| 1 | M | 52.2 | Low | 70.4 | Confident | 162 Ų | 162 | 100.9 Ų | 100.9 | 80% | 0.798 | 52% | 0.524 | S | S | * | . | | | | 0 | 154.2 | 0 | -68.9 | 84.5 | 105.1 | 0 | 0 | 110.9 | D5 L6 | M1-D5 VanDerWaalsContact C-OD2 3.31Å; M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 HydrophobicContact CB-CB 3.86Å; M1-D5 HydrophobicContact CG-CB 3.93Å; M1-L6 HydrophobicContact CB-CD1 3.47Å; M1-L6 VanDerWaalsContact CB-CD1 3.47Å; M1-L6 HydrophobicContact CE-CD1 4.21Å; M1-L6 HydrophobicContact CG-CD1 3.94Å |
| 2 | T | 72.6 | Confident | 70.6 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | | | trans | -91.8 | 165.7 | 152.4 | 80.8 | 0 | 0 | 0 | 0 | 110 | L4 D5 L6 | T2-L4 PolarHBondContact O-N 3.43Å; T2-L4 VanDerWaalsContact O-N 3.13Å; T2-L4 PolarHBondContact OG1-N 3.43Å; T2-D5 PolarHBondContact N-OD2 3.16Å; T2-D5 WeakPolarHBondContact O-CB 3.46Å; T2-D5 PolarHBondContact O-N 2.84Å; T2-D5 PolarHBondContact OG1-N 3.42Å; T2-D5 PolarHBondContact OG1-OD1 3.1Å; T2-L6 PolarHBondContact O-N 3.16Å |
| 3 | D | 68.9 | Low | 70.7 | Confident | 134 Ų | 134 | 96.7 Ų | 96.7 | 72% | 0.717 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53.7 | -32.6 | 173.7 | -50.8 | -18.2 | 0 | 0 | 0 | 112.5 | D5 Y7 | D3-D5 VanDerWaalsContact C-N 3.32Å; D3-Y7 VanDerWaalsContact O-CD2 3.27Å; D3-Y7 WeakPolarHBondContact O-CD2 3.43Å; D3-Y7 PolarHBondContact O-N 3.32Å |
| 4 | L | 70.8 | Confident | 71 | Confident | 82 Ų | 82 | 95.8 Ų | 95.8 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.7 | -28.5 | 177.8 | -165.8 | 73 | 0 | 0 | 0 | 111.8 | T2 S8 | T2-L4 PolarHBondContact O-N 3.43Å; T2-L4 VanDerWaalsContact O-N 3.13Å; T2-L4 PolarHBondContact OG1-N 3.43Å; L4-S8 WeakPolarHBondContact O-CB 3.32Å; L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 3.21Å |
| 5 | D | 72.1 | Confident | 71.2 | Confident | 69 Ų | 69 | 95.2 Ų | 95.2 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.6 | -45.4 | 177.3 | -41 | -3.4 | 0 | 0 | 0 | 108.3 | M1 T2 D3 Y7 S8 E9 | M1-D5 VanDerWaalsContact C-OD2 3.31Å; M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 HydrophobicContact CB-CB 3.86Å; M1-D5 HydrophobicContact CG-CB 3.93Å; T2-D5 PolarHBondContact N-OD2 3.16Å; T2-D5 WeakPolarHBondContact O-CB 3.46Å; T2-D5 PolarHBondContact O-N 2.84Å; T2-D5 PolarHBondContact OG1-N 3.42Å; T2-D5 PolarHBondContact OG1-OD1 3.1Å; D3-D5 VanDerWaalsContact C-N 3.32Å; D5-Y7 PolarHBondContact O-N 3.01Å; D5-S8 CarbonylContact O-C 3.6Å; D5-S8 WeakPolarHBondContact O-CA 3.4Å; D5-S8 WeakPolarHBondContact O-CB 3.46Å; D5-S8 PolarHBondContact O-N 3.1Å; D5-E9 WeakPolarHBondContact O-CB 3.27Å; D5-E9 PolarHBondContact O-N 3.26Å |
| 6 | L | 70.7 | Confident | 71.3 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 172.1 | -91.1 | 79.1 | 0 | 0 | 0 | 111.9 | M1 T2 S8 E9 I10 | M1-L6 HydrophobicContact CB-CD1 3.47Å; M1-L6 VanDerWaalsContact CB-CD1 3.47Å; M1-L6 HydrophobicContact CE-CD1 4.21Å; M1-L6 HydrophobicContact CG-CD1 3.94Å; T2-L6 PolarHBondContact O-N 3.16Å; L6-S8 PolarHBondContact O-N 3.04Å; L6-E9 PolarHBondContact O-N 3.36Å; L6-I10 WeakPolarHBondContact O-CB 3.3Å; L6-I10 WeakPolarHBondContact O-CD1 3.46Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.23Å |
| 7 | Y | 71.8 | Confident | 71.5 | Confident | 163 Ų | 163 | 98.2 Ų | 98.2 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -28.5 | 176.3 | -88.8 | -63.3 | 0 | 0 | 0 | 112.9 | D3 D5 V11 | D3-Y7 VanDerWaalsContact O-CD2 3.27Å; D3-Y7 WeakPolarHBondContact O-CD2 3.43Å; D3-Y7 PolarHBondContact O-N 3.32Å; D5-Y7 PolarHBondContact O-N 3.01Å; Y7-V11 WeakPolarHBondContact O-CB 3.22Å; Y7-V11 WeakPolarHBondContact O-CG2 3.36Å; Y7-V11 PolarHBondContact O-N 3.19Å |
| 8 | S | 76 | Confident | 71.3 | Confident | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -79.7 | -36.2 | 177.9 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | L4 D5 L6 A12 | L4-S8 WeakPolarHBondContact O-CB 3.32Å; L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 3.21Å; D5-S8 CarbonylContact O-C 3.6Å; D5-S8 WeakPolarHBondContact O-CA 3.4Å; D5-S8 WeakPolarHBondContact O-CB 3.46Å; D5-S8 PolarHBondContact O-N 3.1Å; L6-S8 PolarHBondContact O-N 3.04Å; S8-A12 WeakPolarHBondContact O-CB 3.28Å; S8-A12 PolarHBondContact O-N 3.31Å |
| 9 | E | 70.2 | Confident | 71.2 | Confident | 103 Ų | 103 | 100.7 Ų | 100.7 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -46.5 | 176.3 | -166.9 | 162.2 | -138.8 | 0 | 0 | 110.9 | D5 L6 V11 A12 E13 | D5-E9 WeakPolarHBondContact O-CB 3.27Å; D5-E9 PolarHBondContact O-N 3.26Å; L6-E9 PolarHBondContact O-N 3.36Å; E9-V11 PolarHBondContact O-N 2.65Å; E9-A12 PolarHBondContact O-N 3.33Å; E9-E13 PolarHBondContact O-N 3.07Å |
| 10 | I | 73.3 | Confident | 71.1 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 45% | 0.451 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 174.5 | -66.3 | 163.3 | 0 | 0 | 0 | 111.5 | L6 E13 D14 | L6-I10 WeakPolarHBondContact O-CB 3.3Å; L6-I10 WeakPolarHBondContact O-CD1 3.46Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.23Å; I10-E13 PolarHBondContact O-N 3.34Å; I10-D14 PolarHBondContact O-N 3.27Å |
| 11 | V | 75.4 | Confident | 71 | Confident | 81 Ų | 81 | 105.1 Ų | 105.1 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 177.9 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | Y7 E9 D14 D15 | Y7-V11 WeakPolarHBondContact O-CB 3.22Å; Y7-V11 WeakPolarHBondContact O-CG2 3.36Å; Y7-V11 PolarHBondContact O-N 3.19Å; E9-V11 PolarHBondContact O-N 2.65Å; V11-D14 PolarHBondContact O-N 3.31Å; V11-D15 WeakPolarHBondContact O-CB 3.5Å; V11-D15 PolarHBondContact O-N 2.96Å |
| 12 | A | 73.2 | Confident | 71.4 | Confident | 49 Ų | 49 | 99.6 Ų | 99.6 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S8 E9 D14 D15 E16 | S8-A12 WeakPolarHBondContact O-CB 3.28Å; S8-A12 PolarHBondContact O-N 3.31Å; E9-A12 PolarHBondContact O-N 3.33Å; A12-D14 PolarHBondContact O-N 3.27Å; A12-D15 PolarHBondContact O-N 2.96Å; A12-E16 WeakPolarHBondContact O-CB 3.48Å; A12-E16 WeakPolarHBondContact O-CG 3.42Å; A12-E16 PolarHBondContact O-N 2.83Å |
| 13 | E | 71.6 | Confident | 71 | Confident | 98 Ų | 98 | 100.8 Ų | 100.8 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 174.1 | -90 | -164.6 | -138 | 0 | 0 | 112.7 | E9 I10 K17 | E9-E13 PolarHBondContact O-N 3.07Å; I10-E13 PolarHBondContact O-N 3.34Å; E13-K17 WeakPolarHBondContact O-CB 3.46Å; E13-K17 VanDerWaalsContact O-CD 3.26Å; E13-K17 WeakPolarHBondContact O-CD 3.5Å; E13-K17 WeakPolarHBondContact O-CE 3.47Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.02Å; E13-K17 WeakPolarHBondContact OE2-CE 3.45Å; E13-K17 IonicContact OE2-NZ 3.51Å; E13-K17 PolarHBondContact OE2-NZ 3.39Å |
| 14 | D | 74.8 | Confident | 71 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 178.8 | -83 | -6.1 | 0 | 0 | 0 | 112.1 | I10 V11 A12 R18 | I10-D14 PolarHBondContact O-N 3.27Å; V11-D14 PolarHBondContact O-N 3.31Å; A12-D14 PolarHBondContact O-N 3.27Å; D14-R18 VanDerWaalsContact O-CB 3.3Å; D14-R18 WeakPolarHBondContact O-CB 3.45Å; D14-R18 VanDerWaalsContact O-CD 3.26Å; D14-R18 WeakPolarHBondContact O-CD 3.33Å; D14-R18 WeakPolarHBondContact O-CG 3.49Å; D14-R18 PolarHBondContact O-N 2.82Å |
| 15 | D | 74.9 | Confident | 70.7 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.1 | -32.5 | 175.7 | -82.2 | -19 | 0 | 0 | 0 | 112.5 | V11 A12 R18 L19 | V11-D15 WeakPolarHBondContact O-CB 3.5Å; V11-D15 PolarHBondContact O-N 2.96Å; A12-D15 PolarHBondContact O-N 2.96Å; D15-R18 IonicContact OD1-NH1 2.63Å; D15-R18 PolarHBondContact OD1-NH1 3Å; D15-R18 VanDerWaalsContact OD1-NH1 3.11Å; D15-L19 WeakPolarHBondContact O-CB 3.44Å; D15-L19 PolarHBondContact O-N 3.12Å |
| 16 | E | 72.5 | Confident | 70.8 | Confident | 139 Ų | 139 | 98.8 Ų | 98.8 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.4 | -48.7 | 171.5 | -77.7 | -174.1 | 175.3 | 0 | 0 | 111.8 | A12 R18 L19 E20 | A12-E16 WeakPolarHBondContact O-CB 3.48Å; A12-E16 WeakPolarHBondContact O-CG 3.42Å; A12-E16 PolarHBondContact O-N 2.83Å; E16-R18 VanDerWaalsContact C-N 3.26Å; E16-R18 PolarHBondContact O-N 3.43Å; E16-L19 WeakPolarHBondContact O-CB 3.15Å; E16-L19 PolarHBondContact O-N 3.37Å; E16-L19 VanDerWaalsContact O-N 3.08Å; E16-E20 PolarHBondContact O-N 3.13Å |
| 17 | K | 74.2 | Confident | 71 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 175.5 | -68.3 | 159.8 | -160.3 | 164.2 | 0 | 111.7 | E13 Y21 | E13-K17 WeakPolarHBondContact O-CB 3.46Å; E13-K17 VanDerWaalsContact O-CD 3.26Å; E13-K17 WeakPolarHBondContact O-CD 3.5Å; E13-K17 WeakPolarHBondContact O-CE 3.47Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.02Å; E13-K17 WeakPolarHBondContact OE2-CE 3.45Å; E13-K17 IonicContact OE2-NZ 3.51Å; E13-K17 PolarHBondContact OE2-NZ 3.39Å; K17-Y21 WeakPolarHBondContact O-CB 3.44Å; K17-Y21 PolarHBondContact O-N 3.28Å; K17-Y21 VanDerWaalsContact O-N 3.08Å |
| 18 | R | 69.1 | Low | 71.4 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.7 | -35.4 | 175.8 | -70.7 | 166.7 | 83.7 | -144.8 | 5.9 | 112 | D14 D15 E16 L22 | D14-R18 VanDerWaalsContact O-CB 3.3Å; D14-R18 WeakPolarHBondContact O-CB 3.45Å; D14-R18 VanDerWaalsContact O-CD 3.26Å; D14-R18 WeakPolarHBondContact O-CD 3.33Å; D14-R18 WeakPolarHBondContact O-CG 3.49Å; D14-R18 PolarHBondContact O-N 2.82Å; D15-R18 IonicContact OD1-NH1 2.63Å; D15-R18 PolarHBondContact OD1-NH1 3Å; D15-R18 VanDerWaalsContact OD1-NH1 3.11Å; E16-R18 VanDerWaalsContact C-N 3.26Å; E16-R18 PolarHBondContact O-N 3.43Å; R18-L22 VanDerWaalsContact O-CB 3.28Å; R18-L22 WeakPolarHBondContact O-CB 3.46Å; R18-L22 WeakPolarHBondContact O-CD1 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.49Å; R18-L22 PolarHBondContact O-N 3.14Å |
| 19 | L | 69.2 | Low | 71.5 | Confident | 108 Ų | 108 | 97 Ų | 97 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.1 | -44.6 | 174.5 | -176.6 | 62.9 | 0 | 0 | 0 | 111.5 | D15 E16 Y21 L22 C23 | D15-L19 WeakPolarHBondContact O-CB 3.44Å; D15-L19 PolarHBondContact O-N 3.12Å; E16-L19 WeakPolarHBondContact O-CB 3.15Å; E16-L19 PolarHBondContact O-N 3.37Å; E16-L19 VanDerWaalsContact O-N 3.08Å; L19-Y21 VanDerWaalsContact C-N 3.35Å; L19-Y21 PolarHBondContact O-N 3.35Å; L19-L22 PolarHBondContact O-N 2.99Å; L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.32Å; L19-C23 PolarHBondContact O-SG 2.99Å; L19-C23 VanDerWaalsContact O-SG 3.39Å |
| 20 | E | 68.1 | Low | 71.8 | Confident | 147 Ų | 147 | 94.9 Ų | 94.9 | 69% | 0.687 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 176.5 | -172.5 | 171.9 | -140.8 | 0 | 0 | 111.7 | E16 C23 S24 | E16-E20 PolarHBondContact O-N 3.13Å; E20-C23 PolarHBondContact O-N 3.41Å; E20-S24 PolarHBondContact O-N 2.96Å; E20-S24 PolarHBondContact O-OG 3.03Å |
| 21 | Y | 68.9 | Low | 72.2 | Confident | 146 Ų | 146 | 94.5 Ų | 94.5 | 57% | 0.573 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 172 | -177.2 | -111.7 | 0 | 0 | 0 | 112.4 | K17 L19 C23 S24 L25 | K17-Y21 WeakPolarHBondContact O-CB 3.44Å; K17-Y21 PolarHBondContact O-N 3.28Å; K17-Y21 VanDerWaalsContact O-N 3.08Å; L19-Y21 VanDerWaalsContact C-N 3.35Å; L19-Y21 PolarHBondContact O-N 3.35Å; Y21-C23 VanDerWaalsContact C-N 3.26Å; Y21-C23 PolarHBondContact O-N 2.87Å; Y21-S24 WeakPolarHBondContact CA-OG 3.42Å; Y21-S24 PolarHBondContact O-N 3.24Å; Y21-S24 PolarHBondContact O-OG 3.2Å; Y21-S24 VanDerWaalsContact O-OG 3.08Å; Y21-L25 HydrophobicContact CD1-CD1 4.28Å; Y21-L25 HydrophobicContact CE1-CD1 3.87Å; Y21-L25 HydrophobicContact CE1-CD2 4.5Å; Y21-L25 HydrophobicContact CE1-CG 4.37Å; Y21-L25 HydrophobicContact CE2-CD2 4.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.45Å; Y21-L25 PolarHBondContact O-N 3.18Å |
| 22 | L | 62.1 | Low | 72.6 | Confident | 46 Ų | 46 | 97.1 Ų | 97.1 | 24% | 0.241 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.9 | -24.8 | 179.6 | -74.6 | 168.9 | 0 | 0 | 0 | 113.8 | R18 L19 L25 H30 | R18-L22 VanDerWaalsContact O-CB 3.28Å; R18-L22 WeakPolarHBondContact O-CB 3.46Å; R18-L22 WeakPolarHBondContact O-CD1 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.49Å; R18-L22 PolarHBondContact O-N 3.14Å; L19-L22 PolarHBondContact O-N 2.99Å; L22-L25 HydrophobicContact CD2-CD1 4.36Å; L22-H30 PolarHBondContact O-ND1 3.03Å |
| 23 | C | 63.4 | Low | 72.9 | Confident | 101 Ų | 101 | 96.1 Ų | 96.1 | 68% | 0.682 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -85.7 | -15.3 | 175.2 | -74.9 | 0 | 0 | 0 | 0 | 114.2 | L19 E20 Y21 | L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.32Å; L19-C23 PolarHBondContact O-SG 2.99Å; L19-C23 VanDerWaalsContact O-SG 3.39Å; E20-C23 PolarHBondContact O-N 3.41Å; Y21-C23 VanDerWaalsContact C-N 3.26Å; Y21-C23 PolarHBondContact O-N 2.87Å |
| 24 | S | 68.2 | Low | 73.6 | Confident | 89 Ų | 89 | 95.5 Ų | 95.5 | 62% | 0.622 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -98.7 | -6.4 | 176.3 | 45.5 | 0 | 0 | 0 | 0 | 113.7 | E20 Y21 | E20-S24 PolarHBondContact O-N 2.96Å; E20-S24 PolarHBondContact O-OG 3.03Å; Y21-S24 WeakPolarHBondContact CA-OG 3.42Å; Y21-S24 PolarHBondContact O-N 3.24Å; Y21-S24 PolarHBondContact O-OG 3.2Å; Y21-S24 VanDerWaalsContact O-OG 3.08Å |
| 25 | L | 64.2 | Low | 74.2 | Confident | 29 Ų | 29 | 97.7 Ų | 97.7 | 15% | 0.152 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -78.7 | 132.1 | 170.9 | -72.3 | 175.7 | 0 | 0 | 0 | 112.2 | Y21 L22 E29 H30 | Y21-L25 HydrophobicContact CD1-CD1 4.28Å; Y21-L25 HydrophobicContact CE1-CD1 3.87Å; Y21-L25 HydrophobicContact CE1-CD2 4.5Å; Y21-L25 HydrophobicContact CE1-CG 4.37Å; Y21-L25 HydrophobicContact CE2-CD2 4.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.45Å; Y21-L25 PolarHBondContact O-N 3.18Å; L22-L25 HydrophobicContact CD2-CD1 4.36Å; L25-E29 HydrophobicContact CB-CB 4.2Å; L25-E29 HydrophobicContact CD2-CB 3.9Å; L25-E29 HydrophobicContact CG-CB 4.5Å; L25-H30 HydrophobicContact CB-CB 4.21Å |
| 26 | D | 75.8 | Confident | 74.9 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | | | trans | -59.2 | 147.1 | 167.1 | -118.4 | -26.2 | 0 | 0 | 0 | 110.8 | P28 E29 H30 | D26-P28 VanDerWaalsContact C-CD 3.46Å; D26-P28 VanDerWaalsContact C-N 3.35Å; D26-P28 VanDerWaalsContact O-N 3.13Å; D26-E29 HydrophobicContact CB-CG 4.01Å; D26-E29 WeakPolarHBondContact O-CA 3.39Å; D26-E29 VanDerWaalsContact O-CB 3.3Å; D26-E29 WeakPolarHBondContact O-CB 3.44Å; D26-E29 PolarHBondContact O-N 3.16Å; D26-H30 PolarHBondContact O-N 3.49Å |
