| 1 | M | 50.2 | Low | 52.9 | Low | 209 Ų | 209 | 108.1 Ų | 108.1 | 100% | 1.03 | 57% | 0.569 | S | S | * | * | | | | 0 | -38 | 0 | -152.6 | 169.3 | 161.2 | 0 | 0 | 113.1 | I3 | M1-I3 PolarHBondContact O-N 3.45Š|
| 2 | V | 44.2 | Very low | 53.7 | Low | 106 Ų | 106 | 105.2 Ų | 105.2 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -32.9 | -179 | -175.8 | 0 | 0 | 0 | 0 | 114.5 | N4 I5 K6 | V2-N4 VanDerWaalsContact C-N 3.31Å; V2-N4 PolarHBondContact O-N 3.03Å; V2-I5 PolarHBondContact O-N 2.8Å; V2-K6 PolarHBondContact O-N 2.89Å |
| 3 | I | 46.7 | Very low | 54.3 | Low | 111 Ų | 111 | 102.6 Ų | 102.6 | 57% | 0.569 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -35.9 | -178.3 | -69.7 | 165.1 | 0 | 0 | 0 | 112.2 | M1 I5 K6 L7 | M1-I3 PolarHBondContact O-N 3.45Å; I3-I5 VanDerWaalsContact C-N 3.32Å; I3-I5 PolarHBondContact O-N 3.15Å; I3-K6 PolarHBondContact O-N 2.77Å; I3-L7 PolarHBondContact O-N 3.26Å; I3-L7 VanDerWaalsContact O-N 3.11Å |
| 4 | N | 45.7 | Very low | 54.7 | Low | 120 Ų | 120 | 99.9 Ų | 99.9 | 64% | 0.642 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69 | -30.6 | -179.1 | -72 | -12.3 | 0 | 0 | 0 | 112.6 | V2 L8 | V2-N4 VanDerWaalsContact C-N 3.31Å; V2-N4 PolarHBondContact O-N 3.03Å; N4-L8 WeakPolarHBondContact O-CB 3.13Å; N4-L8 PolarHBondContact O-N 2.75Å |
| 5 | I | 52.9 | Low | 54.8 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 61% | 0.605 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.4 | -42.1 | 178.1 | -65.3 | 169.6 | 0 | 0 | 0 | 110.5 | V2 I3 L8 S9 | V2-I5 PolarHBondContact O-N 2.8Å; I3-I5 VanDerWaalsContact C-N 3.32Å; I3-I5 PolarHBondContact O-N 3.15Å; I5-L8 PolarHBondContact O-N 3.31Å; I5-S9 WeakPolarHBondContact O-CB 3.27Å; I5-S9 PolarHBondContact O-N 2.98Å |
| 6 | K | 46.5 | Very low | 54.7 | Low | 150 Ų | 150 | 104 Ų | 104 | 65% | 0.652 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 176.1 | -69.8 | -168.1 | 174.2 | -168.2 | 0 | 111.5 | V2 I3 L8 S9 V10 | V2-K6 PolarHBondContact O-N 2.89Å; I3-K6 PolarHBondContact O-N 2.77Å; K6-L8 VanDerWaalsContact C-N 3.33Å; K6-L8 PolarHBondContact O-N 2.68Å; K6-S9 PolarHBondContact O-N 3.37Å; K6-V10 WeakPolarHBondContact O-CG2 3.38Å; K6-V10 PolarHBondContact O-N 2.77Å |
| 7 | L | 53.5 | Low | 54.6 | Low | 54 Ų | 54 | 100.9 Ų | 100.9 | 28% | 0.283 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 177.8 | -132.9 | 93.3 | 0 | 0 | 0 | 112 | I3 V10 L11 F203 Y270 L274 | I3-L7 PolarHBondContact O-N 3.26Å; I3-L7 VanDerWaalsContact O-N 3.11Å; L7-V10 PolarHBondContact O-N 2.72Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 PolarHBondContact O-N 3.44Å; L7-F203 HydrophobicContact CD1-CZ 4Å; L7-Y270 HydrophobicContact CD1-CE1 4.28Å; L7-Y270 HydrophobicContact CD2-CE1 4.41Å; L7-L274 HydrophobicContact CD2-CD2 4.02Å |
| 8 | L | 59.8 | Low | 54.1 | Low | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 177.9 | -171.4 | 64.4 | 0 | 0 | 0 | 111.7 | N4 I5 K6 L11 C12 | N4-L8 WeakPolarHBondContact O-CB 3.13Å; N4-L8 PolarHBondContact O-N 2.75Å; I5-L8 PolarHBondContact O-N 3.31Å; K6-L8 VanDerWaalsContact C-N 3.33Å; K6-L8 PolarHBondContact O-N 2.68Å; L8-L11 PolarHBondContact O-N 2.8Å; L8-C12 WeakPolarHBondContact O-CB 3.4Å; L8-C12 PolarHBondContact O-N 3.42Å; L8-C12 PolarHBondContact O-SG 2.85Å; L8-C12 VanDerWaalsContact O-SG 3.41Å |
| 9 | S | 57.7 | Low | 53.7 | Low | 64 Ų | 64 | 96.9 Ų | 96.9 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | I5 K6 L11 C12 L13 | I5-S9 WeakPolarHBondContact O-CB 3.27Å; I5-S9 PolarHBondContact O-N 2.98Å; K6-S9 PolarHBondContact O-N 3.37Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.7Å; S9-C12 PolarHBondContact O-N 2.91Å; S9-L13 WeakPolarHBondContact O-CB 3.19Å; S9-L13 PolarHBondContact O-N 3.19Å |
| 10 | V | 61.9 | Low | 53 | Low | 54 Ų | 54 | 94 Ų | 94 | 33% | 0.327 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 175.7 | 175 | 0 | 0 | 0 | 0 | 111.1 | K6 L7 L13 F14 V199 | K6-V10 WeakPolarHBondContact O-CG2 3.38Å; K6-V10 PolarHBondContact O-N 2.77Å; L7-V10 PolarHBondContact O-N 2.72Å; V10-L13 PolarHBondContact O-N 3.03Å; V10-F14 WeakPolarHBondContact O-CB 3.36Å; V10-F14 PolarHBondContact O-N 3.11Å; V10-V199 HydrophobicContact CG2-CG2 3.66Å |
| 11 | L | 63.2 | Low | 52.3 | Low | 93 Ų | 93 | 94.1 Ų | 94.1 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.7 | -164 | 71.7 | 0 | 0 | 0 | 111.7 | L7 L8 S9 F14 T15 | L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 PolarHBondContact O-N 3.44Å; L8-L11 PolarHBondContact O-N 2.8Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.7Å; L11-F14 PolarHBondContact O-N 3.08Å; L11-T15 WeakPolarHBondContact O-CG2 3.36Å; L11-T15 PolarHBondContact O-N 2.86Å; L11-T15 PolarHBondContact O-OG1 2.55Å |
| 12 | C | 61.8 | Low | 51.5 | Low | 73 Ų | 73 | 90.2 Ų | 90.2 | 49% | 0.493 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.4 | -77.7 | 0 | 0 | 0 | 0 | 111.8 | L8 S9 F14 T15 Y16 | L8-C12 WeakPolarHBondContact O-CB 3.4Å; L8-C12 PolarHBondContact O-N 3.42Å; L8-C12 PolarHBondContact O-SG 2.85Å; L8-C12 VanDerWaalsContact O-SG 3.41Å; S9-C12 PolarHBondContact O-N 2.91Å; C12-F14 VanDerWaalsContact C-N 3.35Å; C12-F14 PolarHBondContact O-N 2.95Å; C12-T15 WeakPolarHBondContact CA-OG1 3.49Å; C12-T15 PolarHBondContact O-N 2.88Å; C12-T15 PolarHBondContact O-OG1 3.02Å; C12-Y16 WeakPolarHBondContact O-CB 2.99Å; C12-Y16 PolarHBondContact O-N 2.99Å |
| 13 | L | 62 | Low | 51.1 | Low | 72 Ų | 72 | 92 Ų | 92 | 38% | 0.377 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.8 | -89.3 | 151.3 | 0 | 0 | 0 | 111.5 | S9 V10 T15 Y16 V17 L192 | S9-L13 WeakPolarHBondContact O-CB 3.19Å; S9-L13 PolarHBondContact O-N 3.19Å; V10-L13 PolarHBondContact O-N 3.03Å; L13-T15 PolarHBondContact O-N 3.23Å; L13-Y16 PolarHBondContact O-N 2.83Å; L13-V17 WeakPolarHBondContact O-CB 3.04Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 3.49Å; L13-L192 HydrophobicContact CD2-CD1 4.24Å |
| 14 | F | 60.2 | Low | 50.4 | Low | 65 Ų | 65 | 88.8 Ų | 88.8 | 29% | 0.285 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 176.9 | -172.4 | -103.7 | 0 | 0 | 0 | 112 | V10 L11 C12 Y16 N18 L277 | V10-F14 WeakPolarHBondContact O-CB 3.36Å; V10-F14 PolarHBondContact O-N 3.11Å; L11-F14 PolarHBondContact O-N 3.08Å; C12-F14 VanDerWaalsContact C-N 3.35Å; C12-F14 PolarHBondContact O-N 2.95Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; F14-N18 WeakPolarHBondContact CD1-ND2 3.4Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.44Å; F14-N18 WeakPolarHBondContact CZ-ND2 3.48Å; F14-N18 WeakPolarHBondContact O-CB 3.2Å; F14-N18 PolarHBondContact O-N 3.23Å; F14-N18 PolarHBondContact O-ND2 2.8Å; F14-L277 HydrophobicContact CD1-CD2 4.46Å; F14-L277 HydrophobicContact CE1-CD1 4.31Å; F14-L277 HydrophobicContact CE1-CD2 4.12Å; F14-L277 HydrophobicContact CE2-CD1 4.09Å; F14-L277 HydrophobicContact CZ-CD1 3.68Å; F14-L277 HydrophobicContact CZ-CD2 4.21Å; F14-L277 HydrophobicContact CZ-CG 4.46Å |
| 15 | T | 55.9 | Low | 49.7 | Very low | 84 Ų | 84 | 88.8 Ų | 88.8 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | L11 C12 L13 A19 | L11-T15 WeakPolarHBondContact O-CG2 3.36Å; L11-T15 PolarHBondContact O-N 2.86Å; L11-T15 PolarHBondContact O-OG1 2.55Å; C12-T15 WeakPolarHBondContact CA-OG1 3.49Å; C12-T15 PolarHBondContact O-N 2.88Å; C12-T15 PolarHBondContact O-OG1 3.02Å; L13-T15 PolarHBondContact O-N 3.23Å; T15-A19 VanDerWaalsContact O-CB 3.3Å; T15-A19 WeakPolarHBondContact O-CB 3.5Å; T15-A19 PolarHBondContact O-N 3.27Å |
| 16 | Y | 53.4 | Low | 48.8 | Very low | 181 Ų | 181 | 87.4 Ų | 87.4 | 71% | 0.71 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.9 | -45.4 | 177.8 | -173.7 | -94.4 | 0 | 0 | 0 | 111.7 | C12 L13 F14 A19 G20 | C12-Y16 WeakPolarHBondContact O-CB 2.99Å; C12-Y16 PolarHBondContact O-N 2.99Å; L13-Y16 PolarHBondContact O-N 2.83Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; Y16-A19 PolarHBondContact O-N 3.27Å; Y16-G20 PolarHBondContact O-N 2.73Å |
| 17 | V | 52.9 | Low | 48.2 | Very low | 52 Ų | 52 | 86.2 Ų | 86.2 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 110 | L13 A19 G20 L21 L192 | L13-V17 WeakPolarHBondContact O-CB 3.04Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 3.49Å; V17-A19 PolarHBondContact O-N 2.88Å; V17-G20 PolarHBondContact O-N 2.89Å; V17-L21 WeakPolarHBondContact O-CB 3.46Å; V17-L21 PolarHBondContact O-N 2.94Å; V17-L192 HydrophobicContact CG2-CD2 4.43Å |
| 18 | N | 46.4 | Very low | 47.3 | Very low | 71 Ų | 71 | 92.4 Ų | 92.4 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 175.7 | -79.3 | -25.2 | 0 | 0 | 0 | 112.4 | F14 G20 L22 | F14-N18 WeakPolarHBondContact CD1-ND2 3.4Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.44Å; F14-N18 WeakPolarHBondContact CZ-ND2 3.48Å; F14-N18 WeakPolarHBondContact O-CB 3.2Å; F14-N18 PolarHBondContact O-N 3.23Å; F14-N18 PolarHBondContact O-ND2 2.8Å; N18-G20 VanDerWaalsContact C-N 3.34Å; N18-L22 VanDerWaalsContact O-CB 3.22Å; N18-L22 WeakPolarHBondContact O-CB 3.25Å; N18-L22 PolarHBondContact O-N 3.23Å |
| 19 | A | 45 | Very low | 45.9 | Very low | 55 Ų | 55 | 89.4 Ų | 89.4 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T15 Y16 V17 K23 | T15-A19 VanDerWaalsContact O-CB 3.3Å; T15-A19 WeakPolarHBondContact O-CB 3.5Å; T15-A19 PolarHBondContact O-N 3.27Å; Y16-A19 PolarHBondContact O-N 3.27Å; V17-A19 PolarHBondContact O-N 2.88Å; A19-K23 WeakPolarHBondContact O-CG 3.43Å; A19-K23 PolarHBondContact O-N 2.8Å; A19-K23 VanDerWaalsContact O-N 3.12Å |
| 20 | G | 40.4 | Very low | 44.4 | Very low | 38 Ų | 38 | 92.2 Ų | 92.2 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.3 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y16 V17 N18 K23 A24 | Y16-G20 PolarHBondContact O-N 2.73Å; V17-G20 PolarHBondContact O-N 2.89Å; N18-G20 VanDerWaalsContact C-N 3.34Å; G20-K23 CarbonylContact O-C 3.6Å; G20-K23 PolarHBondContact O-N 3.13Å; G20-A24 WeakPolarHBondContact O-CB 2.94Å; G20-A24 PolarHBondContact O-N 2.67Å |
| 21 | L | 37.3 | Very low | 42.6 | Very low | 97 Ų | 97 | 92.9 Ų | 92.9 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.9 | -36.7 | 177.2 | -152.1 | 87.9 | 0 | 0 | 0 | 110.6 | V17 K23 A24 L25 | V17-L21 WeakPolarHBondContact O-CB 3.46Å; V17-L21 PolarHBondContact O-N 2.94Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-A24 PolarHBondContact O-N 3.22Å; L21-L25 HydrophobicContact CD2-CD1 4.08Å; L21-L25 HydrophobicContact CG-CD1 3.8Å; L21-L25 WeakPolarHBondContact O-CB 3.21Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 PolarHBondContact O-N 3.05Å |
| 22 | L | 34.9 | Very low | 40.9 | Very low | 126 Ų | 126 | 94 Ų | 94 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65 | -39.7 | 172.1 | -146.3 | 77.4 | 0 | 0 | 0 | 110.6 | N18 T26 | N18-L22 VanDerWaalsContact O-CB 3.22Å; N18-L22 WeakPolarHBondContact O-CB 3.25Å; N18-L22 PolarHBondContact O-N 3.23Å; L22-T26 VanDerWaalsContact O-CB 3.24Å; L22-T26 WeakPolarHBondContact O-CB 3.12Å; L22-T26 PolarHBondContact O-N 3.01Å; L22-T26 PolarHBondContact O-OG1 3.25Å |
| 23 | K | 35.6 | Very low | 39.2 | Very low | 143 Ų | 143 | 95.3 Ų | 95.3 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.6 | -42.4 | 172.2 | -77.6 | -179.5 | 178.2 | -175.7 | 0 | 111.9 | A19 G20 L21 T26 I27 | A19-K23 WeakPolarHBondContact O-CG 3.43Å; A19-K23 PolarHBondContact O-N 2.8Å; A19-K23 VanDerWaalsContact O-N 3.12Å; G20-K23 CarbonylContact O-C 3.6Å; G20-K23 PolarHBondContact O-N 3.13Å; L21-K23 VanDerWaalsContact C-N 3.33Å; K23-T26 CarbonylContact O-C 3.57Å; K23-T26 PolarHBondContact O-N 3.05Å; K23-I27 HydrophobicContact CB-CD1 4.12Å; K23-I27 WeakPolarHBondContact O-CB 3.33Å; K23-I27 VanDerWaalsContact O-CD1 3.25Å; K23-I27 WeakPolarHBondContact O-CD1 3.29Å; K23-I27 WeakPolarHBondContact O-CG1 3.35Å; K23-I27 PolarHBondContact O-N 2.84Å |
| 24 | A | 31.9 | Very low | 37.5 | Very low | 44 Ų | 44 | 100.5 Ų | 100.5 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G20 L21 T26 I27 E28 | G20-A24 WeakPolarHBondContact O-CB 2.94Å; G20-A24 PolarHBondContact O-N 2.67Å; L21-A24 PolarHBondContact O-N 3.22Å; A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 PolarHBondContact O-N 3.41Å; A24-I27 PolarHBondContact O-N 2.75Å; A24-E28 WeakPolarHBondContact O-CB 3.29Å; A24-E28 PolarHBondContact O-N 3.4Å |
| 25 | L | 31.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 103.6 Ų | 103.6 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.3 | -28.7 | 172.9 | -91.3 | 100.7 | 0 | 0 | 0 | 113.1 | L21 G29 | L21-L25 HydrophobicContact CD2-CD1 4.08Å; L21-L25 HydrophobicContact CG-CD1 3.8Å; L21-L25 WeakPolarHBondContact O-CB 3.21Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 PolarHBondContact O-N 3.05Å; L25-G29 PolarHBondContact O-N 3.09Å |
| 26 | T | 33 | Very low | 34.4 | Very low | 90 Ų | 90 | 105.7 Ų | 105.7 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80.1 | -26.6 | 175.3 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | L22 K23 A24 | L22-T26 VanDerWaalsContact O-CB 3.24Å; L22-T26 WeakPolarHBondContact O-CB 3.12Å; L22-T26 PolarHBondContact O-N 3.01Å; L22-T26 PolarHBondContact O-OG1 3.25Å; K23-T26 CarbonylContact O-C 3.57Å; K23-T26 PolarHBondContact O-N 3.05Å; A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 PolarHBondContact O-N 3.41Å |
| 27 | I | 35 | Very low | 33 | Very low | 124 Ų | 124 | 104.5 Ų | 104.5 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -90.7 | -30.4 | -179 | -65.6 | 163.7 | 0 | 0 | 0 | 111.8 | K23 A24 G29 | K23-I27 HydrophobicContact CB-CD1 4.12Å; K23-I27 WeakPolarHBondContact O-CB 3.33Å; K23-I27 VanDerWaalsContact O-CD1 3.25Å; K23-I27 WeakPolarHBondContact O-CD1 3.29Å; K23-I27 WeakPolarHBondContact O-CG1 3.35Å; K23-I27 PolarHBondContact O-N 2.84Å; A24-I27 PolarHBondContact O-N 2.75Å; I27-G29 VanDerWaalsContact C-N 3.27Å |
| 28 | E | 33.5 | Very low | 31.8 | Very low | 185 Ų | 185 | 107.8 Ų | 107.8 | 86% | 0.864 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 2.7 | 170.4 | -70.8 | -163.7 | 149.4 | 0 | 0 | 113.5 | A24 | A24-E28 WeakPolarHBondContact O-CB 3.29Å; A24-E28 PolarHBondContact O-N 3.4Å |
| 29 | G | 29.8 | Very low | 30.7 | Very low | 46 Ų | 46 | 111.3 Ų | 111.3 | 47% | 0.474 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130 | 47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L25 I27 | L25-G29 PolarHBondContact O-N 3.09Å; I27-G29 VanDerWaalsContact C-N 3.27Å |
