CB 4.26Å; Y141-P159 HydrophobicContact CD2-CG 4.35Å; Y141-P159 HydrophobicContact CE1-CG 3.93Å; Y141-P159 HydrophobicContact CE2-CG 4.48Å; Y141-P159 HydrophobicContact CG-CB 4.03Å; Y141-P159 HydrophobicContact CG-CG 4.02Å; L144-P159 HydrophobicContact CD2-CB 3.6Å; L144-P159 HydrophobicContact CD2-CG 3.47Å; L144-P159 VanDerWaalsContact CD2-CG 3.47Å; Q151-P159 CarbonylContact O-C 3.47Å; Q151-P159 WeakPolarHBondContact O-CA 3.26Å; Y152-P159 HydrophobicContact CD2-CB 4.48Å |
| 160 | S | 88 | Confident | 86.9 | Confident | 53 Ų | 53 | 85.4 Ų | 85.4 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 149.9 | 170.9 | 179.7 | 0 | 0 | 0 | 0 | 109 | Q151 | Q151-S160 PolarHBondContact N-O 3.08Å; Q151-S160 PolarHBondContact O-N 3.18Å; Q151-S160 VanDerWaalsContact O-O 3.09Å |
| 161 | C | 91.6 | Very high | 86.7 | Confident | 18 Ų | 18 | 88.6 Ų | 88.6 | 12% | 0.122 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.1 | 179.8 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | C145 | C145-C161 WeakPolarHBondContact CA-SG 3.27Å; C145-C161 HydrophobicContact CB-CB 3.77Å; C145-C161 WeakPolarHBondContact CB-SG 3.41Å; C145-C161 WeakPolarHBondContact SG-CA 3.32Å; C145-C161 WeakPolarHBondContact SG-CB 3.29Å; C145-C161 CovalentContact SG-SG 2.03Å; C145-C161 PolarHBondContact SG-SG 3.5Å |
| 162 | V | 90.8 | Very high | 86.7 | Confident | 77 Ų | 77 | 83 Ų | 83 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 105.6 | 169.2 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | G148 T149 | G148-V162 CarbonylContact C-O 3.44Å; G148-V162 WeakPolarHBondContact CA-O 3.37Å; T149-V162 PolarHBondContact N-O 2.83Å; T149-V162 PolarHBondContact O-N 2.89Å |
| 163 | C | 91.3 | Very high | 86.6 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 27% | 0.27 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 154.4 | -175 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | Y167 C172 | C163-Y167 WeakPolarHBondContact CB-O 3.44Å; C163-C172 WeakPolarHBondContact CA-SG 3.35Å; C163-C172 HydrophobicContact CB-CB 3.7Å; C163-C172 WeakPolarHBondContact CB-SG 3.49Å; C163-C172 VanDerWaalsContact SG-CA 3.52Å; C163-C172 WeakPolarHBondContact SG-CB 3.09Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.01Å |
| 164 | H | 89.9 | Confident | 86.5 | Confident | 99 Ų | 99 | 89.1 Ų | 89.1 | 46% | 0.458 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 160.4 | 167.1 | -71.1 | -53.6 | 0 | 0 | 0 | 111.1 | H147 N166 Y167 | H147-H164 PolarHBondContact O-CD2 3.3Å; H147-H164 PolarHBondContact O-N 3.33Å; H164-N166 PolarHBondContact O-N 3.29Å; H164-Y167 HydrophobicContact CB-CD2 4.02Å; H164-Y167 PolarHBondContact O-N 3.09Å |
| 165 | P | 84.4 | Confident | 86.4 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 72% | 0.721 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 140.9 | 172.2 | -25.6 | 35 | 0 | 0 | 0 | 110.9 | Y167 | P165-Y167 WeakPolarHBondContact O-CD2 3.19Å; P165-Y167 PolarHBondContact O-N 2.95Å |
| 166 | N | 80.9 | Confident | 86 | Confident | 68 Ų | 68 | 82 Ų | 82 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 14.2 | -176.3 | -47.9 | -21.6 | 0 | 0 | 0 | 114.8 | H164 F175 T176 | H164-N166 PolarHBondContact O-N 3.29Å; N166-F175 HydrophobicContact CB-CD2 4.11Å; N166-F175 HydrophobicContact CB-CE2 3.49Å; N166-F175 VanDerWaalsContact CB-CE2 3.49Å; N166-F175 HydrophobicContact CB-CZ 3.91Å; N166-F175 CarbonylContact O-C 3.55Å; N166-F175 WeakPolarHBondContact O-CA 3.32Å; N166-F175 WeakPolarHBondContact O-CD2 3.22Å; N166-T176 WeakPolarHBondContact CA-O 3.19Å; N166-T176 VanDerWaalsContact CB-O 3.31Å; N166-T176 WeakPolarHBondContact CB-O 3.34Å; N166-T176 PolarHBondContact O-N 3.46Å |
| 167 | Y | 86.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 82 Ų | 82 | 26% | 0.263 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144 | 171.3 | -71.8 | -87.3 | 0 | 0 | 0 | 112.7 | H147 C163 H164 P165 L174 F175 | H147-Y167 HydrophobicContact CB-CD1 3.47Å; H147-Y167 VanDerWaalsContact CB-CD1 3.47Å; H147-Y167 HydrophobicContact CB-CD2 3.83Å; H147-Y167 HydrophobicContact CB-CE1 3.65Å; H147-Y167 HydrophobicContact CB-CE2 3.99Å; H147-Y167 HydrophobicContact CB-CG 3.55Å; H147-Y167 AromaticContact CD2-CD1 3.69Å; H147-Y167 AromaticContact CD2-CE1 3.26Å; H147-Y167 WeakPolarHBondContact CD2-CE1 3.33Å; H147-Y167 AromaticContact CD2-CZ 3.9Å; H147-Y167 AromaticContact CG-CD1 3.67Å; H147-Y167 AromaticContact CG-CE1 3.32Å; H147-Y167 AromaticContact CG-CZ 3.57Å; H147-Y167 AromaticContact ND1-CE1 3.9Å; H147-Y167 AromaticContact ND1-CZ 3.72Å; H147-Y167 AromaticContact NE2-CE1 3.83Å; C163-Y167 WeakPolarHBondContact CB-O 3.44Å; H164-Y167 HydrophobicContact CB-CD2 4.02Å; H164-Y167 PolarHBondContact O-N 3.09Å; P165-Y167 WeakPolarHBondContact O-CD2 3.19Å; P165-Y167 PolarHBondContact O-N 2.95Å; Y167-L174 CarbonylContact C-O 3.57Å; Y167-L174 VanDerWaalsContact CA-O 3.31Å; Y167-L174 WeakPolarHBondContact CA-O 3.35Å; Y167-F175 HydrophobicContact CD1-CB 4.35Å; Y167-F175 HydrophobicContact CD1-CD2 4.15Å; Y167-F175 HydrophobicContact CD2-CD2 4.21Å; Y167-F175 HydrophobicContact CE1-CB 4.17Å; Y167-F175 AromaticContact CE1-CD2 3.82Å; Y167-F175 HydrophobicContact CE1-CD2 3.82Å; Y167-F175 HydrophobicContact CE1-CG 4.47Å; Y167-F175 AromaticContact CE2-CD2 3.89Å; Y167-F175 HydrophobicContact CE2-CD2 3.89Å; Y167-F175 HydrophobicContact CE2-CE2 4.19Å; Y167-F175 HydrophobicContact CG-CD2 4.35Å; Y167-F175 AromaticContact CZ-CD2 3.7Å |