| 27 | V | 75.1 | Confident | 75.7 | Confident | 110 Ų | 110 | 95 Ų | 95 | 67% | 0.667 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -52.2 | -41.8 | -171 | -177.6 | 0 | 0 | 0 | 0 | 113.9 | E29 H30 V31 | V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 PolarHBondContact O-N 3.29Å; V27-H30 PolarHBondContact O-N 3.33Å; V27-V31 WeakPolarHBondContact O-CG2 3.44Å; V27-V31 PolarHBondContact O-N 3.36Å |
| 28 | P | 78.9 | Confident | 76.4 | Confident | 83 Ų | 83 | 92.8 Ų | 92.8 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.9 | -21.9 | 175.7 | -19.4 | 34 | 0 | 0 | 0 | 114.7 | D26 R32 | D26-P28 VanDerWaalsContact C-CD 3.46Å; D26-P28 VanDerWaalsContact C-N 3.35Å; D26-P28 VanDerWaalsContact O-N 3.13Å; P28-R32 WeakPolarHBondContact O-CG 3.45Å; P28-R32 PolarHBondContact O-N 2.93Å; P28-R32 PolarHBondContact O-NE 3.39Å |
| 29 | E | 78.3 | Confident | 77.4 | Confident | 86 Ų | 86 | 89.7 Ų | 89.7 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.4 | -45.3 | 174.2 | -50.2 | -116.9 | 108.4 | 0 | 0 | 110 | L25 D26 V27 V31 R32 S33 | L25-E29 HydrophobicContact CB-CB 4.2Å; L25-E29 HydrophobicContact CD2-CB 3.9Å; L25-E29 HydrophobicContact CG-CB 4.5Å; D26-E29 HydrophobicContact CB-CG 4.01Å; D26-E29 WeakPolarHBondContact O-CA 3.39Å; D26-E29 VanDerWaalsContact O-CB 3.3Å; D26-E29 WeakPolarHBondContact O-CB 3.44Å; D26-E29 PolarHBondContact O-N 3.16Å; V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 PolarHBondContact O-N 3.29Å; E29-V31 VanDerWaalsContact C-N 3.31Å; E29-V31 PolarHBondContact O-N 2.99Å; E29-R32 PolarHBondContact O-N 3.29Å; E29-R32 VanDerWaalsContact O-N 3.13Å; E29-R32 IonicContact OE1-CZ 2.65Å; E29-R32 IonicContact OE1-NH1 3.56Å; E29-R32 IonicContact OE1-NH2 3.43Å; E29-R32 PolarHBondContact OE1-NH2 2.93Å; E29-S33 PolarHBondContact O-N 3.35Å |
| 30 | H | 76.8 | Confident | 78.4 | Confident | 58 Ų | 58 | 90.6 Ų | 90.6 | 27% | 0.269 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.2 | -43.2 | 174.6 | -170.2 | 111.5 | 0 | 0 | 0 | 111.3 | L22 L25 D26 V27 S33 L34 | L22-H30 PolarHBondContact O-ND1 3.03Å; L25-H30 HydrophobicContact CB-CB 4.21Å; D26-H30 PolarHBondContact O-N 3.49Å; V27-H30 PolarHBondContact O-N 3.33Å; H30-S33 WeakPolarHBondContact O-CB 3.28Å; H30-S33 PolarHBondContact O-N 3.31Å; H30-L34 WeakPolarHBondContact O-CG 3.46Å; H30-L34 PolarHBondContact O-N 3.45Å |
| 31 | V | 81.4 | Confident | 79.6 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | V27 E29 L34 Q35 | V27-V31 WeakPolarHBondContact O-CG2 3.44Å; V27-V31 PolarHBondContact O-N 3.36Å; E29-V31 VanDerWaalsContact C-N 3.31Å; E29-V31 PolarHBondContact O-N 2.99Å; V31-L34 PolarHBondContact O-N 2.8Å; V31-Q35 WeakPolarHBondContact O-CB 3.3Å; V31-Q35 PolarHBondContact O-N 3.3Å |
| 32 | R | 83.2 | Confident | 80.7 | Confident | 136 Ų | 136 | 87.1 Ų | 87.1 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.1 | -81.2 | 179.2 | -74.4 | 151.4 | -2.4 | 112.1 | P28 E29 Q35 T36 | P28-R32 WeakPolarHBondContact O-CG 3.45Å; P28-R32 PolarHBondContact O-N 2.93Å; P28-R32 PolarHBondContact O-NE 3.39Å; E29-R32 PolarHBondContact O-N 3.29Å; E29-R32 VanDerWaalsContact O-N 3.13Å; E29-R32 IonicContact OE1-CZ 2.65Å; E29-R32 IonicContact OE1-NH1 3.56Å; E29-R32 IonicContact OE1-NH2 3.43Å; E29-R32 PolarHBondContact OE1-NH2 2.93Å; R32-Q35 PolarHBondContact O-N 2.92Å; R32-T36 WeakPolarHBondContact O-CB 3.44Å; R32-T36 PolarHBondContact O-N 3.2Å; R32-T36 PolarHBondContact O-OG1 3.18Å |
| 33 | S | 80 | Confident | 82.1 | Confident | 29 Ų | 29 | 87.7 Ų | 87.7 | 20% | 0.203 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61.3 | -50.1 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | E29 H30 Q35 T36 Q37 | E29-S33 PolarHBondContact O-N 3.35Å; H30-S33 WeakPolarHBondContact O-CB 3.28Å; H30-S33 PolarHBondContact O-N 3.31Å; S33-Q35 PolarHBondContact O-N 2.89Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-Q37 WeakPolarHBondContact O-CG 3.26Å; S33-Q37 PolarHBondContact O-N 2.92Å; S33-Q37 PolarHBondContact OG-NE2 3.39Å |
| 34 | L | 85.6 | Confident | 83.4 | Confident | 85 Ų | 85 | 88 Ų | 88 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 175.6 | -71.4 | 178.4 | 0 | 0 | 0 | 112.8 | H30 V31 T36 Q37 S38 | H30-L34 WeakPolarHBondContact O-CG 3.46Å; H30-L34 PolarHBondContact O-N 3.45Å; V31-L34 PolarHBondContact O-N 2.8Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.41Å; L34-Q37 PolarHBondContact O-N 3.4Å; L34-S38 PolarHBondContact O-N 2.92Å |
| 35 | Q | 87.9 | Confident | 84.5 | Confident | 129 Ų | 129 | 87.8 Ų | 87.8 | 60% | 0.603 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 176.5 | -173.6 | 175.4 | 0.2 | 0 | 0 | 111.5 | V31 R32 S33 S38 S39 | V31-Q35 WeakPolarHBondContact O-CB 3.3Å; V31-Q35 PolarHBondContact O-N 3.3Å; R32-Q35 PolarHBondContact O-N 2.92Å; S33-Q35 PolarHBondContact O-N 2.89Å; Q35-S38 PolarHBondContact O-N 3.48Å; Q35-S39 PolarHBondContact O-N 2.95Å; Q35-S39 PolarHBondContact O-OG 3.16Å; Q35-S39 VanDerWaalsContact O-OG 3.14Å |
| 36 | T | 90.1 | Very high | 85.8 | Confident | 98 Ų | 98 | 93.1 Ų | 93.1 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -43 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | R32 S33 L34 S38 S39 L40 | R32-T36 WeakPolarHBondContact O-CB 3.44Å; R32-T36 PolarHBondContact O-N 3.2Å; R32-T36 PolarHBondContact O-OG1 3.18Å; S33-T36 PolarHBondContact O-N 2.97Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.41Å; T36-S38 VanDerWaalsContact C-N 3.35Å; T36-S38 PolarHBondContact O-N 2.89Å; T36-S39 PolarHBondContact O-N 3.41Å; T36-L40 PolarHBondContact O-N 2.82Å |
| 37 | Q | 88.5 | Confident | 86.5 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 174.2 | -69.3 | 178.8 | 37.3 | 0 | 0 | 112.1 | S33 L34 L40 L41 | S33-Q37 WeakPolarHBondContact O-CG 3.26Å; S33-Q37 PolarHBondContact O-N 2.92Å; S33-Q37 PolarHBondContact OG-NE2 3.39Å; L34-Q37 PolarHBondContact O-N 3.4Å; Q37-L40 PolarHBondContact O-N 3.42Å; Q37-L41 WeakPolarHBondContact O-CB 3.17Å; Q37-L41 VanDerWaalsContact O-CG 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.46Å; Q37-L41 PolarHBondContact O-N 3.42Å |
| 38 | S | 88.8 | Confident | 87.3 | Confident | 57 Ų | 57 | 89.3 Ų | 89.3 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 175.2 | -161.9 | 0 | 0 | 0 | 0 | 111.7 | L34 Q35 T36 L40 L41 E42 | L34-S38 PolarHBondContact O-N 2.92Å; Q35-S38 PolarHBondContact O-N 3.48Å; T36-S38 VanDerWaalsContact C-N 3.35Å; T36-S38 PolarHBondContact O-N 2.89Å; S38-L40 VanDerWaalsContact C-N 3.33Å; S38-L40 PolarHBondContact O-N 2.98Å; S38-L41 PolarHBondContact O-N 3.13Å; S38-E42 WeakPolarHBondContact O-CG 3.26Å; S38-E42 PolarHBondContact O-N 2.63Å |
| 39 | S | 89.9 | Confident | 87.9 | Confident | 72 Ų | 72 | 90.3 Ų | 90.3 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 176.7 | -61 | 0 | 0 | 0 | 0 | 112.6 | Q35 T36 E42 A43 | Q35-S39 PolarHBondContact O-N 2.95Å; Q35-S39 PolarHBondContact O-OG 3.16Å; Q35-S39 VanDerWaalsContact O-OG 3.14Å; T36-S39 PolarHBondContact O-N 3.41Å; S39-E42 PolarHBondContact O-N 3.13Å; S39-A43 PolarHBondContact O-N 2.87Å; S39-A43 VanDerWaalsContact O-N 3.08Å |
| 40 | L | 91.6 | Very high | 88.5 | Confident | 126 Ų | 126 | 89 Ų | 89 | 66% | 0.66 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -45 | 176.6 | -176.1 | 64.8 | 0 | 0 | 0 | 111.8 | T36 Q37 S38 E42 A43 E44 | T36-L40 PolarHBondContact O-N 2.82Å; Q37-L40 PolarHBondContact O-N 3.42Å; S38-L40 VanDerWaalsContact C-N 3.33Å; S38-L40 PolarHBondContact O-N 2.98Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.36Å; L40-A43 PolarHBondContact O-N 3.28Å; L40-E44 PolarHBondContact O-N 3.03Å |
| 41 | L | 92.2 | Very high | 89.2 | Confident | 104 Ų | 104 | 90 Ų | 90 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -33.4 | 177.3 | -70.7 | 168.6 | 0 | 0 | 0 | 112.5 | Q37 S38 V45 | Q37-L41 WeakPolarHBondContact O-CB 3.17Å; Q37-L41 VanDerWaalsContact O-CG 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.46Å; Q37-L41 PolarHBondContact O-N 3.42Å; S38-L41 PolarHBondContact O-N 3.13Å; L41-V45 WeakPolarHBondContact O-CB 3.3Å; L41-V45 VanDerWaalsContact O-CG2 3.24Å; L41-V45 WeakPolarHBondContact O-CG2 3.24Å; L41-V45 PolarHBondContact O-N 3.17Å |
| 42 | E | 91.7 | Very high | 89.7 | Confident | 117 Ų | 117 | 89.9 Ų | 89.9 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 174.2 | -75.8 | -178.7 | -165.3 | 0 | 0 | 111.8 | S38 S39 L40 V45 E46 | S38-E42 WeakPolarHBondContact O-CG 3.26Å; S38-E42 PolarHBondContact O-N 2.63Å; S39-E42 PolarHBondContact O-N 3.13Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.36Å; E42-V45 PolarHBondContact O-N 3.04Å; E42-E46 PolarHBondContact O-N 3.22Å |
| 43 | A | 91.5 | Very high | 90 | Very high | 57 Ų | 57 | 85.6 Ų | 85.6 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S39 L40 E46 A47 | S39-A43 PolarHBondContact O-N 2.87Å; S39-A43 VanDerWaalsContact O-N 3.08Å; L40-A43 PolarHBondContact O-N 3.28Å; A43-E46 PolarHBondContact O-N 3.46Å; A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 3.14Å |
| 44 | E | 92.1 | Very high | 90.6 | Very high | 109 Ų | 109 | 90.7 Ų | 90.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.3 | -166.8 | -169.8 | 169.5 | 0 | 0 | 111.4 | L40 E46 A47 L48 | L40-E44 PolarHBondContact O-N 3.03Å; E44-E46 VanDerWaalsContact C-N 3.32Å; E44-E46 PolarHBondContact O-N 3.34Å; E44-A47 PolarHBondContact O-N 3.18Å; E44-L48 HydrophobicContact CG-CD1 4.02Å; E44-L48 HydrophobicContact CG-CG 4.37Å; E44-L48 WeakPolarHBondContact O-CB 3.48Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.39Å; E44-L48 PolarHBondContact O-N 2.96Å |
| 45 | V | 91.5 | Very high | 90.9 | Very high | 83 Ų | 83 | 90.5 Ų | 90.5 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 177 | 165.9 | 0 | 0 | 0 | 0 | 111.7 | L41 E42 N49 | L41-V45 WeakPolarHBondContact O-CB 3.3Å; L41-V45 VanDerWaalsContact O-CG2 3.24Å; L41-V45 WeakPolarHBondContact O-CG2 3.24Å; L41-V45 PolarHBondContact O-N 3.17Å; E42-V45 PolarHBondContact O-N 3.04Å; V45-N49 VanDerWaalsContact O-CB 3.24Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 PolarHBondContact O-N 3.33Å |
| 46 | E | 91.5 | Very high | 91.1 | Very high | 142 Ų | 142 | 89.3 Ų | 89.3 | 66% | 0.664 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -46.3 | 173.6 | -178.2 | 161.4 | -151.9 | 0 | 0 | 112 | E42 A43 E44 L48 N49 A50 | E42-E46 PolarHBondContact O-N 3.22Å; A43-E46 PolarHBondContact O-N 3.46Å; E44-E46 VanDerWaalsContact C-N 3.32Å; E44-E46 PolarHBondContact O-N 3.34Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 3.33Å; E46-N49 PolarHBondContact O-N 2.9Å; E46-N49 VanDerWaalsContact O-N 3.17Å; E46-A50 PolarHBondContact O-N 3.08Å |
| 47 | A | 90.2 | Very high | 91.1 | Very high | 62 Ų | 62 | 91.6 Ų | 91.6 | 51% | 0.512 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A43 E44 A50 H51 | A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 3.14Å; E44-A47 PolarHBondContact O-N 3.18Å; A47-A50 PolarHBondContact O-N 3.21Å; A47-H51 WeakPolarHBondContact O-CB 3.47Å; A47-H51 PolarHBondContact O-N 3.46Å |
| 48 | L | 92 | Very high | 91.2 | Very high | 93 Ų | 93 | 92.8 Ų | 92.8 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 174.2 | -73 | 171.3 | 0 | 0 | 0 | 111.8 | E44 E46 H51 V52 | E44-L48 HydrophobicContact CG-CD1 4.02Å; E44-L48 HydrophobicContact CG-CG 4.37Å; E44-L48 WeakPolarHBondContact O-CB 3.48Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.39Å; E44-L48 PolarHBondContact O-N 2.96Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 3.33Å; L48-H51 WeakPolarHBondContact O-CB 3.24Å; L48-H51 PolarHBondContact O-N 2.92Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.32Å |
| 49 | N | 91.9 | Very high | 91.4 | Very high | 103 Ų | 103 | 97 Ų | 97 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 176.6 | -175.2 | 48.8 | 0 | 0 | 0 | 112.1 | V45 E46 H51 S53 | V45-N49 VanDerWaalsContact O-CB 3.24Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 PolarHBondContact O-N 3.33Å; E46-N49 PolarHBondContact O-N 2.9Å; E46-N49 VanDerWaalsContact O-N 3.17Å; N49-H51 VanDerWaalsContact C-N 3.35Å; N49-S53 VanDerWaalsContact O-CB 3.32Å; N49-S53 WeakPolarHBondContact O-CB 3.42Å; N49-S53 PolarHBondContact O-N 3.08Å; N49-S53 PolarHBondContact O-OG 3.33Å |
| 50 | A | 90.9 | Very high | 91.5 | Very high | 59 Ų | 59 | 97.3 Ų | 97.3 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E46 A47 S53 R54 | E46-A50 PolarHBondContact O-N 3.08Å; A47-A50 PolarHBondContact O-N 3.21Å; A50-S53 WeakPolarHBondContact O-CB 3.44Å; A50-S53 PolarHBondContact O-N 3.27Å; A50-R54 PolarHBondContact O-N 2.9Å |
| 51 | H | 90.8 | Very high | 91.4 | Very high | 79 Ų | 79 | 95 Ų | 95 | 37% | 0.366 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.5 | -166.7 | -105.1 | 0 | 0 | 0 | 112.6 | A47 L48 N49 S53 R54 L55 | A47-H51 WeakPolarHBondContact O-CB 3.47Å; A47-H51 PolarHBondContact O-N 3.46Å; L48-H51 WeakPolarHBondContact O-CB 3.24Å; L48-H51 PolarHBondContact O-N 2.92Å; N49-H51 VanDerWaalsContact C-N 3.35Å; H51-S53 VanDerWaalsContact C-N 3.33Å; H51-S53 PolarHBondContact O-N 3.37Å; H51-R54 PolarHBondContact CD2-NH2 3.08Å; H51-R54 PolarHBondContact NE2-NH2 2.89Å; H51-R54 WeakPolarHBondContact O-CB 3.49Å; H51-R54 PolarHBondContact O-N 3.3Å; H51-L55 WeakPolarHBondContact O-CG 3.19Å; H51-L55 PolarHBondContact O-N 3.33Å |
| 52 | V | 91.7 | Very high | 91.4 | Very high | 77 Ų | 77 | 95.5 Ų | 95.5 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 172.5 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | L48 R54 L55 E56 | L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.32Å; V52-R54 PolarHBondContact O-N 2.9Å; V52-L55 PolarHBondContact O-N 3.08Å; V52-L55 VanDerWaalsContact O-N 3.12Å; V52-E56 HydrophobicContact CG1-CG 4.37Å; V52-E56 WeakPolarHBondContact O-CG 3.41Å; V52-E56 PolarHBondContact O-N 2.79Å |
