| 1 | M | 69.9 | Low | 93.1 | Very high | 194 Ų | 194 | 99.2 Ų | 99.2 | 96% | 0.956 | 55% | 0.548 | S | S | * | . | | | | 0 | 139.8 | 0 | -64.4 | -166.8 | -162.3 | 0 | 0 | 109.2 | E5 | M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CB-CB 4.28Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 VanDerWaalsContact CG-OE2 3.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.07Å |
| 2 | T | 90.3 | Very high | 93.5 | Very high | 74 Ų | 74 | 100.5 Ų | 100.5 | 45% | 0.454 | 55% | 0.553 | S | S | . | * | | | trans | -76.8 | 162.8 | 171 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | L4 E5 I6 | T2-L4 PolarHBondContact O-N 3.35Å; T2-E5 VanDerWaalsContact CB-OE1 3.25Å; T2-E5 WeakPolarHBondContact CB-OE1 3.19Å; T2-E5 VanDerWaalsContact CG2-OE1 3.32Å; T2-E5 WeakPolarHBondContact CG2-OE1 3.32Å; T2-E5 PolarHBondContact N-OE1 3.27Å; T2-E5 PolarHBondContact N-OE2 3.03Å; T2-E5 PolarHBondContact O-N 3.09Å; T2-E5 PolarHBondContact OG1-N 3.26Å; T2-E5 PolarHBondContact OG1-OE1 2.67Å; T2-I6 PolarHBondContact O-N 3.11Å |
| 3 | V | 91.4 | Very high | 93.8 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.1 | -28.9 | 174.1 | -179 | 0 | 0 | 0 | 0 | 111.6 | T7 | V3-T7 WeakPolarHBondContact O-CB 3.32Å; V3-T7 PolarHBondContact O-N 3.19Å; V3-T7 PolarHBondContact O-OG1 3.43Å |
| 4 | L | 93.4 | Very high | 94.1 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.5 | -41.5 | 177.3 | -62.3 | 175 | 0 | 0 | 0 | 112.2 | T2 T7 L8 | T2-L4 PolarHBondContact O-N 3.35Å; L4-T7 PolarHBondContact O-N 3.1Å; L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.38Å |
| 5 | E | 96.1 | Very high | 94.4 | Very high | 86 Ų | 86 | 100.1 Ų | 100.1 | 40% | 0.402 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.4 | -45.3 | 176 | -71.5 | 146.9 | -113.8 | 0 | 0 | 111.4 | M1 T2 L8 A9 | M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CB-CB 4.28Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 VanDerWaalsContact CG-OE2 3.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.07Å; T2-E5 VanDerWaalsContact CB-OE1 3.25Å; T2-E5 WeakPolarHBondContact CB-OE1 3.19Å; T2-E5 VanDerWaalsContact CG2-OE1 3.32Å; T2-E5 WeakPolarHBondContact CG2-OE1 3.32Å; T2-E5 PolarHBondContact N-OE1 3.27Å; T2-E5 PolarHBondContact N-OE2 3.03Å; T2-E5 PolarHBondContact O-N 3.09Å; T2-E5 PolarHBondContact OG1-N 3.26Å; T2-E5 PolarHBondContact OG1-OE1 2.67Å; E5-L8 PolarHBondContact O-N 2.89Å; E5-A9 WeakPolarHBondContact O-CB 3.38Å; E5-A9 PolarHBondContact O-N 3.32Å |
| 6 | I | 95.9 | Very high | 94.7 | Very high | 96 Ų | 96 | 96.3 Ų | 96.3 | 49% | 0.492 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.1 | -61.9 | 167.1 | 0 | 0 | 0 | 110.3 | T2 A9 V10 | T2-I6 PolarHBondContact O-N 3.11Å; I6-A9 PolarHBondContact O-N 3.5Å; I6-V10 WeakPolarHBondContact O-CG2 3.42Å; I6-V10 PolarHBondContact O-N 2.98Å |
| 7 | T | 96.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 96.6 Ų | 96.6 | 41% | 0.405 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | V3 L4 V10 I11 | V3-T7 WeakPolarHBondContact O-CB 3.32Å; V3-T7 PolarHBondContact O-N 3.19Å; V3-T7 PolarHBondContact O-OG1 3.43Å; L4-T7 PolarHBondContact O-N 3.1Å; T7-V10 PolarHBondContact O-N 3.1Å; T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.44Å; T7-I11 PolarHBondContact O-N 3.43Å |
| 8 | L | 97.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 175.7 | -75.4 | 167.5 | 0 | 0 | 0 | 111.8 | L4 E5 V10 I11 L12 | L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.38Å; E5-L8 PolarHBondContact O-N 2.89Å; L8-V10 PolarHBondContact O-N 2.89Å; L8-I11 PolarHBondContact O-N 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.11Å |
| 9 | A | 96.9 | Very high | 95.2 | Very high | 53 Ų | 53 | 93.7 Ų | 93.7 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E5 I6 L12 T13 | E5-A9 WeakPolarHBondContact O-CB 3.38Å; E5-A9 PolarHBondContact O-N 3.32Å; I6-A9 PolarHBondContact O-N 3.5Å; A9-L12 PolarHBondContact O-N 3.46Å; A9-T13 WeakPolarHBondContact O-CB 3.46Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.3Å |
| 10 | V | 97.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 93.6 Ų | 93.6 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | I6 T7 L8 L12 T13 L14 | I6-V10 WeakPolarHBondContact O-CG2 3.42Å; I6-V10 PolarHBondContact O-N 2.98Å; T7-V10 PolarHBondContact O-N 3.1Å; L8-V10 PolarHBondContact O-N 2.89Å; V10-L12 PolarHBondContact O-N 3.1Å; V10-T13 PolarHBondContact O-N 2.97Å; V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 WeakPolarHBondContact O-CG 3.32Å; V10-L14 PolarHBondContact O-N 3.04Å |
| 11 | I | 98 | Very high | 95.5 | Very high | 95 Ų | 95 | 91.6 Ų | 91.6 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.8 | -70.2 | 166.7 | 0 | 0 | 0 | 111.2 | T7 L8 L14 L15 | T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.44Å; T7-I11 PolarHBondContact O-N 3.43Å; L8-I11 PolarHBondContact O-N 3.22Å; I11-L14 PolarHBondContact O-N 3.37Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 PolarHBondContact O-N 3.24Å |
| 12 | L | 97.9 | Very high | 96.8 | Very high | 115 Ų | 115 | 87.7 Ų | 87.7 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 178 | -70.3 | 170 | 0 | 0 | 0 | 112 | L8 A9 V10 L15 G16 | L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.11Å; A9-L12 PolarHBondContact O-N 3.46Å; V10-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-G16 PolarHBondContact O-N 3.08Å |
| 13 | T | 98.2 | Very high | 97.1 | Very high | 88 Ų | 88 | 89 Ų | 89 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | A9 V10 L15 G16 L17 | A9-T13 WeakPolarHBondContact O-CB 3.46Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.3Å; V10-T13 PolarHBondContact O-N 2.97Å; T13-L15 PolarHBondContact O-N 3.18Å; T13-G16 PolarHBondContact O-N 2.55Å; T13-L17 HydrophobicContact CG2-CD1 4.17Å; T13-L17 WeakPolarHBondContact O-CG 3.39Å; T13-L17 PolarHBondContact O-N 3.23Å |
| 14 | L | 97.9 | Very high | 97.4 | Very high | 108 Ų | 108 | 88.1 Ų | 88.1 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 177.7 | -70.1 | 171.8 | 0 | 0 | 0 | 112 | V10 I11 L17 A18 | V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 WeakPolarHBondContact O-CG 3.32Å; V10-L14 PolarHBondContact O-N 3.04Å; I11-L14 PolarHBondContact O-N 3.37Å; L14-L17 PolarHBondContact O-N 3.18Å; L14-A18 WeakPolarHBondContact O-CB 3.46Å; L14-A18 PolarHBondContact O-N 3.22Å |
| 15 | L | 98.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 86.1 Ų | 86.1 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 175.7 | -177.5 | 61.7 | 0 | 0 | 0 | 111.9 | I11 L12 T13 A18 I19 | I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 3.45Å; T13-L15 PolarHBondContact O-N 3.18Å; L15-A18 PolarHBondContact O-N 3.14Å; L15-I19 HydrophobicContact CD1-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.49Å |
| 16 | G | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 91 Ų | 91 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L12 T13 I19 L20 | L12-G16 PolarHBondContact O-N 3.08Å; T13-G16 PolarHBondContact O-N 2.55Å; G16-I19 PolarHBondContact O-N 3.47Å; G16-L20 WeakPolarHBondContact O-CB 3.38Å; G16-L20 PolarHBondContact O-N 2.96Å |
| 17 | L | 98.2 | Very high | 97.4 | Very high | 101 Ų | 101 | 93.9 Ų | 93.9 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.5 | -70.5 | 171.3 | 0 | 0 | 0 | 112.4 | T13 L14 L20 A21 | T13-L17 HydrophobicContact CG2-CD1 4.17Å; T13-L17 WeakPolarHBondContact O-CG 3.39Å; T13-L17 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 3.18Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.31Å; L17-A21 PolarHBondContact O-N 3.44Å |
| 18 | A | 98.2 | Very high | 97.1 | Very high | 50 Ų | 50 | 92.7 Ų | 92.7 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 L15 A21 I22 | L14-A18 WeakPolarHBondContact O-CB 3.46Å; L14-A18 PolarHBondContact O-N 3.22Å; L15-A18 PolarHBondContact O-N 3.14Å; A18-A21 PolarHBondContact O-N 3.47Å; A18-I22 WeakPolarHBondContact O-CG1 3.28Å; A18-I22 PolarHBondContact O-N 3.34Å; A18-I22 VanDerWaalsContact O-N 3.09Å |
| 19 | I | 98.2 | Very high | 96.6 | Very high | 89 Ų | 89 | 96.3 Ų | 96.3 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.2 | -67.2 | 165.3 | 0 | 0 | 0 | 110.4 | L15 G16 A21 I22 L23 | L15-I19 HydrophobicContact CD1-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.49Å; G16-I19 PolarHBondContact O-N 3.47Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.04Å; I19-I22 PolarHBondContact O-N 3.07Å; I19-L23 HydrophobicContact CG2-CD1 4.04Å; I19-L23 HydrophobicContact CG2-CG 4.43Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.11Å |
| 20 | L | 98 | Very high | 95.9 | Very high | 91 Ų | 91 | 97 Ų | 97 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 177.3 | -177.9 | 60 | 0 | 0 | 0 | 112.1 | G16 L17 L23 L24 | G16-L20 WeakPolarHBondContact O-CB 3.38Å; G16-L20 PolarHBondContact O-N 2.96Å; L17-L20 PolarHBondContact O-N 3.28Å; L20-L23 PolarHBondContact O-N 2.99Å; L20-L24 HydrophobicContact CD1-CD1 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.28Å; L20-L24 HydrophobicContact CG-CD1 3.99Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 3.3Å |
| 21 | A | 97.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 98.2 Ų | 98.2 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L17 A18 I19 T25 | L17-A21 WeakPolarHBondContact O-CB 3.31Å; L17-A21 PolarHBondContact O-N 3.44Å; A18-A21 PolarHBondContact O-N 3.47Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.04Å; A21-T25 WeakPolarHBondContact O-CB 3.37Å; A21-T25 WeakPolarHBondContact O-CG2 3.49Å; A21-T25 PolarHBondContact O-N 3.29Å; A21-T25 PolarHBondContact O-OG1 3.26Å |
| 22 | I | 97.4 | Very high | 94.1 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 174.4 | -67.1 | 164.4 | 0 | 0 | 0 | 110.8 | A18 I19 T25 R26 | A18-I22 WeakPolarHBondContact O-CG1 3.28Å; A18-I22 PolarHBondContact O-N 3.34Å; A18-I22 VanDerWaalsContact O-N 3.09Å; I19-I22 PolarHBondContact O-N 3.07Å; I22-T25 PolarHBondContact O-OG1 3.41Å; I22-T25 VanDerWaalsContact O-OG1 3.11Å; I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.35Å; I22-R26 PolarHBondContact O-N 3.07Å |
| 23 | L | 97.3 | Very high | 92.8 | Very high | 101 Ų | 101 | 96.3 Ų | 96.3 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 176.5 | -69.2 | 174.1 | 0 | 0 | 0 | 112 | I19 L20 R26 W27 | I19-L23 HydrophobicContact CG2-CD1 4.04Å; I19-L23 HydrophobicContact CG2-CG 4.43Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.11Å; L20-L23 PolarHBondContact O-N 2.99Å; L23-R26 PolarHBondContact O-N 2.89Å; L23-W27 VanDerWaalsContact O-CB 3.28Å; L23-W27 WeakPolarHBondContact O-CB 3.29Å; L23-W27 PolarHBondContact O-N 3.48Å |
| 24 | L | 96.9 | Very high | 91 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.2 | -75.7 | 169.2 | 0 | 0 | 0 | 112.3 | L20 W27 A28 | L20-L24 HydrophobicContact CD1-CD1 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.28Å; L20-L24 HydrophobicContact CG-CD1 3.99Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 3.3Å; L24-W27 PolarHBondContact O-N 3.43Å; L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.21Å |
| 25 | T | 95.3 | Very high | 89.1 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | 177.1 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | A21 I22 R29 | A21-T25 WeakPolarHBondContact O-CB 3.37Å; A21-T25 WeakPolarHBondContact O-CG2 3.49Å; A21-T25 PolarHBondContact O-N 3.29Å; A21-T25 PolarHBondContact O-OG1 3.26Å; I22-T25 PolarHBondContact O-OG1 3.41Å; I22-T25 VanDerWaalsContact O-OG1 3.11Å; T25-R29 WeakPolarHBondContact O-CB 3.46Å; T25-R29 PolarHBondContact O-N 3.4Å; T25-R29 VanDerWaalsContact O-N 3.15Å |
| 26 | R | 95.1 | Very high | 86.9 | Confident | 189 Ų | 189 | 102.7 Ų | 102.7 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -42.3 | 171.7 | -173.3 | 175.8 | 179.7 | 178 | -0.7 | 112 | I22 L23 R29 C30 | I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.35Å; I22-R26 PolarHBondContact O-N 3.07Å; L23-R26 PolarHBondContact O-N 2.89Å; R26-R29 PolarHBondContact O-N 2.69Å; R26-C30 WeakPolarHBondContact O-CB 3.36Å; R26-C30 PolarHBondContact O-N 3.38Å |
| 27 | W | 95.2 | Very high | 84.6 | Confident | 155 Ų | 155 | 106.4 Ų | 106.4 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -45.8 | 177.1 | 177.3 | 83.7 | 0 | 0 | 0 | 112.1 | L23 L24 R29 C30 K31 | L23-W27 VanDerWaalsContact O-CB 3.28Å; L23-W27 WeakPolarHBondContact O-CB 3.29Å; L23-W27 PolarHBondContact O-N 3.48Å; L24-W27 PolarHBondContact O-N 3.43Å; W27-R29 VanDerWaalsContact C-N 3.31Å; W27-R29 PolarHBondContact O-N 3.42Å; W27-C30 WeakPolarHBondContact O-CB 3.34Å; W27-C30 PolarHBondContact O-N 2.95Å; W27-C30 VanDerWaalsContact O-N 3.13Å; W27-K31 HydrophobicContact CH2-CD 3.81Å; W27-K31 HydrophobicContact CZ2-CD 3.81Å; W27-K31 HydrophobicContact CZ3-CD 4.31Å; W27-K31 WeakPolarHBondContact O-CB 3.41Å; W27-K31 PolarHBondContact O-N 3.41Å |
| 28 | A | 90.1 | Very high | 82.4 | Confident | 41 Ų | 41 | 105.6 Ų | 105.6 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L24 Q32 | L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.21Å; A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 WeakPolarHBondContact O-CG 3.35Å; A28-Q32 PolarHBondContact O-N 3.19Å |
| 29 | R | 87.5 | Confident | 80.2 | Confident | 184 Ų | 184 | 111.6 Ų | 111.6 | 69% | 0.694 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 174.1 | -167.5 | -174.5 | -58 | -177.6 | 2.4 | 112.3 | T25 R26 W27 Q32 S33 | T25-R29 WeakPolarHBondContact O-CB 3.46Å; T25-R29 PolarHBondContact O-N 3.4Å; T25-R29 VanDerWaalsContact O-N 3.15Å; R26-R29 PolarHBondContact O-N 2.69Å; W27-R29 VanDerWaalsContact C-N 3.31Å; W27-R29 PolarHBondContact O-N 3.42Å; R29-Q32 PolarHBondContact O-N 3.07Å; R29-S33 PolarHBondContact O-N 2.99Å |
| 30 | C | 82.9 | Confident | 77.5 | Confident | 66 Ų | 66 | 115.6 Ų | 115.6 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.8 | -51.8 | 176.1 | -161.2 | 0 | 0 | 0 | 0 | 111 | R26 W27 Q32 S33 E34 | R26-C30 WeakPolarHBondContact O-CB 3.36Å; R26-C30 PolarHBondContact O-N 3.38Å; W27-C30 WeakPolarHBondContact O-CB 3.34Å; W27-C30 PolarHBondContact O-N 2.95Å; W27-C30 VanDerWaalsContact O-N 3.13Å; C30-Q32 VanDerWaalsContact C-N 3.31Å; C30-Q32 PolarHBondContact O-N 2.62Å; C30-S33 WeakPolarHBondContact O-CA 3.45Å; C30-S33 WeakPolarHBondContact O-CB 3.39Å; C30-S33 PolarHBondContact O-N 3.14Å; C30-S33 PolarHBondContact O-OG 3.22Å; C30-E34 PolarHBondContact O-N 2.87Å |
| 31 | K | 84.9 | Confident | 75 | Confident | 104 Ų | 104 | 114.9 Ų | 114.9 | 45% | 0.452 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -35.1 | 178.7 | -170.3 | 170.5 | -175.8 | 174.2 | 0 | 113.2 | W27 M35 | W27-K31 HydrophobicContact CH2-CD 3.81Å; W27-K31 HydrophobicContact CZ2-CD 3.81Å; W27-K31 HydrophobicContact CZ3-CD 4.31Å; W27-K31 WeakPolarHBondContact O-CB 3.41Å; W27-K31 PolarHBondContact O-N 3.41Å; K31-M35 PolarHBondContact O-N 3.33Å |
| 32 | Q | 71.9 | Confident | 72.8 | Confident | 119 Ų | 119 | 115.5 Ų | 115.5 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -42.4 | 169.4 | -76.8 | 177.2 | -12.4 | 0 | 0 | 111.8 | A28 R29 C30 E34 M35 Y36 | A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 WeakPolarHBondContact O-CG 3.35Å; A28-Q32 PolarHBondContact O-N 3.19Å; R29-Q32 PolarHBondContact O-N 3.07Å; C30-Q32 VanDerWaalsContact C-N 3.31Å; C30-Q32 PolarHBondContact O-N 2.62Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 3.38Å; Q32-M35 PolarHBondContact O-N 3.18Å; Q32-M35 VanDerWaalsContact O-N 3.17Å; Q32-Y36 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y36 PolarHBondContact O-N 3.3Å |
| 33 | S | 70.3 | Confident | 70.3 | Confident | 52 Ų | 52 | 115.1 Ų | 115.1 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.4 | -37 | 179.9 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | R29 C30 Y36 I37 | R29-S33 PolarHBondContact O-N 2.99Å; C30-S33 WeakPolarHBondContact O-CA 3.45Å; C30-S33 WeakPolarHBondContact O-CB 3.39Å; C30-S33 PolarHBondContact O-N 3.14Å; C30-S33 PolarHBondContact O-OG 3.22Å; S33-Y36 PolarHBondContact O-N 3.3Å; S33-I37 WeakPolarHBondContact O-CB 3.32Å; S33-I37 WeakPolarHBondContact O-CD1 3.38Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.46Å; S33-I37 PolarHBondContact O-N 3.45Å |
| 34 | E | 62 | Low | 68.1 | Low | 120 Ų | 120 | 116.6 Ų | 116.6 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57.5 | -50.6 | 171.4 | -66 | 172.8 | 150.2 | 0 | 0 | 111.2 | C30 Q32 Y36 I37 S38 | C30-E34 PolarHBondContact O-N 2.87Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 3.38Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.34Å; E34-I37 PolarHBondContact O-N 3.34Å; E34-S38 PolarHBondContact O-N 2.99Å; E34-S38 VanDerWaalsContact O-N 3.1Å; E34-S38 PolarHBondContact O-OG 3.12Å |