| 30 | T | 26.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | | | trans | 164.5 | 72.1 | 154.9 | 34.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 31 | S | 24.5 | Very low | 29.1 | Very low | 69 Ų | 69 | 122.4 Ų | 122.4 | 48% | 0.483 | 68% | 0.682 | S | S | . | * | | | trans | -98.3 | 121 | 147.7 | 177.2 | 0 | 0 | 0 | 0 | 106.1 | V33 | S31-V33 PolarHBondContact O-N 2.94Š|
| 32 | P | 26.7 | Very low | 28.6 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | | | trans | -68 | 91.2 | 168.1 | 29.4 | -28.4 | 0 | 0 | 0 | 106.1 | E34 | P32-E34 VanDerWaalsContact C-N 3.25Å; P32-E34 PolarHBondContact O-N 2.85Å |
| 33 | V | 27.7 | Very low | 28.2 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | | | trans | -61.7 | 102.4 | 159.3 | 173.7 | 0 | 0 | 0 | 0 | 104.7 | S31 N35 | S31-V33 PolarHBondContact O-N 2.94Å; V33-N35 HydrophobicContact CG1-CB 4.25Å; V33-N35 PolarHBondContact O-N 3.42Å |
| 34 | E | 25.9 | Very low | 27.7 | Very low | 182 Ų | 182 | 124.2 Ų | 124.2 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | | | trans | -53 | 90.5 | 158.2 | -70.1 | -171.5 | 143.1 | 0 | 0 | 107.6 | P32 | P32-E34 VanDerWaalsContact C-N 3.25Å; P32-E34 PolarHBondContact O-N 2.85Å |
| 35 | N | 26.2 | Very low | 27.4 | Very low | 129 Ų | 129 | 127 Ų | 127 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | | | trans | -160.1 | 92.4 | 156.4 | -87.1 | -33.4 | 0 | 0 | 0 | 106.3 | V33 | V33-N35 HydrophobicContact CG1-CB 4.25Å; V33-N35 PolarHBondContact O-N 3.42Å |
| 36 | T | 24.3 | Very low | 27 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | 21.3 | 120.4 | 140 | 51.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 37 | D | 24.8 | Very low | 26.7 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 93.6 | 115 | 172.9 | -69.4 | -29.1 | 0 | 0 | 0 | 116.8 | | |
| 38 | S | 26.4 | Very low | 26.1 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | | | trans | 90.1 | 69.2 | 167 | 73.4 | 0 | 0 | 0 | 0 | 119.5 | Q40 | S38-Q40 PolarHBondContact O-N 3.14Š|
| 39 | V | 24.4 | Very low | 25.6 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 87% | 0.873 | 72% | 0.721 | S | S | * | * | | | trans | -78 | 107.3 | 159.5 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 40 | Q | 26.7 | Very low | 25.4 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | | | trans | -114.1 | 107.9 | 159.5 | -92.7 | -154.7 | -9.3 | 0 | 0 | 110.8 | S38 V42 | S38-Q40 PolarHBondContact O-N 3.14Å; Q40-V42 PolarHBondContact O-N 3.41Å |
| 41 | E | 25.2 | Very low | 25.2 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | trans | -68.3 | 104 | 176.3 | -165.5 | -169 | 172.3 | 0 | 0 | 110.5 | K43 | E41-K43 PolarHBondContact O-N 3Å; E41-K43 IonicContact OE1-NZ 3.66Å; E41-K43 PolarHBondContact OE1-NZ 3.26Å; E41-K43 IonicContact OE2-NZ 2.72Å |
| 42 | V | 26.3 | Very low | 25.3 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | | | trans | -88.3 | 89.4 | 170.2 | -173 | 0 | 0 | 0 | 0 | 108.5 | Q40 S44 | Q40-V42 PolarHBondContact O-N 3.41Å; V42-S44 PolarHBondContact O-N 2.71Å |
| 43 | K | 27.1 | Very low | 25.2 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 68% | 0.683 | 75% | 0.752 | S | S | * | * | | | trans | -60.9 | 118.2 | 166.2 | -85.1 | -178.7 | 168.4 | 73.3 | 0 | 109.5 | E41 S45 | E41-K43 PolarHBondContact O-N 3Å; E41-K43 IonicContact OE1-NZ 3.66Å; E41-K43 PolarHBondContact OE1-NZ 3.26Å; E41-K43 IonicContact OE2-NZ 2.72Å; K43-S45 PolarHBondContact O-N 3.01Å |
| 44 | S | 24.6 | Very low | 25.1 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -59.7 | 111.1 | 168.5 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | V42 | V42-S44 PolarHBondContact O-N 2.71Š|
| 45 | S | 25.2 | Very low | 25.1 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -95.3 | 96.1 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | K43 V47 | K43-S45 PolarHBondContact O-N 3.01Å; S45-V47 PolarHBondContact O-N 3.41Å |
| 46 | I | 22.8 | Very low | 25 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 55% | 0.549 | 76% | 0.761 | S | S | . | * | | | trans | -61.3 | 117 | 162 | -59 | 157.6 | 0 | 0 | 0 | 107.4 | | |
| 47 | V | 25.8 | Very low | 25.1 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -117.2 | 98.9 | 167.6 | -179.4 | 0 | 0 | 0 | 0 | 108 | S45 | S45-V47 PolarHBondContact O-N 3.41Š|
| 48 | S | 23.5 | Very low | 25.1 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | | | trans | -64.3 | 143.3 | 161.5 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 49 | D | 22 | Very low | 25.1 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | trans | 31.8 | 111 | 148.4 | -67.3 | -24.1 | 0 | 0 | 0 | 118.9 | | |
| 50 | V | 25.6 | Very low | 25.2 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | -134.3 | 103.9 | 134.7 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | T52 | V50-T52 HydrophobicContact CG1-CG2 4.36Š|
| 51 | V | 23.4 | Very low | 25.1 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | trans | -57.7 | 126.4 | 159 | 171.7 | 0 | 0 | 0 | 0 | 109 | E53 | V51-E53 HydrophobicContact CG1-CG 4.2Š|
| 52 | T | 27.2 | Very low | 25.4 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -136.2 | 98 | 150 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | V50 | V50-T52 HydrophobicContact CG1-CG2 4.36Š|
| 53 | E | 23.5 | Very low | 25.4 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -58.8 | 136.5 | 156.6 | -62.1 | 179.8 | 153.4 | 0 | 0 | 109.5 | V51 | V51-E53 HydrophobicContact CG1-CG 4.2Š|
| 54 | S | 25.6 | Very low | 25.8 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -171.5 | 89.8 | 150.4 | -159.6 | 0 | 0 | 0 | 0 | 106 | | |
| 55 | E | 26.1 | Very low | 26 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | | 60.5 | 111.5 | 92.8 | -71.8 | -164.2 | 150.7 | 0 | 0 | 113.7 | | |
| 56 | E | 24.9 | Very low | 26.6 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | 62.4 | 150.6 | 140.8 | -53 | -175.4 | 143.4 | 0 | 0 | 116.5 | | |
| 57 | S | 26.5 | Very low | 27.1 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | cis | -167.3 | 138.5 | 22.9 | 90.1 | 0 | 0 | 0 | 0 | 105.3 | | |
| 58 | L | 24.8 | Very low | 27.6 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | | 90.4 | 121.5 | 106.7 | -150.6 | 80.1 | 0 | 0 | 0 | 115.9 | | |
| 59 | I | 25.9 | Very low | 28.1 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | trans | -51 | 139 | 172.4 | -58 | 146.7 | 0 | 0 | 0 | 112.6 | | |
| 60 | T | 26.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -159.7 | 118.5 | 137.4 | -23.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 61 | T | 25 | Very low | 28.7 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -78.5 | 134.8 | 164 | 43.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 62 | T | 30 | Very low | 29.2 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | -142.8 | 117.4 | 160.1 | -36.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 63 | N | 27.5 | Very low | 29.1 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -72.3 | 137.9 | 167.6 | -75.3 | -30.2 | 0 | 0 | 0 | 110 | | |
| 64 | E | 35.5 | Very low | 29.4 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -148.8 | 95.9 | 153 | -117 | -179.4 | -178.7 | 0 | 0 | 110.8 | | |
| 65 | D | 28.7 | Very low | 29.4 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | | | trans | 19 | 126.8 | 136 | -153.9 | 1.5 | 0 | 0 | 0 | 120.4 | H67 | D65-H67 IonicContact OD1-CD2 3.85Š|
| 66 | S | 38.4 | Very low | 29.4 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | | -171.3 | 107.2 | 127.3 | 32.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 67 | H | 31.7 | Very low | 29.6 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | | | trans | -17 | 135.7 | 157.3 | -74.8 | -81.1 | 0 | 0 | 0 | 119.4 | D65 | D65-H67 IonicContact OD1-CD2 3.85Š|
| 68 | K | 37.8 | Very low | 29.5 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | | -168.6 | 132.9 | 106.2 | -116.1 | 177.2 | 179.2 | 176.3 | 0 | 114.2 | | |
| 69 | E | 33.8 | Very low | 29.4 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | trans | -57.7 | 149.3 | 174.6 | -65.2 | 169.9 | 128.4 | 0 | 0 | 114.1 | | |
| 70 | G | 33.1 | Very low | 29.3 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | 179 | 82.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 71 | T | 26.4 | Very low | 29.1 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | | | trans | -63.4 | 135.1 | 176.7 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 72 | S | 33.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -174 | 115.4 | 153.5 | -75.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 73 | S | 25 | Very low | 28.6 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -46.7 | 131.6 | 174.1 | 49.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 74 | S | 31.3 | Very low | 28.3 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -158.9 | 128.5 | 151.1 | -75.2 | 0 | 0 | 0 | 0 | 109.5 | S76 | S74-S76 PolarHBondContact O-N 3.45Š|
| 75 | N | 24.6 | Very low | 27.7 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | | | trans | -55.9 | 121.2 | -176.6 | -55.5 | -22.5 | 0 | 0 | 0 | 111.5 | | |
| 76 | S | 27.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -171.7 | 93.3 | 168.3 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | S74 | S74-S76 PolarHBondContact O-N 3.45Š|
| 77 | S | 27.6 | Very low | 26.7 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -83.4 | 135.8 | 155.4 | 20.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 78 | E | 25.5 | Very low | 26.2 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | cis | -161.6 | 125.2 | -6.5 | -173 | 171.1 | 140.8 | 0 | 0 | 103.6 | | |
| 79 | S | 21.6 | Very low | 25.5 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | | | trans | -103.5 | 120.8 | 177.9 | 156.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 80 | T | 24.9 | Very low | 24.9 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -115.5 | 125.2 | 162.2 | -43.3 | 0 | 0 | 0 | 0 | 110 | | |
| 81 | T | 21.7 | Very low | 24.4 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | | | trans | -80.1 | 148.8 | -164.7 | 23.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 82 | V | 21.9 | Very low | 24.3 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 83.1 | 108.8 | 135.1 | 177.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 83 | A | 21.8 | Very low | 23.8 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | | -165.2 | 111.5 | 107.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V85 | A83-V85 PolarHBondContact O-N 3Š|
| 84 | G | 21.2 | Very low | 23.8 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | -69.2 | 123.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 85 | V | 23.7 | Very low | 23.4 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | trans | -113.8 | 117.5 | 165.4 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | A83 N87 | A83-V85 PolarHBondContact O-N 3Å; V85-N87 PolarHBondContact O-N 3.08Å |
| 86 | A | 23.1 | Very low | 23.4 | Very low | 78 Ų | 78 | 123.7 Ų | 123.7 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | trans | -62.2 | 123.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | I88 | A86-I88 HydrophobicContact CB-CG1 4.39Å; A86-I88 PolarHBondContact O-N 3.13Å |
| 87 | N | 22.5 | Very low | 23.3 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | trans | -67.7 | 98.3 | 161.4 | -77.7 | -8.7 | 0 | 0 | 0 | 107.8 | V85 E89 | V85-N87 PolarHBondContact O-N 3.08Å; N87-E89 PolarHBondContact O-N 2.87Å |
| 88 | I | 22.2 | Very low | 23.3 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | -83.6 | 94.6 | 169.4 | -56.9 | 176.8 | 0 | 0 | 0 | 107 | A86 T90 | A86-I88 HydrophobicContact CB-CG1 4.39Å; A86-I88 PolarHBondContact O-N 3.13Å; I88-T90 PolarHBondContact O-N 3.38Å; I88-T90 VanDerWaalsContact O-N 3.13Å |
| 89 | E | 22.2 | Very low | 23.4 | Very low | 178 Ų | 178 | 124 Ų | 124 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -69.9 | 97.7 | 166.9 | -163.1 | 174.5 | -152.2 | 0 | 0 | 107.8 | N87 V91 | N87-E89 PolarHBondContact O-N 2.87Å; E89-V91 HydrophobicContact CG-CG2 4.48Å; E89-V91 PolarHBondContact O-N 2.96Å |
| 90 | T | 22.8 | Very low | 23.6 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -92.9 | 92.7 | 178.9 | -41.2 | 0 | 0 | 0 | 0 | 108.7 | I88 V92 | I88-T90 PolarHBondContact O-N 3.38Å; I88-T90 VanDerWaalsContact O-N 3.13Å; T90-V92 HydrophobicContact CG2-CG2 3.56Å; T90-V92 PolarHBondContact O-N 3.4Å |
| 91 | V | 22.3 | Very low | 23.7 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -78.6 | 104.5 | 167.5 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | E89 | E89-V91 HydrophobicContact CG-CG2 4.48Å; E89-V91 PolarHBondContact O-N 2.96Å |
| 92 | V | 23.3 | Very low | 23.9 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | | | trans | -105.6 | 102.2 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | T90 L94 | T90-V92 HydrophobicContact CG2-CG2 3.56Å; T90-V92 PolarHBondContact O-N 3.4Å; V92-L94 HydrophobicContact CG1-CD1 3.58Å; V92-L94 HydrophobicContact CG1-CG 3.73Å |
| 93 | N | 23.4 | Very low | 24.3 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -91.6 | 114.5 | 172.7 | -171.3 | 21 | 0 | 0 | 0 | 108.7 | | |
| 94 | L | 24.9 | Very low | 24.7 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -135.6 | 92 | 178.3 | -70.1 | 173.4 | 0 | 0 | 0 | 110.9 | V92 | V92-L94 HydrophobicContact CG1-CD1 3.58Å; V92-L94 HydrophobicContact CG1-CG 3.73Å |
| 95 | T | 22.4 | Very low | 24.9 | Very low | 126 Ų | 126 | 137 Ų | 137 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -71.7 | 123.2 | 161.8 | 48.3 | 0 | 0 | 0 | 0 | 110 | | |
| 96 | S | 26.2 | Very low | 25.6 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -161.7 | 115.6 | 165.2 | -109.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 97 | N | 24.9 | Very low | 25.9 | Very low | 168 Ų | 168 | 140 Ų | 140 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 138.9 | 178.1 | -68.9 | -25 | 0 | 0 | 0 | 112 | | |
| 98 | P | 27.1 | Very low | 26.5 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 160.9 | 164.1 | 34.9 | -26 | 0 | 0 | 0 | 112.7 | | |
| 99 | P | 27.4 | Very low | 27 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 147.3 | -160.8 | 34.5 | -33.4 | 0 | 0 | 0 | 114.4 | | |
| 100 | E | 25.2 | Very low | 27.7 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136.1 | 172.7 | -75.7 | 174.1 | 122.9 | 0 | 0 | 112.8 | | |