| 53 | S | 90.5 | Very high | 91.4 | Very high | 46 Ų | 46 | 93.1 Ų | 93.1 | 32% | 0.322 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -31.3 | 177.3 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | N49 A50 H51 K57 | N49-S53 VanDerWaalsContact O-CB 3.32Å; N49-S53 WeakPolarHBondContact O-CB 3.42Å; N49-S53 PolarHBondContact O-N 3.08Å; N49-S53 PolarHBondContact O-OG 3.33Å; A50-S53 WeakPolarHBondContact O-CB 3.44Å; A50-S53 PolarHBondContact O-N 3.27Å; H51-S53 VanDerWaalsContact C-N 3.33Å; H51-S53 PolarHBondContact O-N 3.37Å; S53-K57 WeakPolarHBondContact O-CD 3.39Å; S53-K57 VanDerWaalsContact O-CG 3.29Å; S53-K57 WeakPolarHBondContact O-CG 3.46Å; S53-K57 PolarHBondContact O-N 3.2Å |
| 54 | R | 92.2 | Very high | 91.2 | Very high | 135 Ų | 135 | 93.2 Ų | 93.2 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.5 | -50.3 | 171.3 | -178.5 | 174.7 | 72 | -175.4 | 5.4 | 111.4 | A50 H51 V52 E56 K57 E58 | A50-R54 PolarHBondContact O-N 2.9Å; H51-R54 PolarHBondContact CD2-NH2 3.08Å; H51-R54 PolarHBondContact NE2-NH2 2.89Å; H51-R54 WeakPolarHBondContact O-CB 3.49Å; H51-R54 PolarHBondContact O-N 3.3Å; V52-R54 PolarHBondContact O-N 2.9Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 PolarHBondContact O-N 3.39Å; R54-K57 WeakPolarHBondContact O-CB 3.33Å; R54-K57 PolarHBondContact O-N 3.45Å; R54-K57 VanDerWaalsContact O-N 3.14Å; R54-E58 WeakPolarHBondContact CG-OE1 3.4Å; R54-E58 PolarHBondContact O-N 3.49Å |
| 55 | L | 92.4 | Very high | 91.2 | Very high | 82 Ų | 82 | 93.6 Ų | 93.6 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 179.5 | -69.6 | 176 | 0 | 0 | 0 | 112.7 | H51 V52 R59 | H51-L55 WeakPolarHBondContact O-CG 3.19Å; H51-L55 PolarHBondContact O-N 3.33Å; V52-L55 PolarHBondContact O-N 3.08Å; V52-L55 VanDerWaalsContact O-N 3.12Å; L55-R59 WeakPolarHBondContact O-CB 3.46Å; L55-R59 PolarHBondContact O-N 3Å |
| 56 | E | 90.5 | Very high | 91.2 | Very high | 103 Ų | 103 | 95.5 Ų | 95.5 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 174.5 | -70.1 | -144.6 | 126 | 0 | 0 | 112.6 | V52 R54 R59 L60 | V52-E56 HydrophobicContact CG1-CG 4.37Å; V52-E56 WeakPolarHBondContact O-CG 3.41Å; V52-E56 PolarHBondContact O-N 2.79Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 PolarHBondContact O-N 3.39Å; E56-R59 PolarHBondContact O-N 2.94Å; E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.41Å |
| 57 | K | 90.6 | Very high | 91.1 | Very high | 147 Ų | 147 | 92 Ų | 92 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62 | -46.8 | 174.2 | -69.7 | 166.6 | -174.4 | 174.8 | 0 | 110.9 | S53 R54 R59 L60 V61 | S53-K57 WeakPolarHBondContact O-CD 3.39Å; S53-K57 VanDerWaalsContact O-CG 3.29Å; S53-K57 WeakPolarHBondContact O-CG 3.46Å; S53-K57 PolarHBondContact O-N 3.2Å; R54-K57 WeakPolarHBondContact O-CB 3.33Å; R54-K57 PolarHBondContact O-N 3.45Å; R54-K57 VanDerWaalsContact O-N 3.14Å; K57-R59 PolarHBondContact O-N 2.91Å; K57-L60 PolarHBondContact O-N 3.04Å; K57-V61 WeakPolarHBondContact O-CG2 3.5Å; K57-V61 PolarHBondContact O-N 3.49Å; K57-V61 VanDerWaalsContact O-N 3.08Å |
| 58 | E | 91 | Very high | 91 | Very high | 95 Ų | 95 | 95.1 Ų | 95.1 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.1 | -71.4 | 174.3 | -159.6 | 0 | 0 | 112.1 | R54 L60 V61 L62 | R54-E58 WeakPolarHBondContact CG-OE1 3.4Å; R54-E58 PolarHBondContact O-N 3.49Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.08Å; E58-V61 PolarHBondContact O-N 3.37Å; E58-V61 VanDerWaalsContact O-N 3.17Å; E58-L62 WeakPolarHBondContact O-CG 3.33Å; E58-L62 PolarHBondContact O-N 3.32Å |
| 59 | R | 92.8 | Very high | 90.9 | Very high | 146 Ų | 146 | 95.1 Ų | 95.1 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.6 | -41.1 | 175.4 | 175 | 176.4 | 167.8 | -88.3 | -0.8 | 112.3 | L55 E56 K57 L62 I63 | L55-R59 WeakPolarHBondContact O-CB 3.46Å; L55-R59 PolarHBondContact O-N 3Å; E56-R59 PolarHBondContact O-N 2.94Å; K57-R59 PolarHBondContact O-N 2.91Å; R59-L62 PolarHBondContact O-N 3.17Å; R59-I63 HydrophobicContact CG-CD1 4.17Å; R59-I63 VanDerWaalsContact O-CG1 3.29Å; R59-I63 WeakPolarHBondContact O-CG1 3.47Å; R59-I63 PolarHBondContact O-N 3.43Å |
| 60 | L | 91 | Very high | 90.7 | Very high | 78 Ų | 78 | 92.8 Ų | 92.8 | 41% | 0.408 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 175.4 | -71.8 | 171 | 0 | 0 | 0 | 112.1 | E56 K57 E58 I63 A64 | E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.41Å; K57-L60 PolarHBondContact O-N 3.04Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.08Å; L60-I63 PolarHBondContact O-N 3.35Å; L60-A64 PolarHBondContact O-N 3.28Å |
| 61 | V | 91.2 | Very high | 90.5 | Very high | 78 Ų | 78 | 94 Ų | 94 | 47% | 0.473 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | K57 E58 A64 K65 | K57-V61 WeakPolarHBondContact O-CG2 3.5Å; K57-V61 PolarHBondContact O-N 3.49Å; K57-V61 VanDerWaalsContact O-N 3.08Å; E58-V61 PolarHBondContact O-N 3.37Å; E58-V61 VanDerWaalsContact O-N 3.17Å; V61-A64 PolarHBondContact O-N 2.93Å; V61-K65 HydrophobicContact CG1-CD 4.28Å; V61-K65 WeakPolarHBondContact O-CG 3.3Å; V61-K65 PolarHBondContact O-N 2.95Å |
| 62 | L | 91.8 | Very high | 90.4 | Very high | 114 Ų | 114 | 93.9 Ų | 93.9 | 60% | 0.597 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.9 | -36.8 | 176.7 | -71.6 | 171.9 | 0 | 0 | 0 | 112.6 | E58 R59 K65 K66 | E58-L62 WeakPolarHBondContact O-CG 3.33Å; E58-L62 PolarHBondContact O-N 3.32Å; R59-L62 PolarHBondContact O-N 3.17Å; L62-K65 PolarHBondContact O-N 2.95Å; L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 3.12Å |
| 63 | I | 90.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 97.1 Ų | 97.1 | 35% | 0.349 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 172.4 | -69.7 | 163 | 0 | 0 | 0 | 110.3 | R59 L60 K65 K66 D67 | R59-I63 HydrophobicContact CG-CD1 4.17Å; R59-I63 VanDerWaalsContact O-CG1 3.29Å; R59-I63 WeakPolarHBondContact O-CG1 3.47Å; R59-I63 PolarHBondContact O-N 3.43Å; L60-I63 PolarHBondContact O-N 3.35Å; I63-K65 PolarHBondContact O-N 3.28Å; I63-K66 WeakPolarHBondContact O-CB 3.49Å; I63-K66 PolarHBondContact O-N 3.46Å; I63-D67 PolarHBondContact O-N 3.33Å |
| 64 | A | 88.8 | Confident | 89.9 | Confident | 58 Ų | 58 | 101.2 Ų | 101.2 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L60 V61 D67 Q68 | L60-A64 PolarHBondContact O-N 3.28Å; V61-A64 PolarHBondContact O-N 2.93Å; A64-D67 PolarHBondContact O-N 2.95Å; A64-Q68 WeakPolarHBondContact O-CB 3.03Å; A64-Q68 PolarHBondContact O-N 3.11Å |
| 65 | K | 92.5 | Very high | 89.6 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.1 | -74.9 | 178.7 | 178.8 | 179.6 | 0 | 112.3 | V61 L62 I63 D67 Q68 I69 | V61-K65 HydrophobicContact CG1-CD 4.28Å; V61-K65 WeakPolarHBondContact O-CG 3.3Å; V61-K65 PolarHBondContact O-N 2.95Å; L62-K65 PolarHBondContact O-N 2.95Å; I63-K65 PolarHBondContact O-N 3.28Å; K65-D67 PolarHBondContact O-N 3.45Å; K65-Q68 PolarHBondContact O-N 2.98Å; K65-I69 WeakPolarHBondContact O-CD1 3.39Å; K65-I69 VanDerWaalsContact O-CG1 3.27Å; K65-I69 WeakPolarHBondContact O-CG1 3.37Å; K65-I69 PolarHBondContact O-N 3.05Å |
| 66 | K | 91.4 | Very high | 89.5 | Confident | 124 Ų | 124 | 102.7 Ų | 102.7 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.6 | 175.4 | -165.8 | 151.7 | -82 | 0 | 111.1 | L62 I63 I69 T70 | L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 3.12Å; I63-K66 WeakPolarHBondContact O-CB 3.49Å; I63-K66 PolarHBondContact O-N 3.46Å; K66-I69 PolarHBondContact O-N 3.38Å; K66-T70 WeakPolarHBondContact O-CB 3.42Å; K66-T70 PolarHBondContact O-N 3.35Å; K66-T70 PolarHBondContact O-OG1 3.15Å |
| 67 | D | 88 | Confident | 89.4 | Confident | 69 Ų | 69 | 98.2 Ų | 98.2 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | -175.7 | -63.8 | -15.4 | 0 | 0 | 0 | 110.7 | I63 A64 K65 T70 D71 | I63-D67 PolarHBondContact O-N 3.33Å; A64-D67 PolarHBondContact O-N 2.95Å; K65-D67 PolarHBondContact O-N 3.45Å; D67-T70 WeakPolarHBondContact O-CB 3.36Å; D67-T70 PolarHBondContact O-N 2.87Å; D67-D71 PolarHBondContact O-N 3Å |
| 68 | Q | 88.5 | Confident | 89.2 | Confident | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61 | -43.1 | 169.4 | -173.1 | -173.7 | 21.8 | 0 | 0 | 113.2 | A64 K65 T70 N72 | A64-Q68 WeakPolarHBondContact O-CB 3.03Å; A64-Q68 PolarHBondContact O-N 3.11Å; K65-Q68 PolarHBondContact O-N 2.98Å; Q68-T70 VanDerWaalsContact C-N 3.29Å; Q68-N72 PolarHBondContact O-N 2.83Å; Q68-N72 PolarHBondContact O-ND2 3.38Å |
| 69 | I | 90 | Very high | 88.9 | Confident | 93 Ų | 93 | 92.6 Ų | 92.6 | 48% | 0.477 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.3 | -71.7 | 164.3 | 0 | 0 | 0 | 110.2 | K65 K66 N72 F73 | K65-I69 WeakPolarHBondContact O-CD1 3.39Å; K65-I69 VanDerWaalsContact O-CG1 3.27Å; K65-I69 WeakPolarHBondContact O-CG1 3.37Å; K65-I69 PolarHBondContact O-N 3.05Å; K66-I69 PolarHBondContact O-N 3.38Å; I69-N72 PolarHBondContact O-N 2.9Å; I69-F73 HydrophobicContact CG2-CD2 3.78Å; I69-F73 HydrophobicContact CG2-CE2 3.63Å; I69-F73 VanDerWaalsContact O-CD2 3.28Å; I69-F73 WeakPolarHBondContact O-CD2 3.42Å; I69-F73 PolarHBondContact O-N 2.89Å |
| 70 | T | 87.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 88.5 Ų | 88.5 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 178.8 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | K66 D67 Q68 N72 F73 F74 | K66-T70 WeakPolarHBondContact O-CB 3.42Å; K66-T70 PolarHBondContact O-N 3.35Å; K66-T70 PolarHBondContact O-OG1 3.15Å; D67-T70 WeakPolarHBondContact O-CB 3.36Å; D67-T70 PolarHBondContact O-N 2.87Å; Q68-T70 VanDerWaalsContact C-N 3.29Å; T70-N72 PolarHBondContact O-N 3.29Å; T70-F73 PolarHBondContact O-N 3.36Å; T70-F74 HydrophobicContact CG2-CD2 4Å; T70-F74 HydrophobicContact CG2-CE2 3.75Å; T70-F74 WeakPolarHBondContact O-CD2 3.46Å; T70-F74 PolarHBondContact O-N 2.92Å |
| 71 | D | 86.3 | Confident | 88.4 | Confident | 85 Ų | 85 | 88 Ų | 88 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.4 | -179.2 | 61.8 | 0 | 0 | 0 | 112.6 | D67 F73 F74 R75 | D67-D71 PolarHBondContact O-N 3Å; D71-F73 VanDerWaalsContact C-N 3.32Å; D71-F73 PolarHBondContact O-N 3.02Å; D71-F74 PolarHBondContact O-N 2.98Å; D71-R75 WeakPolarHBondContact O-CB 3.23Å; D71-R75 VanDerWaalsContact O-CG 3.31Å; D71-R75 WeakPolarHBondContact O-CG 3.44Å; D71-R75 PolarHBondContact O-N 3.36Å; D71-R75 WeakPolarHBondContact OD2-CD 3.39Å |
| 72 | N | 88 | Confident | 88.3 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 174.2 | -75.8 | -35.2 | 0 | 0 | 0 | 112.3 | Q68 I69 T70 R75 L76 | Q68-N72 PolarHBondContact O-N 2.83Å; Q68-N72 PolarHBondContact O-ND2 3.38Å; I69-N72 PolarHBondContact O-N 2.9Å; T70-N72 PolarHBondContact O-N 3.29Å; N72-R75 PolarHBondContact O-N 2.95Å; N72-R75 PolarHBondContact OD1-NH1 3.06Å; N72-L76 WeakPolarHBondContact O-CB 3.43Å; N72-L76 PolarHBondContact O-N 3.24Å |
| 73 | F | 87.7 | Confident | 88.1 | Confident | 144 Ų | 144 | 90.8 Ų | 90.8 | 63% | 0.632 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 173.9 | -83 | -65.3 | 0 | 0 | 0 | 112.7 | I69 T70 D71 L76 G77 | I69-F73 HydrophobicContact CG2-CD2 3.78Å; I69-F73 HydrophobicContact CG2-CE2 3.63Å; I69-F73 VanDerWaalsContact O-CD2 3.28Å; I69-F73 WeakPolarHBondContact O-CD2 3.42Å; I69-F73 PolarHBondContact O-N 2.89Å; T70-F73 PolarHBondContact O-N 3.36Å; D71-F73 VanDerWaalsContact C-N 3.32Å; D71-F73 PolarHBondContact O-N 3.02Å; F73-L76 PolarHBondContact O-N 3.38Å; F73-G77 PolarHBondContact O-N 3.33Å |
| 74 | F | 85 | Confident | 88 | Confident | 132 Ų | 132 | 91.2 Ų | 91.2 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 173.3 | -84.4 | -66.6 | 0 | 0 | 0 | 111.9 | T70 D71 G77 L78 | T70-F74 HydrophobicContact CG2-CD2 4Å; T70-F74 HydrophobicContact CG2-CE2 3.75Å; T70-F74 WeakPolarHBondContact O-CD2 3.46Å; T70-F74 PolarHBondContact O-N 2.92Å; D71-F74 PolarHBondContact O-N 2.98Å; F74-G77 PolarHBondContact O-N 2.95Å; F74-L78 WeakPolarHBondContact O-CG 3.44Å; F74-L78 PolarHBondContact O-N 2.97Å |
| 75 | R | 85.3 | Confident | 87.8 | Confident | 148 Ų | 148 | 94.2 Ų | 94.2 | 56% | 0.558 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.4 | -38.4 | 177.8 | -70.4 | 172.1 | 61.6 | -136 | -5.2 | 112.4 | D71 N72 L78 A79 | D71-R75 WeakPolarHBondContact O-CB 3.23Å; D71-R75 VanDerWaalsContact O-CG 3.31Å; D71-R75 WeakPolarHBondContact O-CG 3.44Å; D71-R75 PolarHBondContact O-N 3.36Å; D71-R75 WeakPolarHBondContact OD2-CD 3.39Å; N72-R75 PolarHBondContact O-N 2.95Å; N72-R75 PolarHBondContact OD1-NH1 3.06Å; R75-L78 PolarHBondContact O-N 3.36Å; R75-A79 PolarHBondContact O-N 3.19Å |
| 76 | L | 90.3 | Very high | 87.7 | Confident | 101 Ų | 101 | 93.5 Ų | 93.5 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 172.8 | -179.2 | 60 | 0 | 0 | 0 | 111.4 | N72 F73 L78 A79 C80 | N72-L76 WeakPolarHBondContact O-CB 3.43Å; N72-L76 PolarHBondContact O-N 3.24Å; F73-L76 PolarHBondContact O-N 3.38Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 2.94Å; L76-A79 WeakPolarHBondContact O-CA 3.4Å; L76-A79 WeakPolarHBondContact O-CB 3.19Å; L76-A79 PolarHBondContact O-N 3.4Å; L76-C80 PolarHBondContact O-N 2.96Å; L76-C80 PolarHBondContact O-SG 3.41Å; L76-C80 VanDerWaalsContact O-SG 3.32Å |
| 77 | G | 89.2 | Confident | 87.7 | Confident | 8 Ų | 8 | 92 Ų | 92 | 8% | 0.082 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.4 | -33 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F73 F74 R81 | F73-G77 PolarHBondContact O-N 3.33Å; F74-G77 PolarHBondContact O-N 2.95Å; G77-R81 PolarHBondContact O-N 2.97Å |
| 78 | L | 86.2 | Confident | 87.5 | Confident | 81 Ų | 81 | 93.5 Ų | 93.5 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70 | -35.5 | 171.2 | -74.3 | 167.6 | 0 | 0 | 0 | 112.9 | F74 R75 L76 R82 | F74-L78 WeakPolarHBondContact O-CG 3.44Å; F74-L78 PolarHBondContact O-N 2.97Å; R75-L78 PolarHBondContact O-N 3.36Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 2.94Å; L78-R82 WeakPolarHBondContact O-CG 3.47Å; L78-R82 PolarHBondContact O-N 3.33Å |