| 35 | M | 58 | Low | 65.9 | Low | 134 Ų | 134 | 116 Ų | 116 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.5 | -35.9 | 178.9 | -67 | -176.2 | 69.8 | 0 | 0 | 113.6 | K31 Q32 | K31-M35 PolarHBondContact O-N 3.33Å; Q32-M35 PolarHBondContact O-N 3.18Å; Q32-M35 VanDerWaalsContact O-N 3.17Å |
| 36 | Y | 52.4 | Low | 63.6 | Low | 175 Ų | 175 | 115.1 Ų | 115.1 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.3 | -37.8 | 177.2 | -89.4 | -81.4 | 0 | 0 | 0 | 112.5 | Q32 S33 E34 S38 R39 Y40 | Q32-Y36 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y36 PolarHBondContact O-N 3.3Å; S33-Y36 PolarHBondContact O-N 3.3Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.34Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; Y36-R39 PolarHBondContact O-N 3.46Å; Y36-Y40 PolarHBondContact O-N 3.34Å |
| 37 | I | 50 | Low | 61.4 | Low | 117 Ų | 117 | 115.9 Ų | 115.9 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.3 | -41.2 | 175.5 | -70.8 | 164.5 | 0 | 0 | 0 | 110.7 | S33 E34 R39 Y40 S41 | S33-I37 WeakPolarHBondContact O-CB 3.32Å; S33-I37 WeakPolarHBondContact O-CD1 3.38Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.46Å; S33-I37 PolarHBondContact O-N 3.45Å; E34-I37 PolarHBondContact O-N 3.34Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 2.96Å; I37-Y40 PolarHBondContact O-N 3.42Å; I37-S41 PolarHBondContact O-N 3.17Å; I37-S41 VanDerWaalsContact O-N 3.12Å |
| 38 | S | 51.9 | Low | 59 | Low | 84 Ų | 84 | 115.7 Ų | 115.7 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.1 | -37.3 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | E34 Y36 S42 | E34-S38 PolarHBondContact O-N 2.99Å; E34-S38 VanDerWaalsContact O-N 3.1Å; E34-S38 PolarHBondContact O-OG 3.12Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; S38-S42 PolarHBondContact O-N 3.2Å |
| 39 | R | 50.6 | Low | 56.9 | Low | 176 Ų | 176 | 121.1 Ų | 121.1 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.9 | -48.9 | 175 | -75.2 | -162.2 | 176.1 | -150.2 | 0.9 | 112.1 | Y36 I37 S41 S42 E43 | Y36-R39 PolarHBondContact O-N 3.46Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 2.96Å; R39-S41 PolarHBondContact O-N 3.1Å; R39-S42 PolarHBondContact O-N 3.07Å; R39-S42 PolarHBondContact O-OG 3.19Å; R39-E43 PolarHBondContact O-N 3.19Å |
| 40 | Y | 41.5 | Very low | 54.9 | Low | 174 Ų | 174 | 118.9 Ų | 118.9 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.5 | -29 | -176.5 | -131.6 | -87.3 | 0 | 0 | 0 | 113.3 | Y36 I37 | Y36-Y40 PolarHBondContact O-N 3.34Å; I37-Y40 PolarHBondContact O-N 3.42Å |
| 41 | S | 45.6 | Very low | 53.1 | Low | 75 Ų | 75 | 124.6 Ų | 124.6 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72 | -33.7 | 172.2 | -168.6 | 0 | 0 | 0 | 0 | 113.2 | I37 R39 S45 | I37-S41 PolarHBondContact O-N 3.17Å; I37-S41 VanDerWaalsContact O-N 3.12Å; R39-S41 PolarHBondContact O-N 3.1Å; S41-S45 PolarHBondContact O-N 3.3Å; S41-S45 PolarHBondContact O-OG 3.39Å |
| 42 | S | 51.1 | Low | 51.3 | Low | 65 Ų | 65 | 129 Ų | 129 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.1 | -39.2 | 179.6 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | S38 R39 Q44 S45 A46 | S38-S42 PolarHBondContact O-N 3.2Å; R39-S42 PolarHBondContact O-N 3.07Å; R39-S42 PolarHBondContact O-OG 3.19Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 2.96Å; S42-S45 PolarHBondContact O-N 2.88Å; S42-A46 WeakPolarHBondContact O-CB 3.42Å; S42-A46 PolarHBondContact O-N 2.65Å |
| 43 | E | 46.8 | Very low | 49.9 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 48% | 0.481 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -72.7 | -22.6 | -177.6 | -67.8 | 179 | -164.3 | 0 | 0 | 113.6 | R39 R47 | R39-E43 PolarHBondContact O-N 3.19Å; E43-R47 WeakPolarHBondContact O-CD 3.05Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å |
| 44 | Q | 50.8 | Low | 48.8 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 62% | 0.617 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.6 | -50.5 | 169.4 | -74.4 | -72.3 | -14.5 | 0 | 0 | 111.2 | S42 A46 R47 L48 | S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 2.96Å; Q44-A46 VanDerWaalsContact C-N 3.29Å; Q44-A46 PolarHBondContact O-N 3.15Å; Q44-R47 PolarHBondContact O-N 2.95Å; Q44-L48 PolarHBondContact O-N 3.43Å |
| 45 | S | 49.5 | Very low | 48 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61.8 | -35.8 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | S41 S42 R47 | S41-S45 PolarHBondContact O-N 3.3Å; S41-S45 PolarHBondContact O-OG 3.39Å; S42-S45 PolarHBondContact O-N 2.88Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.39Å |
| 46 | A | 48.4 | Very low | 47.4 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 55% | 0.554 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -17.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S42 Q44 | S42-A46 WeakPolarHBondContact O-CB 3.42Å; S42-A46 PolarHBondContact O-N 2.65Å; Q44-A46 VanDerWaalsContact C-N 3.29Å; Q44-A46 PolarHBondContact O-N 3.15Å |
| 47 | R | 47.7 | Very low | 46.5 | Very low | 205 Ų | 205 | 130.5 Ų | 130.5 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -1.2 | -179.3 | -74.5 | -178.5 | 176.6 | -163 | 0.4 | 114.3 | E43 Q44 S45 | E43-R47 WeakPolarHBondContact O-CD 3.05Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å; Q44-R47 PolarHBondContact O-N 2.95Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.39Å |
| 48 | L | 45.4 | Very low | 46.2 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -92.9 | -10.3 | -178.7 | -164.7 | 61.5 | 0 | 0 | 0 | 113.4 | Q44 | Q44-L48 PolarHBondContact O-N 3.43Š|
| 49 | L | 45.2 | Very low | 45.9 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -97.1 | -21.3 | -172.7 | -141.6 | 77.5 | 0 | 0 | 0 | 114.6 | | |
| 50 | D | 46.3 | Very low | 45.6 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -106 | 36.6 | -169.2 | -64.9 | -26.2 | 0 | 0 | 0 | 113.4 | | |
| 51 | Y | 45.1 | Very low | 45.5 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | | | trans | -139.1 | 48.8 | -179.9 | -138.2 | -82.6 | 0 | 0 | 0 | 115.5 | | |
| 52 | E | 47.5 | Very low | 45.2 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | | | trans | -119.6 | 67.3 | 159.4 | -86.8 | -68 | 148.7 | 0 | 0 | 110 | | |
| 53 | D | 41.6 | Very low | 44.7 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -137.2 | 140.2 | 152.1 | -169.8 | 15.1 | 0 | 0 | 0 | 110.5 | R55 | D53-R55 PolarHBondContact O-N 2.95Š|
| 54 | G | 47.1 | Very low | 44.5 | Very low | 54 Ų | 54 | 148.4 Ų | 148.4 | 56% | 0.557 | 76% | 0.757 | S | S | * | * | | | trans | -91.9 | 97.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 55 | R | 46.3 | Very low | 44.2 | Very low | 226 Ų | 226 | 148 Ų | 148 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -155.3 | 129.4 | 145.7 | -122.6 | 148.5 | -77.8 | -144.1 | 2.8 | 112.5 | D53 | D53-R55 PolarHBondContact O-N 2.95Š|
| 56 | G | 43.7 | Very low | 43.5 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -91.1 | 157 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 57 | S | 34.8 | Very low | 43.1 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | | | trans | -138.6 | 158.8 | 153.5 | -169.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 58 | R | 43.1 | Very low | 42.7 | Very low | 225 Ų | 225 | 149.3 Ų | 149.3 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | | | trans | -108.4 | 147.3 | -176.5 | -63.7 | -178.7 | -178.2 | 179.7 | 1 | 111.4 | | |
| 59 | H | 45.1 | Very low | 42.7 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | 72.3 | 155.3 | 162.5 | -70.1 | -5.2 | 0 | 0 | 0 | 118.2 | | |
| 60 | A | 44.7 | Very low | 42.4 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | trans | 61.8 | 136 | -162.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 61 | Y | 39.3 | Very low | 42.1 | Very low | 218 Ų | 218 | 146.4 Ų | 146.4 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -135 | 83.8 | 15.8 | -71.2 | -97.9 | 0 | 0 | 0 | 112.8 | | |
| 62 | H | 39.7 | Very low | 41.9 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -125.9 | 53.9 | 169.5 | -162.1 | -70.4 | 0 | 0 | 0 | 112.2 | | |
| 63 | K | 39.9 | Very low | 41.9 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -143.6 | -0.9 | 177 | -142.2 | -179.2 | -179.2 | -176.9 | 0 | 116.5 | | |
| 64 | V | 44 | Very low | 42 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -83.9 | -47.1 | -180 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | L66 H67 | V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 2.85Å; V64-H67 PolarHBondContact O-N 3.31Å |
| 65 | T | 43.1 | Very low | 41.6 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -24 | -171.5 | -31.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 66 | L | 36.6 | Very low | 41 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 58% | 0.576 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -17.6 | -177.3 | -103.5 | 156.5 | 0 | 0 | 0 | 114.2 | V64 T70 | V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 2.85Å; L66-T70 PolarHBondContact O-OG1 2.86Å |
| 67 | H | 39 | Very low | 40.7 | Very low | 123 Ų | 123 | 156 Ų | 156 | 57% | 0.569 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -78.6 | -21.2 | -175.8 | -150.6 | -74.1 | 0 | 0 | 0 | 113.7 | V64 E71 | V64-H67 PolarHBondContact O-N 3.31Å; H67-E71 IonicContact CE1-OE1 2.97Å |
| 68 | M | 40 | Very low | 40.5 | Very low | 150 Ų | 150 | 159.6 Ų | 159.6 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -78.8 | -15.9 | -179.3 | -87.1 | -105.4 | 60.9 | 0 | 0 | 114.6 | | |
| 69 | I | 45.1 | Very low | 40.3 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 67% | 0.672 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -98.3 | -35.9 | -174 | -61 | -179.7 | 0 | 0 | 0 | 111.4 | | |
| 70 | T | 39.3 | Very low | 39.8 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -75.5 | -32 | -174.6 | -41.8 | 0 | 0 | 0 | 0 | 113.9 | L66 R72 I73 | L66-T70 PolarHBondContact O-OG1 2.86Å; T70-R72 PolarHBondContact O-N 3.38Å; T70-R72 VanDerWaalsContact O-N 3.12Å; T70-I73 PolarHBondContact O-N 2.82Å |
| 71 | E | 38.3 | Very low | 39.2 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -13.2 | -174.9 | -73.2 | -155 | 145.8 | 0 | 0 | 115.2 | H67 | H67-E71 IonicContact CE1-OE1 2.97Š|
| 72 | R | 41.4 | Very low | 38.8 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -13.1 | 175.7 | -73.8 | -163.8 | 178.8 | -160.6 | 1.3 | 114.5 | T70 | T70-R72 PolarHBondContact O-N 3.38Å; T70-R72 VanDerWaalsContact O-N 3.12Å |
| 73 | I | 47.1 | Very low | 38.4 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 80% | 0.795 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -139.8 | 57.5 | -175 | -39.3 | 179.7 | 0 | 0 | 0 | 112.5 | T70 | T70-I73 PolarHBondContact O-N 2.82Š|
| 74 | S | 43.6 | Very low | 37.8 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | trans | -166.1 | 97.8 | 142.6 | -166.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 75 | K | 38.6 | Very low | 37.2 | Very low | 213 Ų | 213 | 145 Ų | 145 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | | | trans | -138.2 | 72.5 | 152.1 | -75.5 | -165.9 | 178 | 178.9 | 0 | 109.1 | | |
| 76 | R | 35.3 | Very low | 36.5 | Very low | 226 Ų | 226 | 142.4 Ų | 142.4 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -119.1 | 148.4 | 153.6 | -84.6 | -173.7 | 174.5 | 145.8 | 0.2 | 107.6 | Y78 | R76-Y78 PolarHBondContact O-N 2.96Š|
| 77 | D | 36.3 | Very low | 36.2 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | | | trans | -69.8 | 120.1 | -162.9 | -51.4 | -87.7 | 0 | 0 | 0 | 111.7 | | |
| 78 | Y | 30.6 | Very low | 35.7 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | trans | -140.7 | 105.6 | 168.2 | -164.3 | -95.1 | 0 | 0 | 0 | 109.9 | R76 P80 | R76-Y78 PolarHBondContact O-N 2.96Å; Y78-P80 HydrophobicContact CE1-CB 4.49Å; Y78-P80 WeakPolarHBondContact O-CD 2.93Å |
| 79 | T | 39.1 | Very low | 35.3 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -93.4 | 101.3 | 174.7 | 32.7 | 0 | 0 | 0 | 0 | 109.8 | S81 | T79-S81 PolarHBondContact O-N 3.37Š|
| 80 | P | 35.4 | Very low | 34.6 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -67 | 122.1 | 169.2 | 28.5 | -33.3 | 0 | 0 | 0 | 109.2 | Y78 | Y78-P80 HydrophobicContact CE1-CB 4.49Å; Y78-P80 WeakPolarHBondContact O-CD 2.93Å |
| 81 | S | 30.6 | Very low | 34.1 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | -81.1 | 144.6 | -171.8 | -174.6 | 0 | 0 | 0 | 0 | 113.3 | T79 | T79-S81 PolarHBondContact O-N 3.37Š|
| 82 | T | 30.8 | Very low | 33.8 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 64% | 0.644 | 78% | 0.777 | S | S | * | * | | | trans | 60.9 | 116.5 | 145.1 | 45 | 0 | 0 | 0 | 0 | 122.1 | | |
| 83 | N | 32.4 | Very low | 33.2 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | | 96.8 | 154.7 | 120.4 | -65.3 | -8.4 | 0 | 0 | 0 | 122.3 | | |
| 84 | S | 27.9 | Very low | 32.3 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 71.4 | 138.6 | -177.6 | 73.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 85 | L | 30.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | cis | -164.2 | 164.5 | -6.3 | -110.8 | 174.5 | 0 | 0 | 0 | 106.6 | | |
| 86 | A | 29 | Very low | 31.7 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | | | cis | -160.8 | 177.8 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 87 | L | 30.7 | Very low | 31.3 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | 70.4 | 123 | 146.1 | -72.6 | 166.3 | 0 | 0 | 0 | 123.7 | | |
| 88 | S | 27.5 | Very low | 30.8 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | trans | 81.9 | 112.8 | 136.2 | -67.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 89 | R | 32.7 | Very low | 30.6 | Very low | 235 Ų | 235 | 126.7 Ų | 126.7 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | | | trans | 44.8 | 133.6 | 130.8 | -64.5 | 178.9 | 172.5 | -176.7 | -3.5 | 119.2 | | |
| 90 | S | 28.8 | Very low | 30 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | cis | 174.8 | 157 | 1.1 | 41.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 91 | S | 30.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -173 | -148.1 | -11.7 | 55.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 92 | I | 31.2 | Very low | 29.9 | Very low | 163 Ų | 163 | 128 Ų | 128 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | 83.2 | 137.1 | 168.8 | -62.3 | 170.6 | 0 | 0 | 0 | 118.1 | | |
| 93 | A | 28.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | 70.3 | 84.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 94 | L | 28.7 | Very low | 29.6 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -74.6 | 161 | 140.2 | -95.3 | 167.1 | 0 | 0 | 0 | 109.5 | Q96 | L94-Q96 HydrophobicContact CD2-CG 4.44Š|
| 95 | P | 41.4 | Very low | 29.5 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | | -117.5 | 159.8 | 59.7 | 5.8 | 19.1 | 0 | 0 | 0 | 113.4 | | |
| 96 | Q | 29.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | | 55.7 | 139.9 | 65.4 | -53.2 | 179.6 | -21.5 | 0 | 0 | 113.2 | L94 | L94-Q96 HydrophobicContact CD2-CG 4.44Š|
| 97 | G | 25.4 | Very low | 29.1 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | | | cis | -161.7 | -145.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 98 | S | 26.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | cis | 167.9 | 123.7 | 0.9 | 163.8 | 0 | 0 | 0 | 0 | 105.6 | | |
| 99 | M | 27.1 | Very low | 28.8 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | 66.4 | 138.9 | 162.9 | -57.4 | -172.4 | 83.2 | 0 | 0 | 117.1 | | |
| 100 | S | 26.5 | Very low | 28.4 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | | 68.9 | 153.8 | 97.8 | 97 | 0 | 0 | 0 | 0 | 115 | | |
| 101 | S | 29 | Very low | 29.8 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | cis | -143.9 | 161 | 10.8 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 102 | I | 35 | Very low | 30.3 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -73.2 | 143.9 | 162 | -61.2 | 162.9 | 0 | 0 | 0 | 109.6 | | |
| 103 | K | 28.9 | Very low | 30.1 | Very low | 190 Ų | 190 | 128.1 Ų | 128.1 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | | | trans | 143.6 | 152.6 | 155.4 | -84 | 160.8 | -177.1 | 179.3 | 0 | 109.9 | | |
| 104 | C | 26.8 | Very low | 30.3 | Very low | 98 Ų | 98 | 135 Ų | 135 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | | | cis | -178.3 | -173.2 | -24.9 | -104.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 105 | L | 27.1 | Very low | 30.3 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | 77.9 | 148.4 | 164.5 | -46.1 | 179.8 | 0 | 0 | 0 | 114.7 | | |
| 106 | Q | 27.3 | Very low | 29.7 | Very low | 156 Ų | 156 | 133 Ų | 133 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | | | cis | -155.5 | 170.5 | -3.4 | -126.9 | 163.7 | -30.7 | 0 | 0 | 114.5 | | |