| 101 | S | 28.5 | Very low | 28.1 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -144.4 | 103.2 | 161.6 | 168.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 102 | T | 24.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | -69.4 | 130.9 | 173.5 | 26.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 103 | I | 30.4 | Very low | 29.1 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | | | trans | -138 | 120.8 | 153.2 | -59.1 | -176.8 | 0 | 0 | 0 | 108.7 | | |
| 104 | E | 29.8 | Very low | 29.4 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | | | trans | -71.7 | 140.9 | -176.4 | -62.5 | 176.3 | 146.3 | 0 | 0 | 112.5 | | |
| 105 | T | 26.4 | Very low | 29.4 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 85% | 0.847 | 83% | 0.832 | S | S | * | * | | | trans | -80.9 | 143.5 | 164.7 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 106 | S | 38 | Very low | 29.6 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | | | trans | -135.3 | 127.6 | 161.6 | 39 | 0 | 0 | 0 | 0 | 110.3 | | |
| 107 | D | 28.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | | | trans | -65.5 | 146.3 | 179.1 | -53.4 | -57.7 | 0 | 0 | 0 | 111.9 | | |
| 108 | N | 36.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | | | trans | -164.7 | 130.7 | 134.2 | -110 | -19.2 | 0 | 0 | 0 | 113.2 | | |
| 109 | E | 31.2 | Very low | 29.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | | | trans | -61.2 | 142.4 | 170.5 | -57.4 | -175.1 | 142.6 | 0 | 0 | 112.5 | | |
| 110 | S | 38.6 | Very low | 29 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -165.5 | 123.7 | 140.1 | -90 | 0 | 0 | 0 | 0 | 112.3 | | |
| 111 | D | 30.6 | Very low | 28.8 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | | | trans | -43.4 | 135.9 | 159.2 | -80.5 | -44.4 | 0 | 0 | 0 | 113.1 | | |
| 112 | S | 36.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | | 168.8 | 136 | 110.8 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 113 | T | 29 | Very low | 28.3 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -41.1 | 133.2 | 166.7 | 39 | 0 | 0 | 0 | 0 | 115 | | |
| 114 | D | 30.9 | Very low | 27.9 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -159 | 118.6 | 133.3 | -92.9 | -28.8 | 0 | 0 | 0 | 109.8 | | |
| 115 | N | 24.2 | Very low | 27.4 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | -75.9 | 143.2 | 167.7 | -89.4 | -24.9 | 0 | 0 | 0 | 109 | | |
| 116 | T | 26.1 | Very low | 27.2 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | | | trans | 106.3 | 93.3 | 166.7 | 70.7 | 0 | 0 | 0 | 0 | 115 | | |
| 117 | D | 26.7 | Very low | 26.4 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | | 173.3 | 119.9 | 114.8 | -87.6 | -22.1 | 0 | 0 | 0 | 111.7 | | |
| 118 | L | 22.7 | Very low | 26.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | | | trans | 7.6 | 125.1 | 144.6 | -83.9 | 145.2 | 0 | 0 | 0 | 119.3 | | |
| 119 | L | 21.9 | Very low | 25.4 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | | 92 | 107.8 | 130 | -136.7 | 75.2 | 0 | 0 | 0 | 118.5 | | |
| 120 | T | 21.8 | Very low | 25 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | | | trans | 59.5 | 106 | 142.6 | 45 | 0 | 0 | 0 | 0 | 118.7 | | |
| 121 | T | 21.6 | Very low | 24.3 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | | -161.8 | 108.7 | 116.8 | -23.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 122 | L | 21.6 | Very low | 24 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | | | trans | -118.3 | 103.9 | 155.6 | -151.7 | 79.7 | 0 | 0 | 0 | 107.3 | T124 | L122-T124 PolarHBondContact O-N 3.3Š|
| 123 | T | 20.3 | Very low | 23.3 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -64.7 | 119.4 | 166 | 31.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 124 | T | 22.2 | Very low | 23.1 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | -143.5 | 108.3 | 145.3 | -44.3 | 0 | 0 | 0 | 0 | 107.4 | L122 | L122-T124 PolarHBondContact O-N 3.3Š|
| 125 | E | 20.4 | Very low | 22.7 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -71.9 | 123.2 | 169.3 | -72.5 | 179.5 | 136.2 | 0 | 0 | 108.7 | | |
| 126 | T | 21.8 | Very low | 22.6 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -153.1 | 97.7 | 144.3 | -11.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 127 | V | 20.8 | Very low | 22.5 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -90 | 118.1 | 169 | 175.2 | 0 | 0 | 0 | 0 | 107.5 | L129 | V127-L129 HydrophobicContact CG1-CD1 4.48Š|
| 128 | T | 22.2 | Very low | 22.2 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | trans | -160.1 | 114 | 135.3 | 15.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 129 | L | 23 | Very low | 22.3 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | | | trans | -74.5 | 146.2 | 174.3 | -64.7 | 114.6 | 0 | 0 | 0 | 111.4 | V127 | V127-L129 HydrophobicContact CG1-CD1 4.48Š|
| 130 | Q | 21.3 | Very low | 22.2 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | | | trans | -173.7 | 87.8 | 133.7 | -104.8 | 175.2 | -9.8 | 0 | 0 | 111.3 | | |
| 131 | N | 25.2 | Very low | 22.3 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | | | trans | 165.2 | 92.1 | 133.8 | -85.8 | -13.7 | 0 | 0 | 0 | 109.9 | S133 | N131-S133 PolarHBondContact O-N 2.99Š|
| 132 | D | 23.8 | Very low | 22.3 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -61 | 118.3 | 172 | -78.6 | -38.1 | 0 | 0 | 0 | 112 | | |
| 133 | S | 22.1 | Very low | 22.4 | Very low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | | | trans | 179.7 | 75.6 | 135.5 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | N131 V135 | N131-S133 PolarHBondContact O-N 2.99Å; S133-V135 PolarHBondContact O-N 3.23Å |
| 134 | V | 24 | Very low | 22.6 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | | | trans | -78.8 | 98.5 | 159.6 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | Q136 | V134-Q136 PolarHBondContact O-N 2.69Å; V134-Q136 VanDerWaalsContact O-N 3.17Å |
| 135 | V | 22.8 | Very low | 22.8 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 66% | 0.655 | 76% | 0.764 | S | S | * | * | | | trans | -75.4 | 99.5 | 167.1 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | S133 I137 | S133-V135 PolarHBondContact O-N 3.23Å; V135-I137 HydrophobicContact CG1-CG1 4.11Å; V135-I137 PolarHBondContact O-N 2.68Å |
| 136 | Q | 22.6 | Very low | 23.1 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -65.3 | 109.7 | 162.4 | -84.4 | -177.3 | -2.4 | 0 | 0 | 107.9 | V134 T138 | V134-Q136 PolarHBondContact O-N 2.69Å; V134-Q136 VanDerWaalsContact O-N 3.17Å; Q136-T138 VanDerWaalsContact C-N 3.35Å; Q136-T138 PolarHBondContact O-N 3.32Å |
| 137 | I | 22.6 | Very low | 23.4 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -86.1 | 87.9 | 163.7 | -55.6 | 177 | 0 | 0 | 0 | 105.7 | V135 S139 | V135-I137 HydrophobicContact CG1-CG1 4.11Å; V135-I137 PolarHBondContact O-N 2.68Å; I137-S139 PolarHBondContact O-N 3.47Å |
| 138 | T | 21.7 | Very low | 23.6 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | -80 | 101.6 | 167.1 | -25 | 0 | 0 | 0 | 0 | 106.7 | Q136 E140 | Q136-T138 VanDerWaalsContact C-N 3.35Å; Q136-T138 PolarHBondContact O-N 3.32Å; T138-E140 PolarHBondContact O-N 3.26Å |
| 139 | S | 23.8 | Very low | 23.7 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | -79.8 | 105.9 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | I137 G141 | I137-S139 PolarHBondContact O-N 3.47Å; S139-G141 VanDerWaalsContact C-N 3.31Å; S139-G141 PolarHBondContact O-N 3.36Å |
| 140 | E | 21.3 | Very low | 23.8 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -71.2 | 89.4 | 169.4 | -63.2 | -165.9 | -179.6 | 0 | 0 | 109.1 | T138 | T138-E140 PolarHBondContact O-N 3.26Š|
| 141 | G | 22.7 | Very low | 23.9 | Very low | 63 Ų | 63 | 135.9 Ų | 135.9 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | trans | -124.9 | 93.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S139 E143 | S139-G141 VanDerWaalsContact C-N 3.31Å; S139-G141 PolarHBondContact O-N 3.36Å; G141-E143 PolarHBondContact O-N 2.84Å; G141-E143 VanDerWaalsContact O-N 3.14Å |
| 142 | L | 21.7 | Very low | 23.9 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 94% | 0.942 | 77% | 0.765 | S | S | * | * | | | trans | -66.6 | 96 | -173.2 | -157.2 | 94.9 | 0 | 0 | 0 | 111.5 | | |
| 143 | E | 24.1 | Very low | 23.9 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -151.5 | 127.2 | 158.1 | -119.4 | 169 | -169.9 | 0 | 0 | 111.4 | G141 H145 | G141-E143 PolarHBondContact O-N 2.84Å; G141-E143 VanDerWaalsContact O-N 3.14Å; E143-H145 PolarHBondContact O-CD2 3.38Å; E143-H145 VanDerWaalsContact O-CD2 3.27Å; E143-H145 PolarHBondContact O-N 2.89Å |
| 144 | N | 24.3 | Very low | 24.1 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -61 | 101.7 | -172.3 | -72.7 | -42.7 | 0 | 0 | 0 | 111.7 | | |
| 145 | H | 27.6 | Very low | 24 | Very low | 152 Ų | 152 | 132 Ų | 132 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | | | trans | -126.5 | 119.9 | 170.7 | -66.4 | -69.9 | 0 | 0 | 0 | 111.2 | E143 E147 | E143-H145 PolarHBondContact O-CD2 3.38Å; E143-H145 VanDerWaalsContact O-CD2 3.27Å; E143-H145 PolarHBondContact O-N 2.89Å; H145-E147 PolarHBondContact O-N 2.85Å; H145-E147 VanDerWaalsContact O-N 3.1Å |
| 146 | T | 25.1 | Very low | 24.1 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -66.9 | 101.8 | 174.3 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | S148 | T146-S148 PolarHBondContact O-N 3.48Š|
| 147 | E | 27.8 | Very low | 24.1 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -61.2 | 106.4 | 170.1 | -162.2 | 175.3 | -161.7 | 0 | 0 | 108.2 | H145 | H145-E147 PolarHBondContact O-N 2.85Å; H145-E147 VanDerWaalsContact O-N 3.1Å |
| 148 | S | 25 | Very low | 24.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -105.1 | 100.4 | 174.6 | -65.3 | 0 | 0 | 0 | 0 | 108 | T146 S150 | T146-S148 PolarHBondContact O-N 3.48Å; S148-S150 PolarHBondContact O-N 3.36Å |
| 149 | T | 24.9 | Very low | 24.5 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -74.9 | 115.7 | 165.1 | 38.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 150 | S | 25.7 | Very low | 24.5 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -107.8 | 113.4 | 172.1 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | S148 | S148-S150 PolarHBondContact O-N 3.36Š|
| 151 | T | 23.5 | Very low | 24.6 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -88.9 | 116.3 | 171.5 | -7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 152 | V | 24.2 | Very low | 24.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -107.1 | 111.5 | 169.5 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 153 | T | 24.7 | Very low | 24.8 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -99.5 | 110.9 | 169.2 | 45.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 154 | S | 26.3 | Very low | 24.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -109.4 | 107.6 | 170.2 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | E156 | S154-E156 PolarHBondContact O-N 3.36Š|
| 155 | G | 21.8 | Very low | 24.8 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -75.7 | 115.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 156 | E | 24.5 | Very low | 24.7 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -162.2 | 89.9 | 146.8 | -153.2 | 148.5 | 123.5 | 0 | 0 | 109.3 | S154 H158 | S154-E156 PolarHBondContact O-N 3.36Å; E156-H158 PolarHBondContact O-N 3.03Å |
| 157 | N | 23.8 | Very low | 24.7 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 42.1 | 43.3 | 148.7 | -146 | 24.1 | 0 | 0 | 0 | 119 | | |
| 158 | H | 26 | Very low | 24.5 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -154.7 | 120.6 | 165.5 | -78.1 | -66.3 | 0 | 0 | 0 | 109.8 | E156 | E156-H158 PolarHBondContact O-N 3.03Š|
| 159 | T | 25.2 | Very low | 24.6 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | | | trans | 15.2 | 100.3 | 164.2 | -14.4 | 0 | 0 | 0 | 0 | 115.9 | V161 | T159-V161 PolarHBondContact O-N 2.83Š|
| 160 | D | 24.3 | Very low | 24.7 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | trans | -56.9 | 99.6 | 178.5 | -74.2 | -40.5 | 0 | 0 | 0 | 111.9 | | |
| 161 | V | 23.8 | Very low | 24.6 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | -89.2 | 104.6 | 166.4 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | T159 H163 | T159-V161 PolarHBondContact O-N 2.83Å; V161-H163 PolarHBondContact O-N 3.14Å |
| 162 | V | 22.9 | Very low | 24.9 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | trans | -67.6 | 99.5 | 168.1 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | T164 | V162-T164 PolarHBondContact O-N 3.42Š|
| 163 | H | 25.3 | Very low | 25 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | -86.9 | 102.3 | 174.5 | -137.6 | 58.7 | 0 | 0 | 0 | 109.3 | V161 E165 | V161-H163 PolarHBondContact O-N 3.14Å; H163-E165 PolarHBondContact O-N 2.93Å |
| 164 | T | 23.6 | Very low | 25.1 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | trans | -88.5 | 84.1 | 172.3 | -36.9 | 0 | 0 | 0 | 0 | 109 | V162 T166 | V162-T164 PolarHBondContact O-N 3.42Å; T164-T166 PolarHBondContact O-N 2.86Å |
| 165 | E | 25.8 | Very low | 25.1 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | trans | -74.5 | 118.8 | 170.1 | -77.4 | -170.9 | 137.2 | 0 | 0 | 110.2 | H163 V167 | H163-E165 PolarHBondContact O-N 2.93Å; E165-V167 HydrophobicContact CB-CG2 4.22Å; E165-V167 PolarHBondContact O-N 3.08Å |
| 166 | T | 24.5 | Very low | 25.5 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -92.5 | 93.1 | 167.6 | -47.3 | 0 | 0 | 0 | 0 | 107.4 | T164 I168 | T164-T166 PolarHBondContact O-N 2.86Å; T166-I168 HydrophobicContact CG2-CG1 4.49Å; T166-I168 PolarHBondContact O-N 3.32Å |
| 167 | V | 24.7 | Very low | 25.6 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | | | trans | -83.1 | 98.2 | 177.9 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | E165 S169 | E165-V167 HydrophobicContact CB-CG2 4.22Å; E165-V167 PolarHBondContact O-N 3.08Å; V167-S169 PolarHBondContact O-N 3.1Å |
| 168 | I | 24.9 | Very low | 25.7 | Very low | 147 Ų | 147 | 137 Ų | 137 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | -77.9 | 98.8 | 168.7 | -55.5 | 174.8 | 0 | 0 | 0 | 106.5 | T166 D170 | T166-I168 HydrophobicContact CG2-CG1 4.49Å; T166-I168 PolarHBondContact O-N 3.32Å; I168-D170 PolarHBondContact O-N 3.18Å |