| 168 | S | 83.5 | Confident | 84.1 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 33% | 0.329 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 167.5 | -169.4 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | C172 Q173 L174 T176 | S168-C172 CarbonylContact O-C 3.54Å; S168-C172 WeakPolarHBondContact O-CA 3.36Å; S168-Q173 PolarHBondContact O-N 3.41Å; S168-L174 PolarHBondContact N-O 3.29Å; S168-L174 PolarHBondContact O-N 2.82Å; S168-L174 VanDerWaalsContact O-N 3.11Å; S168-T176 VanDerWaalsContact CB-OG1 3.3Å; S168-T176 WeakPolarHBondContact CB-OG1 3.36Å; S168-T176 PolarHBondContact OG-OG1 2.86Å |
| 169 | G | 85.6 | Confident | 82.8 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 166.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R171 C172 | G169-R171 PolarHBondContact O-N 2.94Å; G169-C172 PolarHBondContact O-N 3.34Å |
| 170 | E | 83.4 | Confident | 81.2 | Confident | 187 Ų | 187 | 85.8 Ų | 85.8 | 87% | 0.874 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.6 | -167.8 | -56.8 | -174.9 | 159.3 | 0 | 0 | 115.2 | ||
| 171 | R | 87.8 | Confident | 79.7 | Confident | 105 Ų | 105 | 88.3 Ų | 88.3 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 6.8 | 179 | -64.9 | -174.1 | 66.4 | -165 | -0 | 113.6 | D143 L144 I146 G169 | D143-R171 PolarHBondContact O-NH2 3.29Å; L144-R171 HydrophobicContact CD1-CG 4.25Å; L144-R171 WeakPolarHBondContact O-CB 3.43Å; L144-R171 WeakPolarHBondContact O-CG 3.27Å; L144-R171 PolarHBondContact O-NE 2.85Å; I146-R171 PolarHBondContact N-O 2.71Å; G169-R171 PolarHBondContact O-N 2.94Å |
| 172 | C | 89.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 90.3 Ų | 90.3 | 0% | 0 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 52.9 | -171.4 | -46.6 | 0 | 0 | 0 | 0 | 111.9 | H147 C163 S168 G169 | H147-C172 HydrophobicContact CB-CB 4.33Å; H147-C172 PolarHBondContact CD2-O 3.26Å; H147-C172 PolarHBondContact N-O 3.32Å; H147-C172 VanDerWaalsContact O-CB 3.31Å; H147-C172 WeakPolarHBondContact O-CB 3.35Å; C163-C172 WeakPolarHBondContact CA-SG 3.35Å; C163-C172 HydrophobicContact CB-CB 3.7Å; C163-C172 WeakPolarHBondContact CB-SG 3.49Å; C163-C172 VanDerWaalsContact SG-CA 3.52Å; C163-C172 WeakPolarHBondContact SG-CB 3.09Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.01Å; S168-C172 CarbonylContact O-C 3.54Å; S168-C172 WeakPolarHBondContact O-CA 3.36Å; G169-C172 PolarHBondContact O-N 3.34Å |
| 173 | Q | 87.1 | Confident | 76.5 | Confident | 130 Ų | 130 | 92.8 Ų | 92.8 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | trans | -100.3 | -33.6 | -177.2 | -178.3 | 175.7 | -18 | 0 | 0 | 112.7 | I146 S168 | I146-Q173 HydrophobicContact CD1-CB 4.14Å; I146-Q173 HydrophobicContact CD1-CG 4.23Å; S168-Q173 PolarHBondContact O-N 3.41Å | ||
| 174 | L | 84.2 | Confident | 75 | Confident | 112 Ų | 112 | 93.6 Ų | 93.6 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.7 | 176.5 | -90.9 | 62.8 | 0 | 0 | 0 | 108.9 | Y167 S168 | Y167-L174 CarbonylContact C-O 3.57Å; Y167-L174 VanDerWaalsContact CA-O 3.31Å; Y167-L174 WeakPolarHBondContact CA-O 3.35Å; S168-L174 PolarHBondContact N-O 3.29Å; S168-L174 PolarHBondContact O-N 2.82Å; S168-L174 VanDerWaalsContact O-N 3.11Å |
| 175 | F | 83.2 | Confident | 73.6 | Confident | 108 Ų | 108 | 97 Ų | 97 | 47% | 0.474 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 110.5 | 165 | -176.4 | -106 | 0 | 0 | 0 | 108.4 | N166 Y167 L177 | N166-F175 HydrophobicContact CB-CD2 4.11Å; N166-F175 HydrophobicContact CB-CE2 3.49Å; N166-F175 VanDerWaalsContact CB-CE2 3.49Å; N166-F175 HydrophobicContact CB-CZ 3.91Å; N166-F175 CarbonylContact O-C 3.55Å; N166-F175 WeakPolarHBondContact O-CA 3.32Å; N166-F175 WeakPolarHBondContact O-CD2 3.22Å; Y167-F175 HydrophobicContact CD1-CB 4.35Å; Y167-F175 HydrophobicContact CD1-CD2 4.15Å; Y167-F175 HydrophobicContact CD2-CD2 4.21Å; Y167-F175 HydrophobicContact CE1-CB 4.17Å; Y167-F175 AromaticContact CE1-CD2 3.82Å; Y167-F175 HydrophobicContact CE1-CD2 3.82Å; Y167-F175 HydrophobicContact CE1-CG 4.47Å; Y167-F175 AromaticContact CE2-CD2 3.89Å; Y167-F175 HydrophobicContact CE2-CD2 3.89Å; Y167-F175 HydrophobicContact CE2-CE2 4.19Å; Y167-F175 HydrophobicContact CG-CD2 4.35Å; Y167-F175 AromaticContact CZ-CD2 3.7Å; F175-L177 HydrophobicContact CD1-CD1 3.72Å; F175-L177 HydrophobicContact CD1-CG 4.36Å; F175-L177 HydrophobicContact CE1-CD1 3.9Å; F175-L177 HydrophobicContact CE1-CG 4.05Å |
| 176 | T | 75.8 | Confident | 72.8 | Confident | 68 Ų | 68 | 94.3 Ų | 94.3 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | trans | -87.6 | 106.1 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 107.7 | N166 S168 | N166-T176 WeakPolarHBondContact CA-O 3.19Å; N166-T176 VanDerWaalsContact CB-O 3.31Å; N166-T176 WeakPolarHBondContact CB-O 3.34Å; N166-T176 PolarHBondContact O-N 3.46Å; S168-T176 VanDerWaalsContact CB-OG1 3.3Å; S168-T176 WeakPolarHBondContact CB-OG1 3.36Å; S168-T176 PolarHBondContact OG-OG1 2.86Å | ||