| 107 | T | 24 | Very low | 29.8 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | trans | -32.7 | 168.9 | 158.1 | 51.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 108 | T | 23.6 | Very low | 30 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | cis | -178.5 | -175.9 | -17.5 | -72.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 109 | E | 27.1 | Very low | 30.1 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | 86.7 | 156.7 | 166.4 | -64.6 | -58.9 | 109.2 | 0 | 0 | 119 | | |
| 110 | E | 25.5 | Very low | 30.4 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -127.3 | -129.8 | -154.2 | -164.3 | -136.1 | 164.1 | 0 | 0 | 115 | | |
| 111 | P | 57 | Low | 30.6 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 56% | 0.558 | 77% | 0.769 | S | S | * | * | | | | -101.7 | -173.1 | -129.3 | 42.5 | -31.3 | 0 | 0 | 0 | 114.6 | | |
| 112 | P | 41.2 | Very low | 30.7 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | | -149.5 | 129.4 | 96.5 | 36.6 | -18.3 | 0 | 0 | 0 | 118 | | |
| 113 | S | 27.7 | Very low | 30.4 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | trans | 54.1 | 135.6 | 131.7 | 75.9 | 0 | 0 | 0 | 0 | 124.8 | | |
| 114 | R | 31.3 | Very low | 30.5 | Very low | 237 Ų | 237 | 135.2 Ų | 135.2 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | | | trans | 72 | 154.2 | 140.4 | -77.9 | -179.3 | 176.7 | -173.9 | -0.9 | 118.3 | | |
| 115 | T | 28.9 | Very low | 31.2 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | cis | -150.7 | 152.9 | 2.2 | -120.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 116 | A | 28.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | 19.5 | 139.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 117 | G | 30.8 | Very low | 31.7 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | | | trans | -176.4 | 62.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 118 | A | 31.2 | Very low | 32.2 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -101.7 | 136.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 119 | M | 28.5 | Very low | 32.6 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 93% | 0.931 | 80% | 0.796 | S | S | * | * | | | trans | -132.3 | 125.2 | 154.1 | -80 | -169.6 | 68.7 | 0 | 0 | 109.5 | | |
| 120 | M | 31.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | -88.8 | 144.8 | 174.2 | -61.8 | 155.6 | 59.6 | 0 | 0 | 109.8 | F122 | M120-F122 HydrophobicContact CE-CD2 4.35Å; M120-F122 HydrophobicContact CE-CE2 3.74Å |
| 121 | Q | 32.3 | Very low | 33.9 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | -139 | 147 | 134 | -75 | -150.7 | 14.8 | 0 | 0 | 110 | | |
| 122 | F | 29.5 | Very low | 32.9 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -86.1 | 145.4 | 179.1 | -89.8 | -114.1 | 0 | 0 | 0 | 110.8 | M120 | M120-F122 HydrophobicContact CE-CD2 4.35Å; M120-F122 HydrophobicContact CE-CE2 3.74Å |
| 123 | T | 29.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | | 176.2 | 150 | 120.6 | -72.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 124 | A | 31.9 | Very low | 33.6 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | | | trans | -132.9 | -174.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 125 | P | 41.3 | Very low | 34.2 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | | -127.9 | 152.5 | -64.3 | 36.1 | -23.7 | 0 | 0 | 0 | 112.5 | | |
| 126 | I | 29.8 | Very low | 35 | Very low | 172 Ų | 172 | 134 Ų | 134 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | -135.7 | 144.3 | 165.7 | -60.1 | -176.9 | 0 | 0 | 0 | 110 | | |
| 127 | Q | 33.7 | Very low | 35.7 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | -84.1 | 161.1 | -172.3 | -56.5 | 165.4 | -77.2 | 0 | 0 | 113.9 | | |
| 128 | P | 34.2 | Very low | 36.5 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | -121.8 | 105.5 | 148.7 | 34.1 | -21.1 | 0 | 0 | 0 | 111.6 | | |
| 129 | E | 33.5 | Very low | 37.4 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | trans | -126.3 | 98.6 | 172 | -177.3 | 175.3 | -155.9 | 0 | 0 | 110.3 | | |
| 130 | L | 36.8 | Very low | 38.4 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | -162.8 | 61.2 | 173.9 | -127.2 | 172.3 | 0 | 0 | 0 | 113.8 | | |
| 131 | Q | 41.9 | Very low | 39.2 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | | | trans | -131.2 | -13.6 | 173 | -68.9 | -163.8 | 5.4 | 0 | 0 | 116.6 | | |
| 132 | D | 36.9 | Very low | 40 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 33.9 | -168.9 | -155.3 | 6.4 | 0 | 0 | 0 | 116.5 | S135 | D132-S135 VanDerWaalsContact OD1-CB 3.31Å; D132-S135 WeakPolarHBondContact OD1-CB 3.32Å; D132-S135 PolarHBondContact OD1-OG 3.13Å |
| 133 | L | 38.7 | Very low | 41.1 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -15.8 | 170.2 | -103.8 | 73.5 | 0 | 0 | 0 | 114.1 | | |
| 134 | S | 44.9 | Very low | 42.4 | Very low | 88 Ų | 88 | 126.5 Ų | 126.5 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -23 | -175.7 | -171.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 135 | S | 43.3 | Very low | 43.9 | Very low | 63 Ų | 63 | 129 Ų | 129 | 44% | 0.441 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -35.7 | -175.4 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | D132 | D132-S135 VanDerWaalsContact OD1-CB 3.31Å; D132-S135 WeakPolarHBondContact OD1-CB 3.32Å; D132-S135 PolarHBondContact OD1-OG 3.13Å |
| 136 | S | 45.7 | Very low | 44.7 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -44.8 | -168.7 | -167.2 | 0 | 0 | 0 | 0 | 113.7 | K138 K139 | S136-K138 VanDerWaalsContact C-N 3.28Å; S136-K138 PolarHBondContact O-N 3.32Å; S136-K138 VanDerWaalsContact O-N 3.16Å; S136-K139 PolarHBondContact O-N 3.07Å |
| 137 | L | 44.3 | Very low | 46.3 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 69% | 0.686 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -13.8 | -171 | -106.3 | 71 | 0 | 0 | 0 | 115.8 | K139 P140 | L137-K139 PolarHBondContact O-N 2.93Å; L137-P140 WeakPolarHBondContact O-CD 3.41Å; L137-P140 WeakPolarHBondContact O-CG 3.25Å |
| 138 | K | 46.8 | Very low | 48 | Very low | 146 Ų | 146 | 123 Ų | 123 | 64% | 0.635 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.3 | -27.2 | -180 | -71.6 | 174.3 | -179.1 | 165.8 | 0 | 113.4 | S136 | S136-K138 VanDerWaalsContact C-N 3.28Å; S136-K138 PolarHBondContact O-N 3.32Å; S136-K138 VanDerWaalsContact O-N 3.16Å |
| 139 | K | 49.8 | Very low | 49.5 | Very low | 164 Ų | 164 | 124 Ų | 124 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.2 | -41.4 | -177.2 | -65 | 175.3 | -175.8 | 170.9 | 0 | 114.7 | S136 L137 | S136-K139 PolarHBondContact O-N 3.07Å; L137-K139 PolarHBondContact O-N 2.93Å |
| 140 | P | 50.3 | Low | 51 | Low | 73 Ų | 73 | 120.9 Ų | 120.9 | 47% | 0.474 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.3 | -31.9 | 173.8 | 24.9 | -34.4 | 0 | 0 | 0 | 113.4 | L137 C142 K143 L144 | L137-P140 WeakPolarHBondContact O-CD 3.41Å; L137-P140 WeakPolarHBondContact O-CG 3.25Å; P140-C142 PolarHBondContact O-N 3.37Å; P140-K143 PolarHBondContact O-N 3.32Å; P140-L144 PolarHBondContact O-N 3.38Å; P140-L144 VanDerWaalsContact O-N 3.15Å |
| 141 | L | 47.4 | Very low | 52.5 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.4 | -46.2 | -173.6 | -164.1 | 76.2 | 0 | 0 | 0 | 112.6 | K143 L144 Q145 | L141-K143 PolarHBondContact O-N 2.95Å; L141-L144 PolarHBondContact O-N 3.04Å; L141-Q145 PolarHBondContact O-N 3.37Å; L141-Q145 VanDerWaalsContact O-N 3.13Å |
| 142 | C | 50.2 | Low | 53.6 | Low | 75 Ų | 75 | 115.1 Ų | 115.1 | 51% | 0.507 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.7 | -43.2 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 112 | P140 L144 Q145 D146 | P140-C142 PolarHBondContact O-N 3.37Å; C142-L144 VanDerWaalsContact C-N 3.28Å; C142-L144 PolarHBondContact O-N 3.48Å; C142-Q145 PolarHBondContact O-N 2.94Å; C142-Q145 VanDerWaalsContact O-N 3.08Å; C142-D146 PolarHBondContact O-N 3.09Å |
| 143 | K | 52.9 | Low | 54.8 | Low | 147 Ų | 147 | 113.1 Ų | 113.1 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.9 | -37 | 178.2 | -69.7 | -174.4 | 174.1 | -173.4 | 0 | 112.6 | P140 L141 Q145 L147 | P140-K143 PolarHBondContact O-N 3.32Å; L141-K143 PolarHBondContact O-N 2.95Å; K143-Q145 VanDerWaalsContact C-N 3.34Å; K143-L147 WeakPolarHBondContact O-CB 3.46Å; K143-L147 WeakPolarHBondContact O-CD1 3.33Å; K143-L147 VanDerWaalsContact O-CG 3.23Å; K143-L147 WeakPolarHBondContact O-CG 3.35Å; K143-L147 PolarHBondContact O-N 3.21Å |
| 144 | L | 56 | Low | 55.4 | Low | 122 Ų | 122 | 109.5 Ų | 109.5 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.7 | -36.7 | 176.5 | -126.7 | 152.5 | 0 | 0 | 0 | 111.4 | P140 L141 C142 L148 | P140-L144 PolarHBondContact O-N 3.38Å; P140-L144 VanDerWaalsContact O-N 3.15Å; L141-L144 PolarHBondContact O-N 3.04Å; C142-L144 VanDerWaalsContact C-N 3.28Å; C142-L144 PolarHBondContact O-N 3.48Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.82Å |
| 145 | Q | 63 | Low | 55.8 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 64% | 0.64 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.6 | -40.1 | 176.5 | -165.5 | 162.3 | 12.6 | 0 | 0 | 112.7 | L141 C142 K143 L148 Y149 | L141-Q145 PolarHBondContact O-N 3.37Å; L141-Q145 VanDerWaalsContact O-N 3.13Å; C142-Q145 PolarHBondContact O-N 2.94Å; C142-Q145 VanDerWaalsContact O-N 3.08Å; K143-Q145 VanDerWaalsContact C-N 3.34Å; Q145-L148 PolarHBondContact O-N 3.35Å; Q145-Y149 WeakPolarHBondContact O-CB 3.32Å; Q145-Y149 PolarHBondContact O-N 3.11Å |
| 146 | D | 58.4 | Low | 56.2 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -42.9 | 173.4 | -68.6 | -35.2 | 0 | 0 | 0 | 111.6 | C142 Y149 N150 | C142-D146 PolarHBondContact O-N 3.09Å; D146-Y149 PolarHBondContact O-N 2.98Å; D146-N150 VanDerWaalsContact O-CB 3.3Å; D146-N150 WeakPolarHBondContact O-CB 3.4Å; D146-N150 PolarHBondContact O-N 3.32Å |
| 147 | L | 64.4 | Low | 56.3 | Low | 122 Ų | 122 | 110.4 Ų | 110.4 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.2 | -43.4 | 175.3 | -77.4 | 168.5 | 0 | 0 | 0 | 111.9 | K143 N150 W151 | K143-L147 WeakPolarHBondContact O-CB 3.46Å; K143-L147 WeakPolarHBondContact O-CD1 3.33Å; K143-L147 VanDerWaalsContact O-CG 3.23Å; K143-L147 WeakPolarHBondContact O-CG 3.35Å; K143-L147 PolarHBondContact O-N 3.21Å; L147-N150 PolarHBondContact O-N 3.41Å; L147-W151 VanDerWaalsContact O-CB 3.29Å; L147-W151 WeakPolarHBondContact O-CB 3.39Å; L147-W151 PolarHBondContact O-N 3.31Å |
| 148 | L | 68.8 | Low | 56.4 | Low | 95 Ų | 95 | 107.3 Ų | 107.3 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.1 | -174.6 | 66.2 | 0 | 0 | 0 | 111.6 | L144 Q145 W151 I152 | L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.82Å; Q145-L148 PolarHBondContact O-N 3.35Å; L148-W151 HydrophobicContact CD1-CE3 4.12Å; L148-W151 PolarHBondContact O-N 3.42Å; L148-I152 HydrophobicContact CD1-CD1 4.4Å; L148-I152 HydrophobicContact CG-CD1 4.11Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.31Å; L148-I152 PolarHBondContact O-N 3Å |
| 149 | Y | 65.4 | Low | 56.1 | Low | 155 Ų | 155 | 104.6 Ų | 104.6 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 176.2 | -175.5 | -103.5 | 0 | 0 | 0 | 111.7 | Q145 D146 I152 Q153 | Q145-Y149 WeakPolarHBondContact O-CB 3.32Å; Q145-Y149 PolarHBondContact O-N 3.11Å; D146-Y149 PolarHBondContact O-N 2.98Å; Y149-I152 PolarHBondContact O-N 3.48Å; Y149-Q153 HydrophobicContact CD1-CG 4.45Å; Y149-Q153 HydrophobicContact CE1-CG 4.15Å; Y149-Q153 VanDerWaalsContact O-CG 3.32Å; Y149-Q153 WeakPolarHBondContact O-CG 3.29Å; Y149-Q153 PolarHBondContact O-N 2.94Å; Y149-Q153 PolarHBondContact OH-NE2 2.99Å |
| 150 | N | 65.6 | Low | 55.7 | Low | 101 Ų | 101 | 103.8 Ų | 103.8 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 178.3 | -158 | -28.1 | 0 | 0 | 0 | 111.5 | D146 L147 I152 Q153 C154 | D146-N150 VanDerWaalsContact O-CB 3.3Å; D146-N150 WeakPolarHBondContact O-CB 3.4Å; D146-N150 PolarHBondContact O-N 3.32Å; L147-N150 PolarHBondContact O-N 3.41Å; N150-I152 PolarHBondContact O-N 3.42Å; N150-Q153 PolarHBondContact O-N 2.94Å; N150-C154 PolarHBondContact O-N 2.93Å; N150-C154 PolarHBondContact O-SG 3Å; N150-C154 VanDerWaalsContact O-SG 3.39Å |
| 151 | W | 67.6 | Low | 55.2 | Low | 152 Ų | 152 | 106.5 Ų | 106.5 | 58% | 0.576 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.8 | -43.4 | 174.6 | -179.3 | 73.1 | 0 | 0 | 0 | 112.8 | L147 L148 C154 Q155 | L147-W151 VanDerWaalsContact O-CB 3.29Å; L147-W151 WeakPolarHBondContact O-CB 3.39Å; L147-W151 PolarHBondContact O-N 3.31Å; L148-W151 HydrophobicContact CD1-CE3 4.12Å; L148-W151 PolarHBondContact O-N 3.42Å; W151-C154 PolarHBondContact O-N 2.97Å; W151-Q155 HydrophobicContact CZ2-CG 4.47Å; W151-Q155 WeakPolarHBondContact O-CG 3.39Å; W151-Q155 PolarHBondContact O-N 2.94Å |
| 152 | I | 65.6 | Low | 54.4 | Low | 76 Ų | 76 | 108.4 Ų | 108.4 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -43.4 | 175.4 | -70.6 | 166.4 | 0 | 0 | 0 | 111 | L148 Y149 N150 Q155 I156 | L148-I152 HydrophobicContact CD1-CD1 4.4Å; L148-I152 HydrophobicContact CG-CD1 4.11Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.31Å; L148-I152 PolarHBondContact O-N 3Å; Y149-I152 PolarHBondContact O-N 3.48Å; N150-I152 PolarHBondContact O-N 3.42Å; I152-Q155 PolarHBondContact O-N 3.01Å; I152-I156 HydrophobicContact CG2-CD1 3.93Å; I152-I156 WeakPolarHBondContact O-CG1 3.37Å; I152-I156 PolarHBondContact O-N 3.37Å; I152-I156 VanDerWaalsContact O-N 3.08Å |
| 153 | Q | 61.4 | Low | 53.4 | Low | 82 Ų | 82 | 111.3 Ų | 111.3 | 38% | 0.383 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.9 | -39.2 | 177 | -65.8 | -69.7 | 5.6 | 0 | 0 | 112.2 | Y149 N150 Q155 I156 A157 | Y149-Q153 HydrophobicContact CD1-CG 4.45Å; Y149-Q153 HydrophobicContact CE1-CG 4.15Å; Y149-Q153 VanDerWaalsContact O-CG 3.32Å; Y149-Q153 WeakPolarHBondContact O-CG 3.29Å; Y149-Q153 PolarHBondContact O-N 2.94Å; Y149-Q153 PolarHBondContact OH-NE2 2.99Å; N150-Q153 PolarHBondContact O-N 2.94Å; Q153-Q155 PolarHBondContact O-N 3.42Å; Q153-I156 PolarHBondContact O-N 3.3Å; Q153-A157 WeakPolarHBondContact O-CB 3.4Å; Q153-A157 PolarHBondContact O-N 2.94Å |
| 154 | C | 52.3 | Low | 52.4 | Low | 65 Ų | 65 | 110.4 Ų | 110.4 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.7 | -41.7 | 173.2 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | N150 W151 A157 S158 | N150-C154 PolarHBondContact O-N 2.93Å; N150-C154 PolarHBondContact O-SG 3Å; N150-C154 VanDerWaalsContact O-SG 3.39Å; W151-C154 PolarHBondContact O-N 2.97Å; C154-A157 PolarHBondContact O-N 3.35Å; C154-S158 PolarHBondContact O-N 3.47Å; C154-S158 PolarHBondContact O-OG 3.39Å |
| 155 | Q | 51.9 | Low | 51 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 48% | 0.481 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -39.9 | 176.6 | -68.3 | -74.1 | 41.8 | 0 | 0 | 112.3 | W151 I152 Q153 A157 S158 S159 | W151-Q155 HydrophobicContact CZ2-CG 4.47Å; W151-Q155 WeakPolarHBondContact O-CG 3.39Å; W151-Q155 PolarHBondContact O-N 2.94Å; I152-Q155 PolarHBondContact O-N 3.01Å; Q153-Q155 PolarHBondContact O-N 3.42Å; Q155-A157 VanDerWaalsContact C-N 3.31Å; Q155-A157 PolarHBondContact O-N 3.46Å; Q155-S158 PolarHBondContact O-N 2.82Å; Q155-S159 WeakPolarHBondContact O-CB 3.3Å; Q155-S159 PolarHBondContact O-N 2.9Å |
| 156 | I | 52.8 | Low | 49.7 | Very low | 87 Ų | 87 | 112.5 Ų | 112.5 | 45% | 0.446 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.9 | -37.5 | 174.8 | -66.6 | 165.8 | 0 | 0 | 0 | 111 | I152 Q153 H160 | I152-I156 HydrophobicContact CG2-CD1 3.93Å; I152-I156 WeakPolarHBondContact O-CG1 3.37Å; I152-I156 PolarHBondContact O-N 3.37Å; I152-I156 VanDerWaalsContact O-N 3.08Å; Q153-I156 PolarHBondContact O-N 3.3Å; I156-H160 PolarHBondContact O-ND1 2.94Å |
| 157 | A | 46.8 | Very low | 48.3 | Very low | 57 Ų | 57 | 114.7 Ų | 114.7 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.1 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q153 C154 Q155 H160 N161 | Q153-A157 WeakPolarHBondContact O-CB 3.4Å; Q153-A157 PolarHBondContact O-N 2.94Å; C154-A157 PolarHBondContact O-N 3.35Å; Q155-A157 VanDerWaalsContact C-N 3.31Å; Q155-A157 PolarHBondContact O-N 3.46Å; A157-H160 PolarHBondContact O-N 3.32Å; A157-N161 PolarHBondContact O-ND2 3.2Å |
| 158 | S | 47.1 | Very low | 46.7 | Very low | 65 Ų | 65 | 116.6 Ų | 116.6 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.3 | -40.7 | 175.4 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | C154 Q155 H160 N161 | C154-S158 PolarHBondContact O-N 3.47Å; C154-S158 PolarHBondContact O-OG 3.39Å; Q155-S158 PolarHBondContact O-N 2.82Å; S158-H160 PolarHBondContact O-N 2.94Å; S158-N161 PolarHBondContact O-N 3.44Å |
| 159 | S | 40.4 | Very low | 45.2 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -9.7 | 179.3 | -171.9 | 0 | 0 | 0 | 0 | 114.8 | Q155 | Q155-S159 WeakPolarHBondContact O-CB 3.3Å; Q155-S159 PolarHBondContact O-N 2.9Å |