| 169 | S | 26.8 | Very low | 25.8 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -84.4 | 100.2 | -179.6 | -62.9 | 0 | 0 | 0 | 0 | 110.3 | V167 S171 | V167-S169 PolarHBondContact O-N 3.1Å; S169-S171 PolarHBondContact O-N 2.86Å |
| 170 | D | 26.5 | Very low | 25.9 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -66.5 | 115.9 | 165.9 | -90.6 | -25.8 | 0 | 0 | 0 | 109.4 | I168 T172 | I168-D170 PolarHBondContact O-N 3.18Å; D170-T172 PolarHBondContact O-N 2.92Å |
| 171 | S | 24.3 | Very low | 26.1 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -74.8 | 85 | -179.4 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | S169 | S169-S171 PolarHBondContact O-N 2.86Š|
| 172 | T | 28.3 | Very low | 26.1 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | trans | -127.5 | 104.1 | 151.3 | 35.2 | 0 | 0 | 0 | 0 | 108.7 | D170 E174 | D170-T172 PolarHBondContact O-N 2.92Å; T172-E174 PolarHBondContact O-N 3.19Å |
| 173 | S | 26.1 | Very low | 26.3 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -59.7 | 109.3 | 177.2 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 174 | E | 28.8 | Very low | 26.4 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -141 | 122.8 | 148.5 | -111.6 | 179.2 | 177.8 | 0 | 0 | 108.5 | T172 L176 | T172-E174 PolarHBondContact O-N 3.19Å; E174-L176 PolarHBondContact O-N 2.04Å; E174-L176 VanDerWaalsContact O-N 3.15Å |
| 175 | N | 25.1 | Very low | 26.6 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | -54.7 | 108.3 | 176.5 | -177.2 | -9.6 | 0 | 0 | 0 | 109.3 | | |
| 176 | L | 30.1 | Very low | 26.7 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | -133.3 | 127.4 | 173.5 | -138.6 | 73.2 | 0 | 0 | 0 | 110.9 | E174 | E174-L176 PolarHBondContact O-N 2.04Å; E174-L176 VanDerWaalsContact O-N 3.15Å |
| 177 | D | 27.8 | Very low | 26.9 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | | | trans | -40.1 | 147.8 | -174.4 | -99 | -48.2 | 0 | 0 | 0 | 115.7 | H179 | D177-H179 PolarHBondContact O-N 2.88Š|
| 178 | N | 25.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | | | trans | -68.2 | 70.8 | 170.7 | -144.1 | 40.6 | 0 | 0 | 0 | 109.8 | | |
| 179 | H | 27.8 | Very low | 27.9 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | | | trans | -95.1 | 109.5 | 165.1 | -87.9 | -72.7 | 0 | 0 | 0 | 108.1 | D177 E181 | D177-H179 PolarHBondContact O-N 2.88Å; H179-E181 HydrophobicContact CB-CG 4.37Å; H179-E181 PolarHBondContact O-N 3.42Å |
| 180 | T | 26.5 | Very low | 28.5 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | | | trans | -59.3 | 80.2 | 159.8 | -51 | 0 | 0 | 0 | 0 | 108.3 | | |
| 181 | E | 27.7 | Very low | 29 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | trans | -83.8 | 109.3 | 162 | -68.1 | -151.1 | 137 | 0 | 0 | 106.8 | H179 | H179-E181 HydrophobicContact CB-CG 4.37Å; H179-E181 PolarHBondContact O-N 3.42Å |
| 182 | T | 24.8 | Very low | 29.9 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | | | trans | -40 | 144.7 | 157.9 | 11.2 | 0 | 0 | 0 | 0 | 109.3 | K184 | T182-K184 PolarHBondContact O-N 3.33Š|
| 183 | P | 27.3 | Very low | 30.7 | Very low | 133 Ų | 133 | 126 Ų | 126 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | | | trans | -61.5 | 86.7 | 174.7 | 24.9 | -31.5 | 0 | 0 | 0 | 109.3 | D185 | P183-D185 PolarHBondContact O-N 3.21Š|
| 184 | K | 27.3 | Very low | 32 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | | | trans | -69.6 | 84.4 | 161.7 | -87.7 | -179.8 | -179.4 | 160.2 | 0 | 105.7 | T182 | T182-K184 PolarHBondContact O-N 3.33Š|
| 185 | D | 26.7 | Very low | 33.1 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | | | | 152.5 | 120.4 | 115.3 | -106.2 | -2.2 | 0 | 0 | 0 | 108.3 | P183 N187 | P183-D185 PolarHBondContact O-N 3.21Å; D185-N187 HydrophobicContact CB-CB 3.82Å; D185-N187 PolarHBondContact O-N 3.4Å; D185-N187 PolarHBondContact OD2-ND2 2.92Å |
| 186 | A | 29 | Very low | 34.6 | Very low | 102 Ų | 102 | 112.9 Ų | 112.9 | 84% | 0.843 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 18.2 | 157 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 187 | N | 29.3 | Very low | 35.9 | Very low | 93 Ų | 93 | 105.7 Ų | 105.7 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | 18.1 | 177.8 | -73.9 | -33.3 | 0 | 0 | 0 | 114 | D185 L189 P190 | D185-N187 HydrophobicContact CB-CB 3.82Å; D185-N187 PolarHBondContact O-N 3.4Å; D185-N187 PolarHBondContact OD2-ND2 2.92Å; N187-L189 VanDerWaalsContact C-N 3.27Å; N187-P190 HydrophobicContact CB-CG 3.89Å; N187-P190 WeakPolarHBondContact O-CD 3.34Å; N187-P190 WeakPolarHBondContact O-CG 3.48Å |
| 188 | T | 33.4 | Very low | 37.5 | Very low | 112 Ų | 112 | 103.7 Ų | 103.7 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.1 | -24.3 | 167.2 | -44.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 189 | L | 36.5 | Very low | 39.1 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 176.4 | -153 | 71.2 | 0 | 0 | 0 | 114.2 | N187 R191 L192 M193 | N187-L189 VanDerWaalsContact C-N 3.27Å; L189-R191 VanDerWaalsContact C-N 3.35Å; L189-R191 PolarHBondContact O-N 3.24Å; L189-L192 PolarHBondContact O-N 3.26Å; L189-M193 PolarHBondContact O-N 2.93Å; L189-M193 VanDerWaalsContact O-N 3.08Å |
| 190 | P | 38.2 | Very low | 40.9 | Very low | 64 Ų | 64 | 90.5 Ų | 90.5 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 177.6 | 14.9 | -28.4 | 0 | 0 | 0 | 114.2 | N187 L192 M193 E194 | N187-P190 HydrophobicContact CB-CG 3.89Å; N187-P190 WeakPolarHBondContact O-CD 3.34Å; N187-P190 WeakPolarHBondContact O-CG 3.48Å; P190-L192 PolarHBondContact O-N 3.49Å; P190-M193 PolarHBondContact O-N 3.31Å; P190-E194 WeakPolarHBondContact O-CB 3.44Å; P190-E194 PolarHBondContact O-N 3.43Å |
| 191 | R | 39 | Very low | 42.7 | Very low | 195 Ų | 195 | 90.4 Ų | 90.4 | 74% | 0.736 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.4 | -34 | 176.4 | -74.9 | -170.2 | 176.5 | 178.1 | 1.8 | 113.2 | L189 A195 | L189-R191 VanDerWaalsContact C-N 3.35Å; L189-R191 PolarHBondContact O-N 3.24Å; R191-A195 WeakPolarHBondContact O-CB 3.29Å; R191-A195 PolarHBondContact O-N 3.05Å |
| 192 | L | 41.4 | Very low | 44.2 | Very low | 61 Ų | 61 | 87.6 Ų | 87.6 | 32% | 0.319 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 175.4 | -178.1 | 64 | 0 | 0 | 0 | 110.7 | L13 V17 L189 P190 E194 A195 V196 | L13-L192 HydrophobicContact CD2-CD1 4.24Å; V17-L192 HydrophobicContact CG2-CD2 4.43Å; L189-L192 PolarHBondContact O-N 3.26Å; P190-L192 PolarHBondContact O-N 3.49Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-A195 PolarHBondContact O-N 2.95Å; L192-V196 VanDerWaalsContact O-CG2 3.28Å; L192-V196 WeakPolarHBondContact O-CG2 2.99Å; L192-V196 PolarHBondContact O-N 3.3Å |
| 193 | M | 46.1 | Very low | 45.6 | Very low | 44 Ų | 44 | 84.6 Ų | 84.6 | 22% | 0.217 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 174.9 | -72.5 | -70.6 | 171.5 | 0 | 0 | 112 | L189 P190 G197 Y285 M288 | L189-M193 PolarHBondContact O-N 2.93Å; L189-M193 VanDerWaalsContact O-N 3.08Å; P190-M193 PolarHBondContact O-N 3.31Å; M193-G197 PolarHBondContact O-N 2.89Å; M193-Y285 HydrophobicContact CB-CE2 3.92Å; M193-Y285 HydrophobicContact CG-CE2 4.39Å; M193-Y285 WeakPolarHBondContact O-CE2 3.21Å; M193-Y285 PolarHBondContact O-OH 3.44Å; M193-Y285 HydrophobicContact SD-CD2 3.66Å; M193-Y285 HydrophobicContact SD-CE2 3.6Å; M193-M288 HydrophobicContact CE-CE 3.49Å; M193-M288 VanDerWaalsContact CE-CE 3.49Å; M193-M288 HydrophobicContact CE-SD 3.78Å; M193-M288 HydrophobicContact SD-CE 4Å |
| 194 | E | 53.5 | Low | 46.7 | Very low | 126 Ų | 126 | 79.3 Ų | 79.3 | 59% | 0.589 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65 | -46.7 | 174 | -168.4 | 173 | -162.8 | 0 | 0 | 111 | P190 L192 V196 G197 D198 | P190-E194 WeakPolarHBondContact O-CB 3.44Å; P190-E194 PolarHBondContact O-N 3.43Å; L192-E194 VanDerWaalsContact C-N 3.32Å; E194-V196 PolarHBondContact O-N 2.89Å; E194-G197 CarbonylContact O-C 3.58Å; E194-G197 WeakPolarHBondContact O-CA 3.49Å; E194-G197 PolarHBondContact O-N 3.17Å; E194-G197 VanDerWaalsContact O-N 3.14Å; E194-D198 PolarHBondContact O-N 3.28Å |
| 195 | A | 52.6 | Low | 47.3 | Very low | 39 Ų | 39 | 75.1 Ų | 75.1 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R191 L192 V199 | R191-A195 WeakPolarHBondContact O-CB 3.29Å; R191-A195 PolarHBondContact O-N 3.05Å; L192-A195 PolarHBondContact O-N 2.95Å; A195-V199 VanDerWaalsContact O-CG2 3.29Å; A195-V199 WeakPolarHBondContact O-CG2 3.34Å; A195-V199 PolarHBondContact O-N 3.42Å; A195-V199 VanDerWaalsContact O-N 3.1Å |
| 196 | V | 56.2 | Low | 47.7 | Very low | 26 Ų | 26 | 77.8 Ų | 77.8 | 16% | 0.158 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.4 | -38.8 | 173.6 | 176 | 0 | 0 | 0 | 0 | 110.3 | L192 E194 V199 C200 L281 Y285 | L192-V196 VanDerWaalsContact O-CG2 3.28Å; L192-V196 WeakPolarHBondContact O-CG2 2.99Å; L192-V196 PolarHBondContact O-N 3.3Å; E194-V196 PolarHBondContact O-N 2.89Å; V196-V199 PolarHBondContact O-N 3.13Å; V196-C200 WeakPolarHBondContact O-CB 3.29Å; V196-C200 PolarHBondContact O-N 2.95Å; V196-C200 PolarHBondContact O-SG 3.03Å; V196-L281 HydrophobicContact CG1-CD2 4.21Å; V196-L281 HydrophobicContact CG1-CG 4.03Å; V196-Y285 HydrophobicContact CB-CD2 3.95Å; V196-Y285 HydrophobicContact CB-CE2 4.29Å; V196-Y285 HydrophobicContact CB-CG 4.49Å; V196-Y285 HydrophobicContact CG1-CD2 3.6Å; V196-Y285 HydrophobicContact CG1-CE2 4.37Å; V196-Y285 HydrophobicContact CG1-CG 3.73Å |
| 197 | G | 58 | Low | 48 | Very low | 13 Ų | 13 | 75.6 Ų | 75.6 | 13% | 0.134 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M193 E194 V199 C200 E201 | M193-G197 PolarHBondContact O-N 2.89Å; E194-G197 CarbonylContact O-C 3.58Å; E194-G197 WeakPolarHBondContact O-CA 3.49Å; E194-G197 PolarHBondContact O-N 3.17Å; E194-G197 VanDerWaalsContact O-N 3.14Å; G197-V199 VanDerWaalsContact C-N 3.35Å; G197-V199 PolarHBondContact O-N 3.21Å; G197-C200 CarbonylContact O-C 3.47Å; G197-C200 WeakPolarHBondContact O-CA 3.35Å; G197-C200 PolarHBondContact O-N 3.05Å; G197-C200 VanDerWaalsContact O-N 3.09Å; G197-E201 PolarHBondContact O-N 2.96Å |
| 198 | D | 59.8 | Low | 48.2 | Very low | 92 Ų | 92 | 76.9 Ų | 76.9 | 49% | 0.492 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 176.9 | -75 | -7.1 | 0 | 0 | 0 | 112.1 | E194 C200 E201 V202 | E194-D198 PolarHBondContact O-N 3.28Å; D198-C200 VanDerWaalsContact C-N 3.32Å; D198-E201 PolarHBondContact O-N 3.32Å; D198-V202 WeakPolarHBondContact O-CB 3.44Å; D198-V202 WeakPolarHBondContact O-CG2 3.48Å; D198-V202 PolarHBondContact O-N 3.48Å |
| 199 | V | 60.4 | Low | 48.3 | Very low | 21 Ų | 21 | 76.4 Ų | 76.4 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110 | V10 A195 V196 G197 V202 F203 I278 | V10-V199 HydrophobicContact CG2-CG2 3.66Å; A195-V199 VanDerWaalsContact O-CG2 3.29Å; A195-V199 WeakPolarHBondContact O-CG2 3.34Å; A195-V199 PolarHBondContact O-N 3.42Å; A195-V199 VanDerWaalsContact O-N 3.1Å; V196-V199 PolarHBondContact O-N 3.13Å; G197-V199 VanDerWaalsContact C-N 3.35Å; G197-V199 PolarHBondContact O-N 3.21Å; V199-V202 PolarHBondContact O-N 3.4Å; V199-F203 HydrophobicContact CG1-CD2 3.81Å; V199-F203 HydrophobicContact CG1-CE2 4.25Å; V199-F203 WeakPolarHBondContact O-CB 3.2Å; V199-F203 VanDerWaalsContact O-CD2 3.29Å; V199-F203 WeakPolarHBondContact O-CD2 3.45Å; V199-F203 PolarHBondContact O-N 3.42Å; V199-I278 HydrophobicContact CG1-CG2 4.45Å |
| 200 | C | 64.4 | Low | 48.2 | Very low | 19 Ų | 19 | 77.4 Ų | 77.4 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.2 | -28 | 178.4 | -67.9 | 0 | 0 | 0 | 0 | 113.8 | V196 G197 D198 G204 C282 | V196-C200 WeakPolarHBondContact O-CB 3.29Å; V196-C200 PolarHBondContact O-N 2.95Å; V196-C200 PolarHBondContact O-SG 3.03Å; G197-C200 CarbonylContact O-C 3.47Å; G197-C200 WeakPolarHBondContact O-CA 3.35Å; G197-C200 PolarHBondContact O-N 3.05Å; G197-C200 VanDerWaalsContact O-N 3.09Å; D198-C200 VanDerWaalsContact C-N 3.32Å; C200-G204 WeakPolarHBondContact O-CA 3.5Å; C200-G204 PolarHBondContact O-N 3.34Å; C200-C282 WeakPolarHBondContact CA-SG 3.28Å; C200-C282 HydrophobicContact CB-CB 3.84Å; C200-C282 WeakPolarHBondContact CB-SG 3.29Å; C200-C282 WeakPolarHBondContact SG-CA 3.47Å; C200-C282 WeakPolarHBondContact SG-CB 3.22Å; C200-C282 CovalentContact SG-SG 2.04Å; C200-C282 PolarHBondContact SG-SG 2.76Å |
| 201 | E | 64.8 | Low | 47.9 | Very low | 135 Ų | 135 | 78.9 Ų | 78.9 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69.9 | -49.3 | 170.5 | -171.3 | 175.9 | 176.2 | 0 | 0 | 109.6 | G197 D198 F203 T205 | G197-E201 PolarHBondContact O-N 2.96Å; D198-E201 PolarHBondContact O-N 3.32Å; E201-F203 PolarHBondContact O-N 3.35Å; E201-T205 VanDerWaalsContact O-CG2 3.27Å; E201-T205 WeakPolarHBondContact O-CG2 3.29Å; E201-T205 PolarHBondContact O-N 3.45Å; E201-T205 VanDerWaalsContact O-N 3.14Å; E201-T205 PolarHBondContact O-OG1 3.3Å |
| 202 | V | 59.5 | Low | 47.4 | Very low | 84 Ų | 84 | 73.9 Ų | 73.9 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | -179.6 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | D198 V199 T205 Y206 | D198-V202 WeakPolarHBondContact O-CB 3.44Å; D198-V202 WeakPolarHBondContact O-CG2 3.48Å; D198-V202 PolarHBondContact O-N 3.48Å; V199-V202 PolarHBondContact O-N 3.4Å; V202-T205 PolarHBondContact O-OG1 3.28Å; V202-Y206 VanDerWaalsContact O-CD2 3.28Å; V202-Y206 WeakPolarHBondContact O-CD2 3.4Å |
| 203 | F | 54.2 | Low | 46.7 | Very low | 43 Ų | 43 | 73.2 Ų | 73.2 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -95.5 | -29.1 | -178.7 | -77.1 | -87.7 | 0 | 0 | 0 | 113.7 | L7 V199 E201 T205 Y206 T207 I278 | L7-F203 HydrophobicContact CD1-CZ 4Å; V199-F203 HydrophobicContact CG1-CD2 3.81Å; V199-F203 HydrophobicContact CG1-CE2 4.25Å; V199-F203 WeakPolarHBondContact O-CB 3.2Å; V199-F203 VanDerWaalsContact O-CD2 3.29Å; V199-F203 WeakPolarHBondContact O-CD2 3.45Å; V199-F203 PolarHBondContact O-N 3.42Å; E201-F203 PolarHBondContact O-N 3.35Å; F203-T205 VanDerWaalsContact C-N 3.35Å; F203-Y206 CarbonylContact O-C 3.57Å; F203-Y206 WeakPolarHBondContact O-CA 3.48Å; F203-Y206 WeakPolarHBondContact O-CB 3.38Å; F203-Y206 PolarHBondContact O-N 3.44Å; F203-T207 PolarHBondContact O-N 2.87Å; F203-T207 PolarHBondContact O-OG1 3.11Å; F203-I278 HydrophobicContact CB-CG2 3.5Å; F203-I278 HydrophobicContact CD1-CD1 3.65Å; F203-I278 HydrophobicContact CD1-CG2 4.28Å; F203-I278 HydrophobicContact CD2-CD1 4.16Å; F203-I278 HydrophobicContact CD2-CG2 4.23Å; F203-I278 HydrophobicContact CE1-CD1 3.54Å; F203-I278 HydrophobicContact CE2-CD1 4.06Å; F203-I278 HydrophobicContact CG-CD1 3.96Å; F203-I278 HydrophobicContact CG-CG2 3.77Å; F203-I278 HydrophobicContact CZ-CD1 3.76Å |