| 177 | L | 68.8 | Low | 72.5 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | trans | -55.1 | 133.6 | 172.3 | -83.3 | 74.6 | 0 | 0 | 0 | 109 | F175 V179 | F175-L177 HydrophobicContact CD1-CD1 3.72Å; F175-L177 HydrophobicContact CD1-CG 4.36Å; F175-L177 HydrophobicContact CE1-CD1 3.9Å; F175-L177 HydrophobicContact CE1-CG 4.05Å; L177-V179 PolarHBondContact O-N 2.97Å | ||
| 178 | P | 59.2 | Low | 72.2 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | trans | -69.3 | 96.2 | 175.4 | 28.3 | -32.7 | 0 | 0 | 0 | 109 | H180 | P178-H180 VanDerWaalsContact C-N 3.3Å; P178-H180 PolarHBondContact O-CD2 3.01Å; P178-H180 VanDerWaalsContact O-CD2 3.29Å; P178-H180 PolarHBondContact O-N 3.4Å | ||
| 179 | V | 58.7 | Low | 72.2 | Confident | 123 Ų | 123 | 101.2 Ų | 101.2 | 75% | 0.745 | 54% | 0.536 | S | S | * | . | trans | -63.1 | 100.1 | 160.2 | -179.7 | 0 | 0 | 0 | 0 | 105.8 | L177 T181 | L177-V179 PolarHBondContact O-N 2.97Å; V179-T181 HydrophobicContact CG1-CG2 4.31Å; V179-T181 PolarHBondContact O-N 2.77Å | ||
| 180 | H | 54.7 | Low | 72 | Confident | 162 Ų | 162 | 101.1 Ų | 101.1 | 75% | 0.75 | 53% | 0.531 | S | S | * | . | trans | -70.6 | 79.4 | 179.5 | -80.4 | -87.2 | 0 | 0 | 0 | 110 | P178 S182 | P178-H180 VanDerWaalsContact C-N 3.3Å; P178-H180 PolarHBondContact O-CD2 3.01Å; P178-H180 VanDerWaalsContact O-CD2 3.29Å; P178-H180 PolarHBondContact O-N 3.4Å; H180-S182 PolarHBondContact O-N 3.39Å | ||
| 181 | T | 57.5 | Low | 72.2 | Confident | 107 Ų | 107 | 97.8 Ų | 97.8 | 66% | 0.656 | 52% | 0.519 | S | S | * | . | trans | -66.7 | 76.9 | 161.9 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | V179 E183 | V179-T181 HydrophobicContact CG1-CG2 4.31Å; V179-T181 PolarHBondContact O-N 2.77Å; T181-E183 PolarHBondContact O-N 3.16Å | ||
| 182 | S | 56.9 | Low | 72.1 | Confident | 60 Ų | 60 | 95.5 Ų | 95.5 | 42% | 0.42 | 52% | 0.522 | S | S | . | . | trans | -77.9 | 64.6 | 179 | -157.3 | 0 | 0 | 0 | 0 | 109.5 | H180 G184 Y185 S186 | H180-S182 PolarHBondContact O-N 3.39Å; S182-G184 PolarHBondContact O-N 2.98Å; S182-G184 VanDerWaalsContact O-N 3.14Å; S182-Y185 PolarHBondContact O-N 3.31Å; S182-Y185 WeakPolarHBondContact OG-CB 3.22Å; S182-S186 VanDerWaalsContact O-CB 3.29Å; S182-S186 WeakPolarHBondContact O-CB 3.5Å; S182-S186 PolarHBondContact O-N 3.39Å; S182-S186 PolarHBondContact O-OG 3.39Å | ||
| 183 | E | 58.2 | Low | 72.1 | Confident | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -51.9 | -37.8 | -172.4 | -144.6 | 73.3 | -165.4 | 0 | 0 | 111.9 | T181 R187 | T181-E183 PolarHBondContact O-N 3.16Å; E183-R187 VanDerWaalsContact O-CG 3.22Å; E183-R187 WeakPolarHBondContact O-CG 3.42Å |
| 184 | G | 58.6 | Low | 72.4 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -84 | -42.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | S182 | S182-G184 PolarHBondContact O-N 2.98Å; S182-G184 VanDerWaalsContact O-N 3.14Å |
| 185 | Y | 61.1 | Low | 72.6 | Confident | 169 Ų | 169 | 95 Ų | 95 | 66% | 0.663 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -77 | -35.8 | -175.9 | -167.5 | 90 | 0 | 0 | 0 | 112.2 | S182 T188 T189 | S182-Y185 PolarHBondContact O-N 3.31Å; S182-Y185 WeakPolarHBondContact OG-CB 3.22Å; Y185-T188 PolarHBondContact O-OG1 2.98Å; Y185-T189 HydrophobicContact CD2-CG2 4Å; Y185-T189 HydrophobicContact CE2-CG2 3.69Å; Y185-T189 WeakPolarHBondContact O-CB 3.19Å; Y185-T189 WeakPolarHBondContact O-CG2 3.19Å; Y185-T189 PolarHBondContact O-N 2.95Å; Y185-T189 PolarHBondContact O-OG1 3.43Å |
| 186 | S | 67.2 | Low | 73 | Confident | 56 Ų | 56 | 94.8 Ų | 94.8 | 39% | 0.392 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | -179.8 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | S182 T189 A190 | S182-S186 VanDerWaalsContact O-CB 3.29Å; S182-S186 WeakPolarHBondContact O-CB 3.5Å; S182-S186 PolarHBondContact O-N 3.39Å; S182-S186 PolarHBondContact O-OG 3.39Å; S186-T189 PolarHBondContact O-OG1 3.3Å; S186-A190 WeakPolarHBondContact O-CB 3.22Å; S186-A190 PolarHBondContact O-N 3.04Å |
| 187 | R | 76.3 | Confident | 73.6 | Confident | 174 Ų | 174 | 95.2 Ų | 95.2 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.7 | -51.6 | -178.1 | -76.5 | -77.3 | -178.5 | 132.8 | 0.1 | 112.9 | E183 L191 | E183-R187 VanDerWaalsContact O-CG 3.22Å; E183-R187 WeakPolarHBondContact O-CG 3.42Å; R187-L191 VanDerWaalsContact O-CG 3.28Å; R187-L191 WeakPolarHBondContact O-CG 3.33Å; R187-L191 PolarHBondContact O-N 3.47Å |
| 188 | T | 80.2 | Confident | 74.7 | Confident | 97 Ų | 97 | 94.4 Ų | 94.4 | 60% | 0.595 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72 | -39.3 | -177.9 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | Y185 A192 | Y185-T188 PolarHBondContact O-OG1 2.98Å; T188-A192 WeakPolarHBondContact O-CB 3.35Å; T188-A192 PolarHBondContact O-N 2.66Å |