| 79 | A | 85.4 | Confident | 87.4 | Confident | 44 Ų | 44 | 91 Ų | 91 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.3 | -48.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R75 L76 R81 R82 E83 | R75-A79 PolarHBondContact O-N 3.19Å; L76-A79 WeakPolarHBondContact O-CA 3.4Å; L76-A79 WeakPolarHBondContact O-CB 3.19Å; L76-A79 PolarHBondContact O-N 3.4Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 2.92Å; A79-R82 PolarHBondContact O-N 2.91Å; A79-R82 VanDerWaalsContact O-N 3.1Å; A79-E83 PolarHBondContact O-N 3.41Å |
| 80 | C | 87.4 | Confident | 87.1 | Confident | 60 Ų | 60 | 91.7 Ų | 91.7 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 177 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | L76 R82 E83 I84 | L76-C80 PolarHBondContact O-N 2.96Å; L76-C80 PolarHBondContact O-SG 3.41Å; L76-C80 VanDerWaalsContact O-SG 3.32Å; C80-R82 PolarHBondContact O-N 3.28Å; C80-E83 PolarHBondContact O-N 3.48Å; C80-I84 VanDerWaalsContact O-CG1 3.29Å; C80-I84 WeakPolarHBondContact O-CG1 3.36Å; C80-I84 PolarHBondContact O-N 2.87Å |
| 81 | R | 85.3 | Confident | 86.9 | Confident | 66 Ų | 66 | 93.9 Ų | 93.9 | 25% | 0.249 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 174.6 | -84.4 | -173.2 | -77.3 | -91 | -2 | 112.7 | G77 A79 E83 I84 E85 | G77-R81 PolarHBondContact O-N 2.97Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 2.92Å; R81-E83 PolarHBondContact O-N 3.2Å; R81-I84 PolarHBondContact O-N 3.16Å; R81-E85 WeakPolarHBondContact O-CG 3.39Å; R81-E85 PolarHBondContact O-N 3.02Å |
| 82 | R | 87.9 | Confident | 86.6 | Confident | 160 Ų | 160 | 95 Ų | 95 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.1 | -36.9 | 177.7 | -71.4 | 170.2 | 178.3 | 169.2 | 0.3 | 113.1 | L78 A79 C80 K86 | L78-R82 WeakPolarHBondContact O-CG 3.47Å; L78-R82 PolarHBondContact O-N 3.33Å; A79-R82 PolarHBondContact O-N 2.91Å; A79-R82 VanDerWaalsContact O-N 3.1Å; C80-R82 PolarHBondContact O-N 3.28Å; R82-K86 WeakPolarHBondContact O-CG 3.47Å; R82-K86 PolarHBondContact O-N 3.18Å; R82-K86 VanDerWaalsContact O-N 3.1Å |
| 83 | E | 89.3 | Confident | 86.4 | Confident | 92 Ų | 92 | 96.8 Ų | 96.8 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71 | -36.6 | 174 | -56.9 | -46.7 | 131.1 | 0 | 0 | 111.7 | A79 C80 R81 K86 L87 | A79-E83 PolarHBondContact O-N 3.41Å; C80-E83 PolarHBondContact O-N 3.48Å; R81-E83 PolarHBondContact O-N 3.2Å; E83-K86 PolarHBondContact O-N 2.87Å; E83-K86 WeakPolarHBondContact OE1-CE 3.47Å; E83-K86 IonicContact OE1-NZ 2.66Å; E83-K86 PolarHBondContact OE1-NZ 3.09Å; E83-K86 WeakPolarHBondContact OE2-CD 3.27Å; E83-K86 WeakPolarHBondContact OE2-CE 3.45Å; E83-K86 IonicContact OE2-NZ 2.69Å; E83-K86 PolarHBondContact OE2-NZ 2.91Å; E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 2.92Å |
| 84 | I | 88 | Confident | 86.1 | Confident | 77 Ų | 77 | 94.1 Ų | 94.1 | 40% | 0.395 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 172.3 | -68.6 | 163.9 | 0 | 0 | 0 | 111.2 | C80 R81 L87 K88 | C80-I84 VanDerWaalsContact O-CG1 3.29Å; C80-I84 WeakPolarHBondContact O-CG1 3.36Å; C80-I84 PolarHBondContact O-N 2.87Å; R81-I84 PolarHBondContact O-N 3.16Å; I84-L87 PolarHBondContact O-N 3.07Å; I84-K88 HydrophobicContact CG2-CD 4.13Å; I84-K88 HydrophobicContact CG2-CG 4.44Å; I84-K88 WeakPolarHBondContact O-CB 3.49Å; I84-K88 WeakPolarHBondContact O-CG 3.34Å; I84-K88 PolarHBondContact O-N 3.07Å |
| 85 | E | 85.1 | Confident | 85.8 | Confident | 121 Ų | 121 | 89.3 Ų | 89.3 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 174.7 | -74.1 | 164.6 | 178.1 | 0 | 0 | 112.4 | R81 S89 | R81-E85 WeakPolarHBondContact O-CG 3.39Å; R81-E85 PolarHBondContact O-N 3.02Å; E85-S89 PolarHBondContact O-N 3.45Å; E85-S89 PolarHBondContact O-OG 3.25Å |
| 86 | K | 90.4 | Very high | 85.4 | Confident | 101 Ų | 101 | 87.2 Ų | 87.2 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 171.5 | -68.9 | 177.8 | -150.2 | 165.2 | 0 | 111.8 | R82 E83 K88 S89 Q90 | R82-K86 WeakPolarHBondContact O-CG 3.47Å; R82-K86 PolarHBondContact O-N 3.18Å; R82-K86 VanDerWaalsContact O-N 3.1Å; E83-K86 PolarHBondContact O-N 2.87Å; E83-K86 WeakPolarHBondContact OE1-CE 3.47Å; E83-K86 IonicContact OE1-NZ 2.66Å; E83-K86 PolarHBondContact OE1-NZ 3.09Å; E83-K86 WeakPolarHBondContact OE2-CD 3.27Å; E83-K86 WeakPolarHBondContact OE2-CE 3.45Å; E83-K86 IonicContact OE2-NZ 2.69Å; E83-K86 PolarHBondContact OE2-NZ 2.91Å; K86-K88 PolarHBondContact O-N 2.9Å; K86-S89 PolarHBondContact O-N 3.28Å; K86-S89 PolarHBondContact O-OG 3.29Å; K86-Q90 WeakPolarHBondContact O-CB 3.29Å; K86-Q90 WeakPolarHBondContact O-CG 3.33Å; K86-Q90 PolarHBondContact O-N 3.01Å |
| 87 | L | 90.1 | Very high | 85.1 | Confident | 94 Ų | 94 | 89.7 Ų | 89.7 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 178.4 | -72.2 | 167.4 | 0 | 0 | 0 | 111.1 | E83 I84 S89 Q90 I91 | E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 2.92Å; I84-L87 PolarHBondContact O-N 3.07Å; L87-S89 PolarHBondContact O-N 3.47Å; L87-Q90 PolarHBondContact O-N 3.16Å; L87-I91 WeakPolarHBondContact O-CB 3.39Å; L87-I91 WeakPolarHBondContact O-CD1 3.42Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.29Å; L87-I91 PolarHBondContact O-N 2.97Å |
| 88 | K | 84.8 | Confident | 84.8 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.4 | -75.4 | 178.7 | 178.9 | -177.7 | 0 | 112.6 | I84 K86 I91 K92 D135 | I84-K88 HydrophobicContact CG2-CD 4.13Å; I84-K88 HydrophobicContact CG2-CG 4.44Å; I84-K88 WeakPolarHBondContact O-CB 3.49Å; I84-K88 WeakPolarHBondContact O-CG 3.34Å; I84-K88 PolarHBondContact O-N 3.07Å; K86-K88 PolarHBondContact O-N 2.9Å; K88-I91 PolarHBondContact O-N 3.29Å; K88-K92 WeakPolarHBondContact O-CB 3.38Å; K88-K92 PolarHBondContact O-N 3.48Å; K88-D135 WeakPolarHBondContact CE-OD1 3.49Å; K88-D135 IonicContact NZ-OD1 2.9Å; K88-D135 PolarHBondContact NZ-OD1 3.08Å |
| 89 | S | 84.9 | Confident | 84.2 | Confident | 74 Ų | 74 | 103.9 Ų | 103.9 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.3 | -35.1 | 177 | 62.6 | 0 | 0 | 0 | 0 | 113 | E85 K86 L87 L93 | E85-S89 PolarHBondContact O-N 3.45Å; E85-S89 PolarHBondContact O-OG 3.25Å; K86-S89 PolarHBondContact O-N 3.28Å; K86-S89 PolarHBondContact O-OG 3.29Å; L87-S89 PolarHBondContact O-N 3.47Å; S89-L93 WeakPolarHBondContact O-CB 3.45Å; S89-L93 PolarHBondContact O-N 3.05Å |
| 90 | Q | 85.2 | Confident | 83.2 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 170.6 | -73.2 | 175.2 | -4.8 | 0 | 0 | 112 | K86 L87 L93 L94 | K86-Q90 WeakPolarHBondContact O-CB 3.29Å; K86-Q90 WeakPolarHBondContact O-CG 3.33Å; K86-Q90 PolarHBondContact O-N 3.01Å; L87-Q90 PolarHBondContact O-N 3.16Å; Q90-L93 PolarHBondContact O-N 3.49Å; Q90-L94 VanDerWaalsContact O-CG 3.31Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 2.84Å |
| 91 | I | 83.2 | Confident | 81.8 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 175.7 | -69.9 | 163.6 | 0 | 0 | 0 | 110.3 | L87 K88 L93 L94 C95 | L87-I91 WeakPolarHBondContact O-CB 3.39Å; L87-I91 WeakPolarHBondContact O-CD1 3.42Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.29Å; L87-I91 PolarHBondContact O-N 2.97Å; K88-I91 PolarHBondContact O-N 3.29Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.28Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.16Å; I91-L94 VanDerWaalsContact O-N 3.12Å; I91-C95 PolarHBondContact O-N 3Å; I91-C95 PolarHBondContact O-SG 3.41Å; I91-C95 VanDerWaalsContact O-SG 3.35Å |
| 92 | K | 80.4 | Confident | 80.4 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 176.7 | -173.3 | 168.9 | 177.2 | 117.2 | 0 | 112 | K88 L94 C95 T96 E102 | K88-K92 WeakPolarHBondContact O-CB 3.38Å; K88-K92 PolarHBondContact O-N 3.48Å; K92-L94 VanDerWaalsContact C-N 3.35Å; K92-L94 PolarHBondContact O-N 3.39Å; K92-C95 PolarHBondContact O-N 2.89Å; K92-T96 PolarHBondContact O-N 3.46Å; K92-T96 PolarHBondContact O-OG1 3.42Å; K92-T96 VanDerWaalsContact O-OG1 3.06Å; K92-E102 WeakPolarHBondContact CE-OE1 3.31Å; K92-E102 IonicContact NZ-OE1 2.69Å; K92-E102 PolarHBondContact NZ-OE1 2.99Å; K92-E102 IonicContact NZ-OE2 3.11Å; K92-E102 PolarHBondContact NZ-OE2 3.45Å |
| 93 | L | 83.1 | Confident | 78.6 | Confident | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 174.6 | -179.3 | 62.5 | 0 | 0 | 0 | 112.4 | S89 Q90 I91 K97 | S89-L93 WeakPolarHBondContact O-CB 3.45Å; S89-L93 PolarHBondContact O-N 3.05Å; Q90-L93 PolarHBondContact O-N 3.49Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.28Å; L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 PolarHBondContact O-N 2.84Å |
| 94 | L | 81.4 | Confident | 76.5 | Confident | 89 Ų | 89 | 113 Ų | 113 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.2 | -46.1 | 175.2 | -70.2 | 165.8 | 0 | 0 | 0 | 111.5 | Q90 I91 K92 T96 K97 Y98 | Q90-L94 VanDerWaalsContact O-CG 3.31Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 2.84Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.16Å; I91-L94 VanDerWaalsContact O-N 3.12Å; K92-L94 VanDerWaalsContact C-N 3.35Å; K92-L94 PolarHBondContact O-N 3.39Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 2.86Å; L94-K97 PolarHBondContact O-N 3.25Å; L94-K97 VanDerWaalsContact O-N 3.13Å; L94-Y98 HydrophobicContact CD2-CE2 4.02Å; L94-Y98 VanDerWaalsContact O-CD2 3.27Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 2.97Å |
| 95 | C | 78 | Confident | 74.4 | Confident | 31 Ų | 31 | 114 Ų | 114 | 21% | 0.209 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -55.8 | -47.5 | 175.6 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | I91 K92 K97 Y98 R99 V100 | I91-C95 PolarHBondContact O-N 3Å; I91-C95 PolarHBondContact O-SG 3.41Å; I91-C95 VanDerWaalsContact O-SG 3.35Å; K92-C95 PolarHBondContact O-N 2.89Å; C95-K97 PolarHBondContact O-N 3.4Å; C95-Y98 PolarHBondContact O-N 2.69Å; C95-R99 PolarHBondContact O-N 3.01Å; C95-V100 HydrophobicContact CB-CB 4.28Å; C95-V100 PolarHBondContact O-N 2.8Å |
| 96 | T | 78.4 | Confident | 72.1 | Confident | 103 Ų | 103 | 114.6 Ų | 114.6 | 63% | 0.632 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.7 | -45.6 | 174.4 | -56.4 | 0 | 0 | 0 | 0 | 112 | K92 L94 Y98 R99 | K92-T96 PolarHBondContact O-N 3.46Å; K92-T96 PolarHBondContact O-OG1 3.42Å; K92-T96 VanDerWaalsContact O-OG1 3.06Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 2.86Å; T96-Y98 PolarHBondContact O-N 3.17Å; T96-R99 PolarHBondContact O-N 3.21Å |
| 97 | K | 83.8 | Confident | 69.6 | Low | 153 Ų | 153 | 114 Ų | 114 | 67% | 0.665 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.3 | -40.7 | 179.6 | -175.7 | -175.4 | 177.3 | -171.1 | 0 | 112.7 | L93 L94 C95 | L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 PolarHBondContact O-N 2.84Å; L94-K97 PolarHBondContact O-N 3.25Å; L94-K97 VanDerWaalsContact O-N 3.13Å; C95-K97 PolarHBondContact O-N 3.4Å |
| 98 | Y | 83.1 | Confident | 67.3 | Low | 157 Ų | 157 | 116.3 Ų | 116.3 | 62% | 0.616 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 5 | -179.1 | -71.2 | -73.8 | 0 | 0 | 0 | 113.8 | L94 C95 T96 V100 | L94-Y98 HydrophobicContact CD2-CE2 4.02Å; L94-Y98 VanDerWaalsContact O-CD2 3.27Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 2.97Å; C95-Y98 PolarHBondContact O-N 2.69Å; T96-Y98 PolarHBondContact O-N 3.17Å; Y98-V100 PolarHBondContact O-N 2.94Å; Y98-V100 VanDerWaalsContact O-N 3.14Å |
| 99 | R | 73.6 | Confident | 65.2 | Low | 230 Ų | 230 | 120.2 Ų | 120.2 | 87% | 0.868 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.5 | 27.5 | -173.9 | -58 | -177.9 | 176.6 | -177.1 | -1.5 | 113.7 | C95 T96 P101 | C95-R99 PolarHBondContact O-N 3.01Å; T96-R99 PolarHBondContact O-N 3.21Å; R99-P101 WeakPolarHBondContact O-CD 3.44Å |
| 100 | V | 64.8 | Low | 62.8 | Low | 78 Ų | 78 | 124.1 Ų | 124.1 | 47% | 0.473 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 124.2 | 173.4 | 178.6 | 0 | 0 | 0 | 0 | 107.1 | C95 Y98 E102 | C95-V100 HydrophobicContact CB-CB 4.28Å; C95-V100 PolarHBondContact O-N 2.8Å; Y98-V100 PolarHBondContact O-N 2.94Å; Y98-V100 VanDerWaalsContact O-N 3.14Å; V100-E102 PolarHBondContact O-N 3.48Å |
| 101 | P | 57.8 | Low | 60.5 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 127.7 | 177.2 | -25.6 | 34.7 | 0 | 0 | 0 | 110.2 | R99 | R99-P101 WeakPolarHBondContact O-CD 3.44Š|
| 102 | E | 54.1 | Low | 58.4 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.6 | 174.8 | -176.8 | 153 | -123.8 | 0 | 0 | 108.1 | K92 V100 K104 | K92-E102 WeakPolarHBondContact CE-OE1 3.31Å; K92-E102 IonicContact NZ-OE1 2.69Å; K92-E102 PolarHBondContact NZ-OE1 2.99Å; K92-E102 IonicContact NZ-OE2 3.11Å; K92-E102 PolarHBondContact NZ-OE2 3.45Å; V100-E102 PolarHBondContact O-N 3.48Å; E102-K104 PolarHBondContact O-N 3.36Å |
| 103 | P | 51 | Low | 56.5 | Low | 107 Ų | 107 | 126.2 Ų | 126.2 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 116.1 | -171.7 | 21.3 | -33.3 | 0 | 0 | 0 | 109.4 | A105 | P103-A105 PolarHBondContact O-N 2.92Š|
| 104 | K | 46.4 | Very low | 54.7 | Low | 196 Ų | 196 | 124.6 Ų | 124.6 | 85% | 0.852 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 117.6 | -178.4 | -69.2 | -177.8 | 179.3 | 179.6 | 0 | 108.7 | E102 V106 | E102-K104 PolarHBondContact O-N 3.36Å; K104-V106 PolarHBondContact O-N 2.97Å |
| 105 | A | 43.9 | Very low | 53.1 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | | | trans | -53.8 | 110 | -172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P103 S107 | P103-A105 PolarHBondContact O-N 2.92Å; A105-S107 PolarHBondContact O-N 3.43Å |
| 106 | V | 36.3 | Very low | 51.9 | Low | 133 Ų | 133 | 127.7 Ų | 127.7 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | | | trans | -61.4 | 112.8 | -177.6 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | K104 Q108 | K104-V106 PolarHBondContact O-N 2.97Å; V106-Q108 PolarHBondContact O-N 2.76Å; V106-Q108 VanDerWaalsContact O-N 3.12Å |
| 107 | S | 37.8 | Very low | 50.6 | Low | 89 Ų | 89 | 125.1 Ų | 125.1 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | | | trans | -56.6 | 121.2 | -173.5 | 60.6 | 0 | 0 | 0 | 0 | 109.7 | A105 K109 | A105-S107 PolarHBondContact O-N 3.43Å; S107-K109 PolarHBondContact O-N 2.89Å |
| 108 | Q | 41.5 | Very low | 49.1 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | | | trans | -69.6 | 21.6 | -165.5 | -64.1 | -176.7 | -15.9 | 0 | 0 | 115.5 | V106 N110 L111 | V106-Q108 PolarHBondContact O-N 2.76Å; V106-Q108 VanDerWaalsContact O-N 3.12Å; Q108-N110 PolarHBondContact O-N 3.47Å; Q108-L111 PolarHBondContact O-N 3.35Å |