| 204 | G | 50.5 | Low | 45.7 | Very low | 21 Ų | 21 | 76.8 Ų | 76.8 | 22% | 0.216 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | C200 Y206 T207 D208 | C200-G204 WeakPolarHBondContact O-CA 3.5Å; C200-G204 PolarHBondContact O-N 3.34Å; G204-Y206 VanDerWaalsContact C-N 3.25Å; G204-Y206 PolarHBondContact O-N 2.92Å; G204-T207 WeakPolarHBondContact CA-OG1 3.45Å; G204-T207 PolarHBondContact O-N 3.25Å; G204-T207 PolarHBondContact O-OG1 2.76Å; G204-T207 VanDerWaalsContact O-OG1 3.08Å; G204-D208 PolarHBondContact O-N 2.8Å |
| 205 | T | 39.9 | Very low | 44.7 | Very low | 76 Ų | 76 | 75.7 Ų | 75.7 | 47% | 0.466 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 167.9 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | E201 V202 F203 T209 | E201-T205 VanDerWaalsContact O-CG2 3.27Å; E201-T205 WeakPolarHBondContact O-CG2 3.29Å; E201-T205 PolarHBondContact O-N 3.45Å; E201-T205 VanDerWaalsContact O-N 3.14Å; E201-T205 PolarHBondContact O-OG1 3.3Å; V202-T205 PolarHBondContact O-OG1 3.28Å; F203-T205 VanDerWaalsContact C-N 3.35Å; T205-T209 WeakPolarHBondContact O-CB 3.43Å; T205-T209 PolarHBondContact O-N 3.02Å; T205-T209 PolarHBondContact O-OG1 3.17Å |
| 206 | Y | 34.6 | Very low | 43.9 | Very low | 156 Ų | 156 | 78.7 Ų | 78.7 | 61% | 0.612 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74.3 | -23.3 | 177.1 | -95.9 | -92 | 0 | 0 | 0 | 113.8 | V202 F203 G204 Q210 | V202-Y206 VanDerWaalsContact O-CD2 3.28Å; V202-Y206 WeakPolarHBondContact O-CD2 3.4Å; F203-Y206 CarbonylContact O-C 3.57Å; F203-Y206 WeakPolarHBondContact O-CA 3.48Å; F203-Y206 WeakPolarHBondContact O-CB 3.38Å; F203-Y206 PolarHBondContact O-N 3.44Å; G204-Y206 VanDerWaalsContact C-N 3.25Å; G204-Y206 PolarHBondContact O-N 2.92Å; Y206-Q210 WeakPolarHBondContact O-CB 3.34Å; Y206-Q210 WeakPolarHBondContact O-CG 3.48Å; Y206-Q210 PolarHBondContact O-NE2 3.3Å |
| 207 | T | 35.8 | Very low | 42.8 | Very low | 56 Ų | 56 | 85.7 Ų | 85.7 | 34% | 0.344 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -89.3 | -35.1 | 175.7 | 52.7 | 0 | 0 | 0 | 0 | 113 | F203 G204 S211 V279 | F203-T207 PolarHBondContact O-N 2.87Å; F203-T207 PolarHBondContact O-OG1 3.11Å; G204-T207 WeakPolarHBondContact CA-OG1 3.45Å; G204-T207 PolarHBondContact O-N 3.25Å; G204-T207 PolarHBondContact O-OG1 2.76Å; G204-T207 VanDerWaalsContact O-OG1 3.08Å; T207-S211 WeakPolarHBondContact O-CB 3.43Å; T207-S211 PolarHBondContact O-N 2.9Å; T207-V279 HydrophobicContact CG2-CG2 4.06Å |
| 208 | D | 34.2 | Very low | 41.8 | Very low | 119 Ų | 119 | 93 Ų | 93 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -75 | -38.3 | 174.1 | -88.7 | -18.2 | 0 | 0 | 0 | 111.9 | G204 Q210 S211 T212 | G204-D208 PolarHBondContact O-N 2.8Å; D208-Q210 PolarHBondContact O-N 2.92Å; D208-S211 PolarHBondContact O-N 3.16Å; D208-T212 PolarHBondContact O-N 2.95Å; D208-T212 PolarHBondContact O-OG1 3.44Å |
| 209 | T | 35.8 | Very low | 40.7 | Very low | 103 Ų | 103 | 94.8 Ų | 94.8 | 63% | 0.632 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.3 | -15 | 179.8 | -42.6 | 0 | 0 | 0 | 0 | 113 | T205 | T205-T209 WeakPolarHBondContact O-CB 3.43Å; T205-T209 PolarHBondContact O-N 3.02Å; T205-T209 PolarHBondContact O-OG1 3.17Å |
| 210 | Q | 33.9 | Very low | 39.5 | Very low | 133 Ų | 133 | 101.9 Ų | 101.9 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -101 | -8.6 | 173.8 | -73.6 | -175.2 | 84.2 | 0 | 0 | 113.6 | Y206 D208 | Y206-Q210 WeakPolarHBondContact O-CB 3.34Å; Y206-Q210 WeakPolarHBondContact O-CG 3.48Å; Y206-Q210 PolarHBondContact O-NE2 3.3Å; D208-Q210 PolarHBondContact O-N 2.92Å |
| 211 | S | 31.2 | Very low | 38.1 | Very low | 94 Ų | 94 | 108.3 Ų | 108.3 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -103.9 | -0.2 | 175 | -165.8 | 0 | 0 | 0 | 0 | 113.6 | T207 D208 | T207-S211 WeakPolarHBondContact O-CB 3.43Å; T207-S211 PolarHBondContact O-N 2.9Å; D208-S211 PolarHBondContact O-N 3.16Å |
| 212 | T | 29.3 | Very low | 36.6 | Very low | 90 Ų | 90 | 110.7 Ų | 110.7 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | | | trans | -97.2 | 68.1 | 161.5 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | D208 | D208-T212 PolarHBondContact O-N 2.95Å; D208-T212 PolarHBondContact O-OG1 3.44Å |
| 213 | G | 26.5 | Very low | 35.3 | Very low | 48 Ų | 48 | 112.2 Ų | 112.2 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -57.8 | 146 | 139.6 | 0 | 0 | 0 | 0 | 0 | 107 | T215 | G213-T215 PolarHBondContact O-N 3.17Š|
| 214 | P | 25.6 | Very low | 34.1 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | | | trans | -51.7 | 99.1 | -166.5 | 22.5 | -34.1 | 0 | 0 | 0 | 110.6 | S216 L219 | P214-S216 PolarHBondContact O-N 3.49Å; P214-L219 HydrophobicContact CB-CD1 4.5Å |
| 215 | T | 30.7 | Very low | 33.2 | Very low | 104 Ų | 104 | 123 Ų | 123 | 64% | 0.638 | 68% | 0.682 | S | S | * | * | | | trans | -77.6 | 85.2 | 172.9 | 41 | 0 | 0 | 0 | 0 | 105.8 | G213 E217 | G213-T215 PolarHBondContact O-N 3.17Å; T215-E217 PolarHBondContact O-N 3.39Å |
| 216 | S | 35.6 | Very low | 32.7 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 44.7 | -10 | 139.3 | -168.8 | 0 | 0 | 0 | 0 | 122 | P214 | P214-S216 PolarHBondContact O-N 3.49Š|
| 217 | E | 35 | Very low | 32.6 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -107.2 | -17.7 | -177.7 | -72 | -174.6 | 154.7 | 0 | 0 | 112.7 | T215 | T215-E217 PolarHBondContact O-N 3.39Š|
| 218 | D | 35.5 | Very low | 32.3 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 4.6 | 171.8 | -100.7 | -22.2 | 0 | 0 | 0 | 113.9 | | |
| 219 | L | 37.4 | Very low | 32.2 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 8.6 | 175.4 | -104.2 | 101.3 | 0 | 0 | 0 | 114.3 | P214 N221 | P214-L219 HydrophobicContact CB-CD1 4.5Å; L219-N221 PolarHBondContact O-N 3.49Å; L219-N221 VanDerWaalsContact O-N 3.15Å |
| 220 | E | 34.9 | Very low | 31.8 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 9.7 | -177.8 | -145.4 | 179.3 | 161.7 | 0 | 0 | 114.1 | | |
| 221 | N | 34.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 17.4 | -178.3 | -101.4 | -10.4 | 0 | 0 | 0 | 115.5 | L219 | L219-N221 PolarHBondContact O-N 3.49Å; L219-N221 VanDerWaalsContact O-N 3.15Å |
| 222 | Q | 33.2 | Very low | 31.7 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | | | trans | -118.8 | 95 | 166.6 | -67.8 | -153.7 | 2.1 | 0 | 0 | 111.9 | | |
| 223 | T | 32 | Very low | 31.6 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | trans | -46 | 131.4 | 171.4 | -44.2 | 0 | 0 | 0 | 0 | 113 | | |
| 224 | E | 29.1 | Very low | 31.8 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | trans | 44.4 | 106.8 | 147.1 | -63.8 | 175.8 | 139.4 | 0 | 0 | 118.5 | | |
| 225 | S | 33.4 | Very low | 31.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | | -167.9 | 91.1 | 121.8 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | V227 | S225-V227 PolarHBondContact O-N 3.27Š|
| 226 | T | 29.5 | Very low | 31.9 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -46.3 | 118 | 157.8 | 24.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 227 | V | 32.5 | Very low | 31.6 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | trans | -143.9 | 100.6 | 142 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | S225 | S225-V227 PolarHBondContact O-N 3.27Š|
| 228 | N | 27.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -49.9 | 133.4 | 158.1 | -80.7 | 4.3 | 0 | 0 | 0 | 109.7 | | |
| 229 | S | 33.9 | Very low | 31.4 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | -158.7 | 94 | 146.4 | -80.8 | 0 | 0 | 0 | 0 | 109.7 | I231 | S229-I231 PolarHBondContact O-N 3.26Š|
| 230 | D | 27.5 | Very low | 31.3 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | -46.4 | 110.1 | 146.9 | -75.9 | -52.1 | 0 | 0 | 0 | 109.1 | | |
| 231 | I | 31.2 | Very low | 31.3 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -136.7 | 95 | 162.8 | -56.8 | -179.6 | 0 | 0 | 0 | 108.7 | S229 | S229-I231 PolarHBondContact O-N 3.26Š|
| 232 | T | 30.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -56.1 | 142 | 155.1 | 22 | 0 | 0 | 0 | 0 | 110.3 | S234 | T232-S234 PolarHBondContact O-N 3.04Š|
| 233 | P | 27.6 | Very low | 31.9 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -76 | 102.6 | -179.7 | 31.2 | -30.6 | 0 | 0 | 0 | 108.5 | | |
| 234 | S | 30.9 | Very low | 32.4 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -117.7 | 103.8 | 167.8 | -72.8 | 0 | 0 | 0 | 0 | 109 | T232 L236 | T232-S234 PolarHBondContact O-N 3.04Å; S234-L236 PolarHBondContact O-N 3.39Å |
| 235 | T | 28 | Very low | 33.1 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | | | trans | -50.2 | 113.5 | 159 | 25.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 236 | L | 31.4 | Very low | 33.3 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -130.3 | 111.6 | 165 | -146.5 | 87.8 | 0 | 0 | 0 | 110.1 | S234 | S234-L236 PolarHBondContact O-N 3.39Š|
| 237 | I | 28.1 | Very low | 34.1 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -74.8 | 122 | 170.4 | -59.9 | 163.3 | 0 | 0 | 0 | 107.3 | | |
| 238 | H | 34.2 | Very low | 34.6 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | | | trans | -148.3 | 128.5 | 156 | -133.4 | 54.6 | 0 | 0 | 0 | 112.7 | | |
| 239 | N | 32 | Very low | 35.2 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | trans | -80.4 | 163.1 | -177.9 | -64 | -31.9 | 0 | 0 | 0 | 112.1 | | |
| 240 | D | 35.3 | Very low | 35.8 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | 61.3 | 113.3 | 150.3 | -49.2 | -34.7 | 0 | 0 | 0 | 117.5 | | |
| 241 | D | 35.8 | Very low | 36.4 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | | 177 | 157.9 | 82.9 | -121.5 | -27.3 | 0 | 0 | 0 | 112 | | |
| 242 | E | 41.6 | Very low | 36.9 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -44.5 | 143.5 | -172 | -54.5 | -174.9 | 139.6 | 0 | 0 | 118.8 | | |
| 243 | S | 39.4 | Very low | 37.3 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | | 165.3 | 122.6 | 103.6 | 54 | 0 | 0 | 0 | 0 | 113.4 | | |
| 244 | S | 42.2 | Very low | 37.9 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 31.7 | 129.5 | 136.9 | 68.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 245 | T | 43 | Very low | 38 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | | -178.5 | 131.1 | 53.8 | -46.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 246 | D | 38.8 | Very low | 38.5 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | 33.6 | 113.5 | 135.6 | -138 | -0.3 | 0 | 0 | 0 | 118.6 | | |
| 247 | E | 46 | Very low | 38.7 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | | -165.4 | 144.6 | 111.4 | -75.2 | -132.2 | 154.7 | 0 | 0 | 110 | | |
| 248 | S | 41.9 | Very low | 39 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | -52.9 | 154.9 | -163.8 | 54.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 249 | P | 40.3 | Very low | 38.9 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -83 | 127.1 | 179.3 | 34.6 | -30 | 0 | 0 | 0 | 110.5 | | |
| 250 | V | 47.2 | Very low | 38.8 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | -106.7 | 107.8 | 165.2 | -154.3 | 0 | 0 | 0 | 0 | 106.8 | S252 | V250-S252 PolarHBondContact O-N 3.26Š|
| 251 | E | 39 | Very low | 38.6 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -52.2 | 107.3 | 178.6 | -65.2 | -167.2 | 147.1 | 0 | 0 | 110.6 | T253 | E251-T253 PolarHBondContact O-N 3.04Š|
| 252 | S | 42.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -86.5 | 97.8 | 158.6 | -62.4 | 0 | 0 | 0 | 0 | 106 | V250 S254 | V250-S252 PolarHBondContact O-N 3.26Å; S252-S254 PolarHBondContact O-N 3.14Å |
| 253 | T | 38 | Very low | 37.6 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -67.2 | 73.3 | 163 | 52.3 | 0 | 0 | 0 | 0 | 108 | E251 E255 | E251-T253 PolarHBondContact O-N 3.04Å; T253-E255 PolarHBondContact O-N 2.97Å |
| 254 | S | 41.1 | Very low | 37 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -76.2 | 99.2 | 160 | -59.7 | 0 | 0 | 0 | 0 | 105 | S252 S256 | S252-S254 PolarHBondContact O-N 3.14Å; S254-S256 PolarHBondContact O-N 2.87Å |
| 255 | E | 33.2 | Very low | 36.4 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -58.4 | 84.3 | 165 | -168.9 | 174.3 | -176.2 | 0 | 0 | 107 | T253 V257 | T253-E255 PolarHBondContact O-N 2.97Å; E255-V257 VanDerWaalsContact C-N 3.26Å; E255-V257 PolarHBondContact O-N 2.98Å |
| 256 | S | 38.4 | Very low | 35.9 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | -66.9 | 98.7 | 163.9 | 51.7 | 0 | 0 | 0 | 0 | 104.9 | S254 D258 | S254-S256 PolarHBondContact O-N 2.87Å; S256-D258 VanDerWaalsContact C-N 3.3Å; S256-D258 PolarHBondContact O-N 3.4Å |
| 257 | V | 34.7 | Very low | 35.4 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | | | trans | -51.7 | 105.6 | 160.4 | 177.5 | 0 | 0 | 0 | 0 | 105.1 | E255 I259 | E255-V257 VanDerWaalsContact C-N 3.26Å; E255-V257 PolarHBondContact O-N 2.98Å; V257-I259 HydrophobicContact CG1-CG1 3.91Å; V257-I259 PolarHBondContact O-N 3.02Å |
| 258 | D | 33.7 | Very low | 34.9 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | | | trans | -60.1 | 90.6 | 161 | -99.5 | -30.9 | 0 | 0 | 0 | 105 | S256 E260 | S256-D258 VanDerWaalsContact C-N 3.3Å; S256-D258 PolarHBondContact O-N 3.4Å; D258-E260 PolarHBondContact O-N 2.9Å |
| 259 | I | 33.5 | Very low | 34.8 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | | | trans | -69 | 86.7 | 159.8 | -56.1 | 174.2 | 0 | 0 | 0 | 102.8 | V257 A261 | V257-I259 HydrophobicContact CG1-CG1 3.91Å; V257-I259 PolarHBondContact O-N 3.02Å; I259-A261 PolarHBondContact O-N 3.35Å |
| 260 | E | 29.3 | Very low | 35 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | trans | -50.6 | 98.9 | 155.4 | -112.7 | -168.6 | 163.9 | 0 | 0 | 104.7 | D258 K262 | D258-E260 PolarHBondContact O-N 2.9Å; E260-K262 PolarHBondContact O-N 3.3Å |
| 261 | A | 30.7 | Very low | 34.9 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | | | trans | -65.3 | 81.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 105 | I259 T263 | I259-A261 PolarHBondContact O-N 3.35Å; A261-T263 PolarHBondContact O-N 3.49Å; A261-T263 PolarHBondContact O-OG1 2.86Å |