| 189 | T | 81.8 | Confident | 76.2 | Confident | 55 Ų | 55 | 94.9 Ų | 94.9 | 34% | 0.337 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | Y185 S186 A192 V193 | Y185-T189 HydrophobicContact CD2-CG2 4Å; Y185-T189 HydrophobicContact CE2-CG2 3.69Å; Y185-T189 WeakPolarHBondContact O-CB 3.19Å; Y185-T189 WeakPolarHBondContact O-CG2 3.19Å; Y185-T189 PolarHBondContact O-N 2.95Å; Y185-T189 PolarHBondContact O-OG1 3.43Å; S186-T189 PolarHBondContact O-OG1 3.3Å; T189-A192 PolarHBondContact O-N 3.42Å; T189-V193 WeakPolarHBondContact O-CG2 3.46Å; T189-V193 PolarHBondContact O-N 2.93Å |
| 190 | A | 82.5 | Confident | 77.5 | Confident | 47 Ų | 47 | 91.9 Ų | 91.9 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S186 A192 V193 I194 | S186-A190 WeakPolarHBondContact O-CB 3.22Å; S186-A190 PolarHBondContact O-N 3.04Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.41Å; A190-V193 PolarHBondContact O-N 2.89Å; A190-I194 WeakPolarHBondContact O-CB 3.23Å; A190-I194 WeakPolarHBondContact O-CD1 3.41Å; A190-I194 VanDerWaalsContact O-CG1 3.23Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 3.46Å |
| 191 | L | 86.5 | Confident | 79 | Confident | 117 Ų | 117 | 87.4 Ų | 87.4 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -41 | 175.4 | -72 | 171.6 | 0 | 0 | 0 | 112.2 | R187 I194 A195 | R187-L191 VanDerWaalsContact O-CG 3.28Å; R187-L191 WeakPolarHBondContact O-CG 3.33Å; R187-L191 PolarHBondContact O-N 3.47Å; L191-I194 PolarHBondContact O-N 2.9Å; L191-A195 WeakPolarHBondContact O-CB 3.26Å; L191-A195 PolarHBondContact O-N 3.17Å |
| 192 | A | 86.8 | Confident | 80.4 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T188 T189 A190 A195 V196 | T188-A192 WeakPolarHBondContact O-CB 3.35Å; T188-A192 PolarHBondContact O-N 2.66Å; T189-A192 PolarHBondContact O-N 3.42Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.41Å; A192-A195 PolarHBondContact O-N 2.93Å; A192-V196 WeakPolarHBondContact O-CG2 3.44Å; A192-V196 PolarHBondContact O-N 2.96Å |
| 193 | V | 90.3 | Very high | 81.7 | Confident | 91 Ų | 91 | 88.5 Ų | 88.5 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | T189 A190 A195 V196 V197 | T189-V193 WeakPolarHBondContact O-CG2 3.46Å; T189-V193 PolarHBondContact O-N 2.93Å; A190-V193 PolarHBondContact O-N 2.89Å; V193-A195 PolarHBondContact O-N 2.71Å; V193-V196 PolarHBondContact O-N 2.88Å; V193-V197 HydrophobicContact CG1-CG2 4.42Å; V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 3.37Å |
| 194 | I | 91.4 | Very high | 82.7 | Confident | 90 Ų | 90 | 85.4 Ų | 85.4 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.8 | -69 | 163.3 | 0 | 0 | 0 | 110.6 | A190 L191 V196 V197 L198 | A190-I194 WeakPolarHBondContact O-CB 3.23Å; A190-I194 WeakPolarHBondContact O-CD1 3.41Å; A190-I194 VanDerWaalsContact O-CG1 3.23Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 3.46Å; L191-I194 PolarHBondContact O-N 2.9Å; I194-V196 VanDerWaalsContact C-N 3.35Å; I194-V196 PolarHBondContact O-N 3Å; I194-V197 PolarHBondContact O-N 3.33Å; I194-L198 HydrophobicContact CG2-CD1 3.69Å; I194-L198 HydrophobicContact CG2-CG 4.18Å; I194-L198 WeakPolarHBondContact O-CB 3.28Å; I194-L198 WeakPolarHBondContact O-CG 3.48Å; I194-L198 PolarHBondContact O-N 3.44Å |
| 195 | A | 89.4 | Confident | 83.9 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L191 A192 V193 S199 | L191-A195 WeakPolarHBondContact O-CB 3.26Å; L191-A195 PolarHBondContact O-N 3.17Å; A192-A195 PolarHBondContact O-N 2.93Å; V193-A195 PolarHBondContact O-N 2.71Å; A195-S199 WeakPolarHBondContact O-CB 3.41Å; A195-S199 PolarHBondContact O-N 3.02Å; A195-S199 PolarHBondContact O-OG 2.77Å |
| 196 | V | 90.4 | Very high | 85.1 | Confident | 103 Ų | 103 | 83.2 Ų | 83.2 | 62% | 0.624 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.4 | -46.4 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | A192 V193 I194 S199 S200 | A192-V196 WeakPolarHBondContact O-CG2 3.44Å; A192-V196 PolarHBondContact O-N 2.96Å; V193-V196 PolarHBondContact O-N 2.88Å; I194-V196 VanDerWaalsContact C-N 3.35Å; I194-V196 PolarHBondContact O-N 3Å; V196-S199 PolarHBondContact O-N 3.44Å; V196-S200 PolarHBondContact O-N 3.32Å; V196-S200 PolarHBondContact O-OG 3.43Å |
| 197 | V | 90.1 | Very high | 85.8 | Confident | 77 Ų | 77 | 82 Ų | 82 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -54.1 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | V193 I194 S199 S200 V201 | V193-V197 HydrophobicContact CG1-CG2 4.42Å; V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 3.37Å; I194-V197 PolarHBondContact O-N 3.33Å; V197-S199 VanDerWaalsContact C-N 3.33Å; V197-S199 PolarHBondContact O-N 2.99Å; V197-S200 PolarHBondContact O-N 3.37Å; V197-S200 VanDerWaalsContact O-N 3.16Å; V197-S200 PolarHBondContact O-OG 3.03Å; V197-V201 WeakPolarHBondContact O-CG2 3.46Å; V197-V201 PolarHBondContact O-N 2.89Å |
| 198 | L | 92 | Very high | 86.1 | Confident | 105 Ų | 105 | 79.1 Ų | 79.1 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 178.2 | -68.4 | 176.5 | 0 | 0 | 0 | 111.9 | I194 S200 V201 C202 | I194-L198 HydrophobicContact CG2-CD1 3.69Å; I194-L198 HydrophobicContact CG2-CG 4.18Å; I194-L198 WeakPolarHBondContact O-CB 3.28Å; I194-L198 WeakPolarHBondContact O-CG 3.48Å; I194-L198 PolarHBondContact O-N 3.44Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-S200 PolarHBondContact O-N 3.01Å; L198-V201 PolarHBondContact O-N 3.27Å; L198-C202 WeakPolarHBondContact O-CB 3.3Å; L198-C202 PolarHBondContact O-N 2.86Å; L198-C202 PolarHBondContact O-SG 3.03Å; L198-C202 VanDerWaalsContact O-SG 3.33Å |