| 109 | K | 39.8 | Very low | 47.7 | Very low | 181 Ų | 181 | 117.1 Ų | 117.1 | 79% | 0.787 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -7.6 | -172.7 | -74.4 | -173.3 | 170.6 | -177.8 | 0 | 115.7 | S107 | S107-K109 PolarHBondContact O-N 2.89Š|
| 110 | N | 34.9 | Very low | 46.7 | Very low | 156 Ų | 156 | 114.1 Ų | 114.1 | 83% | 0.834 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 14.5 | -175.6 | -74.4 | -19.9 | 0 | 0 | 0 | 114.7 | Q108 | Q108-N110 PolarHBondContact O-N 3.47Š|
| 111 | L | 38.2 | Very low | 46.3 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 53% | 0.534 | 63% | 0.634 | S | S | . | * | | | trans | -102.8 | 64.3 | -178.5 | -71.8 | 173.7 | 0 | 0 | 0 | 113 | Q108 C113 | Q108-L111 PolarHBondContact O-N 3.35Å; L111-C113 PolarHBondContact O-N 3.23Å; L111-C113 VanDerWaalsContact O-N 3.08Å |
| 112 | N | 39.1 | Very low | 46 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 83% | 0.834 | 63% | 0.632 | S | S | * | * | | | trans | -74.6 | 18.3 | 173.8 | -80.5 | 5.3 | 0 | 0 | 0 | 114.2 | D114 | N112-D114 PolarHBondContact O-N 2.86Å; N112-D114 VanDerWaalsContact O-N 3.12Å |
| 113 | C | 40.2 | Very low | 46 | Very low | 103 Ų | 103 | 115 Ų | 115 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | | | trans | -86.4 | 66.8 | 171.8 | -65.3 | 0 | 0 | 0 | 0 | 109.9 | L111 T115 | L111-C113 PolarHBondContact O-N 3.23Å; L111-C113 VanDerWaalsContact O-N 3.08Å; C113-T115 PolarHBondContact O-N 2.75Å |
| 114 | D | 44.3 | Very low | 46.4 | Very low | 80 Ų | 80 | 114.7 Ų | 114.7 | 43% | 0.428 | 60% | 0.601 | S | S | . | * | | | trans | -78.2 | 70.5 | -180 | -120.6 | 53.7 | 0 | 0 | 0 | 110.5 | N112 Q116 R136 | N112-D114 PolarHBondContact O-N 2.86Å; N112-D114 VanDerWaalsContact O-N 3.12Å; D114-Q116 HydrophobicContact CB-CG 4.47Å; D114-Q116 PolarHBondContact O-N 2.91Å; D114-Q116 PolarHBondContact OD2-NE2 2.62Å; D114-R136 IonicContact OD1-CZ 2.68Å; D114-R136 IonicContact OD1-NH1 2.65Å; D114-R136 PolarHBondContact OD1-NH1 3.11Å; D114-R136 IonicContact OD1-NH2 2.64Å |
| 115 | T | 48.9 | Very low | 46.7 | Very low | 49 Ų | 49 | 114 Ų | 114 | 30% | 0.301 | 60% | 0.595 | S | S | . | * | | | trans | -72.3 | 65 | 175.5 | -44.9 | 0 | 0 | 0 | 0 | 110.5 | C113 I117 D127 A130 | C113-T115 PolarHBondContact O-N 2.75Å; T115-I117 PolarHBondContact O-N 3.02Å; T115-D127 HydrophobicContact CG2-CB 4Å; T115-D127 WeakPolarHBondContact CG2-O 3.41Å; T115-A130 HydrophobicContact CG2-CB 4.16Å |
| 116 | Q | 51.2 | Low | 47.5 | Very low | 135 Ų | 135 | 114.2 Ų | 114.2 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | | | trans | -70.1 | 99.2 | 177.7 | -63.1 | -175.5 | 11.2 | 0 | 0 | 109.5 | D114 N118 | D114-Q116 HydrophobicContact CB-CG 4.47Å; D114-Q116 PolarHBondContact O-N 2.91Å; D114-Q116 PolarHBondContact OD2-NE2 2.62Å; Q116-N118 PolarHBondContact O-N 2.64Å |
| 117 | I | 53 | Low | 48.5 | Very low | 50 Ų | 50 | 110.2 Ų | 110.2 | 26% | 0.256 | 56% | 0.56 | S | S | . | * | | | trans | -61.2 | 105.5 | 163.8 | -66.6 | -176.4 | 0 | 0 | 0 | 107.4 | T115 N123 L128 Y131 | T115-I117 PolarHBondContact O-N 3.02Å; I117-N123 WeakPolarHBondContact CA-OD1 3.42Å; I117-L128 HydrophobicContact CD1-CD2 3.67Å; I117-L128 HydrophobicContact CG1-CD2 4.33Å; I117-Y131 HydrophobicContact CD1-CD1 3.28Å; I117-Y131 HydrophobicContact CD1-CD2 3.9Å; I117-Y131 HydrophobicContact CD1-CE1 3.86Å; I117-Y131 HydrophobicContact CD1-CE2 4.41Å; I117-Y131 HydrophobicContact CD1-CG 3.3Å; I117-Y131 HydrophobicContact CG1-CD1 4.3Å; I117-Y131 HydrophobicContact CG1-CD2 4.03Å; I117-Y131 HydrophobicContact CG1-CG 3.84Å |
| 118 | N | 51.1 | Low | 49.7 | Very low | 41 Ų | 41 | 109.3 Ų | 109.3 | 22% | 0.219 | 55% | 0.548 | C | S | . | . | | | trans | -88.7 | 117 | 170.8 | 179.5 | -53.3 | 0 | 0 | 0 | 107.6 | Q116 E120 K121 N123 | Q116-N118 PolarHBondContact O-N 2.64Å; N118-E120 PolarHBondContact O-N 3.43Å; N118-E120 VanDerWaalsContact O-N 3.16Å; N118-E120 WeakPolarHBondContact OD1-CA 3.45Å; N118-E120 WeakPolarHBondContact OD1-CB 3.4Å; N118-E120 PolarHBondContact OD1-N 3.02Å; N118-K121 HydrophobicContact CB-CB 4.18Å; N118-K121 HydrophobicContact CB-CD 4.07Å; N118-K121 HydrophobicContact CB-CG 4.18Å; N118-K121 PolarHBondContact O-N 3.29Å; N118-K121 VanDerWaalsContact O-N 3.15Å; N118-K121 PolarHBondContact OD1-N 3.29Å; N118-N123 PolarHBondContact N-OD1 3.21Å; N118-N123 VanDerWaalsContact N-OD1 3.1Å; N118-N123 PolarHBondContact O-ND2 2.96Å; N118-N123 PolarHBondContact O-OD1 3.06Å |
| 119 | P | 53.1 | Low | 50.7 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.8 | -173.3 | 27.4 | -34.8 | 0 | 0 | 0 | 113.8 | I141 | P119-I141 HydrophobicContact CG-CD1 4.11Š|
| 120 | E | 54.4 | Low | 51.8 | Low | 167 Ų | 167 | 98.2 Ų | 98.2 | 78% | 0.78 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -12.1 | 179.8 | -51.6 | -178.2 | 144.4 | 0 | 0 | 112.5 | N118 | N118-E120 PolarHBondContact O-N 3.43Å; N118-E120 VanDerWaalsContact O-N 3.16Å; N118-E120 WeakPolarHBondContact OD1-CA 3.45Å; N118-E120 WeakPolarHBondContact OD1-CB 3.4Å; N118-E120 PolarHBondContact OD1-N 3.02Å |
| 121 | K | 55.4 | Low | 53.1 | Low | 142 Ų | 142 | 92.5 Ų | 92.5 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -104.9 | 153.5 | -179.7 | -63 | -179.9 | -173.8 | 177.3 | 0 | 111.1 | N118 N123 | N118-K121 HydrophobicContact CB-CB 4.18Å; N118-K121 HydrophobicContact CB-CD 4.07Å; N118-K121 HydrophobicContact CB-CG 4.18Å; N118-K121 PolarHBondContact O-N 3.29Å; N118-K121 VanDerWaalsContact O-N 3.15Å; N118-K121 PolarHBondContact OD1-N 3.29Å; K121-N123 VanDerWaalsContact C-N 3.32Å; K121-N123 PolarHBondContact O-N 2.89Å; K121-N123 PolarHBondContact O-ND2 2.89Å |
| 122 | Q | 51.5 | Low | 54.3 | Low | 144 Ų | 144 | 92.7 Ų | 92.7 | 67% | 0.673 | 48% | 0.477 | S | S | * | . | | | trans | -75 | 86.4 | 171.4 | -73.5 | -177.5 | 0.4 | 0 | 0 | 109.8 | | |
| 123 | N | 55.2 | Low | 55.5 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 23% | 0.225 | 47% | 0.473 | C | S | . | . | | | trans | -62 | 135.8 | 171.4 | -50.9 | -77.1 | 0 | 0 | 0 | 109.7 | I117 N118 K121 D127 L128 | I117-N123 WeakPolarHBondContact CA-OD1 3.42Å; N118-N123 PolarHBondContact N-OD1 3.21Å; N118-N123 VanDerWaalsContact N-OD1 3.1Å; N118-N123 PolarHBondContact O-ND2 2.96Å; N118-N123 PolarHBondContact O-OD1 3.06Å; K121-N123 VanDerWaalsContact C-N 3.32Å; K121-N123 PolarHBondContact O-N 2.89Å; K121-N123 PolarHBondContact O-ND2 2.89Å; N123-D127 HydrophobicContact CB-CB 4.49Å; N123-L128 HydrophobicContact CB-CD2 4.11Å; N123-L128 HydrophobicContact CB-CG 4.47Å |
| 124 | Y | 57.6 | Low | 56.6 | Low | 101 Ų | 101 | 90 Ų | 90 | 40% | 0.396 | 45% | 0.454 | S | S | . | . | | | trans | -75.1 | 157.8 | 178.1 | -60.3 | -67.3 | 0 | 0 | 0 | 111.1 | T126 D127 L128 H444 R448 | Y124-T126 PolarHBondContact O-N 2.94Å; Y124-D127 WeakPolarHBondContact CB-OD2 3.44Å; Y124-D127 WeakPolarHBondContact CD2-OD2 3.5Å; Y124-D127 PolarHBondContact N-OD2 3.13Å; Y124-D127 WeakPolarHBondContact O-CB 3.49Å; Y124-D127 PolarHBondContact O-N 3.44Å; Y124-L128 WeakPolarHBondContact O-CG 3.49Å; Y124-L128 PolarHBondContact O-N 3.23Å; Y124-H444 AromaticContact CD1-NE2 3.97Å; Y124-H444 AromaticContact CE1-NE2 3.77Å; Y124-R448 VanDerWaalsContact CZ-NH2 3.33Å; Y124-R448 PolarHBondContact OH-NH2 2.95Å; Y124-R448 VanDerWaalsContact OH-NH2 3.12Å |
| 125 | Y | 52.6 | Low | 57.2 | Low | 182 Ų | 182 | 92.5 Ų | 92.5 | 71% | 0.714 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55.3 | -37.1 | 175.3 | -179.1 | -100.4 | 0 | 0 | 0 | 112.1 | D127 L128 V129 | Y125-D127 VanDerWaalsContact C-N 3.33Å; Y125-D127 PolarHBondContact O-N 2.99Å; Y125-L128 PolarHBondContact O-N 3.01Å; Y125-V129 HydrophobicContact CD1-CG2 4.08Å; Y125-V129 HydrophobicContact CE1-CG2 3.64Å; Y125-V129 HydrophobicContact CE2-CG2 4.12Å; Y125-V129 HydrophobicContact CG-CG2 4.5Å; Y125-V129 WeakPolarHBondContact O-CB 3.27Å; Y125-V129 WeakPolarHBondContact O-CG2 3.44Å; Y125-V129 PolarHBondContact O-N 3.27Å |
| 126 | T | 60.8 | Low | 57.5 | Low | 103 Ų | 103 | 95 Ų | 95 | 63% | 0.632 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.2 | -42.5 | 173.5 | -17.4 | 0 | 0 | 0 | 0 | 112.4 | Y124 V129 A130 | Y124-T126 PolarHBondContact O-N 2.94Å; T126-V129 PolarHBondContact O-N 3.46Å; T126-A130 VanDerWaalsContact O-CB 3.23Å; T126-A130 WeakPolarHBondContact O-CB 3.42Å; T126-A130 PolarHBondContact O-N 2.99Å |
| 127 | D | 58.5 | Low | 57.4 | Low | 49 Ų | 49 | 93.2 Ų | 93.2 | 26% | 0.262 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.1 | -41.2 | -178.8 | -43.3 | -24.2 | 0 | 0 | 0 | 110.3 | T115 N123 Y124 Y125 A130 Y131 | T115-D127 HydrophobicContact CG2-CB 4Å; T115-D127 WeakPolarHBondContact CG2-O 3.41Å; N123-D127 HydrophobicContact CB-CB 4.49Å; Y124-D127 WeakPolarHBondContact CB-OD2 3.44Å; Y124-D127 WeakPolarHBondContact CD2-OD2 3.5Å; Y124-D127 PolarHBondContact N-OD2 3.13Å; Y124-D127 WeakPolarHBondContact O-CB 3.49Å; Y124-D127 PolarHBondContact O-N 3.44Å; Y125-D127 VanDerWaalsContact C-N 3.33Å; Y125-D127 PolarHBondContact O-N 2.99Å; D127-A130 PolarHBondContact O-N 3.35Å; D127-Y131 WeakPolarHBondContact O-CB 3.37Å; D127-Y131 PolarHBondContact O-N 3.04Å |
| 128 | L | 61.9 | Low | 57.2 | Low | 71 Ų | 71 | 94.5 Ų | 94.5 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.2 | -62.1 | 178.6 | 0 | 0 | 0 | 111.8 | I117 N123 Y124 Y125 L132 | I117-L128 HydrophobicContact CD1-CD2 3.67Å; I117-L128 HydrophobicContact CG1-CD2 4.33Å; N123-L128 HydrophobicContact CB-CD2 4.11Å; N123-L128 HydrophobicContact CB-CG 4.47Å; Y124-L128 WeakPolarHBondContact O-CG 3.49Å; Y124-L128 PolarHBondContact O-N 3.23Å; Y125-L128 PolarHBondContact O-N 3.01Å; L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.09Å |
| 129 | V | 63.9 | Low | 57.1 | Low | 46 Ų | 46 | 98.7 Ų | 98.7 | 28% | 0.279 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.4 | -47.3 | 176.6 | 168.6 | 0 | 0 | 0 | 0 | 111 | Y125 T126 Y131 L132 H133 | Y125-V129 HydrophobicContact CD1-CG2 4.08Å; Y125-V129 HydrophobicContact CE1-CG2 3.64Å; Y125-V129 HydrophobicContact CE2-CG2 4.12Å; Y125-V129 HydrophobicContact CG-CG2 4.5Å; Y125-V129 WeakPolarHBondContact O-CB 3.27Å; Y125-V129 WeakPolarHBondContact O-CG2 3.44Å; Y125-V129 PolarHBondContact O-N 3.27Å; T126-V129 PolarHBondContact O-N 3.46Å; V129-Y131 VanDerWaalsContact C-N 3.28Å; V129-Y131 PolarHBondContact O-N 3.26Å; V129-L132 PolarHBondContact O-N 3.39Å; V129-L132 VanDerWaalsContact O-N 3.13Å; V129-H133 PolarHBondContact O-CD2 2.99Å; V129-H133 PolarHBondContact O-N 3.28Å |
| 130 | A | 61.6 | Low | 56.3 | Low | 44 Ų | 44 | 98.8 Ų | 98.8 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T115 T126 D127 H133 S134 | T115-A130 HydrophobicContact CG2-CB 4.16Å; T126-A130 VanDerWaalsContact O-CB 3.23Å; T126-A130 WeakPolarHBondContact O-CB 3.42Å; T126-A130 PolarHBondContact O-N 2.99Å; D127-A130 PolarHBondContact O-N 3.35Å; A130-H133 CarbonylContact O-C 3.57Å; A130-H133 PolarHBondContact O-N 3.22Å; A130-S134 PolarHBondContact O-N 3.12Å; A130-S134 VanDerWaalsContact O-N 3.1Å |
| 131 | Y | 62.7 | Low | 55.7 | Low | 36 Ų | 36 | 96.1 Ų | 96.1 | 14% | 0.141 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 172.8 | 176.3 | -93.7 | 0 | 0 | 0 | 112.9 | I117 D127 V129 H133 S134 P138 | I117-Y131 HydrophobicContact CD1-CD1 3.28Å; I117-Y131 HydrophobicContact CD1-CD2 3.9Å; I117-Y131 HydrophobicContact CD1-CE1 3.86Å; I117-Y131 HydrophobicContact CD1-CE2 4.41Å; I117-Y131 HydrophobicContact CD1-CG 3.3Å; I117-Y131 HydrophobicContact CG1-CD1 4.3Å; I117-Y131 HydrophobicContact CG1-CD2 4.03Å; I117-Y131 HydrophobicContact CG1-CG 3.84Å; D127-Y131 WeakPolarHBondContact O-CB 3.37Å; D127-Y131 PolarHBondContact O-N 3.04Å; V129-Y131 VanDerWaalsContact C-N 3.28Å; V129-Y131 PolarHBondContact O-N 3.26Å; Y131-H133 PolarHBondContact O-N 2.88Å; Y131-S134 WeakPolarHBondContact O-CB 3.42Å; Y131-S134 PolarHBondContact O-N 2.91Å; Y131-S134 PolarHBondContact O-OG 3.5Å; Y131-P138 WeakPolarHBondContact OH-CA 3.36Å; Y131-P138 WeakPolarHBondContact OH-CB 3.42Å |
| 132 | L | 63.6 | Low | 54.8 | Low | 106 Ų | 106 | 97.7 Ų | 97.7 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -27.7 | 174.1 | -77.5 | 167.3 | 0 | 0 | 0 | 113 | L128 V129 | L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.09Å; V129-L132 PolarHBondContact O-N 3.39Å; V129-L132 VanDerWaalsContact O-N 3.13Å |
| 133 | H | 63.7 | Low | 54.1 | Low | 160 Ų | 160 | 95.4 Ų | 95.4 | 74% | 0.741 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.6 | 169.6 | -68.4 | -65 | 0 | 0 | 0 | 113.9 | V129 A130 Y131 | V129-H133 PolarHBondContact O-CD2 2.99Å; V129-H133 PolarHBondContact O-N 3.28Å; A130-H133 CarbonylContact O-C 3.57Å; A130-H133 PolarHBondContact O-N 3.22Å; Y131-H133 PolarHBondContact O-N 2.88Å |
| 134 | S | 63.4 | Low | 53 | Low | 43 Ų | 43 | 96.1 Ų | 96.1 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | | | trans | -90.6 | 135.8 | 177.5 | 82.9 | 0 | 0 | 0 | 0 | 111.3 | A130 Y131 R136 | A130-S134 PolarHBondContact O-N 3.12Å; A130-S134 VanDerWaalsContact O-N 3.1Å; Y131-S134 WeakPolarHBondContact O-CB 3.42Å; Y131-S134 PolarHBondContact O-N 2.91Å; Y131-S134 PolarHBondContact O-OG 3.5Å; S134-R136 PolarHBondContact O-N 3.14Å; S134-R136 VanDerWaalsContact O-N 3.16Å |
| 135 | D | 56.6 | Low | 51.7 | Low | 131 Ų | 131 | 98.8 Ų | 98.8 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | | | trans | -74.6 | 4.8 | 177.7 | -91.8 | -44.1 | 0 | 0 | 0 | 114.3 | K88 | K88-D135 WeakPolarHBondContact CE-OD1 3.49Å; K88-D135 IonicContact NZ-OD1 2.9Å; K88-D135 PolarHBondContact NZ-OD1 3.08Å |
| 136 | R | 55 | Low | 50.8 | Low | 101 Ų | 101 | 97.9 Ų | 97.9 | 38% | 0.381 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 138.6 | -174.6 | -72.7 | -175.6 | 175.3 | 175.7 | 0.9 | 112 | D114 S134 | D114-R136 IonicContact OD1-CZ 2.68Å; D114-R136 IonicContact OD1-NH1 2.65Å; D114-R136 PolarHBondContact OD1-NH1 3.11Å; D114-R136 IonicContact OD1-NH2 2.64Å; S134-R136 PolarHBondContact O-N 3.14Å; S134-R136 VanDerWaalsContact O-N 3.16Å |