| 160 | H | 42 | Very low | 43.5 | Very low | 147 Ų | 147 | 114 Ų | 114 | 68% | 0.681 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 1.7 | 177.9 | -71.8 | 85.5 | 0 | 0 | 0 | 114.1 | I156 A157 S158 | I156-H160 PolarHBondContact O-ND1 2.94Å; A157-H160 PolarHBondContact O-N 3.32Å; S158-H160 PolarHBondContact O-N 2.94Å |
| 161 | N | 39.6 | Very low | 42.3 | Very low | 129 Ų | 129 | 115.2 Ų | 115.2 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | | | trans | -137 | 73.3 | -174.7 | -69.7 | -80.9 | 0 | 0 | 0 | 113.3 | A157 S158 | A157-N161 PolarHBondContact O-ND2 3.2Å; S158-N161 PolarHBondContact O-N 3.44Å |
| 162 | H | 29.8 | Very low | 40.9 | Very low | 160 Ų | 160 | 114.1 Ų | 114.1 | 74% | 0.741 | 65% | 0.646 | S | S | * | * | | | trans | -117.3 | 73.1 | 169 | -79.6 | -63.3 | 0 | 0 | 0 | 112.6 | | |
| 163 | T | 29.9 | Very low | 39.5 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | | | trans | -134.6 | 89.9 | 154.3 | -56 | 0 | 0 | 0 | 0 | 108.2 | H165 | T163-H165 PolarHBondContact O-N 3.39Š|
| 164 | V | 31.2 | Very low | 38.2 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | | | trans | -86.6 | 108.1 | 172 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | L166 | V164-L166 HydrophobicContact CG1-CD1 4.33Š|
| 165 | H | 28.2 | Very low | 37.4 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 79% | 0.787 | 71% | 0.705 | S | S | * | * | | | trans | -123.2 | 126.5 | 159.1 | -157.9 | -68.3 | 0 | 0 | 0 | 107.9 | T163 | T163-H165 PolarHBondContact O-N 3.39Š|
| 166 | L | 34.8 | Very low | 36.7 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | | | trans | -74.5 | 135.2 | 174 | -67.5 | 83.5 | 0 | 0 | 0 | 108.5 | V164 | V164-L166 HydrophobicContact CG1-CD1 4.33Š|
| 167 | Q | 29.9 | Very low | 35.9 | Very low | 156 Ų | 156 | 128 Ų | 128 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | | | | 169.6 | 125.2 | 113.3 | -92.4 | -176.3 | -70.4 | 0 | 0 | 113.9 | | |
| 168 | H | 29.5 | Very low | 35.4 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | 63.6 | 154.6 | 153.8 | -56.5 | -56.4 | 0 | 0 | 0 | 120.5 | | |
| 169 | P | 37.8 | Very low | 34.5 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | -102.4 | 149.4 | -164.7 | 38.3 | -33.1 | 0 | 0 | 0 | 115 | | |
| 170 | G | 29.6 | Very low | 34.2 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -150.4 | 156.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 171 | P | 40.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 156.6 | -173.6 | 29.8 | -35.2 | 0 | 0 | 0 | 113.5 | | |
| 172 | P | 39.3 | Very low | 33.5 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 136.6 | -164 | 31.3 | -36.1 | 0 | 0 | 0 | 114.6 | | |
| 173 | M | 34.3 | Very low | 33.5 | Very low | 187 Ų | 187 | 139 Ų | 139 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 149.3 | 155.7 | -86.8 | -174 | -83.8 | 0 | 0 | 110.6 | | |
| 174 | A | 34.7 | Very low | 33.9 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 143.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I176 | A174-I176 PolarHBondContact O-N 2.95Š|
| 175 | P | 36.3 | Very low | 34.1 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 120 | -178.2 | 29.1 | -34.2 | 0 | 0 | 0 | 112.2 | I177 | P175-I177 PolarHBondContact O-N 3.32Š|
| 176 | I | 36.2 | Very low | 34.4 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | | | trans | -76.7 | 112.8 | 168.4 | -61.1 | 176.2 | 0 | 0 | 0 | 108.4 | A174 I178 | A174-I176 PolarHBondContact O-N 2.95Å; I176-I178 HydrophobicContact CG2-CG1 4.32Å; I176-I178 PolarHBondContact O-N 3Å |
| 177 | I | 36.2 | Very low | 34.8 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -77.8 | 94 | 179.7 | -56.2 | 176.7 | 0 | 0 | 0 | 109.7 | P175 S179 | P175-I177 PolarHBondContact O-N 3.32Å; I177-S179 PolarHBondContact O-N 3.35Å |
| 178 | I | 37.4 | Very low | 35.1 | Very low | 145 Ų | 145 | 135 Ų | 135 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | -78.4 | 107.7 | 168.3 | -58.3 | -179.9 | 0 | 0 | 0 | 108.4 | I176 Q180 | I176-I178 HydrophobicContact CG2-CG1 4.32Å; I176-I178 PolarHBondContact O-N 3Å; I178-Q180 PolarHBondContact O-N 3.4Å |
| 179 | S | 28 | Very low | 35.4 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | | | trans | -71 | 108.3 | 179.6 | -174.7 | 0 | 0 | 0 | 0 | 111 | I177 R181 | I177-S179 PolarHBondContact O-N 3.35Å; S179-R181 PolarHBondContact O-N 2.92Å |
| 180 | Q | 33.2 | Very low | 35.4 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -70 | 109.7 | 172.1 | -69.9 | -163.5 | 56.5 | 0 | 0 | 110.4 | I178 | I178-Q180 PolarHBondContact O-N 3.4Š|
| 181 | R | 33.3 | Very low | 35.8 | Very low | 228 Ų | 228 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -90.9 | 105.4 | 165.4 | -80.1 | -177.7 | 170.3 | 154 | -2.5 | 109.6 | S179 A183 | S179-R181 PolarHBondContact O-N 2.92Å; R181-A183 PolarHBondContact O-N 3.41Å; R181-A183 VanDerWaalsContact O-N 3.07Å |
| 182 | T | 33.9 | Very low | 36 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -64.5 | 106 | 168.1 | -48.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 183 | A | 30.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -121.8 | 97.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R181 Q185 | R181-A183 PolarHBondContact O-N 3.41Å; R181-A183 VanDerWaalsContact O-N 3.07Å; A183-Q185 PolarHBondContact O-N 3.3Å; A183-Q185 VanDerWaalsContact O-N 3.11Å |
| 184 | S | 38.2 | Very low | 36.1 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -72 | 101.9 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 185 | Q | 35.4 | Very low | 36.3 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -135.5 | 137 | 159 | -70.6 | -159.3 | 30.1 | 0 | 0 | 111.2 | A183 | A183-Q185 PolarHBondContact O-N 3.3Å; A183-Q185 VanDerWaalsContact O-N 3.11Å |
| 186 | L | 34.9 | Very low | 36.6 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | 29 | 121.9 | 155 | -70.3 | 144.5 | 0 | 0 | 0 | 118.7 | A188 | L186-A188 PolarHBondContact O-N 2.99Š|
| 187 | A | 42.1 | Very low | 37 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 94% | 0.942 | 78% | 0.777 | S | S | * | * | | | trans | -58.2 | 105 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 188 | A | 35.8 | Very low | 37.2 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | trans | -101.3 | 141.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L186 I190 | L186-A188 PolarHBondContact O-N 2.99Å; A188-I190 PolarHBondContact O-N 3.42Å |
| 189 | P | 36.1 | Very low | 37.6 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | trans | -65.3 | 134.5 | 177.8 | 26.9 | -33.9 | 0 | 0 | 0 | 110.9 | R191 | P189-R191 PolarHBondContact O-N 3.46Š|
| 190 | I | 38.3 | Very low | 38.7 | Very low | 162 Ų | 162 | 140 Ų | 140 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -65.8 | 107.8 | -179.1 | -60.8 | 174.7 | 0 | 0 | 0 | 109.3 | A188 I192 | A188-I190 PolarHBondContact O-N 3.42Å; I190-I192 PolarHBondContact O-N 2.92Å |
| 191 | R | 37.1 | Very low | 40.1 | Very low | 238 Ų | 238 | 134.8 Ų | 134.8 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | | | trans | -86.5 | 92.8 | 178.2 | -153.8 | -179.3 | -161.9 | -172.8 | 5.4 | 109.5 | P189 | P189-R191 PolarHBondContact O-N 3.46Š|
| 192 | I | 44.3 | Very low | 41 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.5 | 171.9 | -55.9 | 176.6 | 0 | 0 | 0 | 108.3 | I190 | I190-I192 PolarHBondContact O-N 2.92Š|
| 193 | P | 37.3 | Very low | 41.5 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -65 | 136.7 | 177.1 | 26.8 | -34.2 | 0 | 0 | 0 | 110.8 | V195 | P193-V195 PolarHBondContact O-N 2.87Š|
| 194 | Q | 38.7 | Very low | 42.3 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 120.8 | 178.5 | -68.4 | -177.9 | -83.1 | 0 | 0 | 110.6 | H196 | Q194-H196 PolarHBondContact O-N 2.78Š|
| 195 | V | 40.1 | Very low | 42.3 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | -84 | 105.8 | 166.7 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | P193 T197 | P193-V195 PolarHBondContact O-N 2.87Å; V195-T197 HydrophobicContact CG1-CG2 4.3Å; V195-T197 PolarHBondContact O-N 3.36Å |
| 196 | H | 42.7 | Very low | 42.7 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | | | trans | -83.7 | 94.4 | 174 | -64.2 | -77.4 | 0 | 0 | 0 | 110.1 | Q194 M198 | Q194-H196 PolarHBondContact O-N 2.78Å; H196-M198 PolarHBondContact O-N 2.6Å |
| 197 | T | 44.2 | Very low | 42.9 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | trans | -76.3 | 98.5 | 165.5 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | V195 | V195-T197 HydrophobicContact CG1-CG2 4.3Å; V195-T197 PolarHBondContact O-N 3.36Å |
| 198 | M | 38.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 77% | 0.768 | 71% | 0.711 | S | S | * | * | | | trans | -79.3 | 127.1 | 175.2 | -170.6 | 147.5 | 66.9 | 0 | 0 | 110.2 | H196 | H196-M198 PolarHBondContact O-N 2.6Š|
| 199 | D | 47.8 | Very low | 43 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 39% | 0.385 | 72% | 0.716 | S | S | . | * | | | trans | -81.9 | 162.4 | 171.8 | 83.3 | -46 | 0 | 0 | 0 | 110.8 | S201 G202 K203 | D199-S201 PolarHBondContact O-N 3.21Å; D199-S201 VanDerWaalsContact O-N 3.14Å; D199-S201 PolarHBondContact OD1-OG 3.18Å; D199-S201 WeakPolarHBondContact OD2-CB 3.23Å; D199-S201 PolarHBondContact OD2-N 3.06Å; D199-S201 PolarHBondContact OD2-OG 3.21Å; D199-G202 PolarHBondContact O-N 3.08Å; D199-G202 PolarHBondContact OD1-N 3.45Å; D199-K203 PolarHBondContact OD1-N 3.32Å |
| 200 | S | 50.1 | Low | 43.4 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 98% | 0.979 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 2.3 | 179.5 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 201 | S | 62.1 | Low | 43.5 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 52% | 0.517 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -6.7 | 169.4 | 86.9 | 0 | 0 | 0 | 0 | 114.3 | D199 | D199-S201 PolarHBondContact O-N 3.21Å; D199-S201 VanDerWaalsContact O-N 3.14Å; D199-S201 PolarHBondContact OD1-OG 3.18Å; D199-S201 WeakPolarHBondContact OD2-CB 3.23Å; D199-S201 PolarHBondContact OD2-N 3.06Å; D199-S201 PolarHBondContact OD2-OG 3.21Å |
| 202 | G | 52.2 | Low | 43.4 | Very low | 51 Ų | 51 | 123.2 Ų | 123.2 | 53% | 0.526 | 70% | 0.702 | S | S | . | * | | | trans | 73.2 | 25.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D199 | D199-G202 PolarHBondContact O-N 3.08Å; D199-G202 PolarHBondContact OD1-N 3.45Å |
| 203 | K | 45.9 | Very low | 43.4 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | | | trans | -105.4 | 108.7 | -177.8 | -73.4 | -177.3 | 179.4 | 176.1 | 0 | 111.2 | D199 T205 | D199-K203 PolarHBondContact OD1-N 3.32Å; K203-T205 PolarHBondContact O-N 3.01Å |
| 204 | I | 46.9 | Very low | 43.3 | Very low | 129 Ų | 129 | 121 Ų | 121 | 66% | 0.662 | 71% | 0.708 | S | S | * | * | | | trans | -74.1 | 92 | 177.4 | -51.5 | 176.5 | 0 | 0 | 0 | 110 | L206 | I204-L206 PolarHBondContact O-N 3.33Å; I204-L206 VanDerWaalsContact O-N 3.1Å |
| 205 | T | 38.4 | Very low | 43 | Very low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | | | trans | -72 | 96.1 | 168.8 | 20.6 | 0 | 0 | 0 | 0 | 110.5 | K203 T207 | K203-T205 PolarHBondContact O-N 3.01Å; T205-T207 PolarHBondContact O-N 3.48Å; T205-T207 VanDerWaalsContact O-N 3.1Å |
| 206 | L | 42.3 | Very low | 42.7 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | | | trans | -66.8 | 104.2 | 168.4 | -80.9 | 166.3 | 0 | 0 | 0 | 110.2 | I204 | I204-L206 PolarHBondContact O-N 3.33Å; I204-L206 VanDerWaalsContact O-N 3.1Å |
| 207 | T | 38.9 | Very low | 42.3 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | | | trans | -66.6 | 135.8 | 165.8 | 42.8 | 0 | 0 | 0 | 0 | 109.9 | T205 | T205-T207 PolarHBondContact O-N 3.48Å; T205-T207 VanDerWaalsContact O-N 3.1Å |
| 208 | P | 43 | Very low | 42.2 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | | | trans | -68.6 | 142.1 | -179.5 | 27.9 | -34.3 | 0 | 0 | 0 | 111.2 | V210 | P208-V210 PolarHBondContact O-N 3.34Å; P208-V210 VanDerWaalsContact O-N 3.1Å |
| 209 | V | 37.9 | Very low | 42.4 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 79% | 0.788 | 73% | 0.726 | S | S | * | * | | | trans | -71.2 | 104.9 | -179.6 | 180 | 0 | 0 | 0 | 0 | 110.1 | I211 | V209-I211 HydrophobicContact CG1-CG1 4.09Å; V209-I211 PolarHBondContact O-N 3.16Å |
| 210 | V | 43.8 | Very low | 42.1 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | -81.3 | 106 | 169.1 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | P208 L212 | P208-V210 PolarHBondContact O-N 3.34Å; P208-V210 VanDerWaalsContact O-N 3.1Å; V210-L212 HydrophobicContact CG1-CD2 3.88Å; V210-L212 HydrophobicContact CG1-CG 4.09Å; V210-L212 PolarHBondContact O-N 2.86Å |
| 211 | I | 41.4 | Very low | 41.4 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | -80.1 | 95.9 | 172.2 | -56.9 | 179.2 | 0 | 0 | 0 | 108.1 | V209 T213 | V209-I211 HydrophobicContact CG1-CG1 4.09Å; V209-I211 PolarHBondContact O-N 3.16Å; I211-T213 PolarHBondContact O-N 3.31Å; I211-T213 VanDerWaalsContact O-N 3.08Å |
| 212 | L | 35.2 | Very low | 40.4 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | -75.2 | 91.4 | 170.8 | -66.6 | 175.9 | 0 | 0 | 0 | 109.8 | V210 G214 | V210-L212 HydrophobicContact CG1-CD2 3.88Å; V210-L212 HydrophobicContact CG1-CG 4.09Å; V210-L212 PolarHBondContact O-N 2.86Å; L212-G214 PolarHBondContact O-N 3.43Å |
| 213 | T | 44.1 | Very low | 39.5 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -61.9 | 127.5 | 158.3 | 47.6 | 0 | 0 | 0 | 0 | 108.5 | I211 | I211-T213 PolarHBondContact O-N 3.31Å; I211-T213 VanDerWaalsContact O-N 3.08Å |
| 214 | G | 34.9 | Very low | 38.9 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | -67 | 140.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L212 | L212-G214 PolarHBondContact O-N 3.43Š|
| 215 | Y | 31.4 | Very low | 38.1 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | 58.1 | 105.8 | 149.4 | -164.6 | -106.9 | 0 | 0 | 0 | 118.4 | | |
| 216 | M | 34.5 | Very low | 37.9 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -127.2 | 152.7 | 140.8 | -80.2 | -66.9 | 142.5 | 0 | 0 | 108 | | |
| 217 | D | 33.7 | Very low | 37.9 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | | | trans | -77 | 164.5 | -169.7 | -143.7 | -12.4 | 0 | 0 | 0 | 113.2 | E219 | D217-E219 PolarHBondContact O-N 2.71Š|
| 218 | E | 42 | Very low | 37.7 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -81.5 | 69.7 | -168.5 | -164.9 | 175.2 | -175.3 | 0 | 0 | 114 | | |
| 219 | E | 43.5 | Very low | 37.3 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -155.1 | 168.4 | 158.2 | -122.4 | 176.4 | -138 | 0 | 0 | 113.7 | D217 | D217-E219 PolarHBondContact O-N 2.71Š|
| 220 | L | 41.6 | Very low | 37.3 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | 70.2 | 27.4 | 177.2 | -51.9 | -175.3 | 0 | 0 | 0 | 119.1 | K222 | L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 3.17Å |
| 221 | A | 35.1 | Very low | 36.7 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -73.5 | 72.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 222 | K | 40.8 | Very low | 36.8 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -156.4 | 129.6 | 170 | -107.9 | 151.5 | -169.7 | 168.1 | 0 | 113.6 | L220 | L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 3.17Å |
| 223 | K | 33.9 | Very low | 36.7 | Very low | 206 Ų | 206 | 152.9 Ų | 152.9 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | 72.7 | 97.8 | 171.3 | -49.3 | 172.5 | -174.2 | 173.7 | 0 | 117.4 | | |
| 224 | S | 33.1 | Very low | 35.9 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | | -174.7 | 130.3 | 116.1 | 55 | 0 | 0 | 0 | 0 | 111.6 | | |
| 225 | C | 31.4 | Very low | 35.7 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 92% | 0.919 | 82% | 0.817 | S | S | * | * | | | trans | -110.3 | 115.2 | 173.4 | -64.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 226 | S | 32.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | | | trans | -139.8 | 83 | 177.1 | -78.5 | 0 | 0 | 0 | 0 | 113.3 | I228 | S226-I228 PolarHBondContact O-N 2.92Å; S226-I228 VanDerWaalsContact O-N 3.11Å |
| 227 | K | 43.4 | Very low | 35.5 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | | | trans | 29.2 | 69.8 | 141.5 | -163.5 | 174.4 | -178.5 | 176.1 | 0 | 117.3 | Q229 | K227-Q229 PolarHBondContact O-N 3.43Š|
| 228 | I | 35 | Very low | 35.3 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | | | trans | -74.5 | 123.2 | 162 | -61 | 177.8 | 0 | 0 | 0 | 108.2 | S226 | S226-I228 PolarHBondContact O-N 2.92Å; S226-I228 VanDerWaalsContact O-N 3.11Å |
| 229 | Q | 34.4 | Very low | 35 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 74% | 0.743 | 83% | 0.828 | S | S | * | * | | | trans | -80.6 | 134.5 | 176.5 | -62.4 | -172 | 29.8 | 0 | 0 | 110.7 | K227 L231 | K227-Q229 PolarHBondContact O-N 3.43Å; Q229-L231 PolarHBondContact O-N 3.4Å |