| 199 | S | 90.8 | Very high | 86.3 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 177.5 | -61.8 | 0 | 0 | 0 | 0 | 112 | A195 V196 V197 L203 | A195-S199 WeakPolarHBondContact O-CB 3.41Å; A195-S199 PolarHBondContact O-N 3.02Å; A195-S199 PolarHBondContact O-OG 2.77Å; V196-S199 PolarHBondContact O-N 3.44Å; V197-S199 VanDerWaalsContact C-N 3.33Å; V197-S199 PolarHBondContact O-N 2.99Å; S199-L203 WeakPolarHBondContact O-CB 3.31Å; S199-L203 VanDerWaalsContact O-CG 3.26Å; S199-L203 WeakPolarHBondContact O-CG 3.09Å; S199-L203 PolarHBondContact O-N 2.88Å |
| 200 | S | 84.7 | Confident | 86.4 | Confident | 59 Ų | 59 | 81 Ų | 81 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 177.7 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | V196 V197 L198 L203 T204 | V196-S200 PolarHBondContact O-N 3.32Å; V196-S200 PolarHBondContact O-OG 3.43Å; V197-S200 PolarHBondContact O-N 3.37Å; V197-S200 VanDerWaalsContact O-N 3.16Å; V197-S200 PolarHBondContact O-OG 3.03Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-S200 PolarHBondContact O-N 3.01Å; S200-L203 PolarHBondContact O-N 3.27Å; S200-T204 WeakPolarHBondContact O-CG2 3.34Å; S200-T204 PolarHBondContact O-N 2.77Å; S200-T204 PolarHBondContact O-OG1 3.43Å |
| 201 | V | 86.3 | Confident | 86.1 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.2 | V197 L198 L203 T204 I205 | V197-V201 WeakPolarHBondContact O-CG2 3.46Å; V197-V201 PolarHBondContact O-N 2.89Å; L198-V201 PolarHBondContact O-N 3.27Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.17Å; V201-T204 PolarHBondContact O-N 3.47Å; V201-T204 PolarHBondContact O-OG1 3.31Å; V201-I205 HydrophobicContact CG1-CD1 3.8Å; V201-I205 VanDerWaalsContact O-CG1 3.31Å; V201-I205 WeakPolarHBondContact O-CG1 3.47Å; V201-I205 PolarHBondContact O-N 3.38Å |
| 202 | C | 87.2 | Confident | 85.7 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 46% | 0.459 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.5 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | L198 I205 I206 | L198-C202 WeakPolarHBondContact O-CB 3.3Å; L198-C202 PolarHBondContact O-N 2.86Å; L198-C202 PolarHBondContact O-SG 3.03Å; L198-C202 VanDerWaalsContact O-SG 3.33Å; C202-I205 PolarHBondContact O-N 2.96Å; C202-I206 WeakPolarHBondContact O-CB 3.37Å; C202-I206 WeakPolarHBondContact O-CD1 3.26Å; C202-I206 VanDerWaalsContact O-CG1 3.26Å; C202-I206 WeakPolarHBondContact O-CG1 3.41Å; C202-I206 PolarHBondContact O-N 3.48Å |
| 203 | L | 83.4 | Confident | 85.3 | Confident | 122 Ų | 122 | 89 Ų | 89 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68 | -35.1 | 178.8 | -72.5 | 171.8 | 0 | 0 | 0 | 113.2 | S199 S200 V201 G207 | S199-L203 WeakPolarHBondContact O-CB 3.31Å; S199-L203 VanDerWaalsContact O-CG 3.26Å; S199-L203 WeakPolarHBondContact O-CG 3.09Å; S199-L203 PolarHBondContact O-N 2.88Å; S200-L203 PolarHBondContact O-N 3.27Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.17Å; L203-G207 PolarHBondContact O-N 3.39Å |
| 204 | T | 80.7 | Confident | 84.5 | Confident | 65 Ų | 65 | 91 Ų | 91 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.4 | -41.5 | 174 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | S200 V201 G207 L208 | S200-T204 WeakPolarHBondContact O-CG2 3.34Å; S200-T204 PolarHBondContact O-N 2.77Å; S200-T204 PolarHBondContact O-OG1 3.43Å; V201-T204 PolarHBondContact O-N 3.47Å; V201-T204 PolarHBondContact O-OG1 3.31Å; T204-G207 PolarHBondContact O-N 2.84Å; T204-L208 WeakPolarHBondContact O-CB 3.46Å; T204-L208 VanDerWaalsContact O-CG 3.3Å; T204-L208 WeakPolarHBondContact O-CG 3.28Å; T204-L208 PolarHBondContact O-N 2.85Å |
| 205 | I | 83.7 | Confident | 83.4 | Confident | 88 Ų | 88 | 93.8 Ų | 93.8 | 45% | 0.451 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 175.3 | -66.8 | 167.5 | 0 | 0 | 0 | 110.7 | V201 C202 G207 L208 L209 | V201-I205 HydrophobicContact CG1-CD1 3.8Å; V201-I205 VanDerWaalsContact O-CG1 3.31Å; V201-I205 WeakPolarHBondContact O-CG1 3.47Å; V201-I205 PolarHBondContact O-N 3.38Å; C202-I205 PolarHBondContact O-N 2.96Å; I205-G207 VanDerWaalsContact C-N 3.32Å; I205-G207 PolarHBondContact O-N 2.86Å; I205-L208 PolarHBondContact O-N 3.46Å; I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 HydrophobicContact CG2-CG 4.43Å; I205-L209 WeakPolarHBondContact O-CB 3.21Å; I205-L209 WeakPolarHBondContact O-CG 3.32Å; I205-L209 PolarHBondContact O-N 2.9Å |
| 206 | I | 85.3 | Confident | 82.2 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.1 | -70.1 | 161.3 | 0 | 0 | 0 | 110.5 | C202 L208 L209 L210 | C202-I206 WeakPolarHBondContact O-CB 3.37Å; C202-I206 WeakPolarHBondContact O-CD1 3.26Å; C202-I206 VanDerWaalsContact O-CG1 3.26Å; C202-I206 WeakPolarHBondContact O-CG1 3.41Å; C202-I206 PolarHBondContact O-N 3.48Å; I206-L208 PolarHBondContact O-N 2.91Å; I206-L209 PolarHBondContact O-N 3.45Å; I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.24Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 VanDerWaalsContact O-CG 3.28Å; I206-L210 WeakPolarHBondContact O-CG 3.22Å; I206-L210 PolarHBondContact O-N 3.27Å |