| 262 | K | 28.1 | Very low | 35.6 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 73% | 0.726 | 70% | 0.702 | S | S | * | * | | | trans | -69.4 | 84.2 | 172.2 | -152.5 | 169.2 | -169.6 | 163.7 | 0 | 104.9 | E260 V264 | E260-K262 PolarHBondContact O-N 3.3Å; K262-V264 PolarHBondContact O-N 2.94Å |
| 263 | T | 29.5 | Very low | 35.9 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | | | trans | -62 | 89.4 | 165.5 | 14.2 | 0 | 0 | 0 | 0 | 105.9 | A261 T265 | A261-T263 PolarHBondContact O-N 3.49Å; A261-T263 PolarHBondContact O-OG1 2.86Å; T263-T265 PolarHBondContact O-N 3.45Å |
| 264 | V | 26.1 | Very low | 36.5 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | | | trans | -68.3 | 89.8 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 105.1 | K262 E266 | K262-V264 PolarHBondContact O-N 2.94Å; V264-E266 HydrophobicContact CG1-CB 4.25Å; V264-E266 PolarHBondContact O-N 3.41Å |
| 265 | T | 29 | Very low | 37 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | | | trans | -70.8 | 79.7 | 165 | -47.5 | 0 | 0 | 0 | 0 | 106.4 | T263 T267 | T263-T265 PolarHBondContact O-N 3.45Å; T265-T267 PolarHBondContact O-N 2.62Å |
| 266 | E | 32.4 | Very low | 38 | Very low | 163 Ų | 163 | 117.8 Ų | 117.8 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | | | trans | -67.5 | 91.9 | 172.6 | -153 | 174.7 | -167.8 | 0 | 0 | 106.7 | V264 A268 | V264-E266 HydrophobicContact CG1-CB 4.25Å; V264-E266 PolarHBondContact O-N 3.41Å; E266-A268 PolarHBondContact O-N 2.94Å |
| 267 | T | 30 | Very low | 38.9 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | | | trans | -62.6 | 114 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 106.7 | T265 R269 | T265-T267 PolarHBondContact O-N 2.62Å; T267-R269 PolarHBondContact O-N 3.49Å |
| 268 | A | 34.6 | Very low | 40.1 | Very low | 73 Ų | 73 | 111.5 Ų | 111.5 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | | | trans | -50.2 | 104.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E266 Y270 | E266-A268 PolarHBondContact O-N 2.94Å; A268-Y270 PolarHBondContact O-N 3.3Å |
| 269 | R | 39.5 | Very low | 41.3 | Very low | 239 Ų | 239 | 107 Ų | 107 | 90% | 0.902 | 57% | 0.569 | S | S | * | * | | | trans | -71 | 16.3 | -175.7 | -87.1 | -171.8 | -174.1 | 172.9 | 2.9 | 114.2 | T267 | T267-R269 PolarHBondContact O-N 3.49Š|
| 270 | Y | 45.6 | Very low | 42.5 | Very low | 93 Ų | 93 | 102.5 Ų | 102.5 | 37% | 0.365 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -117.4 | 130.3 | 177.7 | -67.4 | -72.2 | 0 | 0 | 0 | 109.9 | L7 A268 N272 L274 | L7-Y270 HydrophobicContact CD1-CE1 4.28Å; L7-Y270 HydrophobicContact CD2-CE1 4.41Å; A268-Y270 PolarHBondContact O-N 3.3Å; Y270-N272 PolarHBondContact O-N 3.48Å; Y270-L274 HydrophobicContact CD1-CD2 3.71Å; Y270-L274 HydrophobicContact CE1-CD2 4.36Å; Y270-L274 HydrophobicContact CG-CD2 4.49Å |
| 271 | P | 44.7 | Very low | 44.2 | Very low | 88 Ų | 88 | 97.5 Ų | 97.5 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | | | trans | -55.8 | 129 | 175.4 | 23.6 | -31.1 | 0 | 0 | 0 | 107.5 | N273 L274 | P271-N273 CarbonylContact O-C 3.54Å; P271-N273 PolarHBondContact O-N 2.86Å; P271-L274 HydrophobicContact CG-CB 4.12Å; P271-L274 WeakPolarHBondContact O-CB 3.43Å; P271-L274 PolarHBondContact O-N 3.22Å |
| 272 | N | 53.7 | Low | 45.8 | Very low | 114 Ų | 114 | 94.5 Ų | 94.5 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -44.8 | -28.5 | -174.8 | -158 | -25.8 | 0 | 0 | 0 | 113.3 | Y270 K276 | Y270-N272 PolarHBondContact O-N 3.48Å; N272-K276 VanDerWaalsContact O-CG 3.29Å; N272-K276 WeakPolarHBondContact O-CG 3.39Å; N272-K276 PolarHBondContact O-N 3.49Å; N272-K276 VanDerWaalsContact O-N 3.17Å; N272-K276 WeakPolarHBondContact OD1-CE 3.44Å |
| 273 | N | 47.5 | Very low | 47.3 | Very low | 124 Ų | 124 | 90.8 Ų | 90.8 | 66% | 0.663 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.1 | -37.5 | 175.6 | -62.9 | -19.7 | 0 | 0 | 0 | 114.5 | P271 K276 L277 | P271-N273 CarbonylContact O-C 3.54Å; P271-N273 PolarHBondContact O-N 2.86Å; N273-K276 PolarHBondContact O-N 2.78Å; N273-L277 WeakPolarHBondContact O-CB 3.28Å; N273-L277 PolarHBondContact O-N 3.13Å |
| 274 | L | 51.8 | Low | 48.7 | Very low | 37 Ų | 37 | 88.5 Ų | 88.5 | 19% | 0.194 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 178.9 | -177.6 | 66.9 | 0 | 0 | 0 | 110.6 | L7 Y270 P271 K276 L277 I278 | L7-L274 HydrophobicContact CD2-CD2 4.02Å; Y270-L274 HydrophobicContact CD1-CD2 3.71Å; Y270-L274 HydrophobicContact CE1-CD2 4.36Å; Y270-L274 HydrophobicContact CG-CD2 4.49Å; P271-L274 HydrophobicContact CG-CB 4.12Å; P271-L274 WeakPolarHBondContact O-CB 3.43Å; P271-L274 PolarHBondContact O-N 3.22Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.8Å; L274-L277 WeakPolarHBondContact O-CB 3.36Å; L274-L277 PolarHBondContact O-N 3.41Å; L274-L277 VanDerWaalsContact O-N 3.16Å; L274-I278 HydrophobicContact CD1-CD1 4.29Å; L274-I278 HydrophobicContact CG-CD1 3.93Å; L274-I278 VanDerWaalsContact O-CG1 3.29Å; L274-I278 WeakPolarHBondContact O-CG1 3.4Å; L274-I278 PolarHBondContact O-N 2.84Å |
| 275 | T | 51.9 | Low | 50.3 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.5 | -48.2 | 0 | 0 | 0 | 0 | 110.9 | L277 I278 V279 | T275-L277 VanDerWaalsContact C-N 3.34Å; T275-L277 PolarHBondContact O-N 3.41Å; T275-I278 PolarHBondContact O-N 3.21Å; T275-V279 VanDerWaalsContact O-CG2 3.29Å; T275-V279 WeakPolarHBondContact O-CG2 3.15Å; T275-V279 PolarHBondContact O-N 3.19Å |
| 276 | K | 53.6 | Low | 51.8 | Low | 123 Ų | 123 | 82.1 Ų | 82.1 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 174 | -75.1 | 176.3 | -178.5 | -176 | 0 | 112.9 | N272 N273 L274 V279 S280 | N272-K276 VanDerWaalsContact O-CG 3.29Å; N272-K276 WeakPolarHBondContact O-CG 3.39Å; N272-K276 PolarHBondContact O-N 3.49Å; N272-K276 VanDerWaalsContact O-N 3.17Å; N272-K276 WeakPolarHBondContact OD1-CE 3.44Å; N273-K276 PolarHBondContact O-N 2.78Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.8Å; K276-V279 PolarHBondContact O-N 3.15Å; K276-S280 WeakPolarHBondContact O-CB 3.37Å; K276-S280 PolarHBondContact O-N 3.29Å |
| 277 | L | 58 | Low | 52.9 | Low | 62 Ų | 62 | 78.9 Ų | 78.9 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 177.6 | -178.2 | 66.4 | 0 | 0 | 0 | 111.2 | F14 N273 L274 T275 S280 L281 | F14-L277 HydrophobicContact CD1-CD2 4.46Å; F14-L277 HydrophobicContact CE1-CD1 4.31Å; F14-L277 HydrophobicContact CE1-CD2 4.12Å; F14-L277 HydrophobicContact CE2-CD1 4.09Å; F14-L277 HydrophobicContact CZ-CD1 3.68Å; F14-L277 HydrophobicContact CZ-CD2 4.21Å; F14-L277 HydrophobicContact CZ-CG 4.46Å; N273-L277 WeakPolarHBondContact O-CB 3.28Å; N273-L277 PolarHBondContact O-N 3.13Å; L274-L277 WeakPolarHBondContact O-CB 3.36Å; L274-L277 PolarHBondContact O-N 3.41Å; L274-L277 VanDerWaalsContact O-N 3.16Å; T275-L277 VanDerWaalsContact C-N 3.34Å; T275-L277 PolarHBondContact O-N 3.41Å; L277-S280 WeakPolarHBondContact O-CB 3.22Å; L277-S280 PolarHBondContact O-N 3.43Å; L277-L281 WeakPolarHBondContact O-CB 3.36Å; L277-L281 PolarHBondContact O-N 3.1Å |
| 278 | I | 58.2 | Low | 54 | Low | 18 Ų | 18 | 77.6 Ų | 77.6 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 179.1 | -66.3 | 167.4 | 0 | 0 | 0 | 110.5 | V199 F203 L274 T275 S280 L281 C282 | V199-I278 HydrophobicContact CG1-CG2 4.45Å; F203-I278 HydrophobicContact CB-CG2 3.5Å; F203-I278 HydrophobicContact CD1-CD1 3.65Å; F203-I278 HydrophobicContact CD1-CG2 4.28Å; F203-I278 HydrophobicContact CD2-CD1 4.16Å; F203-I278 HydrophobicContact CD2-CG2 4.23Å; F203-I278 HydrophobicContact CE1-CD1 3.54Å; F203-I278 HydrophobicContact CE2-CD1 4.06Å; F203-I278 HydrophobicContact CG-CD1 3.96Å; F203-I278 HydrophobicContact CG-CG2 3.77Å; F203-I278 HydrophobicContact CZ-CD1 3.76Å; L274-I278 HydrophobicContact CD1-CD1 4.29Å; L274-I278 HydrophobicContact CG-CD1 3.93Å; L274-I278 VanDerWaalsContact O-CG1 3.29Å; L274-I278 WeakPolarHBondContact O-CG1 3.4Å; L274-I278 PolarHBondContact O-N 2.84Å; T275-I278 PolarHBondContact O-N 3.21Å; I278-S280 VanDerWaalsContact C-N 3.32Å; I278-S280 PolarHBondContact O-N 3.13Å; I278-L281 WeakPolarHBondContact O-CB 2.95Å; I278-L281 PolarHBondContact O-N 3.38Å; I278-C282 WeakPolarHBondContact O-CB 3.35Å; I278-C282 PolarHBondContact O-N 3.5Å; I278-C282 PolarHBondContact O-SG 2.78Å |
| 279 | V | 59.9 | Low | 54.9 | Low | 57 Ų | 57 | 77.7 Ų | 77.7 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | T207 T275 K276 C282 N283 | T207-V279 HydrophobicContact CG2-CG2 4.06Å; T275-V279 VanDerWaalsContact O-CG2 3.29Å; T275-V279 WeakPolarHBondContact O-CG2 3.15Å; T275-V279 PolarHBondContact O-N 3.19Å; K276-V279 PolarHBondContact O-N 3.15Å; V279-C282 PolarHBondContact O-N 2.85Å; V279-N283 PolarHBondContact O-N 2.87Å |
| 280 | S | 59.2 | Low | 55.2 | Low | 45 Ų | 45 | 74.3 Ų | 74.3 | 32% | 0.315 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | K276 L277 I278 C282 N283 V284 | K276-S280 WeakPolarHBondContact O-CB 3.37Å; K276-S280 PolarHBondContact O-N 3.29Å; L277-S280 WeakPolarHBondContact O-CB 3.22Å; L277-S280 PolarHBondContact O-N 3.43Å; I278-S280 VanDerWaalsContact C-N 3.32Å; I278-S280 PolarHBondContact O-N 3.13Å; S280-C282 VanDerWaalsContact C-N 3.33Å; S280-C282 PolarHBondContact O-N 2.9Å; S280-N283 PolarHBondContact O-N 2.74Å; S280-V284 WeakPolarHBondContact O-CG2 3.3Å; S280-V284 PolarHBondContact O-N 3.31Å |
| 281 | L | 64.2 | Low | 54.9 | Low | 51 Ų | 51 | 73.4 Ų | 73.4 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 177.4 | -172.7 | 68.7 | 0 | 0 | 0 | 111.5 | V196 L277 I278 V284 Y285 | V196-L281 HydrophobicContact CG1-CD2 4.21Å; V196-L281 HydrophobicContact CG1-CG 4.03Å; L277-L281 WeakPolarHBondContact O-CB 3.36Å; L277-L281 PolarHBondContact O-N 3.1Å; I278-L281 WeakPolarHBondContact O-CB 2.95Å; I278-L281 PolarHBondContact O-N 3.38Å; L281-V284 PolarHBondContact O-N 2.93Å; L281-Y285 WeakPolarHBondContact O-CB 3.38Å; L281-Y285 PolarHBondContact O-N 3.41Å |
| 282 | C | 63.8 | Low | 54.4 | Low | 18 Ų | 18 | 74.4 Ų | 74.4 | 12% | 0.122 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.6 | -33.7 | 179.4 | -64 | 0 | 0 | 0 | 0 | 113.6 | C200 I278 V279 S280 Y285 T286 | C200-C282 WeakPolarHBondContact CA-SG 3.28Å; C200-C282 HydrophobicContact CB-CB 3.84Å; C200-C282 WeakPolarHBondContact CB-SG 3.29Å; C200-C282 WeakPolarHBondContact SG-CA 3.47Å; C200-C282 WeakPolarHBondContact SG-CB 3.22Å; C200-C282 CovalentContact SG-SG 2.04Å; C200-C282 PolarHBondContact SG-SG 2.76Å; I278-C282 WeakPolarHBondContact O-CB 3.35Å; I278-C282 PolarHBondContact O-N 3.5Å; I278-C282 PolarHBondContact O-SG 2.78Å; V279-C282 PolarHBondContact O-N 2.85Å; S280-C282 VanDerWaalsContact C-N 3.33Å; S280-C282 PolarHBondContact O-N 2.9Å; C282-Y285 PolarHBondContact O-N 2.82Å; C282-T286 PolarHBondContact O-N 3.28Å; C282-T286 PolarHBondContact O-OG1 3.31Å |
| 283 | N | 60.4 | Low | 53.2 | Low | 90 Ų | 90 | 73.1 Ų | 73.1 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 171.2 | -76.5 | -17.1 | 0 | 0 | 0 | 111.6 | V279 S280 T286 N287 | V279-N283 PolarHBondContact O-N 2.87Å; S280-N283 PolarHBondContact O-N 2.74Å; N283-T286 WeakPolarHBondContact CA-OG1 3.34Å; N283-T286 PolarHBondContact O-OG1 3.46Å; N283-N287 VanDerWaalsContact O-CB 3.29Å; N283-N287 WeakPolarHBondContact O-CB 3.17Å; N283-N287 PolarHBondContact O-N 2.91Å; N283-N287 PolarHBondContact O-ND2 3.21Å |
| 284 | V | 59 | Low | 52.4 | Low | 73 Ų | 73 | 74.5 Ų | 74.5 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | S280 L281 N287 M288 | S280-V284 WeakPolarHBondContact O-CG2 3.3Å; S280-V284 PolarHBondContact O-N 3.31Å; L281-V284 PolarHBondContact O-N 2.93Å; V284-N287 PolarHBondContact O-N 2.91Å; V284-M288 HydrophobicContact CG1-CE 3.74Å; V284-M288 HydrophobicContact CG1-SD 4.15Å; V284-M288 WeakPolarHBondContact O-CG 3.37Å; V284-M288 PolarHBondContact O-N 2.73Å |
| 285 | Y | 59.1 | Low | 51.3 | Low | 37 Ų | 37 | 77.8 Ų | 77.8 | 15% | 0.145 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 177.1 | -179 | -104.7 | 0 | 0 | 0 | 113.1 | M193 V196 L281 C282 N287 M288 N289 | M193-Y285 HydrophobicContact CB-CE2 3.92Å; M193-Y285 HydrophobicContact CG-CE2 4.39Å; M193-Y285 WeakPolarHBondContact O-CE2 3.21Å; M193-Y285 PolarHBondContact O-OH 3.44Å; M193-Y285 HydrophobicContact SD-CD2 3.66Å; M193-Y285 HydrophobicContact SD-CE2 3.6Å; V196-Y285 HydrophobicContact CB-CD2 3.95Å; V196-Y285 HydrophobicContact CB-CE2 4.29Å; V196-Y285 HydrophobicContact CB-CG 4.49Å; V196-Y285 HydrophobicContact CG1-CD2 3.6Å; V196-Y285 HydrophobicContact CG1-CE2 4.37Å; V196-Y285 HydrophobicContact CG1-CG 3.73Å; L281-Y285 WeakPolarHBondContact O-CB 3.38Å; L281-Y285 PolarHBondContact O-N 3.41Å; C282-Y285 PolarHBondContact O-N 2.82Å; Y285-N287 VanDerWaalsContact C-N 3.31Å; Y285-N287 PolarHBondContact O-N 2.9Å; Y285-M288 PolarHBondContact O-N 3.41Å; Y285-N289 WeakPolarHBondContact CE1-ND2 3.24Å; Y285-N289 PolarHBondContact O-N 2.83Å; Y285-N289 PolarHBondContact OH-ND2 3.3Å; Y285-N289 VanDerWaalsContact OH-ND2 3.13Å |
| 286 | T | 59.7 | Low | 50.4 | Low | 57 Ų | 57 | 81.3 Ų | 81.3 | 35% | 0.35 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 178.1 | 37.7 | 0 | 0 | 0 | 0 | 112.4 | C282 N283 K290 | C282-T286 PolarHBondContact O-N 3.28Å; C282-T286 PolarHBondContact O-OG1 3.31Å; N283-T286 WeakPolarHBondContact CA-OG1 3.34Å; N283-T286 PolarHBondContact O-OG1 3.46Å; T286-K290 VanDerWaalsContact O-CB 3.25Å; T286-K290 WeakPolarHBondContact O-CB 3.18Å; T286-K290 WeakPolarHBondContact O-CG 3.43Å; T286-K290 PolarHBondContact O-N 3.05Å |
| 287 | N | 55.6 | Low | 49.2 | Very low | 96 Ų | 96 | 81 Ų | 81 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 175.4 | -73.1 | -22 | 0 | 0 | 0 | 112.4 | N283 V284 Y285 S291 | N283-N287 VanDerWaalsContact O-CB 3.29Å; N283-N287 WeakPolarHBondContact O-CB 3.17Å; N283-N287 PolarHBondContact O-N 2.91Å; N283-N287 PolarHBondContact O-ND2 3.21Å; V284-N287 PolarHBondContact O-N 2.91Å; Y285-N287 VanDerWaalsContact C-N 3.31Å; Y285-N287 PolarHBondContact O-N 2.9Å; N287-S291 WeakPolarHBondContact O-CB 3.37Å; N287-S291 PolarHBondContact O-N 2.61Å; N287-S291 PolarHBondContact O-OG 3.38Å |