| 230 | I | 37 | Very low | 34.3 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | | | trans | -76 | 93.5 | 176.5 | -57.5 | 171.3 | 0 | 0 | 0 | 108.4 | K232 | I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 HydrophobicContact CG2-CB 4.4Å; I230-K232 PolarHBondContact O-N 3.43Å |
| 231 | L | 32 | Very low | 33.7 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | trans | -77.2 | 80.1 | 178.4 | -152 | 160.1 | 0 | 0 | 0 | 109.9 | Q229 C233 | Q229-L231 PolarHBondContact O-N 3.4Å; L231-C233 PolarHBondContact O-N 3.02Å |
| 232 | K | 42.2 | Very low | 33.8 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -81.8 | 99.9 | -176.8 | -162.6 | 177.3 | -173.1 | -179.3 | 0 | 109.7 | I230 G234 | I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 HydrophobicContact CG2-CB 4.4Å; I230-K232 PolarHBondContact O-N 3.43Å; K232-G234 PolarHBondContact O-N 2.94Å |
| 233 | C | 33.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -60.2 | 121.1 | 179.6 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | L231 | L231-C233 PolarHBondContact O-N 3.02Š|
| 234 | G | 28 | Very low | 33.1 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | 168.6 | 139 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K232 | K232-G234 PolarHBondContact O-N 2.94Š|
| 235 | G | 29.6 | Very low | 33 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | 105.3 | 104.6 | 170 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 236 | T | 31.6 | Very low | 33.1 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 96% | 0.957 | 76% | 0.759 | S | S | * | * | | | trans | -83.2 | 119.2 | 171.1 | -50 | 0 | 0 | 0 | 0 | 110.3 | | |
| 237 | A | 32.1 | Very low | 33.5 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | | | trans | -153.7 | 153.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 238 | R | 29.5 | Very low | 33.2 | Very low | 216 Ų | 216 | 142.7 Ų | 142.7 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | | | trans | -107.7 | 137.4 | -167.6 | 153.7 | -164.5 | 170.4 | -170.3 | -0.3 | 112.5 | Q240 | R238-Q240 VanDerWaalsContact NH2-OE1 3.09Š|
| 239 | S | 34.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -174.2 | 134 | 148.9 | -162.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 240 | Q | 29.3 | Very low | 33.5 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 62% | 0.621 | 77% | 0.768 | S | S | * | * | | | | 57.3 | 132.1 | 57.5 | -58 | -174.2 | -109.4 | 0 | 0 | 111.7 | R238 | R238-Q240 VanDerWaalsContact NH2-OE1 3.09Š|
| 241 | N | 29.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | cis | -162 | 152.9 | 27.6 | -173.3 | 30 | 0 | 0 | 0 | 113.7 | | |
| 242 | S | 37.4 | Very low | 33.8 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | 51.2 | 163.3 | 152.5 | 69 | 0 | 0 | 0 | 0 | 120.4 | | |
| 243 | R | 31.4 | Very low | 33.3 | Very low | 200 Ų | 200 | 138.1 Ų | 138.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | cis | -156.5 | 135.6 | 13.5 | -153.2 | 151.5 | 173.4 | -158.7 | -14.3 | 107.9 | | |
| 244 | E | 29.1 | Very low | 33.8 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | | 58.8 | 133.7 | 106.7 | -132.7 | 157.6 | -107 | 0 | 0 | 113.9 | | |
| 245 | E | 29.9 | Very low | 34.3 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | | | cis | -165 | 177.6 | 13.8 | -144 | -178.7 | -168.9 | 0 | 0 | 112.8 | | |
| 246 | N | 34.4 | Very low | 34.7 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 49% | 0.487 | 76% | 0.756 | S | S | . | * | | | trans | 59.6 | 115.8 | 152.9 | -64.5 | -36.4 | 0 | 0 | 0 | 120.6 | | |
| 247 | K | 39.7 | Very low | 34.8 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | | | | 72.1 | 107 | 76.8 | -70.6 | 177.8 | -162.5 | 131.3 | 0 | 115.1 | | |
| 248 | E | 38.6 | Very low | 35 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | | | | -157.9 | 164.6 | 112.7 | -170.5 | 147.6 | -138.7 | 0 | 0 | 108.7 | | |
| 249 | A | 37.7 | Very low | 35.1 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -139 | 137.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 250 | L | 36.7 | Very low | 35.2 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 88% | 0.88 | 74% | 0.741 | S | S | * | * | | | trans | -142 | 147 | 161.1 | -137.6 | 121.7 | 0 | 0 | 0 | 112.1 | | |
| 251 | K | 35.9 | Very low | 35.3 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | -86.2 | 150.4 | -176.4 | -52.4 | 162.2 | -173.3 | 171.6 | 0 | 109.3 | | |
| 252 | N | 39.8 | Very low | 35.5 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | | | trans | -146.6 | 111.2 | 148.4 | -89.8 | -51.6 | 0 | 0 | 0 | 107.9 | | |
| 253 | D | 32 | Very low | 35.3 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -75 | 148.3 | -178.4 | -70.5 | -65.6 | 0 | 0 | 0 | 111.6 | I255 | D253-I255 PolarHBondContact O-N 3.48Å; D253-I255 VanDerWaalsContact O-N 3.09Å |
| 254 | I | 44.5 | Very low | 35.3 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | -76 | 98.2 | 177.2 | -57.7 | 172.8 | 0 | 0 | 0 | 108.7 | F256 | I254-F256 HydrophobicContact CG2-CD2 4.27Š|
| 255 | I | 37.3 | Very low | 35.5 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | trans | -97.8 | 106.1 | 170.6 | -55.3 | -176.4 | 0 | 0 | 0 | 109.6 | D253 T257 | D253-I255 PolarHBondContact O-N 3.48Å; D253-I255 VanDerWaalsContact O-N 3.09Å; I255-T257 HydrophobicContact CG2-CG2 3.97Å; I255-T257 PolarHBondContact O-N 3.44Å |
| 256 | F | 37.9 | Very low | 35.8 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | trans | -73 | 109.4 | 166 | -109.4 | -97.5 | 0 | 0 | 0 | 109.5 | I254 | I254-F256 HydrophobicContact CG2-CD2 4.27Š|
| 257 | T | 34 | Very low | 35.7 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | trans | -107.3 | 94.1 | 165.9 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | I255 S259 | I255-T257 HydrophobicContact CG2-CG2 3.97Å; I255-T257 PolarHBondContact O-N 3.44Å; T257-S259 PolarHBondContact O-N 2.88Å |
| 258 | N | 37 | Very low | 35.6 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -67.5 | 114.2 | 158.3 | -68.1 | -43 | 0 | 0 | 0 | 107.6 | | |
| 259 | S | 31.5 | Very low | 35.6 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -120.9 | 135.6 | 165.3 | -163.5 | 0 | 0 | 0 | 0 | 108.9 | T257 | T257-S259 PolarHBondContact O-N 2.88Š|
| 260 | V | 36.6 | Very low | 35.2 | Very low | 125 Ų | 125 | 148 Ų | 148 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | | | trans | -100.9 | 163.9 | -172.8 | -159.7 | 0 | 0 | 0 | 0 | 109 | | |
| 261 | E | 30 | Very low | 35.5 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 70.3 | 97.2 | 148.6 | -164.3 | 161.1 | -139.8 | 0 | 0 | 118.1 | | |
| 262 | S | 33.6 | Very low | 35.4 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | | -177.3 | 123.7 | 115.1 | -83.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 263 | L | 33.8 | Very low | 35.7 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | 45 | 127.4 | 132.2 | -58.1 | 174.5 | 0 | 0 | 0 | 119.1 | | |
| 264 | K | 30.4 | Very low | 35.9 | Very low | 196 Ų | 196 | 150.9 Ų | 150.9 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | cis | -148 | 133.6 | 21.1 | -56.7 | 169.1 | -173.3 | 170.1 | 0 | 110.3 | | |
| 265 | S | 35.2 | Very low | 35.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 132.1 | 163.4 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 266 | A | 35.4 | Very low | 35.7 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 127.9 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 267 | H | 31.3 | Very low | 35.6 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 145.2 | 176.8 | 82.7 | -10.4 | 0 | 0 | 0 | 110.9 | K269 | H267-K269 VanDerWaalsContact NE2-CE 3.32Å; H267-K269 WeakPolarHBondContact NE2-CE 3.33Å |
| 268 | I | 39.2 | Very low | 36 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | | | trans | -118.8 | 122.4 | 155.4 | -62.4 | 178.3 | 0 | 0 | 0 | 104.6 | | |
| 269 | K | 37.6 | Very low | 36.1 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | | | trans | -73.7 | 131.7 | -176.8 | -75.8 | 177 | 168.1 | 178.5 | 0 | 110.4 | H267 | H267-K269 VanDerWaalsContact NE2-CE 3.32Å; H267-K269 WeakPolarHBondContact NE2-CE 3.33Å |
| 270 | E | 29.3 | Very low | 36.7 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | -65.7 | 143 | 153.3 | -67.8 | -169.3 | 109.3 | 0 | 0 | 109.2 | E272 | E270-E272 PolarHBondContact O-N 3.39Š|
| 271 | P | 43.2 | Very low | 36.6 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | -73.8 | 112.2 | 170.1 | 29.2 | -31.9 | 0 | 0 | 0 | 110 | | |
| 272 | E | 33 | Very low | 37.4 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -63 | 140.8 | 176.3 | -65.9 | 178 | 117.6 | 0 | 0 | 111.5 | E270 E274 | E270-E272 PolarHBondContact O-N 3.39Å; E272-E274 PolarHBondContact O-N 2.73Å |
| 273 | R | 46.2 | Very low | 37.8 | Very low | 246 Ų | 246 | 151.3 Ų | 151.3 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | | | trans | -90.9 | 85.1 | 176.9 | -57.1 | -175.8 | -165.7 | 107 | 9.2 | 109.1 | G275 | R273-G275 PolarHBondContact O-N 3.23Š|
| 274 | E | 36.7 | Very low | 38.4 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | -64.9 | 91.7 | 174.3 | -82 | -150 | 144.8 | 0 | 0 | 111.7 | E272 K276 | E272-E274 PolarHBondContact O-N 2.73Å; E274-K276 PolarHBondContact O-N 3.41Å; E274-K276 VanDerWaalsContact O-N 3.14Å; E274-K276 IonicContact OE1-NZ 2.6Å; E274-K276 PolarHBondContact OE1-NZ 3.12Å; E274-K276 IonicContact OE2-NZ 2.67Å; E274-K276 PolarHBondContact OE2-NZ 2.86Å |
| 275 | G | 39.8 | Very low | 38.9 | Very low | 79 Ų | 79 | 151.7 Ų | 151.7 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | -78.2 | 81.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111 | R273 G277 | R273-G275 PolarHBondContact O-N 3.23Å; G275-G277 PolarHBondContact O-N 3.02Å |
| 276 | K | 39 | Very low | 39.2 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 68% | 0.683 | 80% | 0.796 | S | S | * | * | | | trans | -81.7 | 107.7 | 164.7 | -73 | -163.4 | 173.9 | 86.8 | 0 | 109.4 | E274 | E274-K276 PolarHBondContact O-N 3.41Å; E274-K276 VanDerWaalsContact O-N 3.14Å; E274-K276 IonicContact OE1-NZ 2.6Å; E274-K276 PolarHBondContact OE1-NZ 3.12Å; E274-K276 IonicContact OE2-NZ 2.67Å; E274-K276 PolarHBondContact OE2-NZ 2.86Å |
| 277 | G | 35.5 | Very low | 39.2 | Very low | 78 Ų | 78 | 152.6 Ų | 152.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -80.1 | 132.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G275 | G275-G277 PolarHBondContact O-N 3.02Š|
| 278 | T | 41.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | -109 | 123.3 | 161.7 | 49.5 | 0 | 0 | 0 | 0 | 108 | | |
| 279 | D | 38.7 | Very low | 39.4 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -88.7 | 152.9 | 173.1 | -172.5 | 21.8 | 0 | 0 | 0 | 110.1 | | |
| 280 | L | 44.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 64.7 | 146.2 | -170.1 | -44.9 | 176.1 | 0 | 0 | 0 | 112.4 | | |
| 281 | E | 34.9 | Very low | 40.2 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | cis | -131.8 | 151.7 | 19.9 | 180 | 159.9 | -154.4 | 0 | 0 | 112.1 | D283 | E281-D283 PolarHBondContact O-N 2.99Š|
| 282 | K | 47.3 | Very low | 40.2 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | -95.4 | 69.2 | -179.1 | -75.7 | -173.2 | 178.5 | 176.2 | 0 | 111.6 | | |
| 283 | D | 40.9 | Very low | 40.6 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | -69.9 | 137.2 | -175.4 | -121.3 | -24.2 | 0 | 0 | 0 | 113.2 | E281 | E281-D283 PolarHBondContact O-N 2.99Š|
| 284 | K | 47.4 | Very low | 40.5 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | -96.5 | 102.4 | -173.7 | -63.3 | 172.4 | -173.7 | 167.9 | 0 | 110.5 | | |
| 285 | I | 41.6 | Very low | 40.8 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -106.2 | 80.9 | 161.8 | -54.7 | -176.7 | 0 | 0 | 0 | 108.7 | | |
| 286 | G | 40.6 | Very low | 40.6 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -84.3 | 116.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 287 | M | 34.9 | Very low | 40.9 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -110.6 | 84.2 | 169.3 | -173.1 | 153.2 | 63.7 | 0 | 0 | 109.5 | V289 | M287-V289 HydrophobicContact CG-CG2 4.34Å; M287-V289 PolarHBondContact O-N 2.97Å |
| 288 | E | 36.3 | Very low | 41.2 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -69 | 93.5 | 170.8 | -73.4 | -167.7 | 158.7 | 0 | 0 | 110.3 | K290 | E288-K290 PolarHBondContact O-N 2.6Š|
| 289 | V | 39.7 | Very low | 41.1 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | -73.4 | 95.3 | 162.8 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | M287 V291 | M287-V289 HydrophobicContact CG-CG2 4.34Å; M287-V289 PolarHBondContact O-N 2.97Å; V289-V291 HydrophobicContact CG1-CG2 4.17Å; V289-V291 PolarHBondContact O-N 3.13Å |
| 290 | K | 45.4 | Very low | 40.9 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | -67.5 | 117.2 | 173.7 | -66.9 | -176.4 | 178.6 | -178.1 | 0 | 110 | E288 | E288-K290 PolarHBondContact O-N 2.6Š|
| 291 | V | 37.9 | Very low | 40.4 | Very low | 110 Ų | 110 | 149 Ų | 149 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | | | trans | -126.1 | 92 | 165.3 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | V289 S293 | V289-V291 HydrophobicContact CG1-CG2 4.17Å; V289-V291 PolarHBondContact O-N 3.13Å; V291-S293 PolarHBondContact O-N 3.08Å |
| 292 | D | 42 | Very low | 40.4 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -71 | 111.5 | 165.7 | -65.5 | -61 | 0 | 0 | 0 | 108.2 | | |
| 293 | S | 42 | Very low | 39.8 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | trans | -154.2 | 84.9 | 176.1 | -75.5 | 0 | 0 | 0 | 0 | 110.2 | V291 A295 | V291-S293 PolarHBondContact O-N 3.08Å; S293-A295 PolarHBondContact O-N 3.23Å |
| 294 | D | 45.2 | Very low | 39.3 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | | | trans | -69 | 106.7 | 172 | -175.3 | 11.5 | 0 | 0 | 0 | 110.1 | | |
| 295 | A | 42 | Very low | 38.5 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -143.1 | 82.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | S293 | S293-A295 PolarHBondContact O-N 3.23Š|
| 296 | G | 35.8 | Very low | 38 | Very low | 64 Ų | 64 | 146.3 Ų | 146.3 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | | | trans | -55.6 | 139.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P298 | G296-P298 VanDerWaalsContact O-CD 3.26Å; G296-P298 WeakPolarHBondContact O-CD 3.4Å; G296-P298 VanDerWaalsContact O-N 3.17Å |
| 297 | I | 45.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | -57.2 | 113.5 | -174.3 | -57.6 | 166.4 | 0 | 0 | 0 | 111.4 | K299 | I297-K299 PolarHBondContact O-N 3.15Š|
| 298 | P | 41.1 | Very low | 37.6 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -73.4 | 113.5 | 174 | 29.3 | -32.2 | 0 | 0 | 0 | 109.7 | G296 R300 | G296-P298 VanDerWaalsContact O-CD 3.26Å; G296-P298 WeakPolarHBondContact O-CD 3.4Å; G296-P298 VanDerWaalsContact O-N 3.17Å; P298-R300 PolarHBondContact O-N 3.32Å |
| 299 | K | 39.2 | Very low | 37.2 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 132.2 | 171.5 | -69.6 | 176.7 | 178.7 | 174.3 | 0 | 109.5 | I297 Q301 | I297-K299 PolarHBondContact O-N 3.15Å; K299-Q301 PolarHBondContact O-N 3.49Å; K299-Q301 VanDerWaalsContact O-N 3.08Å |
| 300 | R | 35.1 | Very low | 36.7 | Very low | 251 Ų | 251 | 148.9 Ų | 148.9 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 116.6 | 165.4 | -83.6 | -177.3 | 169.8 | 172.1 | -3.3 | 109 | P298 | P298-R300 PolarHBondContact O-N 3.32Š|
| 301 | Q | 34.9 | Very low | 36 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 134.8 | 161.4 | -71.7 | -173.4 | -10 | 0 | 0 | 108.7 | K299 T303 | K299-Q301 PolarHBondContact O-N 3.49Å; K299-Q301 VanDerWaalsContact O-N 3.08Å; Q301-T303 PolarHBondContact O-N 3.33Å |
| 302 | E | 35 | Very low | 35.6 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -95.1 | 88.1 | 179.8 | -170.6 | 167.8 | -129.5 | 0 | 0 | 108.9 | Q304 | E302-Q304 PolarHBondContact O-N 3.43Š|
| 303 | T | 33.1 | Very low | 34.9 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -68.5 | 103.5 | -174.7 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | Q301 L305 | Q301-T303 PolarHBondContact O-N 3.33Å; T303-L305 PolarHBondContact O-N 3.3Å; T303-L305 VanDerWaalsContact O-N 3.08Å |
| 304 | Q | 30.5 | Very low | 34.1 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -68.4 | 106.4 | 176.6 | -68.3 | -167.5 | 25.7 | 0 | 0 | 111.3 | E302 K306 | E302-Q304 PolarHBondContact O-N 3.43Å; Q304-K306 PolarHBondContact O-N 3.01Å |
| 305 | L | 30.8 | Very low | 33.1 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | -84.7 | 96.7 | 179.1 | -150.6 | 171.3 | 0 | 0 | 0 | 109.4 | T303 I307 | T303-L305 PolarHBondContact O-N 3.3Å; T303-L305 VanDerWaalsContact O-N 3.08Å; L305-I307 HydrophobicContact CD2-CG1 4.41Å; L305-I307 PolarHBondContact O-N 3.06Å |
| 306 | K | 31.9 | Very low | 32.3 | Very low | 185 Ų | 185 | 154.8 Ų | 154.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -73.5 | 117.6 | 174.3 | -72.1 | 178 | 177.2 | 176.1 | 0 | 110.1 | Q304 | Q304-K306 PolarHBondContact O-N 3.01Š|