| 207 | G | 82 | Confident | 80.8 | Confident | 31 Ų | 31 | 102.3 Ų | 102.3 | 32% | 0.32 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L203 T204 I205 M211 | L203-G207 PolarHBondContact O-N 3.39Å; T204-G207 PolarHBondContact O-N 2.84Å; I205-G207 VanDerWaalsContact C-N 3.32Å; I205-G207 PolarHBondContact O-N 2.86Å; G207-M211 VanDerWaalsContact O-CB 3.32Å; G207-M211 WeakPolarHBondContact O-CB 3.37Å; G207-M211 WeakPolarHBondContact O-CG 3.3Å; G207-M211 PolarHBondContact O-N 3.49Å |
| 208 | L | 82.8 | Confident | 79.3 | Confident | 113 Ų | 113 | 100.2 Ų | 100.2 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -45.6 | 175.9 | -72.1 | 169.9 | 0 | 0 | 0 | 111.8 | T204 I205 I206 L210 M211 L212 | T204-L208 WeakPolarHBondContact O-CB 3.46Å; T204-L208 VanDerWaalsContact O-CG 3.3Å; T204-L208 WeakPolarHBondContact O-CG 3.28Å; T204-L208 PolarHBondContact O-N 2.85Å; I205-L208 PolarHBondContact O-N 3.46Å; I206-L208 PolarHBondContact O-N 2.91Å; L208-L210 PolarHBondContact O-N 2.81Å; L208-M211 PolarHBondContact O-N 2.79Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.34Å; L208-L212 PolarHBondContact O-N 3.43Å |
| 209 | L | 83.8 | Confident | 77.6 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.7 | -71.3 | 173.8 | 0 | 0 | 0 | 111.8 | I205 I206 L212 R213 | I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 HydrophobicContact CG2-CG 4.43Å; I205-L209 WeakPolarHBondContact O-CB 3.21Å; I205-L209 WeakPolarHBondContact O-CG 3.32Å; I205-L209 PolarHBondContact O-N 2.9Å; I206-L209 PolarHBondContact O-N 3.45Å; L209-L212 PolarHBondContact O-N 3.06Å; L209-R213 WeakPolarHBondContact O-CB 3.47Å; L209-R213 WeakPolarHBondContact O-CG 3.26Å; L209-R213 PolarHBondContact O-N 2.92Å |
| 210 | L | 83.8 | Confident | 75.8 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 173.7 | -73.2 | 174.9 | 0 | 0 | 0 | 111.2 | I206 L208 L212 R213 F214 | I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.24Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 VanDerWaalsContact O-CG 3.28Å; I206-L210 WeakPolarHBondContact O-CG 3.22Å; I206-L210 PolarHBondContact O-N 3.27Å; L208-L210 PolarHBondContact O-N 2.81Å; L210-L212 VanDerWaalsContact C-N 3.32Å; L210-L212 PolarHBondContact O-N 3.01Å; L210-R213 CarbonylContact O-C 3.58Å; L210-R213 PolarHBondContact O-N 2.77Å; L210-R213 VanDerWaalsContact O-N 3.17Å; L210-F214 HydrophobicContact CB-CD2 4.34Å; L210-F214 HydrophobicContact CB-CE2 4.3Å; L210-F214 WeakPolarHBondContact O-CB 3.32Å; L210-F214 WeakPolarHBondContact O-CD2 3.18Å; L210-F214 PolarHBondContact O-N 3.06Å |
| 211 | M | 76.6 | Confident | 74.4 | Confident | 99 Ų | 99 | 105.4 Ų | 105.4 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.3 | -77.6 | -70.1 | -68.1 | 0 | 0 | 112.4 | G207 L208 F214 H215 | G207-M211 VanDerWaalsContact O-CB 3.32Å; G207-M211 WeakPolarHBondContact O-CB 3.37Å; G207-M211 WeakPolarHBondContact O-CG 3.3Å; G207-M211 PolarHBondContact O-N 3.49Å; L208-M211 PolarHBondContact O-N 2.79Å; M211-F214 PolarHBondContact O-N 3.38Å; M211-H215 WeakPolarHBondContact O-CB 3.32Å; M211-H215 PolarHBondContact O-N 2.88Å |
| 212 | L | 78.4 | Confident | 73.1 | Confident | 114 Ų | 114 | 105.7 Ų | 105.7 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68 | -39.2 | 174.4 | -71.2 | 168.4 | 0 | 0 | 0 | 112.2 | L208 L209 L210 H215 K216 | L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.34Å; L208-L212 PolarHBondContact O-N 3.43Å; L209-L212 PolarHBondContact O-N 3.06Å; L210-L212 VanDerWaalsContact C-N 3.32Å; L210-L212 PolarHBondContact O-N 3.01Å; L212-H215 PolarHBondContact O-N 2.9Å; L212-K216 PolarHBondContact O-N 3.28Å |
| 213 | R | 79 | Confident | 71.7 | Confident | 173 Ų | 173 | 107 Ų | 107 | 65% | 0.653 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 173.2 | -71.3 | -79 | -173.2 | 154 | 3.9 | 111.7 | L209 L210 R217 | L209-R213 WeakPolarHBondContact O-CB 3.47Å; L209-R213 WeakPolarHBondContact O-CG 3.26Å; L209-R213 PolarHBondContact O-N 2.92Å; L210-R213 CarbonylContact O-C 3.58Å; L210-R213 PolarHBondContact O-N 2.77Å; L210-R213 VanDerWaalsContact O-N 3.17Å; R213-R217 VanDerWaalsContact O-CB 3.26Å; R213-R217 WeakPolarHBondContact O-CB 3.4Å; R213-R217 WeakPolarHBondContact O-CG 3.33Å; R213-R217 PolarHBondContact O-N 3.11Å |
| 214 | F | 72.3 | Confident | 70.5 | Confident | 134 Ų | 134 | 104 Ų | 104 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.5 | -35.2 | 173.7 | -77.9 | -61.6 | 0 | 0 | 0 | 112.1 | L210 M211 G218 | L210-F214 HydrophobicContact CB-CD2 4.34Å; L210-F214 HydrophobicContact CB-CE2 4.3Å; L210-F214 WeakPolarHBondContact O-CB 3.32Å; L210-F214 WeakPolarHBondContact O-CD2 3.18Å; L210-F214 PolarHBondContact O-N 3.06Å; M211-F214 PolarHBondContact O-N 3.38Å; F214-G218 PolarHBondContact O-N 2.96Å |
| 215 | H | 69.2 | Low | 69.5 | Low | 148 Ų | 148 | 105.6 Ų | 105.6 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.2 | -43.1 | 174.8 | -162.4 | -65 | 0 | 0 | 0 | 111.8 | M211 L212 A219 | M211-H215 WeakPolarHBondContact O-CB 3.32Å; M211-H215 PolarHBondContact O-N 2.88Å; L212-H215 PolarHBondContact O-N 2.9Å; H215-A219 WeakPolarHBondContact O-CB 3.44Å; H215-A219 PolarHBondContact O-N 3.38Å |