| 288 | M | 53.4 | Low | 47.8 | Very low | 83 Ų | 83 | 85.8 Ų | 85.8 | 41% | 0.409 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 174.1 | -71.1 | -176.8 | -58.9 | 0 | 0 | 111.3 | M193 V284 Y285 S291 | M193-M288 HydrophobicContact CE-CE 3.49Å; M193-M288 VanDerWaalsContact CE-CE 3.49Å; M193-M288 HydrophobicContact CE-SD 3.78Å; M193-M288 HydrophobicContact SD-CE 4Å; V284-M288 HydrophobicContact CG1-CE 3.74Å; V284-M288 HydrophobicContact CG1-SD 4.15Å; V284-M288 WeakPolarHBondContact O-CG 3.37Å; V284-M288 PolarHBondContact O-N 2.73Å; Y285-M288 PolarHBondContact O-N 3.41Å; M288-S291 PolarHBondContact O-N 3.32Å |
| 289 | N | 53.2 | Low | 46.2 | Very low | 76 Ų | 76 | 90.4 Ų | 90.4 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.1 | -28.6 | 179.3 | -75.7 | 4.1 | 0 | 0 | 0 | 113.6 | Y285 S291 | Y285-N289 WeakPolarHBondContact CE1-ND2 3.24Å; Y285-N289 PolarHBondContact O-N 2.83Å; Y285-N289 PolarHBondContact OH-ND2 3.3Å; Y285-N289 VanDerWaalsContact OH-ND2 3.13Å; N289-S291 PolarHBondContact O-N 2.76Å |
| 290 | K | 46.6 | Very low | 44.7 | Very low | 168 Ų | 168 | 92.4 Ų | 92.4 | 73% | 0.73 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.6 | -12.7 | 172.1 | -77.1 | 175.2 | -179.5 | 176.1 | 0 | 113.3 | T286 | T286-K290 VanDerWaalsContact O-CB 3.25Å; T286-K290 WeakPolarHBondContact O-CB 3.18Å; T286-K290 WeakPolarHBondContact O-CG 3.43Å; T286-K290 PolarHBondContact O-N 3.05Å |
| 291 | S | 40.2 | Very low | 43.2 | Very low | 73 Ų | 73 | 97.6 Ų | 97.6 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -1 | -177.1 | -56.5 | 0 | 0 | 0 | 0 | 114.1 | N287 M288 N289 P293 | N287-S291 WeakPolarHBondContact O-CB 3.37Å; N287-S291 PolarHBondContact O-N 2.61Å; N287-S291 PolarHBondContact O-OG 3.38Å; M288-S291 PolarHBondContact O-N 3.32Å; N289-S291 PolarHBondContact O-N 2.76Å; S291-P293 WeakPolarHBondContact O-CD 3.25Å |
| 292 | V | 32.5 | Very low | 41.3 | Very low | 110 Ų | 110 | 100.5 Ų | 100.5 | 67% | 0.667 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -103.8 | 93.7 | 169.7 | -174 | 0 | 0 | 0 | 0 | 107.5 | D294 | V292-D294 PolarHBondContact O-N 2.96Š|
| 293 | P | 29.1 | Very low | 39.6 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | | | trans | -61.1 | 125.5 | 164.3 | 26.1 | -30.2 | 0 | 0 | 0 | 106.8 | S291 T295 | S291-P293 WeakPolarHBondContact O-CD 3.25Å; P293-T295 HydrophobicContact CB-CG2 4.39Å; P293-T295 PolarHBondContact O-N 3.26Å; P293-T295 PolarHBondContact O-OG1 2.85Å; P293-T295 VanDerWaalsContact O-OG1 3.13Å |
| 294 | D | 31.4 | Very low | 37.9 | Very low | 153 Ų | 153 | 106.5 Ų | 106.5 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | | | trans | -48.3 | 89 | 162.5 | -107.2 | -26.7 | 0 | 0 | 0 | 108.3 | V292 | V292-D294 PolarHBondContact O-N 2.96Š|
| 295 | T | 29.1 | Very low | 36.3 | Very low | 106 Ų | 106 | 111 Ų | 111 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | | | trans | -116.7 | 48.2 | 169.8 | 44.4 | 0 | 0 | 0 | 0 | 106.9 | P293 T297 | P293-T295 HydrophobicContact CB-CG2 4.39Å; P293-T295 PolarHBondContact O-N 3.26Å; P293-T295 PolarHBondContact O-OG1 2.85Å; P293-T295 VanDerWaalsContact O-OG1 3.13Å; T295-T297 PolarHBondContact O-N 3.13Å |
| 296 | T | 31.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 77% | 0.767 | 64% | 0.642 | S | S | * | * | | | trans | -70.5 | 62.2 | 148.9 | -32.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 297 | T | 29.1 | Very low | 33.3 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 72% | 0.718 | 66% | 0.661 | S | S | * | * | | | trans | -97.8 | 104 | 150.5 | -52.6 | 0 | 0 | 0 | 0 | 103.2 | T295 | T295-T297 PolarHBondContact O-N 3.13Š|
| 298 | E | 27.7 | Very low | 32 | Very low | 162 Ų | 162 | 120.1 Ų | 120.1 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | | | trans | -46.5 | 133 | 166.1 | -76 | -164.8 | 150.3 | 0 | 0 | 107.8 | S300 | E298-S300 PolarHBondContact O-N 3.34Š|
| 299 | P | 26.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | | | trans | -64 | 92.2 | 163.9 | 27.6 | -29.8 | 0 | 0 | 0 | 106.2 | E301 | P299-E301 PolarHBondContact O-N 3.26Š|
| 300 | S | 26.3 | Very low | 29.7 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | | | trans | -68 | 76.4 | 160.1 | 166.6 | 0 | 0 | 0 | 0 | 106.1 | E298 T302 | E298-S300 PolarHBondContact O-N 3.34Å; S300-T302 PolarHBondContact O-N 3.2Å |
| 301 | E | 28 | Very low | 28.7 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | | | trans | -60.3 | 94.8 | 161.2 | -71.9 | -165.4 | 165.6 | 0 | 0 | 106.8 | P299 I303 | P299-E301 PolarHBondContact O-N 3.26Å; E301-I303 HydrophobicContact CB-CG1 4.21Å; E301-I303 PolarHBondContact O-N 3.12Å |
| 302 | T | 26 | Very low | 28.3 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | | | trans | -72.4 | 83.1 | 165.8 | -55.2 | 0 | 0 | 0 | 0 | 106.1 | S300 T304 | S300-T302 PolarHBondContact O-N 3.2Å; T302-T304 VanDerWaalsContact C-N 3.35Å; T302-T304 PolarHBondContact O-N 3.23Å |
| 303 | I | 26.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | | | trans | -66.8 | 99.4 | 170.6 | -58.1 | 176.1 | 0 | 0 | 0 | 106.5 | E301 Q305 | E301-I303 HydrophobicContact CB-CG1 4.21Å; E301-I303 PolarHBondContact O-N 3.12Å; I303-Q305 VanDerWaalsContact C-N 3.34Å; I303-Q305 HydrophobicContact CG2-CG 4.09Å; I303-Q305 PolarHBondContact O-N 2.8Å; I303-Q305 VanDerWaalsContact O-N 3.08Å |
| 304 | T | 25.8 | Very low | 28.4 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | -78.2 | 89.7 | 170.3 | -51.3 | 0 | 0 | 0 | 0 | 107.2 | T302 T306 | T302-T304 VanDerWaalsContact C-N 3.35Å; T302-T304 PolarHBondContact O-N 3.23Å; T304-T306 PolarHBondContact O-N 2.59Å; T304-T306 VanDerWaalsContact O-N 3.11Å |
| 305 | Q | 25.6 | Very low | 28.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | -64.9 | 109.4 | 169.7 | -77 | -176.3 | 13.8 | 0 | 0 | 108.9 | I303 E307 | I303-Q305 VanDerWaalsContact C-N 3.34Å; I303-Q305 HydrophobicContact CG2-CG 4.09Å; I303-Q305 PolarHBondContact O-N 2.8Å; I303-Q305 VanDerWaalsContact O-N 3.08Å; Q305-E307 PolarHBondContact O-N 2.99Å |
| 306 | T | 27 | Very low | 28.7 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | -90.6 | 92.7 | 163.3 | -56 | 0 | 0 | 0 | 0 | 107.1 | T304 T308 | T304-T306 PolarHBondContact O-N 2.59Å; T304-T306 VanDerWaalsContact O-N 3.11Å; T306-T308 PolarHBondContact O-N 3.17Å |
| 307 | E | 27.5 | Very low | 28.9 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | -58 | 106 | 166.9 | -85.2 | -173.2 | 147 | 0 | 0 | 108.8 | Q305 | Q305-E307 PolarHBondContact O-N 2.99Š|
| 308 | T | 28.4 | Very low | 29.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | trans | -103 | 91.9 | 163.5 | -51.1 | 0 | 0 | 0 | 0 | 107.6 | T306 N310 | T306-T308 PolarHBondContact O-N 3.17Å; T308-N310 PolarHBondContact O-N 3.11Å |
| 309 | N | 27.1 | Very low | 29.2 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | -60.5 | 102.7 | 170.8 | -82.5 | -28.7 | 0 | 0 | 0 | 110.1 | | |
| 310 | N | 32.2 | Very low | 29.5 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -117.6 | 90.2 | 156.2 | -89.3 | -3.2 | 0 | 0 | 0 | 108.9 | T308 T312 | T308-N310 PolarHBondContact O-N 3.11Å; N310-T312 PolarHBondContact O-N 2.81Å |
| 311 | V | 24.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | | | trans | -57.6 | 123.1 | 162.4 | 174.2 | 0 | 0 | 0 | 0 | 108.6 | E313 | V311-E313 HydrophobicContact CG1-CG 4.45Š|
| 312 | T | 31.8 | Very low | 29.7 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | -149.7 | 123.3 | 137.8 | -52 | 0 | 0 | 0 | 0 | 109.1 | N310 | N310-T312 PolarHBondContact O-N 2.81Š|
| 313 | E | 31 | Very low | 29.8 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -65.2 | 140.6 | -172.8 | -58.9 | 158.2 | 156.7 | 0 | 0 | 112.7 | V311 | V311-E313 HydrophobicContact CG1-CG 4.45Š|
| 314 | S | 33.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -153.1 | 109.9 | 140.7 | -173.9 | 0 | 0 | 0 | 0 | 109 | | |
| 315 | E | 32.3 | Very low | 29.7 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -59.6 | 140.8 | 175.3 | -55 | 171.9 | 130.1 | 0 | 0 | 111.3 | | |
| 316 | T | 34.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | | | | -172.9 | 119.6 | 122.9 | 17.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 317 | E | 34.4 | Very low | 29.4 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -53.7 | 135.4 | 167.4 | -71.6 | 170.1 | 121 | 0 | 0 | 111.6 | | |
| 318 | S | 34.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | | -163.3 | 117.3 | 126.4 | -174.2 | 0 | 0 | 0 | 0 | 110 | N320 | S318-N320 PolarHBondContact O-N 3.33Š|
| 319 | T | 30.7 | Very low | 29 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -44.1 | 126.6 | 164.2 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 320 | N | 32.6 | Very low | 29 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -162.7 | 137.1 | 130.5 | -98.6 | -13.6 | 0 | 0 | 0 | 110.5 | S318 E322 | S318-N320 PolarHBondContact O-N 3.33Å; N320-E322 PolarHBondContact O-N 3.48Å |
| 321 | N | 28 | Very low | 28.5 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -72 | 101.4 | -175.9 | -159.3 | 34 | 0 | 0 | 0 | 108.8 | | |
| 322 | E | 29.7 | Very low | 28.6 | Very low | 145 Ų | 145 | 140 Ų | 140 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | trans | -148.6 | 110.1 | 168.7 | -138.5 | 177.2 | -174.1 | 0 | 0 | 107 | N320 Q324 | N320-E322 PolarHBondContact O-N 3.48Å; E322-Q324 HydrophobicContact CB-CG 4.4Å; E322-Q324 PolarHBondContact O-N 3.43Å; E322-Q324 PolarHBondContact OE2-NE2 3.03Å |
| 323 | T | 27.3 | Very low | 28.4 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | -67 | 82.2 | 171.1 | -49 | 0 | 0 | 0 | 0 | 107.2 | | |
| 324 | Q | 27 | Very low | 28.1 | Very low | 143 Ų | 143 | 141 Ų | 141 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | | | trans | -79.9 | 123.6 | 170.1 | -73.9 | -173.7 | 4.7 | 0 | 0 | 108.6 | E322 V326 | E322-Q324 HydrophobicContact CB-CG 4.4Å; E322-Q324 PolarHBondContact O-N 3.43Å; E322-Q324 PolarHBondContact OE2-NE2 3.03Å; Q324-V326 PolarHBondContact O-N 3.49Å; Q324-V326 VanDerWaalsContact O-N 3.13Å |
| 325 | S | 23.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -53.8 | 108.8 | 168.1 | -33.6 | 0 | 0 | 0 | 0 | 109.3 | S327 | S325-S327 PolarHBondContact O-N 3.05Š|
| 326 | V | 23.9 | Very low | 27.4 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | -86.6 | 104.6 | 169.5 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | Q324 I328 | Q324-V326 PolarHBondContact O-N 3.49Å; Q324-V326 VanDerWaalsContact O-N 3.13Å; V326-I328 HydrophobicContact CG1-CG1 4.13Å; V326-I328 PolarHBondContact O-N 3.2Å |
| 327 | S | 23.3 | Very low | 27.2 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | -67.2 | 117.7 | 161.1 | 50.5 | 0 | 0 | 0 | 0 | 108.3 | S325 | S325-S327 PolarHBondContact O-N 3.05Š|
| 328 | I | 24.3 | Very low | 26.8 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | | | trans | -94.8 | 105.8 | 165.7 | -59.2 | 177.9 | 0 | 0 | 0 | 105.7 | V326 D330 | V326-I328 HydrophobicContact CG1-CG1 4.13Å; V326-I328 PolarHBondContact O-N 3.2Å; I328-D330 PolarHBondContact O-N 3.31Å |
| 329 | I | 22.5 | Very low | 26.4 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | | | trans | -80.1 | 107.8 | 165.1 | -60.8 | 172.3 | 0 | 0 | 0 | 105.6 | I331 | I329-I331 HydrophobicContact CG2-CD1 4.47Å; I329-I331 HydrophobicContact CG2-CG1 3.9Å |
| 330 | D | 26.5 | Very low | 26.1 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -86.7 | 112.2 | 166.4 | -96.2 | -33.3 | 0 | 0 | 0 | 109.6 | I328 | I328-D330 PolarHBondContact O-N 3.31Š|
| 331 | I | 22.5 | Very low | 25.9 | Very low | 143 Ų | 143 | 136 Ų | 136 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -95.3 | 99.3 | 167.7 | -56.9 | 177.4 | 0 | 0 | 0 | 106.6 | I329 T333 | I329-I331 HydrophobicContact CG2-CD1 4.47Å; I329-I331 HydrophobicContact CG2-CG1 3.9Å; I331-T333 HydrophobicContact CG2-CG2 4.49Å |
| 332 | G | 26.5 | Very low | 25.7 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -104.8 | 94.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 333 | T | 27.6 | Very low | 25.6 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -65.1 | 144.4 | 175.2 | 36.2 | 0 | 0 | 0 | 0 | 113.6 | I331 | I331-T333 HydrophobicContact CG2-CG2 4.49Š|
| 334 | E | 24.5 | Very low | 25.5 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 95% | 0.949 | 78% | 0.783 | S | S | * | * | | | trans | -48.5 | 137 | 177.3 | -62.7 | 176 | 157.3 | 0 | 0 | 114.3 | | |
| 335 | G | 26.6 | Very low | 25.4 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -161.9 | 100.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 336 | E | 25.6 | Very low | 25.5 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | 3.6 | 121.3 | 154.9 | -55.7 | 177.8 | 151.3 | 0 | 0 | 118 | | |
| 337 | N | 28.9 | Very low | 25.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | | -178.8 | 146.9 | 111 | -99.1 | -47 | 0 | 0 | 0 | 113.5 | | |
| 338 | E | 26.8 | Very low | 25.8 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -62.7 | 161.5 | -175.3 | -58.4 | 176.9 | 139.2 | 0 | 0 | 114.8 | | |
| 339 | T | 25.1 | Very low | 25.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | 90.1 | 106 | 153.7 | -16.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 340 | G | 26.3 | Very low | 26 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | 162.6 | 94.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 341 | T | 26.6 | Very low | 25.9 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 50.8 | 100.4 | 150 | 55.1 | 0 | 0 | 0 | 0 | 119.2 | T343 | T341-T343 PolarHBondContact O-N 3.42Š|
| 342 | S | 24.6 | Very low | 26 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -69.3 | 105.9 | 158.2 | 173 | 0 | 0 | 0 | 0 | 110 | K344 | S342-K344 PolarHBondContact O-N 3.43Š|
| 343 | T | 27 | Very low | 26.1 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -83.3 | 97.5 | 164.2 | -43.3 | 0 | 0 | 0 | 0 | 107.3 | T341 Q345 | T341-T343 PolarHBondContact O-N 3.42Å; T343-Q345 PolarHBondContact O-N 2.99Å |
| 344 | K | 25.5 | Very low | 26.1 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -63.9 | 113.5 | 170.1 | -72.6 | -176.7 | 176.1 | -175.7 | 0 | 108.6 | S342 | S342-K344 PolarHBondContact O-N 3.43Š|
| 345 | Q | 25.6 | Very low | 26.2 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -57.7 | 136.9 | 160 | -81.4 | 177.2 | -52.5 | 0 | 0 | 108.7 | T343 I347 | T343-Q345 PolarHBondContact O-N 2.99Å; Q345-I347 PolarHBondContact O-N 3.26Å |
| 346 | P | 25.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | trans | -65.8 | 108.3 | 172.1 | 25.6 | -30 | 0 | 0 | 0 | 108.7 | I348 | P346-I348 PolarHBondContact O-N 2.99Š|