| 137 | P | 49.8 | Very low | 49.5 | Very low | 98 Ų | 98 | 99 Ų | 99 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 158.2 | 166.8 | 31.3 | -35 | 0 | 0 | 0 | 110.8 | I139 | P137-I139 PolarHBondContact O-N 3.46Š|
| 138 | P | 47.9 | Very low | 48.5 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 51% | 0.506 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 121.3 | 170.3 | 24.1 | -31.7 | 0 | 0 | 0 | 110 | Y131 N140 | Y131-P138 WeakPolarHBondContact OH-CA 3.36Å; Y131-P138 WeakPolarHBondContact OH-CB 3.42Å; P138-N140 PolarHBondContact O-N 3.33Å; P138-N140 VanDerWaalsContact O-N 3.14Å |
| 139 | I | 49.2 | Very low | 47 | Very low | 128 Ų | 128 | 106 Ų | 106 | 66% | 0.656 | 59% | 0.589 | S | S | * | * | | | trans | -65.7 | 113.7 | 168.5 | -62.1 | 174.1 | 0 | 0 | 0 | 107 | P137 I141 | P137-I139 PolarHBondContact O-N 3.46Å; I139-I141 PolarHBondContact O-N 3.4Å |
| 140 | N | 37.3 | Very low | 45.7 | Very low | 102 Ų | 102 | 115 Ų | 115 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | | | trans | -73.8 | 100.3 | 178.4 | -176.2 | 15.4 | 0 | 0 | 0 | 109.4 | P138 Y142 S143 | P138-N140 PolarHBondContact O-N 3.33Å; P138-N140 VanDerWaalsContact O-N 3.14Å; N140-Y142 PolarHBondContact O-N 2.87Å; N140-Y142 PolarHBondContact OD1-N 3Å; N140-S143 WeakPolarHBondContact O-CB 3.34Å; N140-S143 PolarHBondContact O-N 3.01Å |
| 141 | I | 42.1 | Very low | 44.2 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 57% | 0.569 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -14.8 | -177.1 | -37.1 | -177.8 | 0 | 0 | 0 | 112 | P119 I139 S143 | P119-I141 HydrophobicContact CG-CD1 4.11Å; I139-I141 PolarHBondContact O-N 3.4Å; I141-S143 VanDerWaalsContact C-N 3.31Å |
| 142 | Y | 36.8 | Very low | 42.7 | Very low | 176 Ų | 176 | 122.4 Ų | 122.4 | 69% | 0.69 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -3.7 | 171.2 | -68.5 | -70.7 | 0 | 0 | 0 | 114.7 | N140 G144 | N140-Y142 PolarHBondContact O-N 2.87Å; N140-Y142 PolarHBondContact OD1-N 3Å; Y142-G144 PolarHBondContact O-N 3.19Å |
| 143 | S | 36.1 | Very low | 41.2 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | | | trans | -87.5 | 89.5 | 169.5 | -165 | 0 | 0 | 0 | 0 | 109.5 | N140 I141 | N140-S143 WeakPolarHBondContact O-CB 3.34Å; N140-S143 PolarHBondContact O-N 3.01Å; I141-S143 VanDerWaalsContact C-N 3.31Å |
| 144 | G | 31.4 | Very low | 39.8 | Very low | 57 Ų | 57 | 122.5 Ų | 122.5 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | | | trans | -61.4 | 168.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y142 | Y142-G144 PolarHBondContact O-N 3.19Š|
| 145 | N | 30.5 | Very low | 38.5 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | | | trans | 62.6 | 72.6 | 172.1 | -57.8 | -9.9 | 0 | 0 | 0 | 116.3 | | |
| 146 | N | 33.1 | Very low | 37.2 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 87% | 0.872 | 70% | 0.7 | S | S | * | * | | | trans | -158.6 | 97.5 | 142.1 | -105.2 | -53.2 | 0 | 0 | 0 | 110.9 | P148 | N146-P148 WeakPolarHBondContact O-CD 3.33Š|
| 147 | V | 35 | Very low | 36.1 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | -97.1 | 112.8 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | N149 | V147-N149 PolarHBondContact O-N 3.25Š|
| 148 | P | 36.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | -76 | 76.5 | 173.6 | 31.6 | -34.4 | 0 | 0 | 0 | 110.6 | N146 R150 | N146-P148 WeakPolarHBondContact O-CD 3.33Å; P148-R150 PolarHBondContact O-N 3.3Å |
| 149 | N | 31.1 | Very low | 34.4 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | trans | -69.1 | 90.4 | 174.6 | 179.5 | 9.2 | 0 | 0 | 0 | 111 | V147 | V147-N149 PolarHBondContact O-N 3.25Š|
| 150 | R | 35.7 | Very low | 33.5 | Very low | 237 Ų | 237 | 133.2 Ų | 133.2 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | | | trans | -136.2 | 78.8 | 165.9 | -73.8 | -161 | 171.9 | -172.3 | -1.9 | 113 | P148 | P148-R150 PolarHBondContact O-N 3.3Š|
| 151 | N | 29.8 | Very low | 33 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | | | trans | 4.6 | 119.2 | 142.7 | -159.1 | 2.2 | 0 | 0 | 0 | 116.9 | N153 | N151-N153 VanDerWaalsContact C-N 3.35Å; N151-N153 PolarHBondContact O-N 2.84Å |
| 152 | P | 31.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -83.1 | 63.5 | -171.9 | 35.9 | -38.4 | 0 | 0 | 0 | 114.2 | V154 | P152-V154 PolarHBondContact O-N 3.12Š|
| 153 | N | 33.1 | Very low | 32.3 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -84 | 104.1 | 172.4 | -87.1 | -13.6 | 0 | 0 | 0 | 111.6 | N151 P155 | N151-N153 VanDerWaalsContact C-N 3.35Å; N151-N153 PolarHBondContact O-N 2.84Å; N153-P155 WeakPolarHBondContact O-CD 3.35Å |
| 154 | V | 34.9 | Very low | 32.2 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | trans | -94.6 | 113.3 | 169.3 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | P152 K156 | P152-V154 PolarHBondContact O-N 3.12Å; V154-K156 PolarHBondContact O-N 2.8Å |
| 155 | P | 35.4 | Very low | 32.1 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | -74.2 | 120.3 | 169.3 | -9.2 | 26.4 | 0 | 0 | 0 | 109.5 | N153 | N153-P155 WeakPolarHBondContact O-CD 3.35Š|
| 156 | K | 29.4 | Very low | 32.3 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | | | trans | -78.3 | 136.3 | 153.2 | -68.5 | 178.8 | 179.2 | 176.9 | 0 | 108 | V154 | V154-K156 PolarHBondContact O-N 2.8Š|
| 157 | C | 31.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | | | trans | -149 | 140.7 | 147.7 | -97.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 158 | D | 31.9 | Very low | 32.4 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -102.2 | 160.4 | -178.1 | -71.2 | -75.2 | 0 | 0 | 0 | 111.4 | | |
| 159 | A | 31 | Very low | 32.3 | Very low | 87 Ų | 87 | 149 Ų | 149 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | 62.1 | 126 | 150.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 160 | V | 28.8 | Very low | 32.3 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | | 37.8 | 121.8 | 119.5 | -165.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 161 | T | 28.2 | Very low | 32.3 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | | -172.2 | 175.6 | 68.4 | -29.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 162 | Q | 34.6 | Very low | 32.5 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 77.4 | 121.7 | 164.2 | -64 | 164.5 | 20.5 | 0 | 0 | 114.6 | | |
| 163 | T | 29.6 | Very low | 32.7 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | cis | 60.5 | 131.1 | 49.3 | -4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 164 | E | 33.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | | | cis | -142.3 | 165.4 | 23.9 | -84.1 | -173 | 151.4 | 0 | 0 | 115.2 | | |
| 165 | H | 30.3 | Very low | 32.7 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 46.1 | 143.1 | 149.8 | -64.1 | -46.8 | 0 | 0 | 0 | 121.6 | | |
| 166 | V | 34.4 | Very low | 32.5 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | | -156.5 | 142.1 | 64.3 | 158.9 | 0 | 0 | 0 | 0 | 113 | | |
| 167 | K | 35.5 | Very low | 32.6 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | 33.4 | 103.5 | 161.1 | -62.4 | 164.9 | -173.6 | 175.7 | 0 | 118.3 | | |
| 168 | K | 34.5 | Very low | 32.4 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | | | | 52.9 | 114.5 | 78.7 | -80.2 | -170.9 | 171.9 | 178.8 | 0 | 116.4 | | |
| 169 | Y | 33.9 | Very low | 32.4 | Very low | 236 Ų | 236 | 135.8 Ų | 135.8 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | | -140.8 | 139 | 126.6 | -105.9 | -83.6 | 0 | 0 | 0 | 108.8 | | |
| 170 | N | 31.7 | Very low | 32.4 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | -112.2 | 142 | -177.1 | -77.5 | 5.7 | 0 | 0 | 0 | 111.3 | | |
| 171 | S | 36.2 | Very low | 32.6 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | -154.3 | 117.2 | 141.5 | -90.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 172 | Q | 34.1 | Very low | 32.6 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | | 65.5 | 130.4 | 86 | -68.5 | -174.2 | 29.5 | 0 | 0 | 112.9 | | |
| 173 | S | 33.8 | Very low | 32.9 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | cis | -162.5 | 166.2 | -4.7 | -91.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 174 | S | 34 | Very low | 32.9 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | 33.8 | 140 | 150.1 | -52 | 0 | 0 | 0 | 0 | 121.8 | | |
| 175 | G | 34.6 | Very low | 32.9 | Very low | 79 Ų | 79 | 138.1 Ų | 138.1 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | | | cis | 177.8 | 177.6 | 3.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 176 | S | 30.4 | Very low | 33.1 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -90.9 | 151.7 | -179.9 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 177 | S | 32.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | | 160.6 | 149.4 | 123.1 | -83.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 178 | F | 28 | Very low | 32.8 | Very low | 201 Ų | 201 | 133.5 Ų | 133.5 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | 30.4 | 148.2 | 142.4 | -73.7 | -98.7 | 0 | 0 | 0 | 123.3 | | |
| 179 | G | 31.4 | Very low | 32.5 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 124.6 | 87.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 180 | S | 30.6 | Very low | 32.2 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | cis | 85.7 | 133.1 | 49.8 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 181 | Q | 32.6 | Very low | 32 | Very low | 191 Ų | 191 | 122.8 Ų | 122.8 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | 72.7 | 155 | 170.4 | -46.5 | -168.1 | 20.5 | 0 | 0 | 117.2 | | |
| 182 | S | 29.6 | Very low | 31.6 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | cis | 159.1 | 101.4 | -40.2 | 166.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 183 | S | 40.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -153.1 | 124.3 | 168.2 | -55 | 0 | 0 | 0 | 0 | 106.3 | | |
| 184 | R | 29.7 | Very low | 31.1 | Very low | 227 Ų | 227 | 119.2 Ų | 119.2 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | cis | 56.2 | 121.3 | 25.4 | -77.4 | -173.9 | 170.8 | -161.2 | -2.2 | 112.4 | | |
| 185 | S | 32.7 | Very low | 30.9 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | cis | -142.7 | -154 | -0.9 | -62.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 186 | V | 35.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | cis | -153.7 | 167.9 | 9.4 | -130.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 187 | S | 29 | Very low | 30.6 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | -88.6 | 144.7 | 166.4 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 188 | S | 33.6 | Very low | 30.6 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | 176.8 | 141.6 | 150.2 | -80.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 189 | S | 27.9 | Very low | 30.8 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | cis | 110.5 | 121.1 | 21.3 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 190 | S | 28.6 | Very low | 30.9 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | 83.3 | 145.7 | 151.3 | -52.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 191 | S | 28 | Very low | 31.2 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | 70.6 | 116.7 | 149.7 | 28.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 192 | S | 27.9 | Very low | 31.4 | Very low | 105 Ų | 105 | 113 Ų | 113 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | | 18.3 | 147.7 | 121.2 | 61.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 193 | S | 28.5 | Very low | 31.8 | Very low | 99 Ų | 99 | 113.9 Ų | 113.9 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | cis | -164.1 | 161.1 | 46.6 | -53.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 194 | S | 28.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | 39.6 | 144.9 | 139.4 | 61.6 | 0 | 0 | 0 | 0 | 124.3 | | |
| 195 | S | 29.4 | Very low | 32 | Very low | 106 Ų | 106 | 107.5 Ų | 107.5 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | trans | 66.6 | 149.5 | 145.2 | 50.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 196 | S | 29.1 | Very low | 32.2 | Very low | 98 Ų | 98 | 107.4 Ų | 107.4 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | cis | -171.2 | 156.9 | -19.3 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 197 | S | 30.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 105.5 Ų | 105.5 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | | | trans | 65.3 | 162.7 | 144.7 | 57.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 198 | S | 31.6 | Very low | 32.6 | Very low | 102 Ų | 102 | 106.6 Ų | 106.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | trans | 77.6 | 103.7 | 158.8 | -53.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 199 | S | 32.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 105.5 Ų | 105.5 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | | 87.9 | 153.1 | 70.2 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 200 | S | 34.3 | Very low | 33.1 | Very low | 105 Ų | 105 | 108.5 Ų | 108.5 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | | | cis | -110.1 | -129.8 | 1.7 | 41.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 201 | S | 36.5 | Very low | 33.4 | Very low | 99 Ų | 99 | 109.5 Ų | 109.5 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | cis | -169.1 | 157.8 | -0.2 | 20.5 | 0 | 0 | 0 | 0 | 108 | | |
| 202 | T | 36.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 112.9 Ų | 112.9 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | | | cis | -165.8 | 150 | -18 | 22.7 | 0 | 0 | 0 | 0 | 108 | | |
| 203 | S | 37.4 | Very low | 34.4 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | trans | 55.7 | 139.6 | 159.3 | 58 | 0 | 0 | 0 | 0 | 120.2 | | |
| 204 | S | 37.1 | Very low | 34.8 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | cis | -169.1 | -167.1 | -12.9 | 60.6 | 0 | 0 | 0 | 0 | 105.8 | | |
| 205 | S | 38.1 | Very low | 34.8 | Very low | 100 Ų | 100 | 114.3 Ų | 114.3 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | cis | -170.8 | 158.7 | -4.2 | 21 | 0 | 0 | 0 | 0 | 105.3 | | |