| 307 | I | 31.2 | Very low | 32 | Very low | 139 Ų | 139 | 157.3 Ų | 157.3 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | | | trans | -89.8 | 126.9 | 164.1 | -58.1 | 175.2 | 0 | 0 | 0 | 107 | L305 | L305-I307 HydrophobicContact CD2-CG1 4.41Å; L305-I307 PolarHBondContact O-N 3.06Å |
| 308 | S | 35 | Very low | 31.8 | Very low | 106 Ų | 106 | 154.9 Ų | 154.9 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -119.4 | 97.6 | 176.8 | 55 | 0 | 0 | 0 | 0 | 109.7 | E310 | S308-E310 PolarHBondContact O-N 3.31Å; S308-E310 VanDerWaalsContact O-N 3.12Å |
| 309 | D | 27.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 156.3 Ų | 156.3 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | -79.1 | 87.1 | 177 | -66.4 | -45.1 | 0 | 0 | 0 | 110.6 | Y311 | D309-Y311 PolarHBondContact O-N 3.5Š|
| 310 | E | 30.6 | Very low | 30.7 | Very low | 187 Ų | 187 | 156.8 Ų | 156.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -88.9 | 103.4 | 171.8 | -170.6 | 170.1 | 176.8 | 0 | 0 | 111.1 | S308 | S308-E310 PolarHBondContact O-N 3.31Å; S308-E310 VanDerWaalsContact O-N 3.12Å |
| 311 | Y | 29.7 | Very low | 30.4 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -88.6 | 111.3 | 169.7 | 53.8 | -83.3 | 0 | 0 | 0 | 109.8 | D309 | D309-Y311 PolarHBondContact O-N 3.5Š|
| 312 | T | 29.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | trans | -178.1 | 117.6 | 144.2 | -79.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 313 | T | 27.8 | Very low | 29.4 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | | | trans | -136.7 | 129.9 | 146.3 | 43.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 314 | R | 24.9 | Very low | 29.1 | Very low | 219 Ų | 219 | 148.1 Ų | 148.1 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -130.5 | 109.9 | -176.1 | -171.8 | -165 | 175.5 | -153.2 | -1.1 | 109.8 | | |
| 315 | T | 24.5 | Very low | 28.9 | Very low | 132 Ų | 132 | 151 Ų | 151 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | 45.4 | 114.2 | 159.5 | 58.7 | 0 | 0 | 0 | 0 | 119 | | |
| 316 | G | 24.4 | Very low | 28.5 | Very low | 79 Ų | 79 | 149.4 Ų | 149.4 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -166.7 | 87.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 317 | S | 29 | Very low | 28.3 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -81.7 | 160.1 | 171.7 | -40.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 318 | P | 41.6 | Very low | 28.1 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | | -154.9 | 161.7 | 80.3 | 40.1 | -20.6 | 0 | 0 | 0 | 119.1 | | |
| 319 | N | 27.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | | | trans | 56.5 | 116.4 | 145.3 | -70.3 | -19.9 | 0 | 0 | 0 | 123.5 | | |
| 320 | K | 30.1 | Very low | 27.4 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | | | | 167.1 | 153.1 | 119.4 | -89.9 | 163.1 | -177.6 | -179.5 | 0 | 109.7 | | |
| 321 | E | 28.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | cis | -162.6 | 143.3 | -35.4 | -166.1 | -170 | 136.9 | 0 | 0 | 107.7 | | |
| 322 | K | 24.8 | Very low | 27.2 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | | | trans | 54.4 | 116.5 | 173.8 | -72.8 | 154.2 | -179.3 | 149 | 0 | 117.2 | | |
| 323 | C | 25 | Very low | 27.1 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | | 76 | 124.3 | 52.9 | -172.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 324 | V | 26.9 | Very low | 27.2 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | -160.3 | 135 | 133.4 | 135.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 325 | R | 25.1 | Very low | 27.3 | Very low | 227 Ų | 227 | 148.9 Ų | 148.9 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | 80.2 | 133 | 163.6 | -139.4 | 164 | -64.9 | -169.3 | 2 | 120.4 | | |
| 326 | C | 23.5 | Very low | 27.6 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | trans | -91.9 | 179.3 | -180 | -44 | 0 | 0 | 0 | 0 | 111 | | |
| 327 | T | 26.9 | Very low | 27.6 | Very low | 139 Ų | 139 | 152 Ų | 152 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | | -157 | 176.7 | 56.4 | 47.6 | 0 | 0 | 0 | 0 | 115 | | |
| 328 | K | 26.8 | Very low | 27.4 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -86.8 | 158.4 | -167.6 | -52.4 | 169.5 | 179.8 | 175.2 | 0 | 114.8 | | |
| 329 | R | 25.5 | Very low | 26.6 | Very low | 233 Ų | 233 | 150.4 Ų | 150.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | | -175.7 | 110.4 | 124.3 | -97.4 | 164.5 | -176.9 | 118.5 | -4.4 | 109.5 | | |
| 330 | T | 23.8 | Very low | 26.8 | Very low | 129 Ų | 129 | 150 Ų | 150 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | | 59.4 | 126.1 | 92.9 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 331 | G | 27.4 | Very low | 27.1 | Very low | 68 Ų | 68 | 145.7 Ų | 145.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | cis | 164.8 | -176.4 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 332 | Q | 27.7 | Very low | 27 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | 69.7 | 134.8 | 178.9 | -51 | -174.3 | 72.2 | 0 | 0 | 115.3 | | |
| 333 | V | 26.6 | Very low | 26.9 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | cis | 89.3 | 101 | 15.7 | -171.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 334 | K | 30.8 | Very low | 26.9 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | trans | -176.5 | 122.2 | 142 | -96.5 | 153.5 | -178.9 | 177.9 | 0 | 106.5 | | |
| 335 | K | 27.5 | Very low | 26.9 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | | | cis | 81.7 | 89.3 | 39.2 | -86.5 | -140.4 | 170.9 | -153.7 | 0 | 116.7 | | |
| 336 | S | 29.6 | Very low | 27.2 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | 179.4 | 130.7 | 140.6 | 43.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 337 | E | 24.3 | Very low | 27.5 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | cis | 90.1 | 120.6 | 11.1 | -159.2 | 167.7 | -167.6 | 0 | 0 | 116.8 | | |
| 338 | S | 25.1 | Very low | 27.5 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | 65.1 | 147.7 | 178.8 | 73.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 339 | G | 24.8 | Very low | 27.5 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | cis | -168.3 | 167.7 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 340 | V | 31.9 | Very low | 27.9 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -111.3 | 142.2 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 341 | P | 37.6 | Very low | 28.1 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | -149.8 | 128.9 | 134.4 | 33.5 | -15.1 | 0 | 0 | 0 | 116.5 | | |
| 342 | K | 25.1 | Very low | 27.9 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | 64.4 | 155 | 150 | -56 | 171.8 | -177.6 | 178 | 0 | 117.5 | | |
| 343 | G | 24.2 | Very low | 27.6 | Very low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | | | cis | 162.1 | 162.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 344 | Q | 24.7 | Very low | 27.5 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | 62.9 | 169.6 | 176.2 | -64.3 | 177.6 | -53.1 | 0 | 0 | 116.7 | | |
| 345 | E | 25.3 | Very low | 27.2 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | | -158.6 | 165 | -51 | -169.3 | 155.4 | -166.4 | 0 | 0 | 107.5 | | |
| 346 | A | 32.9 | Very low | 27.1 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -72.5 | 142.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 347 | Q | 28.7 | Very low | 26.8 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -133.5 | 145.1 | 159.7 | -69.6 | -161.4 | 31.8 | 0 | 0 | 111.3 | | |
| 348 | V | 27 | Very low | 26.8 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | | | trans | -119.1 | 128.7 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 349 | T | 26.3 | Very low | 26.7 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -127.9 | 138.8 | 168.5 | 40.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 350 | K | 34.8 | Very low | 26.6 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | | | trans | -113 | 135.6 | 171.5 | -67.4 | 178.8 | -179.3 | 176.1 | 0 | 108.9 | | |
| 351 | S | 28.4 | Very low | 26.2 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | -156.6 | 159.8 | 160.7 | 52.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 352 | G | 22.5 | Very low | 25.7 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | cis | 164.4 | 127.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 353 | L | 22.7 | Very low | 25.8 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -91.3 | 160.2 | -168.2 | -163.3 | 71.3 | 0 | 0 | 0 | 112.5 | | |
| 354 | V | 23.6 | Very low | 25.9 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | 63.7 | 154.1 | 171.7 | -100.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 355 | V | 23.7 | Very low | 26 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | cis | -142.5 | -173.5 | 15.9 | -123.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 356 | L | 26.2 | Very low | 26.3 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | cis | -160.4 | 154.4 | 8.6 | -131.3 | -156.9 | 0 | 0 | 0 | 110.2 | | |
| 357 | K | 23.8 | Very low | 26.3 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | 59.6 | 145.3 | 162.7 | -80.4 | 176 | 177.4 | -177.6 | 0 | 118.9 | | |
| 358 | G | 23.2 | Very low | 26.1 | Very low | 57 Ų | 57 | 145.4 Ų | 145.4 | 59% | 0.588 | 80% | 0.802 | S | S | * | * | | | cis | 162.2 | 158.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 359 | Q | 22.7 | Very low | 26 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | 67.3 | 100.3 | -174.8 | -72.8 | 170.5 | -24.2 | 0 | 0 | 113 | | |
| 360 | E | 23 | Very low | 26.3 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | | | | 58.2 | 130.2 | 53.9 | -50.4 | 100.3 | 55.9 | 0 | 0 | 111.9 | | |
| 361 | A | 24.8 | Very low | 26.1 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | cis | -131.2 | -166.9 | 12.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 362 | Q | 26.5 | Very low | 26 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | cis | -145.7 | -171.9 | 20.9 | -61.2 | -177.2 | 100.3 | 0 | 0 | 111.6 | | |
| 363 | V | 26.8 | Very low | 26.3 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | | | trans | -126.5 | 129.7 | 169.1 | 169.8 | 0 | 0 | 0 | 0 | 109 | K365 | V363-K365 HydrophobicContact CG1-CG 4.37Š|
| 364 | E | 26.6 | Very low | 26.3 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -117.7 | 118 | 165.8 | -171.8 | 168.8 | -153.3 | 0 | 0 | 110.1 | | |
| 365 | K | 27.5 | Very low | 26.5 | Very low | 179 Ų | 179 | 152 Ų | 152 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | | | trans | -97 | 104 | 170.4 | -73.3 | -175.5 | 176.9 | -175 | 0 | 109.1 | V363 E367 | V363-K365 HydrophobicContact CG1-CG 4.37Å; K365-E367 VanDerWaalsContact C-N 3.27Å; K365-E367 PolarHBondContact O-N 3.44Å; K365-E367 VanDerWaalsContact O-N 3.11Å |
| 366 | S | 30 | Very low | 26.6 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -85.1 | 63.7 | 172.3 | 42.8 | 0 | 0 | 0 | 0 | 112.1 | M368 | S366-M368 PolarHBondContact O-N 3.3Š|
| 367 | E | 32.7 | Very low | 26.6 | Very low | 170 Ų | 170 | 154 Ų | 154 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -82.6 | 84.4 | 168.6 | -172.9 | 172.6 | -169.7 | 0 | 0 | 109.7 | K365 | K365-E367 VanDerWaalsContact C-N 3.27Å; K365-E367 PolarHBondContact O-N 3.44Å; K365-E367 VanDerWaalsContact O-N 3.11Å |
| 368 | M | 24.5 | Very low | 26.7 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -158.4 | 133 | -178.9 | -142.4 | 74.1 | 62.3 | 0 | 0 | 109.7 | S366 | S366-M368 PolarHBondContact O-N 3.3Š|
| 369 | G | 25.8 | Very low | 26.9 | Very low | 62 Ų | 62 | 158 Ų | 158 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | | | cis | -174.4 | 157.1 | -8.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P371 | G369-P371 WeakPolarHBondContact O-CD 3.44Š|
| 370 | V | 32 | Very low | 27.2 | Very low | 137 Ų | 137 | 158.8 Ų | 158.8 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | | | trans | -75.8 | 127.4 | 179.3 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | R372 | V370-R372 PolarHBondContact O-N 3.39Š|
| 371 | P | 31.5 | Very low | 27.5 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -65.7 | 101.6 | 171.2 | -20.4 | 33.6 | 0 | 0 | 0 | 111 | G369 | G369-P371 WeakPolarHBondContact O-CD 3.44Š|
| 372 | R | 26.6 | Very low | 27.5 | Very low | 233 Ų | 233 | 160.7 Ų | 160.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | -81.8 | 129.1 | 179.9 | -176.7 | 173.1 | 175.7 | 160.6 | -2.2 | 110.9 | V370 | V370-R372 PolarHBondContact O-N 3.39Š|
| 373 | R | 27.2 | Very low | 27.6 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | | | trans | -3.2 | 134.4 | 168.4 | -58 | -175 | -175.5 | 167.3 | 1.3 | 117.7 | E375 | R373-E375 WeakPolarHBondContact CD-OE1 3.48Å; R373-E375 IonicContact CZ-OE1 3.66Å; R373-E375 IonicContact NE-OE1 3.71Å; R373-E375 IonicContact NH1-OE1 3.51Å; R373-E375 PolarHBondContact NH1-OE1 3.28Å |
| 374 | Q | 22.9 | Very low | 27.5 | Very low | 203 Ų | 203 | 154.6 Ų | 154.6 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | | | trans | -96.9 | 137.8 | 136.5 | -165.3 | 165.8 | 9.7 | 0 | 0 | 108.5 | | |
| 375 | E | 27.8 | Very low | 27.6 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 65% | 0.654 | 81% | 0.814 | S | S | * | * | | | trans | -132.5 | 121.7 | -163.5 | -169.5 | 168.9 | -92.9 | 0 | 0 | 110 | R373 | R373-E375 WeakPolarHBondContact CD-OE1 3.48Å; R373-E375 IonicContact CZ-OE1 3.66Å; R373-E375 IonicContact NE-OE1 3.71Å; R373-E375 IonicContact NH1-OE1 3.51Å; R373-E375 PolarHBondContact NH1-OE1 3.28Å |
| 376 | S | 27.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -143.7 | 90.2 | 179 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 377 | Q | 25.1 | Very low | 27.5 | Very low | 194 Ų | 194 | 154.2 Ų | 154.2 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | | | trans | 68.9 | 125.9 | 152.3 | -53.6 | -161 | 13.5 | 0 | 0 | 120.3 | | |
| 378 | V | 25.1 | Very low | 27.2 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | | | trans | -87 | 137.6 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 379 | K | 29.5 | Very low | 27.3 | Very low | 208 Ų | 208 | 150.9 Ų | 150.9 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | | | trans | -124.7 | 143.6 | 141.2 | -73 | -171 | 178.6 | 177.5 | 0 | 109.8 | | |
| 380 | K | 28.8 | Very low | 27.3 | Very low | 192 Ų | 192 | 157 Ų | 157 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | | | trans | -65.2 | 160.4 | -164.5 | -55 | 170.8 | -176.9 | 177.8 | 0 | 111.1 | | |
| 381 | S | 29 | Very low | 27.3 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | | | cis | -160.7 | 172.4 | 43.7 | -62.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 382 | Q | 24.8 | Very low | 27.1 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | | | trans | -50.1 | 162.3 | 159.2 | -76.4 | 158.4 | -76.8 | 0 | 0 | 113.4 | | |
| 383 | S | 27.1 | Very low | 27.1 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | cis | -166.9 | 157.1 | -1.5 | 40.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 384 | G | 25.5 | Very low | 27.2 | Very low | 76 Ų | 76 | 152.2 Ų | 152.2 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | | | trans | 170.8 | 129.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 385 | V | 28.7 | Very low | 27.4 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | | | trans | -129.1 | 116 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 386 | S | 26.8 | Very low | 27.6 | Very low | 107 Ų | 107 | 156.6 Ų | 156.6 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | | | trans | -175.2 | 120.4 | 141.6 | 55.6 | 0 | 0 | 0 | 0 | 114 | | |
| 387 | K | 27.8 | Very low | 27.5 | Very low | 212 Ų | 212 | 160.2 Ų | 160.2 | 92% | 0.922 | 84% | 0.844 | S | S | * | * | | | trans | 25.6 | 132.1 | 139.5 | -60.2 | 179.1 | 177.7 | 179.7 | 0 | 120.7 | | |
| 388 | G | 27.2 | Very low | 27.7 | Very low | 79 Ų | 79 | 156.7 Ų | 156.7 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | | | trans | 113.9 | 106.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 389 | Q | 26.1 | Very low | 27.7 | Very low | 203 Ų | 203 | 156.7 Ų | 156.7 | 95% | 0.949 | 84% | 0.841 | S | S | * | * | | | trans | -115.1 | 117.6 | 156.6 | -83.9 | -171.5 | -23.3 | 0 | 0 | 109.2 | | |
| 390 | E | 27.1 | Very low | 27.6 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | | | trans | -89.5 | 132 | 175.1 | -173 | 177.8 | 168.3 | 0 | 0 | 109.8 | Q392 | E390-Q392 PolarHBondContact O-N 3.16Š|
| 391 | A | 30.9 | Very low | 27.5 | Very low | 90 Ų | 90 | 151.7 Ų | 151.7 | 74% | 0.744 | 84% | 0.837 | S | S | * | * | | | trans | -83 | 112.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V393 | A391-V393 PolarHBondContact O-N 3.21Š|