| 347 | I | 24.9 | Very low | 26.3 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | -65.2 | 103.3 | 161.5 | -60.6 | 171.6 | 0 | 0 | 0 | 105.3 | Q345 N349 | Q345-I347 PolarHBondContact O-N 3.26Å; I347-N349 VanDerWaalsContact C-N 3.3Å; I347-N349 PolarHBondContact O-N 3.1Å |
| 348 | I | 27.9 | Very low | 26.3 | Very low | 137 Ų | 137 | 130 Ų | 130 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | | | trans | -70.4 | 95.2 | 172.4 | -57.6 | 173.5 | 0 | 0 | 0 | 105.8 | P346 G350 | P346-I348 PolarHBondContact O-N 2.99Å; I348-G350 PolarHBondContact O-N 2.93Å |
| 349 | N | 25.9 | Very low | 26.3 | Very low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | trans | -55.6 | 125.3 | 171 | -81.2 | -23.1 | 0 | 0 | 0 | 108.9 | I347 T351 | I347-N349 VanDerWaalsContact C-N 3.3Å; I347-N349 PolarHBondContact O-N 3.1Å; N349-T351 PolarHBondContact O-N 2.93Å |
| 350 | G | 25.4 | Very low | 26.4 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | -49.9 | 123.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I348 V352 | I348-G350 PolarHBondContact O-N 2.93Å; G350-V352 PolarHBondContact O-N 2.8Å |
| 351 | T | 25.2 | Very low | 26.8 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -70.3 | 100.4 | 165.1 | -53.4 | 0 | 0 | 0 | 0 | 106.8 | N349 L353 | N349-T351 PolarHBondContact O-N 2.93Å; T351-L353 PolarHBondContact O-N 2.93Å; T351-L353 VanDerWaalsContact O-N 3.1Å |
| 352 | V | 24 | Very low | 27.1 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | | | trans | -67.6 | 106.6 | 170.3 | -175.2 | 0 | 0 | 0 | 0 | 107.1 | G350 N354 | G350-V352 PolarHBondContact O-N 2.8Å; V352-N354 HydrophobicContact CG1-CB 4.33Å; V352-N354 VanDerWaalsContact CG1-CG 3.44Å; V352-N354 WeakPolarHBondContact CG1-OD1 3.02Å; V352-N354 PolarHBondContact O-N 3.29Å |
| 353 | L | 29.1 | Very low | 27.5 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -69.7 | 70.4 | 167.4 | -85.8 | 160.3 | 0 | 0 | 0 | 109.3 | T351 G355 | T351-L353 PolarHBondContact O-N 2.93Å; T351-L353 VanDerWaalsContact O-N 3.1Å; L353-G355 PolarHBondContact O-N 2.82Å |
| 354 | N | 26.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -80.1 | 107.2 | 165.8 | -81.5 | -11.3 | 0 | 0 | 0 | 107.7 | V352 | V352-N354 HydrophobicContact CG1-CB 4.33Å; V352-N354 VanDerWaalsContact CG1-CG 3.44Å; V352-N354 WeakPolarHBondContact CG1-OD1 3.02Å; V352-N354 PolarHBondContact O-N 3.29Å |
| 355 | G | 27.2 | Very low | 28.1 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | 148.8 | 7.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 119 | L353 | L353-G355 PolarHBondContact O-N 2.82Š|
| 356 | L | 28.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -100.1 | 75.8 | 168.5 | -131.5 | 83.7 | 0 | 0 | 0 | 110 | I358 | L356-I358 HydrophobicContact CD2-CD1 4.33Å; L356-I358 HydrophobicContact CD2-CG1 4.38Å; L356-I358 WeakPolarHBondContact O-CG1 3.24Å; L356-I358 PolarHBondContact O-N 3.36Å |
| 357 | D | 25.3 | Very low | 28.7 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -74.9 | 94.2 | 170.2 | -164.9 | -3.4 | 0 | 0 | 0 | 108.9 | S359 | D357-S359 VanDerWaalsContact OD1-CB 3.24Å; D357-S359 WeakPolarHBondContact OD1-CB 3.19Å; D357-S359 PolarHBondContact OD1-N 3.38Å; D357-S359 PolarHBondContact OD1-OG 3.18Å |
| 358 | I | 29.9 | Very low | 29.1 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | -86.2 | 9.3 | 176.9 | -13.3 | 176.2 | 0 | 0 | 0 | 111.4 | L356 T360 | L356-I358 HydrophobicContact CD2-CD1 4.33Å; L356-I358 HydrophobicContact CD2-CG1 4.38Å; L356-I358 WeakPolarHBondContact O-CG1 3.24Å; L356-I358 PolarHBondContact O-N 3.36Å; I358-T360 VanDerWaalsContact C-N 3.35Å; I358-T360 PolarHBondContact O-N 3.44Å; I358-T360 VanDerWaalsContact O-N 3.11Å |
| 359 | S | 26.5 | Very low | 29.6 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | | | trans | -87.6 | 45.8 | -169.5 | 78.7 | 0 | 0 | 0 | 0 | 115.3 | D357 | D357-S359 VanDerWaalsContact OD1-CB 3.24Å; D357-S359 WeakPolarHBondContact OD1-CB 3.19Å; D357-S359 PolarHBondContact OD1-N 3.38Å; D357-S359 PolarHBondContact OD1-OG 3.18Å |
| 360 | T | 26.7 | Very low | 29.9 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -140.1 | 61.9 | 168.7 | 45.1 | 0 | 0 | 0 | 0 | 112.4 | I358 | I358-T360 VanDerWaalsContact C-N 3.35Å; I358-T360 PolarHBondContact O-N 3.44Å; I358-T360 VanDerWaalsContact O-N 3.11Å |
| 361 | K | 35 | Very low | 30.7 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -121.3 | 112.6 | 156.3 | -82.4 | -173.8 | 177.6 | 179.5 | 0 | 110.1 | N363 | K361-N363 PolarHBondContact O-N 3.01Å; K361-N363 VanDerWaalsContact O-N 3.1Å |
| 362 | K | 31.9 | Very low | 31.1 | Very low | 209 Ų | 209 | 147.2 Ų | 147.2 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -53.5 | 111.8 | 171.3 | -69.9 | 176.3 | 177.1 | 173.2 | 0 | 109.2 | K364 | K362-K364 PolarHBondContact O-N 3.27Š|
| 363 | N | 32.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 150.9 Ų | 150.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -64.3 | 102.1 | 169.8 | -80.2 | -9.9 | 0 | 0 | 0 | 109.3 | K361 K365 | K361-N363 PolarHBondContact O-N 3.01Å; K361-N363 VanDerWaalsContact O-N 3.1Å; N363-K365 PolarHBondContact O-N 2.97Å |
| 364 | K | 33.5 | Very low | 32.2 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -71.1 | 111.2 | 170.4 | -158.2 | 174.8 | -175.8 | -178.5 | 0 | 107.1 | K362 C366 | K362-K364 PolarHBondContact O-N 3.27Å; K364-C366 PolarHBondContact O-N 3.14Å |
| 365 | K | 31.8 | Very low | 32.6 | Very low | 201 Ų | 201 | 151.4 Ų | 151.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -72.2 | 102.1 | -176.1 | -164 | 169.7 | -170.3 | 166.2 | 0 | 110.1 | N363 | N363-K365 PolarHBondContact O-N 2.97Š|
| 366 | C | 30.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -87.3 | 124.9 | 170.2 | -71.4 | 0 | 0 | 0 | 0 | 110 | K364 | K364-C366 PolarHBondContact O-N 3.14Š|
| 367 | K | 34.7 | Very low | 33.9 | Very low | 199 Ų | 199 | 155.2 Ų | 155.2 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | | | trans | -86.5 | 116 | 169.4 | -84 | -179.8 | 174.2 | 177 | 0 | 108.3 | K369 | K367-K369 PolarHBondContact O-N 3.35Š|
| 368 | T | 33.2 | Very low | 34.9 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | | | trans | -71.8 | 115 | 170.2 | -37.7 | 0 | 0 | 0 | 0 | 109 | | |
| 369 | K | 37.2 | Very low | 35.5 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -86.3 | 131.7 | 162.9 | -86.1 | -173.6 | 176.9 | 178.7 | 0 | 107.9 | K367 S371 | K367-K369 PolarHBondContact O-N 3.35Å; K369-S371 PolarHBondContact O-N 3.37Å |
| 370 | V | 33.7 | Very low | 36.3 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | | | trans | -70.9 | 101.1 | 170.3 | 179 | 0 | 0 | 0 | 0 | 107.9 | | |
| 371 | S | 41.2 | Very low | 37.1 | Very low | 96 Ų | 96 | 158.3 Ų | 158.3 | 67% | 0.671 | 82% | 0.817 | S | S | * | * | | | trans | -173.2 | 129.9 | 155.3 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | K369 | K369-S371 PolarHBondContact O-N 3.37Š|
| 372 | D | 33.8 | Very low | 37.5 | Very low | 157 Ų | 157 | 154 Ų | 154 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | | | trans | -44 | 152.3 | 171.7 | -54.7 | -61.7 | 0 | 0 | 0 | 112.4 | | |
| 373 | E | 41.3 | Very low | 38.1 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | 104.3 | 93 | 179.9 | -56.3 | -175.9 | 176.8 | 0 | 0 | 114.7 | E375 | E373-E375 PolarHBondContact O-N 3.45Š|
| 374 | T | 34.1 | Very low | 38.5 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -64.5 | 97.2 | 164.1 | 40.5 | 0 | 0 | 0 | 0 | 111 | | |
| 375 | E | 36.5 | Very low | 39.2 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -116.3 | 89.5 | 154.8 | -75.3 | -171.2 | 164.9 | 0 | 0 | 108.1 | E373 | E373-E375 PolarHBondContact O-N 3.45Š|
| 376 | C | 41.5 | Very low | 39.8 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -100.3 | 93.2 | 160.9 | -74.1 | 0 | 0 | 0 | 0 | 107 | S378 | C376-S378 PolarHBondContact O-N 3.3Š|
| 377 | E | 41.8 | Very low | 40.7 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -55.7 | 109.1 | 161.7 | -67.7 | -172.3 | 148.9 | 0 | 0 | 107.6 | E379 | E377-E379 VanDerWaalsContact C-N 3.33Å; E377-E379 PolarHBondContact O-N 3.17Å |
| 378 | S | 44.6 | Very low | 41.5 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -68.4 | 97.6 | 164.5 | 39 | 0 | 0 | 0 | 0 | 107.3 | C376 S380 | C376-S378 PolarHBondContact O-N 3.3Å; S378-S380 PolarHBondContact O-N 3.25Å |
| 379 | E | 42.6 | Very low | 42.3 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -60.3 | 92.2 | 162.3 | -67 | -176.2 | 175.4 | 0 | 0 | 107.2 | E377 E381 | E377-E379 VanDerWaalsContact C-N 3.33Å; E377-E379 PolarHBondContact O-N 3.17Å; E379-E381 PolarHBondContact O-N 3.18Å; E379-E381 VanDerWaalsContact O-N 3.13Å |
| 380 | S | 44.8 | Very low | 43 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | trans | -64.3 | 103.3 | 159.6 | 53.5 | 0 | 0 | 0 | 0 | 106.7 | S378 T382 | S378-S380 PolarHBondContact O-N 3.25Å; S380-T382 PolarHBondContact O-N 3.4Å; S380-T382 PolarHBondContact O-OG1 3.45Å |
| 381 | E | 42.5 | Very low | 44 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -67.1 | 83.6 | 157 | -68.6 | -168.9 | 168.3 | 0 | 0 | 107 | E379 E383 | E379-E381 PolarHBondContact O-N 3.18Å; E379-E381 VanDerWaalsContact O-N 3.13Å; E381-E383 PolarHBondContact O-N 3.29Å |
| 382 | T | 42.9 | Very low | 44.6 | Very low | 101 Ų | 101 | 151.3 Ų | 151.3 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | | | trans | -61.6 | 110.7 | 153.6 | 14 | 0 | 0 | 0 | 0 | 106.4 | S380 D384 | S380-T382 PolarHBondContact O-N 3.4Å; S380-T382 PolarHBondContact O-OG1 3.45Å; T382-D384 PolarHBondContact O-N 3.18Å |
| 383 | E | 44.6 | Very low | 45.5 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | -60.6 | 97.8 | 157.3 | -80.1 | -170.6 | 160.2 | 0 | 0 | 107.3 | E381 N385 | E381-E383 PolarHBondContact O-N 3.29Å; E383-N385 PolarHBondContact O-N 3.03Å |
| 384 | D | 42.2 | Very low | 46 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | -62.5 | 81.1 | 166.5 | -79.5 | -36.2 | 0 | 0 | 0 | 109.2 | T382 K386 | T382-D384 PolarHBondContact O-N 3.18Å; D384-K386 PolarHBondContact O-N 3.1Å |
| 385 | N | 47.7 | Very low | 47 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -77.4 | 78.3 | 158.4 | -77.1 | -22.6 | 0 | 0 | 0 | 108.3 | E383 E387 | E383-N385 PolarHBondContact O-N 3.03Å; N385-E387 VanDerWaalsContact C-N 3.3Å; N385-E387 PolarHBondContact O-N 2.72Å; N385-E387 VanDerWaalsContact O-N 3.14Å |
| 386 | K | 45.3 | Very low | 48 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | | | trans | -75.4 | 83.9 | 166.4 | -165.8 | -178.1 | -173.8 | -174.4 | 0 | 107.6 | D384 | D384-K386 PolarHBondContact O-N 3.1Š|
| 387 | E | 49.4 | Very low | 48.8 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | -90.5 | 109.3 | 168.1 | -134.2 | 172.5 | -160.6 | 0 | 0 | 108.4 | N385 S389 | N385-E387 VanDerWaalsContact C-N 3.3Å; N385-E387 PolarHBondContact O-N 2.72Å; N385-E387 VanDerWaalsContact O-N 3.14Å; E387-S389 PolarHBondContact O-N 3.22Å |
| 388 | E | 51.1 | Low | 49.6 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -57.7 | 115.2 | 175.3 | -74.8 | 167.3 | 148.1 | 0 | 0 | 110.2 | D390 | E388-D390 PolarHBondContact O-N 3.49Å; E388-D390 VanDerWaalsContact O-N 3.13Å |
| 389 | S | 49.6 | Very low | 50.1 | Low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -81.1 | 80.7 | 158.8 | 55 | 0 | 0 | 0 | 0 | 108.5 | E387 K391 | E387-S389 PolarHBondContact O-N 3.22Å; S389-K391 PolarHBondContact O-N 3.31Å |
| 390 | D | 52.5 | Low | 50.8 | Low | 133 Ų | 133 | 144.5 Ų | 144.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | -69.7 | 110.5 | 163.6 | -81.3 | -21.9 | 0 | 0 | 0 | 108.4 | E388 | E388-D390 PolarHBondContact O-N 3.49Å; E388-D390 VanDerWaalsContact O-N 3.13Å |
| 391 | K | 53.9 | Low | 51.6 | Low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | | | trans | -97 | 97.4 | 165 | -74.9 | -179.3 | -179.1 | 168.4 | 0 | 106.5 | S389 | S389-K391 PolarHBondContact O-N 3.31Š|
| 392 | D | 53.6 | Low | 52.4 | Low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -144.2 | 142.5 | 160 | -87 | -38 | 0 | 0 | 0 | 110.8 | | |
| 393 | D | 52.9 | Low | 53.4 | Low | 127 Ų | 127 | 149.3 Ų | 149.3 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | | | trans | 86.7 | 99.3 | 154.8 | -67.1 | -25.7 | 0 | 0 | 0 | 121.4 | | |
| 394 | N | 52.7 | Low | 53.8 | Low | 136 Ų | 136 | 152.4 Ų | 152.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | | 63.5 | 115.9 | 117.2 | -61.7 | -33.1 | 0 | 0 | 0 | 118.4 | | |
| 395 | S | 55.4 | Low | 54.4 | Low | 121 Ų | 121 | 153.1 Ų | 153.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | | -156.3 | 115.6 | 129.9 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 396 | D | 56.5 | Low | 54.7 | Low | 162 Ų | 162 | 153.3 Ų | 153.3 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -45.4 | 143.7 | 162.1 | -76.8 | -51.6 | 0 | 0 | 0 | 112.6 | | |
| 397 | S | 58.9 | Low | 55.2 | Low | 107 Ų | 107 | 151.4 Ų | 151.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -166.9 | 100 | 136.2 | 32.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 398 | D | 57.2 | Low | 55.6 | Low | 146 Ų | 146 | 149.1 Ų | 149.1 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | | 52.7 | 110.2 | 119 | -65.1 | -20.4 | 0 | 0 | 0 | 119.1 | | |
| 399 | N | 56.9 | Low | 55.9 | Low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | | 80.8 | 107 | 110.6 | -140 | 33.3 | 0 | 0 | 0 | 116.8 | | |
| 400 | E | 55.5 | Low | 56.3 | Low | 148 Ų | 148 | 151.4 Ų | 151.4 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | | | | 149.5 | 154.2 | 111.3 | -68.8 | -113.3 | 172 | 0 | 0 | 112.1 | | |
| 401 | D | 62.3 | Low | 56.5 | Low | 144 Ų | 144 | 152.7 Ų | 152.7 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | trans | 91 | 90.1 | 163.6 | -61.6 | -25.8 | 0 | 0 | 0 | 118.8 | | |
| 402 | D | 60.1 | Low | 56.7 | Low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -16.3 | 143.7 | 133.8 | -71.9 | -42.8 | 0 | 0 | 0 | 115.7 | | |
| 403 | E | 62.4 | Low | 57 | Low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | 165.9 | 95.9 | 131.6 | -77.3 | -100.9 | -179.5 | 0 | 0 | 109.3 | | |
| 404 | D | 53.4 | Low | 57.4 | Low | 238 Ų | 238 | 151.9 Ų | 151.9 | 100% | 1.273 | 83% | 0.826 | S | S | * | * | | | trans | 162.9 | 0 | 133.9 | -97.5 | -25.9 | 0 | 0 | 0 | 113.5 | | |