| 206 | S | 37.1 | Very low | 34.8 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | cis | -172 | 153.2 | -3.8 | 42.8 | 0 | 0 | 0 | 0 | 109 | | |
| 207 | S | 34.8 | Very low | 34.7 | Very low | 105 Ų | 105 | 119.2 Ų | 119.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | 50.5 | 133.5 | 152.3 | 61.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 208 | T | 36.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 117.5 Ų | 117.5 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | | | cis | -150.2 | -162.6 | 35.5 | 48.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 209 | S | 35.1 | Very low | 34.7 | Very low | 90 Ų | 90 | 120.1 Ų | 120.1 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | | -169.6 | 151.1 | -63 | -71.8 | 0 | 0 | 0 | 0 | 110 | | |
| 210 | Q | 37.6 | Very low | 34.6 | Very low | 172 Ų | 172 | 122.7 Ų | 122.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 66.3 | 150 | 161.5 | -65.5 | 179.6 | -91.1 | 0 | 0 | 117.9 | | |
| 211 | D | 35.2 | Very low | 34.4 | Very low | 131 Ų | 131 | 125 Ų | 125 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | cis | -151.5 | -160.8 | -10.6 | -118.1 | -33.8 | 0 | 0 | 0 | 113.5 | | |
| 212 | Q | 32.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -82.2 | 165.7 | -154.5 | -80.6 | -167.5 | 9.9 | 0 | 0 | 121.2 | | |
| 213 | P | 43.1 | Very low | 33.9 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -84.8 | -168.2 | 175.4 | 41.3 | -41.8 | 0 | 0 | 0 | 112.6 | | |
| 214 | P | 38.9 | Very low | 33.6 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | cis | -149.4 | -169.5 | 18.1 | 45.7 | -23.9 | 0 | 0 | 0 | 119.9 | | |
| 215 | S | 27.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 101.8 | 160.6 | 148.9 | 82.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 216 | Q | 30.1 | Very low | 32.7 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 84.3 | 85.3 | 168.5 | -56.9 | -156.7 | 11 | 0 | 0 | 122.2 | | |
| 217 | T | 26.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | | | | 47.7 | 122.2 | 122.2 | 40.5 | 0 | 0 | 0 | 0 | 123.9 | | |
| 218 | G | 31.2 | Very low | 31.9 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | trans | -176.7 | 86.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 219 | L | 29.7 | Very low | 31.3 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | | 60 | 123.4 | 92.8 | -60.8 | 177 | 0 | 0 | 0 | 113.3 | | |
| 220 | M | 31.8 | Very low | 30.9 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | | | cis | -152.7 | 160.7 | 3.3 | -99.5 | 162.4 | 78.2 | 0 | 0 | 111.6 | | |
| 221 | N | 28.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -81.6 | 148.9 | 173.2 | -78.8 | -35.2 | 0 | 0 | 0 | 113.2 | | |
| 222 | N | 34.2 | Very low | 30.1 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | trans | -150.6 | 134 | 136.2 | -85.1 | -45 | 0 | 0 | 0 | 104.9 | | |
| 223 | G | 28.9 | Very low | 29.9 | Very low | 64 Ų | 64 | 128 Ų | 128 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | | | cis | 94.5 | 117.7 | 42.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 224 | L | 30.9 | Very low | 29.2 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | cis | -140.4 | 139.5 | 17.5 | -63.7 | 158.8 | 0 | 0 | 0 | 111 | | |
| 225 | G | 28.7 | Very low | 28.5 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -89.4 | 129.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 226 | H | 28.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 63% | 0.625 | 77% | 0.772 | S | S | * | * | | | trans | -125.3 | 120.2 | 171.3 | -97.2 | -66.4 | 0 | 0 | 0 | 110.8 | F228 | H226-F228 PolarHBondContact O-N 2.8Š|
| 227 | S | 26.9 | Very low | 28.4 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -69.3 | 116.9 | 161 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 228 | F | 26.8 | Very low | 28.6 | Very low | 179 Ų | 179 | 131 Ų | 131 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -126.6 | 103.5 | 146.2 | -84 | -95.6 | 0 | 0 | 0 | 104.2 | H226 | H226-F228 PolarHBondContact O-N 2.8Š|
| 229 | L | 25.8 | Very low | 28.4 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | | 59.5 | 116.5 | 81.4 | -74.1 | 171.4 | 0 | 0 | 0 | 111.9 | P231 | L229-P231 WeakPolarHBondContact O-CD 3.32Š|
| 230 | D | 25.3 | Very low | 28.2 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -57.6 | 131 | 169.8 | -74 | -70.5 | 0 | 0 | 0 | 111.8 | | |
| 231 | P | 29.2 | Very low | 28 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -89.6 | 83.1 | 144.2 | 33.6 | -25.8 | 0 | 0 | 0 | 108.2 | L229 V233 | L229-P231 WeakPolarHBondContact O-CD 3.32Å; P231-V233 PolarHBondContact O-N 3.28Å |
| 232 | S | 27.9 | Very low | 27.9 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -66.7 | 96.3 | 168.1 | 167.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 233 | V | 28.5 | Very low | 27.5 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | trans | -137.6 | 105.1 | 174.3 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | P231 | P231-V233 PolarHBondContact O-N 3.28Š|
| 234 | D | 27.2 | Very low | 27.5 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | 44.8 | 118 | 149.8 | -51.7 | -30.4 | 0 | 0 | 0 | 121.2 | | |
| 235 | G | 25.8 | Very low | 27.2 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | trans | -72.6 | 129.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 236 | K | 29.4 | Very low | 27.1 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -123.3 | 124.9 | 159.2 | -72.5 | 180 | 179.5 | 172 | 0 | 109.3 | L238 | K236-L238 PolarHBondContact O-N 3.17Š|
| 237 | P | 25.4 | Very low | 27 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -71.2 | 118.7 | -179.1 | 28.5 | -33 | 0 | 0 | 0 | 109.6 | L239 | P237-L239 PolarHBondContact O-N 3.25Š|
| 238 | L | 29.4 | Very low | 27.2 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | | | trans | -72.7 | 80.6 | 171.9 | -75.8 | 178.5 | 0 | 0 | 0 | 110.6 | K236 | K236-L238 PolarHBondContact O-N 3.17Š|
| 239 | L | 28.3 | Very low | 27.2 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | trans | -52.5 | 138.9 | 167.8 | -80.8 | 159.1 | 0 | 0 | 0 | 111.4 | P237 R241 | P237-L239 PolarHBondContact O-N 3.25Å; L239-R241 PolarHBondContact O-N 3.47Å |
| 240 | S | 25.5 | Very low | 27.1 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 53% | 0.531 | 76% | 0.764 | S | S | . | * | | | trans | 17.7 | 71.1 | 140.3 | -56.1 | 0 | 0 | 0 | 0 | 117.4 | S242 | S240-S242 PolarHBondContact O-N 3.13Š|
| 241 | R | 26.8 | Very low | 27.4 | Very low | 246 Ų | 246 | 130 Ų | 130 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | | | trans | -81.5 | 76.5 | 160.4 | -130.2 | 175.5 | -177.6 | 173.5 | -0.5 | 109.7 | L239 | L239-R241 PolarHBondContact O-N 3.47Š|
| 242 | S | 26.1 | Very low | 27.3 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 139 | 150.8 | 39.1 | 0 | 0 | 0 | 0 | 108.5 | S240 S244 | S240-S242 PolarHBondContact O-N 3.13Å; S242-S244 PolarHBondContact O-N 2.94Å; S242-S244 VanDerWaalsContact O-N 3.14Å |
| 243 | L | 26.6 | Very low | 27.5 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.1 | 175.3 | -73.1 | 166.7 | 0 | 0 | 0 | 108.4 | V245 | L243-V245 PolarHBondContact O-N 3.16Š|
| 244 | S | 27.5 | Very low | 27.6 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124 | 172.1 | 46.7 | 0 | 0 | 0 | 0 | 108.9 | S242 V246 | S242-S244 PolarHBondContact O-N 2.94Å; S242-S244 VanDerWaalsContact O-N 3.14Å; S244-V246 PolarHBondContact O-N 3.42Å |
| 245 | V | 25.7 | Very low | 27.7 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 121.8 | 159 | 177.1 | 0 | 0 | 0 | 0 | 106.3 | L243 D247 | L243-V245 PolarHBondContact O-N 3.16Å; V245-D247 PolarHBondContact O-N 2.87Å |
| 246 | V | 27.3 | Very low | 27.8 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -83.7 | 99.8 | 175.3 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | S244 V248 | S244-V246 PolarHBondContact O-N 3.42Å; V246-V248 HydrophobicContact CG1-CG2 3.75Å |
| 247 | D | 25.1 | Very low | 27.7 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | -65.9 | 129.3 | 164.4 | -177.4 | 16.6 | 0 | 0 | 0 | 108.9 | V245 | V245-D247 PolarHBondContact O-N 2.87Š|
| 248 | V | 31.4 | Very low | 28 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | -128.1 | 76.2 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | V246 G250 | V246-V248 HydrophobicContact CG1-CG2 3.75Å; V248-G250 PolarHBondContact O-N 3.33Å; V248-G250 VanDerWaalsContact O-N 3.15Å |
| 249 | G | 26.9 | Very low | 27.8 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -54.9 | 117.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 250 | G | 24.5 | Very low | 27.9 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -71.5 | 144.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V248 | V248-G250 PolarHBondContact O-N 3.33Å; V248-G250 VanDerWaalsContact O-N 3.15Å |
| 251 | K | 31.3 | Very low | 28.2 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -138.4 | 145 | 159.8 | -68.5 | -168.4 | 178.6 | -178.9 | 0 | 110.1 | | |
| 252 | N | 27.5 | Very low | 28.3 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | -51.1 | 144.9 | -168.8 | -53.8 | -25.3 | 0 | 0 | 0 | 115.2 | | |
| 253 | L | 31.3 | Very low | 28.5 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | | | trans | -152.1 | 133.8 | 144.3 | -111.6 | 158.3 | 0 | 0 | 0 | 108.9 | | |
| 254 | E | 31 | Very low | 28.7 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -101 | 167.9 | -164.4 | -60.1 | 175.1 | 98 | 0 | 0 | 113.8 | | |
| 255 | N | 28.6 | Very low | 28.6 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | 57.9 | 84.3 | 149.2 | -64.5 | -30.9 | 0 | 0 | 0 | 119.5 | | |
| 256 | C | 29 | Very low | 29 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 96% | 0.959 | 80% | 0.795 | S | S | * | * | | | | -158.6 | 142.6 | 119.6 | -102.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 257 | G | 26.8 | Very low | 28.9 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | cis | 161.4 | 31.3 | 0.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 258 | C | 30.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | | | trans | -128 | 147.7 | 177.7 | -77.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 259 | R | 25.9 | Very low | 29.4 | Very low | 223 Ų | 223 | 147 Ų | 147 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | trans | -121.3 | 177.5 | -170.6 | -145.9 | -176.6 | -168.6 | -177 | 1.9 | 110.2 | | |
| 260 | D | 29.6 | Very low | 29.4 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | 72.6 | 139.7 | 162.8 | -54.9 | -45.7 | 0 | 0 | 0 | 118 | | |
| 261 | S | 32.6 | Very low | 29.6 | Very low | 108 Ų | 108 | 152.6 Ų | 152.6 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | | | cis | -156.8 | 142.4 | -17 | -114.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 262 | V | 28.1 | Very low | 29.3 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | | | trans | -112.4 | 125.7 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 263 | K | 32.2 | Very low | 29.5 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 77% | 0.774 | 83% | 0.825 | S | S | * | * | | | trans | -170 | 143.4 | 156.9 | -117.4 | 167.2 | -171.9 | 178.8 | 0 | 115 | | |
| 264 | H | 30 | Very low | 29.3 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | trans | 59.6 | 149.5 | 169.3 | -54.4 | -72 | 0 | 0 | 0 | 117.6 | | |
| 265 | G | 26.4 | Very low | 29.3 | Very low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | | | cis | 145.3 | 168 | -9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 266 | V | 32.3 | Very low | 29.2 | Very low | 144 Ų | 144 | 151.1 Ų | 151.1 | 87% | 0.873 | 84% | 0.836 | S | S | * | * | | | trans | 82.5 | 132.6 | 170.4 | -173.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 267 | Y | 25.8 | Very low | 29.3 | Very low | 212 Ų | 212 | 148.2 Ų | 148.2 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | | | trans | -87.7 | 148.5 | 167.4 | -107.4 | -113.9 | 0 | 0 | 0 | 109.2 | | |
| 268 | E | 34.1 | Very low | 29.2 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | | | trans | -149.9 | 178.7 | 139.7 | -129.8 | 177.4 | -165.6 | 0 | 0 | 114.4 | | |
| 269 | K | 33.2 | Very low | 29.2 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | | | trans | -114.9 | 154.4 | -157.5 | -65.7 | 171 | -177.5 | 166 | 0 | 112.8 | | |
| 270 | S | 26.1 | Very low | 29.3 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | 17.2 | 114.9 | 144.1 | -50.9 | 0 | 0 | 0 | 0 | 119 | | |
| 271 | C | 29.2 | Very low | 29.4 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 97% | 0.973 | 83% | 0.827 | S | S | * | * | | | | -156.1 | 153.6 | 123.1 | -120.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 272 | G | 25.9 | Very low | 29.2 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | | | trans | -133.4 | 134.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 273 | L | 30.3 | Very low | 29.3 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | | | trans | -132.6 | 133.8 | 174.9 | -101 | 164.8 | 0 | 0 | 0 | 109.9 | | |
| 274 | K | 27.1 | Very low | 29.2 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | | | trans | -101.4 | 137.5 | 166.1 | -66.3 | 178.1 | 179.7 | 176.2 | 0 | 108 | | |
| 275 | Q | 32.2 | Very low | 29.3 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | | | trans | -148.3 | 149.8 | 148.4 | -108.2 | 173.3 | 25.1 | 0 | 0 | 109.4 | | |
| 276 | N | 26.4 | Very low | 29.4 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | | | trans | -100 | 135.1 | 179.9 | -59.5 | -47.1 | 0 | 0 | 0 | 109.2 | | |
| 277 | G | 30.1 | Very low | 29.5 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | | | trans | -131 | 127.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 278 | A | 26 | Very low | 29.6 | Very low | 91 Ų | 91 | 151.1 Ų | 151.1 | 75% | 0.752 | 84% | 0.844 | S | S | * | * | | | trans | -116.1 | -176.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 279 | L | 29.6 | Very low | 29.5 | Very low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 84% | 0.844 | S | S | * | * | | | trans | 79 | 146 | -178.1 | -48.4 | 178.6 | 0 | 0 | 0 | 113.5 | | |