| 216 | K | 64.8 | Low | 68.4 | Low | 165 Ų | 165 | 106.9 Ų | 106.9 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -38.7 | 174.2 | -76 | -164.4 | 173.7 | -170.3 | 0 | 112.5 | L212 Y220 | L212-K216 PolarHBondContact O-N 3.28Å; K216-Y220 PolarHBondContact O-N 3.22Å |
| 217 | R | 60.6 | Low | 67 | Low | 168 Ų | 168 | 108.5 Ų | 108.5 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -46.4 | 174 | -79.3 | 177.9 | 171.2 | 161.4 | -4 | 112.1 | R213 A219 Y220 D221 | R213-R217 VanDerWaalsContact O-CB 3.26Å; R213-R217 WeakPolarHBondContact O-CB 3.4Å; R213-R217 WeakPolarHBondContact O-CG 3.33Å; R213-R217 PolarHBondContact O-N 3.11Å; R217-A219 VanDerWaalsContact C-N 3.3Å; R217-A219 PolarHBondContact O-N 3.3Å; R217-Y220 CarbonylContact O-C 3.56Å; R217-Y220 WeakPolarHBondContact O-CB 3.35Å; R217-Y220 PolarHBondContact O-N 3.04Å; R217-Y220 VanDerWaalsContact O-N 3.09Å; R217-D221 WeakPolarHBondContact O-CB 3.27Å; R217-D221 PolarHBondContact O-N 3.48Å |
| 218 | G | 57.3 | Low | 65.9 | Low | 33 Ų | 33 | 111.5 Ų | 111.5 | 34% | 0.34 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F214 D221 V222 | F214-G218 PolarHBondContact O-N 2.96Å; G218-D221 PolarHBondContact O-N 3.48Å; G218-V222 WeakPolarHBondContact O-CB 3.49Å; G218-V222 WeakPolarHBondContact O-CG2 3.39Å; G218-V222 PolarHBondContact O-N 3.48Å |
| 219 | A | 57.4 | Low | 64.8 | Low | 51 Ų | 51 | 111.7 Ų | 111.7 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H215 R217 D221 E223 | H215-A219 WeakPolarHBondContact O-CB 3.44Å; H215-A219 PolarHBondContact O-N 3.38Å; R217-A219 VanDerWaalsContact C-N 3.3Å; R217-A219 PolarHBondContact O-N 3.3Å; A219-D221 PolarHBondContact O-N 2.92Å; A219-E223 WeakPolarHBondContact O-CB 3.33Å; A219-E223 PolarHBondContact O-N 2.92Å |
| 220 | Y | 52.9 | Low | 63.5 | Low | 183 Ų | 183 | 112.6 Ų | 112.6 | 72% | 0.718 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -37.9 | 175.4 | -100.4 | -105.8 | 0 | 0 | 0 | 113.5 | K216 R217 S224 | K216-Y220 PolarHBondContact O-N 3.22Å; R217-Y220 CarbonylContact O-C 3.56Å; R217-Y220 WeakPolarHBondContact O-CB 3.35Å; R217-Y220 PolarHBondContact O-N 3.04Å; R217-Y220 VanDerWaalsContact O-N 3.09Å; Y220-S224 VanDerWaalsContact O-CB 3.28Å; Y220-S224 WeakPolarHBondContact O-CB 3.44Å; Y220-S224 PolarHBondContact O-N 2.97Å; Y220-S224 PolarHBondContact O-OG 3.42Å |
| 221 | D | 54.6 | Low | 62.3 | Low | 106 Ų | 106 | 110.6 Ų | 110.6 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.2 | -53 | -178.8 | -155.7 | 55.1 | 0 | 0 | 0 | 109.9 | R217 G218 A219 S224 E225 | R217-D221 WeakPolarHBondContact O-CB 3.27Å; R217-D221 PolarHBondContact O-N 3.48Å; G218-D221 PolarHBondContact O-N 3.48Å; A219-D221 PolarHBondContact O-N 2.92Å; D221-S224 PolarHBondContact O-N 3.26Å; D221-S224 PolarHBondContact O-OG 3.18Å; D221-E225 PolarHBondContact O-N 2.91Å |
| 222 | V | 58.9 | Low | 61.4 | Low | 74 Ų | 74 | 111.9 Ų | 111.9 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.1 | -47.2 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | G218 S224 E225 E226 | G218-V222 WeakPolarHBondContact O-CB 3.49Å; G218-V222 WeakPolarHBondContact O-CG2 3.39Å; G218-V222 PolarHBondContact O-N 3.48Å; V222-S224 PolarHBondContact O-N 3.17Å; V222-E225 PolarHBondContact O-N 3.48Å; V222-E225 VanDerWaalsContact O-N 3.17Å; V222-E226 HydrophobicContact CG1-CG 4.41Å; V222-E226 WeakPolarHBondContact O-CG 3.39Å; V222-E226 PolarHBondContact O-N 3.38Å |
| 223 | E | 59.3 | Low | 60.4 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 44% | 0.444 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.9 | -28.8 | 179.3 | -166.2 | -177.4 | 139.7 | 0 | 0 | 111.8 | A219 K227 | A219-E223 WeakPolarHBondContact O-CB 3.33Å; A219-E223 PolarHBondContact O-N 2.92Å; E223-K227 HydrophobicContact CG-CD 4.35Å; E223-K227 WeakPolarHBondContact O-CB 3.19Å; E223-K227 WeakPolarHBondContact O-CD 3.28Å; E223-K227 WeakPolarHBondContact O-CG 3.45Å; E223-K227 PolarHBondContact O-N 3.27Å; E223-K227 WeakPolarHBondContact OE1-CE 3.2Å; E223-K227 IonicContact OE1-NZ 3.31Å; E223-K227 PolarHBondContact OE1-NZ 3.13Å |
| 224 | S | 57.7 | Low | 59.5 | Low | 59 Ų | 59 | 107.1 Ų | 107.1 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.9 | -42.4 | 172.5 | 79.9 | 0 | 0 | 0 | 0 | 112.6 | Y220 D221 V222 E226 K227 V228 | Y220-S224 VanDerWaalsContact O-CB 3.28Å; Y220-S224 WeakPolarHBondContact O-CB 3.44Å; Y220-S224 PolarHBondContact O-N 2.97Å; Y220-S224 PolarHBondContact O-OG 3.42Å; D221-S224 PolarHBondContact O-N 3.26Å; D221-S224 PolarHBondContact O-OG 3.18Å; V222-S224 PolarHBondContact O-N 3.17Å; S224-E226 PolarHBondContact O-N 2.95Å; S224-K227 PolarHBondContact O-N 2.83Å; S224-V228 WeakPolarHBondContact O-CG2 3.09Å; S224-V228 PolarHBondContact O-N 2.72Å |
| 225 | E | 60.1 | Low | 58.8 | Low | 99 Ų | 99 | 107.5 Ų | 107.5 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.5 | -43.5 | 175 | -84.2 | -145.8 | 93.8 | 0 | 0 | 112.1 | D221 V222 V228 K229 | D221-E225 PolarHBondContact O-N 2.91Å; V222-E225 PolarHBondContact O-N 3.48Å; V222-E225 VanDerWaalsContact O-N 3.17Å; E225-V228 PolarHBondContact O-N 2.78Å; E225-K229 VanDerWaalsContact CD-NZ 3.28Å; E225-K229 WeakPolarHBondContact O-CB 2.96Å; E225-K229 WeakPolarHBondContact O-CD 3.48Å; E225-K229 VanDerWaalsContact O-CG 3.27Å; E225-K229 WeakPolarHBondContact O-CG 3.34Å; E225-K229 PolarHBondContact O-N 3.25Å; E225-K229 IonicContact OE1-NZ 2.57Å; E225-K229 PolarHBondContact OE1-NZ 3.09Å; E225-K229 IonicContact OE2-NZ 3.47Å |