| 392 | Q | 28.5 | Very low | 27.5 | Very low | 179 Ų | 179 | 156 Ų | 156 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | | | trans | -69.3 | 116 | 179.2 | -69.8 | -169.6 | 2.8 | 0 | 0 | 112.6 | E390 K394 | E390-Q392 PolarHBondContact O-N 3.16Å; Q392-K394 PolarHBondContact O-N 3.19Å |
| 393 | V | 26.4 | Very low | 27.5 | Very low | 133 Ų | 133 | 151 Ų | 151 | 81% | 0.806 | 84% | 0.839 | S | S | * | * | | | trans | -78.5 | 110.2 | 174.6 | 178 | 0 | 0 | 0 | 0 | 110.5 | A391 K395 | A391-V393 PolarHBondContact O-N 3.21Å; V393-K395 PolarHBondContact O-N 3.08Å |
| 394 | K | 29.9 | Very low | 27.5 | Very low | 188 Ų | 188 | 155 Ų | 155 | 82% | 0.817 | 85% | 0.845 | S | S | * | * | | | trans | -85.1 | 99.4 | 168.7 | -75.6 | -178 | 176.8 | 175.1 | 0 | 110.9 | Q392 | Q392-K394 PolarHBondContact O-N 3.19Š|
| 395 | K | 26.6 | Very low | 27.5 | Very low | 192 Ų | 192 | 160.4 Ų | 160.4 | 84% | 0.835 | 85% | 0.849 | S | S | * | * | | | trans | -63.1 | 145.2 | 157.1 | -71.8 | -176.2 | 178.4 | 179.9 | 0 | 109.3 | V393 | V393-K395 PolarHBondContact O-N 3.08Š|
| 396 | R | 31.3 | Very low | 27.5 | Very low | 243 Ų | 243 | 157.7 Ų | 157.7 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | | | trans | -131.3 | 123.5 | 159 | -81.3 | -174.8 | 166.8 | -179 | -5.1 | 107.8 | | |
| 397 | E | 24.9 | Very low | 27.5 | Very low | 188 Ų | 188 | 162 Ų | 162 | 88% | 0.879 | 85% | 0.85 | S | S | * | * | | | trans | -80.4 | 140.3 | 169.1 | -71.3 | 172 | 119.1 | 0 | 0 | 109.5 | V399 | E397-V399 PolarHBondContact O-N 3.43Š|
| 398 | S | 28.9 | Very low | 27.4 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | | | trans | -90.6 | 98.4 | 176.5 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 399 | V | 25.9 | Very low | 27.3 | Very low | 130 Ų | 130 | 162.7 Ų | 162.7 | 79% | 0.788 | 84% | 0.844 | S | S | * | * | | | trans | -67 | 139.3 | 169.4 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | E397 | E397-V399 PolarHBondContact O-N 3.43Š|
| 400 | V | 28.2 | Very low | 27.5 | Very low | 124 Ų | 124 | 162.4 Ų | 162.4 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | | | trans | -70.8 | 128.7 | 179 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 401 | L | 27 | Very low | 27.5 | Very low | 171 Ų | 171 | 158.5 Ų | 158.5 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | | | trans | -105.5 | 129.5 | 162.5 | -70 | 177.6 | 0 | 0 | 0 | 109.6 | | |
| 402 | K | 27.3 | Very low | 27.2 | Very low | 205 Ų | 205 | 162.9 Ų | 162.9 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | | | trans | -143.7 | 128 | 178.1 | -179.2 | -173.8 | 178.8 | -172.8 | 0 | 107 | | |
| 403 | G | 26.6 | Very low | 27.1 | Very low | 79 Ų | 79 | 162 Ų | 162 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | | | trans | 122.9 | 108.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 404 | Q | 25.5 | Very low | 27 | Very low | 202 Ų | 202 | 165.5 Ų | 165.5 | 94% | 0.944 | 84% | 0.843 | S | S | * | * | | | trans | -124.2 | 98.3 | 171.9 | -175.8 | 177 | 13.4 | 0 | 0 | 105.4 | | |
| 405 | E | 27.1 | Very low | 27 | Very low | 190 Ų | 190 | 162.9 Ų | 162.9 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | | | trans | -111.2 | 138.3 | -176.1 | -169.7 | 161.6 | -157.7 | 0 | 0 | 109.6 | | |
| 406 | A | 28.5 | Very low | 27.1 | Very low | 88 Ų | 88 | 159.6 Ų | 159.6 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | | | trans | -82 | 138.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V408 | A406-V408 PolarHBondContact O-N 3.04Š|
| 407 | Q | 24.9 | Very low | 26.8 | Very low | 198 Ų | 198 | 157.8 Ų | 157.8 | 93% | 0.925 | 84% | 0.839 | S | S | * | * | | | trans | -76.1 | 123.1 | 170.9 | -62.9 | -170.8 | 30.4 | 0 | 0 | 109.8 | | |
| 408 | V | 25.7 | Very low | 26.9 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | | | trans | -101.1 | 97.5 | 168.6 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | A406 K410 | A406-V408 PolarHBondContact O-N 3.04Å; V408-K410 HydrophobicContact CG1-CG 4.27Å |
| 409 | E | 27.1 | Very low | 26.5 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | | | trans | -84.5 | 110.8 | 166.9 | -171.1 | 171.9 | -150.7 | 0 | 0 | 108.9 | | |
| 410 | K | 28.9 | Very low | 26.5 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | | | trans | -122.9 | 104.7 | 165.1 | -83.9 | -163.9 | 172.5 | -169.6 | 0 | 109.3 | V408 | V408-K410 HydrophobicContact CG1-CG 4.27Š|
| 411 | S | 27.7 | Very low | 26.4 | Very low | 107 Ų | 107 | 156.6 Ų | 156.6 | 75% | 0.748 | 84% | 0.842 | S | S | * | * | | | trans | -89.8 | 131.5 | 174.4 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 412 | E | 25 | Very low | 26.2 | Very low | 183 Ų | 183 | 157.6 Ų | 157.6 | 86% | 0.855 | 84% | 0.842 | S | S | * | * | | | trans | -145.8 | 105.4 | 165.2 | -140.8 | 159 | -130 | 0 | 0 | 112 | | |
| 413 | L | 25.6 | Very low | 26.1 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | | | trans | 28.3 | 116.2 | 149.3 | -67.2 | 158.8 | 0 | 0 | 0 | 119.7 | | |
| 414 | K | 25.4 | Very low | 26.3 | Very low | 205 Ų | 205 | 157.6 Ų | 157.6 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | | | trans | -108.6 | 129.3 | 147.6 | -72.8 | -171.5 | 177.6 | -177.6 | 0 | 110 | | |
| 415 | V | 28.1 | Very low | 26.4 | Very low | 133 Ų | 133 | 157 Ų | 157 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | | | trans | -74 | 130.4 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 416 | P | 29.1 | Very low | 26.4 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | | | trans | -77.4 | 146.3 | 174.1 | 32.5 | -34.5 | 0 | 0 | 0 | 111 | | |
| 417 | K | 26.1 | Very low | 26.2 | Very low | 206 Ų | 206 | 158.8 Ų | 158.8 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | | | trans | -142.5 | 118.5 | 178.2 | -163.7 | 179.4 | -173.9 | -176.5 | 0 | 111.4 | | |
| 418 | G | 25.5 | Very low | 26.2 | Very low | 77 Ų | 77 | 153.3 Ų | 153.3 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | 64.6 | 116.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 419 | Q | 21.9 | Very low | 26.1 | Very low | 197 Ų | 197 | 154.6 Ų | 154.6 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -84 | 155.9 | 150.9 | -68.6 | 175.2 | -96.5 | 0 | 0 | 109.9 | | |
| 420 | E | 24.5 | Very low | 26.2 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | 135.5 | 143 | 130.1 | -163.8 | 152.8 | -116 | 0 | 0 | 115.1 | | |
| 421 | G | 26.9 | Very low | 26.7 | Very low | 66 Ų | 66 | 147.1 Ų | 147.1 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | trans | 68.2 | 102.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 422 | Q | 23.6 | Very low | 26.7 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | | 70.8 | 143.6 | 58.1 | -68.8 | -137.9 | 54.2 | 0 | 0 | 117.4 | | |
| 423 | V | 25.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | trans | 76 | 86.5 | 169.7 | -160.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 424 | E | 29.4 | Very low | 26.6 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | | 22.8 | 113.2 | 122.7 | -168.2 | -170.3 | -106 | 0 | 0 | 119.3 | | |
| 425 | K | 29.1 | Very low | 26.6 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | | -168.2 | 170.6 | 119.8 | -107.1 | 163.9 | -168 | 174.9 | 0 | 115.5 | | |
| 426 | T | 27.1 | Very low | 26.6 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | trans | -86.6 | 166 | -161.7 | 43.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 427 | E | 23 | Very low | 26.3 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | 92.9 | 168.1 | 146.7 | -145.8 | 148.4 | -149.7 | 0 | 0 | 119 | | |
| 428 | A | 24.5 | Very low | 26.3 | Very low | 83 Ų | 83 | 145.5 Ų | 145.5 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | | | trans | -90.2 | -176.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 429 | D | 23.5 | Very low | 26.4 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | cis | -158 | -179.1 | 20.1 | -144.6 | -32.6 | 0 | 0 | 0 | 113.5 | | |
| 430 | V | 31.1 | Very low | 26.7 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | | | trans | -69.6 | 148.4 | 177.3 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 431 | P | 38.4 | Very low | 26.8 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | | | | -163.2 | 162.5 | 68.5 | 45.2 | -22.7 | 0 | 0 | 0 | 122.7 | | |
| 432 | K | 26.9 | Very low | 26.7 | Very low | 166 Ų | 166 | 151 Ų | 151 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | 60.8 | 162 | 139.1 | -79.9 | -179.7 | 161 | -142.1 | 0 | 120 | | |
| 433 | E | 24 | Very low | 26.9 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -153 | -171.2 | -2.5 | -140.6 | 149.9 | -164.7 | 0 | 0 | 112.3 | | |
| 434 | Q | 24.2 | Very low | 27 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | 87.8 | 80.3 | 148.6 | -157.2 | 166.5 | 3 | 0 | 0 | 122.2 | | |
| 435 | E | 25.5 | Very low | 26.9 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | | 29.6 | 150.1 | 114.3 | -148.4 | -170.5 | 170.8 | 0 | 0 | 124.1 | | |
| 436 | V | 28.2 | Very low | 27 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | trans | 118.6 | 109.1 | 145.4 | 178.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 437 | Q | 23 | Very low | 27.3 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 52.8 | 166.1 | 144.2 | -70.5 | -175.4 | 1.2 | 0 | 0 | 122.3 | | |
| 438 | E | 27.3 | Very low | 27.6 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | | | cis | -172.1 | 178.8 | -35.5 | -157.1 | -155.2 | -170.6 | 0 | 0 | 108.1 | | |
| 439 | K | 27.8 | Very low | 28 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | 80.2 | 131.7 | 174.1 | -53.1 | 160.5 | -171.3 | 169.9 | 0 | 114.4 | | |
| 440 | K | 27.6 | Very low | 28.3 | Very low | 186 Ų | 186 | 145 Ų | 145 | 81% | 0.809 | 79% | 0.785 | S | S | * | * | | | cis | 91.9 | 144.1 | 30.5 | -73.5 | -167.5 | 173.6 | 179.5 | 0 | 115.2 | | |
| 441 | S | 26.3 | Very low | 28.3 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | 71.6 | 137.3 | 179.5 | -60.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 442 | E | 26 | Very low | 27.8 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | cis | 114.9 | 135.1 | 9.6 | -177.7 | 177.7 | -172.9 | 0 | 0 | 113.2 | | |
| 443 | A | 26.7 | Very low | 27.9 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | 63.9 | 140.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 444 | G | 26.3 | Very low | 28.1 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | 167.9 | 60.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 445 | V | 28.7 | Very low | 28.3 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | -89.6 | 131.8 | 178.2 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 446 | L | 30.5 | Very low | 28.5 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -135.9 | 135.6 | 161.1 | -73.5 | 177.3 | 0 | 0 | 0 | 111.5 | | |
| 447 | K | 32.8 | Very low | 28.3 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | | | trans | -91.1 | 160.5 | 165.1 | -59.3 | 176 | 179.5 | 179.9 | 0 | 108.1 | | |
| 448 | G | 29.6 | Very low | 28.5 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | cis | -158.9 | -139.2 | 0.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 449 | P | 34 | Very low | 28.4 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | | | cis | -117.1 | -172.3 | 6.9 | 42.4 | -30.6 | 0 | 0 | 0 | 113.8 | | |
| 450 | E | 28.5 | Very low | 28.7 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -77.6 | 156.2 | -179.6 | -58.7 | 167.4 | 91 | 0 | 0 | 114.2 | | |
| 451 | S | 31.1 | Very low | 29.8 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | | -169.8 | 159 | 113.3 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 452 | Q | 28.8 | Very low | 29.8 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | 65.1 | 105.7 | 167.5 | -53.8 | -64.6 | -13.6 | 0 | 0 | 117.4 | | |
| 453 | V | 28 | Very low | 29.9 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 67% | 0.673 | 81% | 0.807 | S | S | * | * | | | trans | -113.5 | 142.4 | -179.8 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 454 | K | 28.8 | Very low | 29.8 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | | | trans | -157.7 | 98.4 | 142 | -110.2 | 155.7 | -170.1 | 174 | 0 | 111.6 | | |
| 455 | N | 29.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | | | trans | -78.2 | 177.4 | 175.4 | -57.3 | -16.1 | 0 | 0 | 0 | 109.3 | | |
| 456 | T | 27.8 | Very low | 30.1 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | cis | -157 | 144.2 | 24.6 | -40.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 457 | E | 24.2 | Very low | 30.1 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -105.4 | 162.9 | 165.2 | -176.9 | 167.5 | -174.1 | 0 | 0 | 111.1 | | |
| 458 | V | 28.9 | Very low | 29.8 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | trans | -43.1 | 144.2 | 177.7 | 179.1 | 0 | 0 | 0 | 0 | 114.5 | V460 | V458-V460 HydrophobicContact CG1-CG2 3.77Š|
| 459 | S | 25.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -146.5 | 153.9 | 149.9 | -77.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 460 | V | 33.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -124.8 | -169.4 | -166.5 | -150.1 | 0 | 0 | 0 | 0 | 109.9 | V458 | V458-V460 HydrophobicContact CG1-CG2 3.77Š|
| 461 | P | 51.5 | Low | 29.8 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | | | | -95.3 | 168.9 | -112 | 40 | -28.2 | 0 | 0 | 0 | 114.8 | | |
| 462 | E | 26.3 | Very low | 29.6 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -152.2 | 173.7 | 141.8 | -131 | 169 | -165.5 | 0 | 0 | 113.8 | | |
| 463 | T | 26.1 | Very low | 29.6 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -76.7 | 153.3 | -167.9 | 48.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 464 | L | 26.3 | Very low | 29.6 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | trans | -167 | 121 | 141.9 | -92.2 | 150.5 | 0 | 0 | 0 | 105.1 | | |
| 465 | E | 27 | Very low | 29.7 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | | 59 | 136.6 | 77.4 | -64.8 | -155.5 | 130 | 0 | 0 | 115.4 | | |
| 466 | S | 34.5 | Very low | 29.9 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -85.4 | 150.8 | 177 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 467 | Q | 28.7 | Very low | 30.1 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -153 | 159.4 | 138.3 | -81.7 | -139 | 38.3 | 0 | 0 | 111.1 | | |
| 468 | V | 27.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | | | trans | -117 | 134.5 | -175.7 | 172.2 | 0 | 0 | 0 | 0 | 110 | | |
| 469 | K | 30.2 | Very low | 30.3 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | 178.4 | 128.1 | 139.8 | -95.9 | 143.5 | -164.7 | 168 | 0 | 112.3 | | |
| 470 | K | 32.8 | Very low | 30.4 | Very low | 162 Ų | 162 | 143 Ų | 143 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | | | trans | 50.8 | 151.3 | 132.1 | -62.7 | -170.3 | 169.7 | -123.1 | 0 | 119.5 | E472 | K470-E472 WeakPolarHBondContact CB-OE2 3.33Å; K470-E472 WeakPolarHBondContact CD-OE2 3.19Å; K470-E472 VanDerWaalsContact CG-OE2 3.31Å; K470-E472 WeakPolarHBondContact CG-OE2 3.39Å; K470-E472 IonicContact NZ-OE1 3.3Å; K470-E472 PolarHBondContact NZ-OE1 3.08Å; K470-E472 IonicContact NZ-OE2 2.89Å |
| 471 | S | 28.9 | Very low | 30.4 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | cis | -151.8 | 167.1 | 20.9 | -95.5 | 0 | 0 | 0 | 0 | 110 | | |
| 472 | E | 26.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 59% | 0.589 | 80% | 0.798 | S | S | * | * | | | cis | -169.6 | -166.8 | -30.4 | -136.3 | 116.3 | 152.6 | 0 | 0 | 105.1 | K470 | K470-E472 WeakPolarHBondContact CB-OE2 3.33Å; K470-E472 WeakPolarHBondContact CD-OE2 3.19Å; K470-E472 VanDerWaalsContact CG-OE2 3.31Å; K470-E472 WeakPolarHBondContact CG-OE2 3.39Å; K470-E472 IonicContact NZ-OE1 3.3Å; K470-E472 PolarHBondContact NZ-OE1 3.08Å; K470-E472 IonicContact NZ-OE2 2.89Å |
| 473 | S | 28.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 144 Ų | 144 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | 75.5 | 123.3 | 174.1 | -162 | 0 | 0 | 0 | 0 | 118.4 | | |
| 474 | G | 27.8 | Very low | 29.8 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 170 | 62.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 475 | V | 32.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | -81.2 | 119.5 | -173.2 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 476 | L | 33.5 | Very low | 30.3 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | | | trans | -141 | 167.6 | 150.2 | -82.1 | -173.1 | 0 | 0 | 0 | 110.7 | | |
| 477 | K | 31.8 | Very low | 30.2 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -146.1 | 137.5 | -151 | -176 | -174.7 | -179.2 | -173.7 | 0 | 112.3 | | |