| 226 | E | 59.2 | Low | 57.8 | Low | 116 Ų | 116 | 111.3 Ų | 111.3 | 54% | 0.542 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.2 | -42.9 | 178.5 | -71.2 | -174.7 | 150.7 | 0 | 0 | 111.4 | V222 S224 V228 K229 L230 | V222-E226 HydrophobicContact CG1-CG 4.41Å; V222-E226 WeakPolarHBondContact O-CG 3.39Å; V222-E226 PolarHBondContact O-N 3.38Å; S224-E226 PolarHBondContact O-N 2.95Å; E226-V228 PolarHBondContact O-N 3.22Å; E226-K229 PolarHBondContact O-N 3.12Å; E226-L230 WeakPolarHBondContact O-CG 3.21Å; E226-L230 PolarHBondContact O-N 2.61Å |
| 227 | K | 56.8 | Low | 57.4 | Low | 125 Ų | 125 | 108.7 Ų | 108.7 | 54% | 0.543 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.9 | -38.6 | 176 | -75.6 | 170.2 | -178.4 | 172.7 | 0 | 112.8 | E223 S224 G231 | E223-K227 HydrophobicContact CG-CD 4.35Å; E223-K227 WeakPolarHBondContact O-CB 3.19Å; E223-K227 WeakPolarHBondContact O-CD 3.28Å; E223-K227 WeakPolarHBondContact O-CG 3.45Å; E223-K227 PolarHBondContact O-N 3.27Å; E223-K227 WeakPolarHBondContact OE1-CE 3.2Å; E223-K227 IonicContact OE1-NZ 3.31Å; E223-K227 PolarHBondContact OE1-NZ 3.13Å; S224-K227 PolarHBondContact O-N 2.83Å; K227-G231 PolarHBondContact O-N 3.49Å |
| 228 | V | 59.6 | Low | 57.3 | Low | 93 Ų | 93 | 105.5 Ų | 105.5 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.5 | -41.3 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | S224 E225 E226 G231 L232 | S224-V228 WeakPolarHBondContact O-CG2 3.09Å; S224-V228 PolarHBondContact O-N 2.72Å; E225-V228 PolarHBondContact O-N 2.78Å; E226-V228 PolarHBondContact O-N 3.22Å; V228-G231 PolarHBondContact O-N 3.4Å; V228-L232 HydrophobicContact CG1-CD1 4.24Å; V228-L232 PolarHBondContact O-N 3.1Å; V228-L232 VanDerWaalsContact O-N 3.13Å |
| 229 | K | 57.9 | Low | 57.3 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64 | -41.8 | 176.8 | -72.8 | 160.3 | -170 | 156.7 | 0 | 111.8 | E225 E226 L232 A233 | E225-K229 VanDerWaalsContact CD-NZ 3.28Å; E225-K229 WeakPolarHBondContact O-CB 2.96Å; E225-K229 WeakPolarHBondContact O-CD 3.48Å; E225-K229 VanDerWaalsContact O-CG 3.27Å; E225-K229 WeakPolarHBondContact O-CG 3.34Å; E225-K229 PolarHBondContact O-N 3.25Å; E225-K229 IonicContact OE1-NZ 2.57Å; E225-K229 PolarHBondContact OE1-NZ 3.09Å; E225-K229 IonicContact OE2-NZ 3.47Å; E226-K229 PolarHBondContact O-N 3.12Å; K229-L232 PolarHBondContact O-N 2.93Å; K229-A233 WeakPolarHBondContact O-CB 3.49Å; K229-A233 PolarHBondContact O-N 2.57Å; K229-A233 VanDerWaalsContact O-N 3.12Å |
| 230 | L | 58.1 | Low | 57.3 | Low | 123 Ų | 123 | 113 Ų | 113 | 64% | 0.644 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.8 | -38.9 | 175.9 | -70.4 | 169 | 0 | 0 | 0 | 112.8 | E226 L232 A233 S234 | E226-L230 WeakPolarHBondContact O-CG 3.21Å; E226-L230 PolarHBondContact O-N 2.61Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 3.41Å; L230-A233 PolarHBondContact O-N 2.86Å; L230-S234 WeakPolarHBondContact O-CB 3.41Å; L230-S234 PolarHBondContact O-N 3.09Å; L230-S234 VanDerWaalsContact O-N 3.1Å |
| 231 | G | 58.3 | Low | 57.5 | Low | 47 Ų | 47 | 108.6 Ų | 108.6 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.5 | -34.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K227 V228 | K227-G231 PolarHBondContact O-N 3.49Å; V228-G231 PolarHBondContact O-N 3.4Å |
| 232 | L | 56.9 | Low | 57.7 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.2 | -33.7 | 174.1 | -73.7 | 166.8 | 0 | 0 | 0 | 113 | V228 K229 L230 S234 | V228-L232 HydrophobicContact CG1-CD1 4.24Å; V228-L232 PolarHBondContact O-N 3.1Å; V228-L232 VanDerWaalsContact O-N 3.13Å; K229-L232 PolarHBondContact O-N 2.93Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 3.41Å; L232-S234 VanDerWaalsContact C-N 3.32Å |
| 233 | A | 57.5 | Low | 57.6 | Low | 82 Ų | 82 | 111.3 Ų | 111.3 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.2 | -18.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | K229 L230 | K229-A233 WeakPolarHBondContact O-CB 3.49Å; K229-A233 PolarHBondContact O-N 2.57Å; K229-A233 VanDerWaalsContact O-N 3.12Å; L230-A233 PolarHBondContact O-N 2.86Å |
| 234 | S | 60.8 | Low | 57.5 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 6.9 | -176 | -171 | 0 | 0 | 0 | 0 | 114.6 | L230 L232 | L230-S234 WeakPolarHBondContact O-CB 3.41Å; L230-S234 PolarHBondContact O-N 3.09Å; L230-S234 VanDerWaalsContact O-N 3.1Å; L232-S234 VanDerWaalsContact C-N 3.32Å |
| 235 | N | 56.3 | Low | 57.5 | Low | 141 Ų | 141 | 117 Ų | 117 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | trans | -135.2 | 35.2 | -168.5 | -159.9 | 37.6 | 0 | 0 | 0 | 113.6 | ||||
| 236 | N | 48.5 | Very low | 57.3 | Low | 229 Ų | 229 | 118.6 Ų | 118.6 | 100% | 1.225 | 67% | 0.667 | S | S | * | * | trans | -140.1 | 0 | 171.5 | -88.9 | -33.5 | 0 | 0 | 0 | 109.1 |
Retrieved 236 of 236 residues in 278.7 ms
(Link to these results)