| 478 | G | 28.1 | Very low | 30.4 | Very low | 60 Ų | 60 | 147.9 Ų | 147.9 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | | | trans | 148.4 | 124.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 479 | Q | 30 | Very low | 31 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | | 63.5 | 130.1 | 71.6 | -79.4 | -174.8 | -87.2 | 0 | 0 | 112.9 | | |
| 480 | E | 27.1 | Very low | 31.3 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | cis | -165.6 | 135.7 | 0.1 | 180 | 171.5 | 136.8 | 0 | 0 | 110.7 | | |
| 481 | A | 32.8 | Very low | 32 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -171.1 | 110.5 | 160 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 482 | Q | 31 | Very low | 32.1 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -124.8 | 133.1 | 155.8 | -78 | -171.3 | -49.3 | 0 | 0 | 108.1 | | |
| 483 | E | 28.8 | Very low | 32.5 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | | -156.8 | 123.5 | 122.8 | -112.5 | -161.7 | 141.5 | 0 | 0 | 113.2 | | |
| 484 | K | 32.5 | Very low | 33.1 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | 30.7 | 118.3 | 142.2 | -58.3 | 165.4 | -167 | 157.3 | 0 | 118.5 | | |
| 485 | K | 32.5 | Very low | 33.8 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | | | | -150.8 | 122.7 | 98.3 | -112.8 | 179.1 | -176.4 | -177.2 | 0 | 113.9 | | |
| 486 | E | 30.7 | Very low | 34.2 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 167.5 | 155.1 | -66 | 165.6 | 124.7 | 0 | 0 | 110.1 | | |
| 487 | S | 32.8 | Very low | 34.3 | Very low | 100 Ų | 100 | 150.9 Ų | 150.9 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | -172.6 | 159.3 | -27.1 | 58.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 488 | F | 33.2 | Very low | 34.8 | Very low | 197 Ų | 197 | 148.5 Ų | 148.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -169.1 | 121.3 | 149 | -126 | -87.1 | 0 | 0 | 0 | 109.4 | | |
| 489 | E | 39.5 | Very low | 35.1 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | trans | -100.5 | 139.9 | 152.8 | -75 | -170 | 134.5 | 0 | 0 | 107 | K491 | E489-K491 WeakPolarHBondContact OE1-CE 3.26Å; E489-K491 IonicContact OE1-NZ 2.73Å; E489-K491 PolarHBondContact OE1-NZ 3.26Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 2.62Å; E489-K491 PolarHBondContact OE2-NZ 3.41Å |
| 490 | D | 35.4 | Very low | 35.6 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -127.2 | 147.2 | 158.2 | -169 | 12.4 | 0 | 0 | 0 | 108.4 | | |
| 491 | K | 47.8 | Very low | 36.1 | Very low | 148 Ų | 148 | 151 Ų | 151 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | | | trans | -142.9 | 120.6 | -164.8 | -78.7 | 175.8 | 173.8 | 154 | 0 | 112.3 | E489 | E489-K491 WeakPolarHBondContact OE1-CE 3.26Å; E489-K491 IonicContact OE1-NZ 2.73Å; E489-K491 PolarHBondContact OE1-NZ 3.26Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 2.62Å; E489-K491 PolarHBondContact OE2-NZ 3.41Å |
| 492 | G | 30.9 | Very low | 36.3 | Very low | 65 Ų | 65 | 150.2 Ų | 150.2 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | | | trans | 146.2 | 151.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 493 | N | 36 | Very low | 36.4 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | | | cis | -147.5 | 167.5 | -7.8 | -87.5 | -44.5 | 0 | 0 | 0 | 109.8 | | |
| 494 | N | 40.7 | Very low | 36.7 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | | | trans | -86.3 | 144.3 | 172.3 | -58.8 | -77.7 | 0 | 0 | 0 | 111.1 | | |
| 495 | D | 41.8 | Very low | 37.3 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | -159.1 | 134.3 | 140.1 | -94.1 | -39.5 | 0 | 0 | 0 | 106.4 | | |
| 496 | K | 41.1 | Very low | 38.2 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 70% | 0.7 | 73% | 0.734 | S | S | * | * | | | | 58.2 | 130.6 | 77.2 | -78.8 | 162.8 | 152.2 | -82.7 | 0 | 111.9 | | |
| 497 | E | 36.5 | Very low | 38.7 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | | | cis | -163.6 | 160.9 | 9.3 | -140.9 | 169.4 | -116.1 | 0 | 0 | 110.9 | | |
| 498 | K | 40.9 | Very low | 38.9 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | | | trans | 50.1 | 152.1 | 141 | -91.8 | -179.6 | -179.4 | -130.5 | 0 | 121.6 | | |
| 499 | E | 34.7 | Very low | 39 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 47% | 0.472 | 74% | 0.74 | S | S | . | * | | | cis | -169.6 | 170.8 | -1 | -154.3 | 172.8 | -119.8 | 0 | 0 | 108.5 | | |
| 500 | R | 40.1 | Very low | 38.8 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | 74.9 | 157.3 | 159.2 | -60.7 | 170.8 | -152.3 | -171.2 | 5.5 | 120.3 | | |
| 501 | D | 37.8 | Very low | 39 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | cis | -171.9 | 169.8 | -47.1 | -114.6 | -52.1 | 0 | 0 | 0 | 111.8 | | |
| 502 | A | 37.2 | Very low | 38.2 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | trans | 62.7 | 91.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 503 | E | 34.5 | Very low | 38.8 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | | 41.5 | 113.6 | 110.2 | -145.1 | -150.9 | 160.7 | 0 | 0 | 120.8 | | |
| 504 | K | 34.8 | Very low | 39.2 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | | 162.4 | 133.4 | 111.4 | -87.2 | 179.9 | -172.9 | 173.3 | 0 | 115.7 | | |
| 505 | D | 44 | Very low | 39.3 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | -84 | 153.9 | 157.7 | -137.5 | -49.7 | 0 | 0 | 0 | 108.8 | N507 | D505-N507 PolarHBondContact OD1-N 2.6Å; D505-N507 VanDerWaalsContact OD1-N 3.07Å |
| 506 | P | 51.4 | Low | 39.4 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | | -155.4 | 127.8 | 84.8 | 36.8 | -15.2 | 0 | 0 | 0 | 118 | | |
| 507 | N | 42.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 155 Ų | 155 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | 20.9 | 117.5 | 130.3 | -178.9 | 6.3 | 0 | 0 | 0 | 120.4 | D505 | D505-N507 PolarHBondContact OD1-N 2.6Å; D505-N507 VanDerWaalsContact OD1-N 3.07Å |
| 508 | K | 36.2 | Very low | 39.4 | Very low | 210 Ų | 210 | 152.2 Ų | 152.2 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | | | trans | -156.7 | 117.3 | 145.6 | -124.3 | 173.6 | -173.1 | 177.3 | 0 | 118.1 | | |
| 509 | K | 36.2 | Very low | 39.3 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -32.3 | 140.9 | 154.7 | -177.6 | -167.3 | -164.1 | -179.5 | 0 | 118.8 | | |
| 510 | E | 35.3 | Very low | 39.6 | Very low | 192 Ų | 192 | 156.6 Ų | 156.6 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -159.7 | 174.8 | 133.2 | -163.4 | 128 | -140.5 | 0 | 0 | 112.2 | | |
| 511 | K | 38.3 | Very low | 39.2 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | -110.5 | 168.7 | -174.3 | -77.8 | -176 | 155.3 | -148.1 | 0 | 112.7 | D513 | K511-D513 IonicContact NZ-OD2 3.56Å; K511-D513 PolarHBondContact NZ-OD2 3.12Å |
| 512 | G | 32.1 | Very low | 39.2 | Very low | 80 Ų | 80 | 152.7 Ų | 152.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -156.8 | 88 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 513 | D | 42.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 65% | 0.647 | 82% | 0.818 | S | S | * | * | | | trans | -79.6 | 126.8 | 174.4 | -63.1 | -65.7 | 0 | 0 | 0 | 111.1 | K511 | K511-D513 IonicContact NZ-OD2 3.56Å; K511-D513 PolarHBondContact NZ-OD2 3.12Å |
| 514 | K | 43.4 | Very low | 39.5 | Very low | 213 Ų | 213 | 158.5 Ų | 158.5 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | | | trans | -144.8 | 145.8 | 158.4 | -75.8 | -163 | 178.6 | 174.8 | 0 | 112.2 | | |
| 515 | N | 44.2 | Very low | 39.5 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | | | trans | -145.5 | 130.6 | -166.6 | 38.6 | -100.2 | 0 | 0 | 0 | 111.4 | | |
| 516 | T | 43.4 | Very low | 38.9 | Very low | 152 Ų | 152 | 159.5 Ų | 159.5 | 93% | 0.933 | 83% | 0.833 | S | S | * | * | | | trans | -124.8 | 153.7 | 177 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 517 | K | 44.2 | Very low | 38 | Very low | 219 Ų | 219 | 157 Ų | 157 | 95% | 0.952 | 83% | 0.829 | S | S | * | * | | | trans | -145.5 | 132.8 | -161.6 | 172.7 | -170.8 | 175.8 | -172.9 | 0 | 110.6 | | |
| 518 | G | 33.3 | Very low | 37.6 | Very low | 72 Ų | 72 | 159.3 Ų | 159.3 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | trans | 160.4 | 155.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 519 | D | 38.8 | Very low | 37.4 | Very low | 162 Ų | 162 | 158.9 Ų | 158.9 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | | | cis | -152.4 | 173.1 | -22.6 | -163.6 | 13.3 | 0 | 0 | 0 | 110 | G521 | D519-G521 PolarHBondContact O-N 3.48Š|
| 520 | K | 40.1 | Very low | 37.3 | Very low | 191 Ų | 191 | 157.6 Ų | 157.6 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | | | trans | -88.6 | 105 | -173.5 | -68.9 | 176.8 | -179.6 | 170.4 | 0 | 113.4 | | |
| 521 | G | 33.7 | Very low | 37.5 | Very low | 78 Ų | 78 | 153.8 Ų | 153.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -85 | 126.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D519 | D519-G521 PolarHBondContact O-N 3.48Š|
| 522 | K | 36.8 | Very low | 37.3 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -136.8 | 123.4 | 167.7 | -85.9 | -172.6 | 177.2 | 179.3 | 0 | 109.3 | | |
| 523 | D | 35.5 | Very low | 37.5 | Very low | 168 Ų | 168 | 155.8 Ų | 155.8 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | | | trans | -119.5 | 149.3 | 165.1 | -97.6 | -55.6 | 0 | 0 | 0 | 112.3 | | |
| 524 | K | 41.7 | Very low | 37 | Very low | 197 Ų | 197 | 157.3 Ų | 157.3 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | -146 | 94.5 | -173.9 | -92.8 | -168.3 | 168.7 | -169.9 | 0 | 111.9 | | |
| 525 | V | 34.8 | Very low | 36.3 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -148.3 | 145 | 166.5 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 526 | K | 33.1 | Very low | 35.9 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | cis | 176 | 108 | -42.6 | 168.4 | -175.7 | 178.4 | -176.7 | 0 | 109.3 | | |
| 527 | G | 30.9 | Very low | 35.3 | Very low | 65 Ų | 65 | 151.9 Ų | 151.9 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | -179.8 | 135.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 528 | K | 35.5 | Very low | 34.8 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | cis | 63.5 | 124.7 | 47.1 | -63.8 | -170.3 | 176 | -172.7 | 0 | 112.1 | | |
| 529 | R | 32 | Very low | 34.8 | Very low | 200 Ų | 200 | 151 Ų | 151 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | cis | -144.2 | 155.5 | -4.9 | -97.7 | 176.2 | 170.5 | 149 | -8.7 | 106.5 | | |
| 530 | E | 32.8 | Very low | 34.4 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | | 57.5 | 147.3 | 70.5 | -106.1 | 174.4 | -168.3 | 0 | 0 | 115.2 | | |
| 531 | S | 40.4 | Very low | 34.1 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | 70.9 | 152 | 175.7 | 71.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 532 | E | 32.7 | Very low | 34.1 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | cis | -167.4 | -177.2 | -38.4 | -133.7 | 173 | -170.4 | 0 | 0 | 111.7 | | |
| 533 | I | 36.2 | Very low | 33.8 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 65% | 0.651 | 77% | 0.774 | S | S | * | * | | | trans | -20.3 | 154.4 | 170.1 | 50 | 171.1 | 0 | 0 | 0 | 122.6 | | |
| 534 | N | 33.3 | Very low | 33.7 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | 74.6 | 153.9 | 159.1 | -55.1 | -33 | 0 | 0 | 0 | 118.3 | | |
| 535 | G | 29.7 | Very low | 33.4 | Very low | 68 Ų | 68 | 147.8 Ų | 147.8 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | cis | 170.8 | 165.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 536 | E | 35.2 | Very low | 33.4 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | 68.2 | 130.4 | 154.1 | -162.8 | 156.5 | -164.4 | 0 | 0 | 123.6 | | |
| 537 | K | 29.8 | Very low | 33.8 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | | | trans | 7.8 | 151.8 | 150.8 | -49.2 | 162 | -159.3 | 151.5 | 0 | 119.2 | | |
| 538 | S | 34.6 | Very low | 33.9 | Very low | 78 Ų | 78 | 154.1 Ų | 154.1 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | | | | 171.8 | 157.7 | 64.8 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 539 | K | 34 | Very low | 33.9 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | 62.8 | 144.6 | 159.8 | -54.2 | 137.3 | -166.9 | 156.5 | 0 | 116.7 | | |
| 540 | G | 29.6 | Very low | 34 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | cis | 113.9 | 129.5 | -7.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 541 | S | 34.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | trans | 103.1 | 146.7 | 163.4 | -157.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 542 | K | 34.2 | Very low | 33.7 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | 82.9 | 142.2 | 174.3 | -61.2 | -175.1 | -179.4 | 177.5 | 0 | 118.8 | | |
| 543 | R | 30.8 | Very low | 33.8 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | | 170 | 124.7 | -55 | 170.9 | -179.9 | -168.8 | -170.9 | 6.4 | 110.2 | | |
| 544 | R | 31.7 | Very low | 33.5 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | | | trans | 78.5 | 126.2 | 157.1 | -78.2 | 174.3 | 169.7 | -171.7 | -5.7 | 121.5 | | |
| 545 | Q | 37.1 | Very low | 33.3 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | | 57.5 | 129.6 | 126.1 | -60.9 | 172.7 | -85.3 | 0 | 0 | 120.2 | | |
| 546 | I | 33.1 | Very low | 33.5 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | | | | -148.6 | 157.1 | 96.2 | -95.8 | 154.9 | 0 | 0 | 0 | 108.6 | E548 | I546-E548 HydrophobicContact CG2-CG 3.94Š|
| 547 | Q | 42.1 | Very low | 33.3 | Very low | 193 Ų | 193 | 150 Ų | 150 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -127.5 | 107.6 | 175.4 | -176 | -178.1 | 29.4 | 0 | 0 | 107.4 | | |
| 548 | E | 32.6 | Very low | 33.3 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -127 | 141.1 | 171.9 | -74.4 | -166.6 | 152.4 | 0 | 0 | 110.3 | I546 | I546-E548 HydrophobicContact CG2-CG 3.94Š|
| 549 | G | 37.1 | Very low | 33.4 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -161.7 | 120.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 550 | S | 33.6 | Very low | 33.6 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -123.1 | 105.1 | 171.1 | 42.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 551 | T | 35.1 | Very low | 33.8 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | | 47.2 | 123.5 | 80.6 | 79.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 552 | T | 31.6 | Very low | 34 | Very low | 104 Ų | 104 | 158.3 Ų | 158.3 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | | | | -176.6 | 163.4 | 80 | 43.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 553 | K | 34.1 | Very low | 34.2 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | cis | -169.2 | 144.1 | -9.1 | -112.2 | 164.4 | -169.9 | 160.8 | 0 | 110.1 | | |
| 554 | K | 30 | Very low | 34.4 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | trans | 69.5 | 153.2 | 142.4 | -138.1 | 174.7 | 166.8 | -161.4 | 0 | 114.6 | | |
| 555 | W | 28.8 | Very low | 35.4 | Very low | 216 Ų | 216 | 151.7 Ų | 151.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | cis | -137.3 | 169 | 29.1 | -86.5 | 75.9 | 0 | 0 | 0 | 115.6 | | |
| 556 | K | 33.6 | Very low | 35.3 | Very low | 188 Ų | 188 | 151.5 Ų | 151.5 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -91.3 | 156.3 | 171.2 | -63.4 | -178.8 | 171.7 | -174.1 | 0 | 111.4 | | |
| 557 | S | 30.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 151.3 Ų | 151.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 68 | 149.1 | 147 | -144.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 558 | K | 31.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | cis | -158.5 | 176.4 | 36.3 | -163.7 | 162.2 | -175.6 | 179.1 | 0 | 112 | | |
| 559 | D | 36.8 | Very low | 35.2 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | | | trans | -55.5 | 150.4 | 172.4 | -26.5 | -93.8 | 0 | 0 | 0 | 112.3 | | |
| 560 | K | 37 | Very low | 35.1 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | | 172.1 | 144 | 104.5 | -90.7 | -170.6 | -176.2 | -174.2 | 0 | 112.7 | | |
| 561 | F | 34.4 | Very low | 35.2 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | 46.1 | 128 | 144.9 | -69 | -127.3 | 0 | 0 | 0 | 117.6 | | |
| 562 | F | 37.1 | Very low | 35.2 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | | | | -159.4 | 133.9 | 78.4 | -117.7 | -115.5 | 0 | 0 | 0 | 112.6 | | |
| 563 | K | 38.8 | Very low | 35.5 | Very low | 168 Ų | 168 | 160.9 Ų | 160.9 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | 38.9 | 133.8 | 136.3 | -59.4 | -168.3 | -176.4 | -177.9 | 0 | 121.9 | | |
| 564 | G | 36.4 | Very low | 35.6 | Very low | 57 Ų | 57 | 159.5 Ų | 159.5 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | | | trans | -77.2 | -146.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 565 | P | 51.8 | Low | 36.1 | Very low | 209 Ų | 209 | 159.8 Ų | 159.8 | 100% | 1.357 | 79% | 0.794 | S | S | * | * | | | cis | -65 | 0 | 15.2 | 28.3 | -37 | 0 | 0 | 0 | 114.7 | | |