| 280 | S | 28.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 88% | 0.881 | 84% | 0.844 | S | S | * | * | | | cis | -164.7 | 154.3 | -17.3 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 281 | G | 30.9 | Very low | 29.5 | Very low | 63 Ų | 63 | 155 Ų | 155 | 65% | 0.649 | 85% | 0.851 | S | S | * | * | | | trans | 153.3 | 94.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 282 | S | 29.2 | Very low | 29.5 | Very low | 104 Ų | 104 | 152.8 Ų | 152.8 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | | | | 63.2 | 125.4 | 85 | -156.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 283 | L | 29.8 | Very low | 29.8 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 90% | 0.895 | 84% | 0.844 | S | S | * | * | | | cis | -120 | 176.4 | 35.5 | -94.5 | 83 | 0 | 0 | 0 | 116.3 | | |
| 284 | R | 31.6 | Very low | 29.9 | Very low | 229 Ų | 229 | 158.3 Ų | 158.3 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | | | trans | -109 | 140.8 | -175.7 | -50 | 165.5 | -178.6 | 153.2 | -2.4 | 111.7 | | |
| 285 | V | 31.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 159.1 Ų | 159.1 | 87% | 0.867 | 85% | 0.845 | S | S | * | * | | | trans | -137.5 | 133.8 | 137.1 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 286 | S | 27 | Very low | 30 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 79% | 0.79 | 84% | 0.841 | S | S | * | * | | | trans | -154.1 | 113 | 173 | -79.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 287 | K | 35 | Very low | 30.2 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | | | trans | -132.9 | 104.8 | 156.2 | -68.5 | 179.5 | 178.4 | 176.8 | 0 | 104.7 | | |
| 288 | R | 27.9 | Very low | 30.2 | Very low | 239 Ų | 239 | 154.6 Ų | 154.6 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | | | | 45.5 | 103.9 | 76.8 | -76.2 | -172 | 165.9 | -170 | -2.8 | 112.4 | | |
| 289 | L | 31.2 | Very low | 30.5 | Very low | 171 Ų | 171 | 160.1 Ų | 160.1 | 90% | 0.895 | 84% | 0.841 | S | S | * | * | | | | -158.4 | 129.5 | 122.9 | -108.1 | 167.2 | 0 | 0 | 0 | 110 | | |
| 290 | N | 28.5 | Very low | 30.6 | Very low | 151 Ų | 151 | 157.2 Ų | 157.2 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | | | trans | -88.8 | 145.2 | 168.9 | -68.9 | -34.5 | 0 | 0 | 0 | 109 | | |
| 291 | R | 31.9 | Very low | 30.5 | Very low | 252 Ų | 252 | 158.1 Ų | 158.1 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | | | trans | -162.8 | 143.2 | 131.5 | -107.2 | 154.2 | -169.7 | -171.4 | 2.2 | 111.9 | | |
| 292 | S | 29.2 | Very low | 30.5 | Very low | 97 Ų | 97 | 161.2 Ų | 161.2 | 68% | 0.678 | 84% | 0.837 | S | S | * | * | | | trans | -93.8 | 158.6 | 179.1 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 293 | N | 32.2 | Very low | 30.5 | Very low | 163 Ų | 163 | 159.9 Ų | 159.9 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | | | | -162.8 | 154.2 | 114.1 | -98.7 | -23.5 | 0 | 0 | 0 | 114.4 | | |
| 294 | K | 32.3 | Very low | 30.4 | Very low | 200 Ų | 200 | 162.9 Ų | 162.9 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | | | trans | -77.4 | 151.3 | 174.4 | -61.3 | 168.8 | 175.3 | 175.4 | 0 | 110.7 | | |
| 295 | K | 30.7 | Very low | 30.3 | Very low | 211 Ų | 211 | 158.2 Ų | 158.2 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | | | | -157.7 | 128.2 | 123.1 | -111.8 | 166.7 | -176.8 | 178.5 | 0 | 111.6 | | |
| 296 | S | 30.7 | Very low | 30.3 | Very low | 117 Ų | 117 | 156.1 Ų | 156.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -84.9 | 160.2 | 167.9 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 297 | G | 30.9 | Very low | 30.5 | Very low | 71 Ų | 71 | 157.4 Ų | 157.4 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | -163.2 | 53.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 298 | D | 28.6 | Very low | 30.5 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | trans | -57.3 | 137 | 168.2 | -72.7 | -66.5 | 0 | 0 | 0 | 111.3 | | |
| 299 | K | 33.3 | Very low | 30.6 | Very low | 208 Ų | 208 | 154.8 Ų | 154.8 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | | | trans | -132.5 | 131.1 | 161.7 | -76.3 | -172.5 | 177.6 | 177.1 | 0 | 109.7 | | |
| 300 | S | 32.2 | Very low | 30.2 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -84.7 | 134.6 | -167.4 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 301 | I | 24.7 | Very low | 30.2 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | | | trans | 8.5 | 127.8 | 133.3 | -58.1 | 167.8 | 0 | 0 | 0 | 116 | A303 | I301-A303 HydrophobicContact CG2-CB 3.84Š|
| 302 | P | 30.7 | Very low | 30 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -107.1 | 120 | 133 | -5.9 | 25 | 0 | 0 | 0 | 109.9 | | |
| 303 | A | 29.2 | Very low | 29.9 | Very low | 76 Ų | 76 | 149.3 Ų | 149.3 | 63% | 0.628 | 81% | 0.811 | S | S | * | * | | | trans | -97.4 | 125.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I301 | I301-A303 HydrophobicContact CG2-CB 3.84Š|
| 304 | Y | 29.5 | Very low | 29.7 | Very low | 233 Ų | 233 | 148.1 Ų | 148.1 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | | | trans | -100.7 | 101 | 170.9 | -122.7 | -85.9 | 0 | 0 | 0 | 109.5 | | |
| 305 | N | 28.6 | Very low | 29.6 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | -72.8 | 142.3 | 173.5 | -72.5 | -17 | 0 | 0 | 0 | 110.4 | | |
| 306 | A | 32.4 | Very low | 29.3 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -142.1 | 79.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | K308 | A306-K308 PolarHBondContact O-N 3.02Š|
| 307 | D | 31.6 | Very low | 29.1 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | | | trans | -61.3 | 117.5 | -174.6 | -60.7 | -86.7 | 0 | 0 | 0 | 113.7 | | |
| 308 | K | 34.3 | Very low | 29 | Very low | 198 Ų | 198 | 151.9 Ų | 151.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -140.8 | 81.1 | 157.3 | -69.9 | -161.2 | 177.2 | -176.8 | 0 | 113 | A306 | A306-K308 PolarHBondContact O-N 3.02Š|
| 309 | Q | 29.4 | Very low | 29.1 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | 43.7 | 104.9 | 144.8 | -62.2 | 178.2 | -0.4 | 0 | 0 | 118.3 | | |
| 310 | L | 23.6 | Very low | 28.7 | Very low | 157 Ų | 157 | 154.7 Ų | 154.7 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -77.3 | 138.6 | 155.7 | -67.8 | 169.4 | 0 | 0 | 0 | 110.4 | I312 | L310-I312 PolarHBondContact O-N 2.92Š|
| 311 | P | 27.8 | Very low | 28.5 | Very low | 119 Ų | 119 | 156.5 Ų | 156.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -76.7 | 101.3 | 156.1 | 31.2 | -29.3 | 0 | 0 | 0 | 108.9 | V313 | P311-V313 PolarHBondContact O-N 3.47Š|
| 312 | I | 27.4 | Very low | 28.8 | Very low | 145 Ų | 145 | 158.2 Ų | 158.2 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -69.8 | 124.7 | 163.9 | -61.8 | 171.3 | 0 | 0 | 0 | 107.4 | L310 D314 | L310-I312 PolarHBondContact O-N 2.92Å; I312-D314 HydrophobicContact CG2-CB 4.31Å |
| 313 | V | 28 | Very low | 28.6 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -126 | 99.4 | 161.9 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | P311 | P311-V313 PolarHBondContact O-N 3.47Š|
| 314 | D | 27.6 | Very low | 28.8 | Very low | 139 Ų | 139 | 162.4 Ų | 162.4 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | trans | -100.9 | 107 | 174.5 | -179.7 | 15.2 | 0 | 0 | 0 | 108.5 | I312 | I312-D314 HydrophobicContact CG2-CB 4.31Š|
| 315 | E | 30.9 | Very low | 28.7 | Very low | 168 Ų | 168 | 160.6 Ų | 160.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -144.7 | 83.4 | 167.1 | -164 | 173.6 | -167.3 | 0 | 0 | 112.5 | R317 | E315-R317 PolarHBondContact O-N 2.93Å; E315-R317 VanDerWaalsContact O-N 3.17Å |
| 316 | C | 23.6 | Very low | 28.7 | Very low | 112 Ų | 112 | 156.7 Ų | 156.7 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | | | trans | -69.6 | 98.5 | 156.9 | -79.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 317 | R | 27.3 | Very low | 28.5 | Very low | 195 Ų | 195 | 161 Ų | 161 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | 178.8 | 151.8 | 142 | -100.7 | 150.6 | -176.2 | -163.5 | 1.4 | 116.5 | E315 | E315-R317 PolarHBondContact O-N 2.93Å; E315-R317 VanDerWaalsContact O-N 3.17Å |
| 318 | R | 27.7 | Very low | 28.4 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | 51.5 | 99.7 | 144.2 | -63.6 | 165.2 | 175.4 | 178.5 | -4.5 | 119 | | |
| 319 | K | 30.9 | Very low | 28.1 | Very low | 203 Ų | 203 | 160.8 Ų | 160.8 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | | 177.7 | 138.6 | 99.1 | -93.4 | 153.2 | -173.8 | 174.9 | 0 | 113.3 | | |
| 320 | Y | 25.2 | Very low | 28.1 | Very low | 226 Ų | 226 | 156.3 Ų | 156.3 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | | | trans | -75.8 | 136.4 | 157.2 | -82.6 | -110.4 | 0 | 0 | 0 | 109.6 | | |
| 321 | T | 28.8 | Very low | 28.5 | Very low | 148 Ų | 148 | 158.4 Ų | 158.4 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | | | trans | -154.1 | 149 | 136.6 | 8.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 322 | K | 29.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -88.5 | 149.5 | -171.2 | -56.4 | 165.7 | -179 | 169.5 | 0 | 111.9 | | |
| 323 | T | 27.8 | Very low | 28.9 | Very low | 151 Ų | 151 | 159.5 Ų | 159.5 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | | | trans | -132.1 | 51.9 | 142 | -37.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 324 | I | 32.2 | Very low | 28.7 | Very low | 143 Ų | 143 | 158 Ų | 158 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -79.2 | 120.2 | 160.5 | -64 | 175.1 | 0 | 0 | 0 | 106.4 | G326 | I324-G326 PolarHBondContact O-N 2.94Š|
| 325 | H | 27.4 | Very low | 28.9 | Very low | 195 Ų | 195 | 161.1 Ų | 161.1 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | | | trans | -74.1 | 99 | 174.5 | -160.7 | 84.1 | 0 | 0 | 0 | 108.9 | | |
| 326 | G | 28.5 | Very low | 28.8 | Very low | 49 Ų | 49 | 161.5 Ų | 161.5 | 51% | 0.505 | 80% | 0.799 | S | S | . | * | | | trans | -129.9 | 121.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I324 | I324-G326 PolarHBondContact O-N 2.94Š|
| 327 | Q | 29.5 | Very low | 29.2 | Very low | 189 Ų | 189 | 165.7 Ų | 165.7 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -80.9 | 121.3 | 137.8 | -66.6 | 167.5 | -20.7 | 0 | 0 | 104.4 | | |
| 328 | L | 28.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 167.6 Ų | 167.6 | 69% | 0.686 | 82% | 0.815 | S | S | * | * | | | | 53.6 | 120.3 | 67.8 | -62.9 | 165.3 | 0 | 0 | 0 | 109.8 | | |
| 329 | F | 28.9 | Very low | 29.5 | Very low | 202 Ų | 202 | 166.4 Ų | 166.4 | 89% | 0.886 | 82% | 0.815 | S | S | * | * | | | cis | -119.4 | 174.8 | 30.4 | -82.9 | -97.5 | 0 | 0 | 0 | 116 | | |
| 330 | S | 29.1 | Very low | 29.7 | Very low | 94 Ų | 94 | 164.1 Ų | 164.1 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | | | trans | -138.8 | 179.4 | -177.1 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 331 | K | 32.6 | Very low | 30.1 | Very low | 201 Ų | 201 | 160.4 Ų | 160.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | 90.5 | 142.2 | -171.6 | -60.4 | 180 | 177.9 | -177.5 | 0 | 113.5 | | |
| 332 | S | 31.3 | Very low | 30.5 | Very low | 114 Ų | 114 | 158.2 Ų | 158.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | cis | -155.3 | 167.4 | -5.7 | 31.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 333 | H | 31.2 | Very low | 30.9 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | -23.6 | 148.2 | 171.6 | -94.1 | -98.9 | 0 | 0 | 0 | 120.1 | | |
| 334 | C | 25 | Very low | 31.2 | Very low | 103 Ų | 103 | 157.4 Ų | 157.4 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | | | trans | -17.2 | 142.8 | 144.8 | -42.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 335 | F | 30.3 | Very low | 31.5 | Very low | 203 Ų | 203 | 156 Ų | 156 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | | -153.5 | 155 | 111.8 | -113.5 | -77.1 | 0 | 0 | 0 | 111 | | |
| 336 | H | 28.3 | Very low | 32 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | | | trans | -82.1 | 134.1 | 162.4 | -91.7 | 21.8 | 0 | 0 | 0 | 109.4 | | |
| 337 | Q | 33.2 | Very low | 32.4 | Very low | 199 Ų | 199 | 155.3 Ų | 155.3 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | | | | -167.8 | 174.9 | 129 | -105.7 | 172.6 | 48.3 | 0 | 0 | 111 | | |
| 338 | R | 27.9 | Very low | 32.8 | Very low | 236 Ų | 236 | 153.3 Ų | 153.3 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | | | trans | -109.3 | 160.7 | -168.4 | -64 | 176.3 | 172.3 | 169.4 | -5 | 112.4 | | |
| 339 | K | 32.4 | Very low | 33.5 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | trans | 79.3 | 135.2 | 159.2 | -66.6 | -177.7 | 160.1 | -159.9 | 0 | 118.6 | | |
| 340 | Q | 35.6 | Very low | 33.9 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | | | trans | 60.7 | 145.6 | 137.8 | -70.8 | 174.9 | -84.1 | 0 | 0 | 119.3 | | |
| 341 | K | 34.9 | Very low | 34.3 | Very low | 148 Ų | 148 | 154 Ų | 154 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | cis | -167.3 | 156 | -23.8 | -150.3 | -175.5 | 157.4 | -76.9 | 0 | 106.2 | | |
| 342 | D | 37 | Very low | 34.5 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 54% | 0.54 | 77% | 0.773 | S | S | . | * | | | trans | 68.4 | 145.5 | 159.5 | -52.5 | -36.5 | 0 | 0 | 0 | 119.8 | | |
| 343 | D | 36.1 | Very low | 34.8 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | 57.8 | 143.8 | 139.8 | -57.2 | -8.3 | 0 | 0 | 0 | 121.2 | | |
| 344 | E | 34.4 | Very low | 34.9 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | cis | -162.7 | -177.2 | -13.7 | -142 | -157.8 | 139.5 | 0 | 0 | 110.6 | | |
| 345 | V | 38.1 | Very low | 35.2 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | 64.5 | 130.6 | 156.4 | 176 | 0 | 0 | 0 | 0 | 121.2 | | |
| 346 | A | 38.2 | Very low | 35.1 | Very low | 74 Ų | 74 | 147.9 Ų | 147.9 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | | | trans | -70.8 | 171 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 347 | N | 38.5 | Very low | 35.4 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | | | | -169.2 | 162.1 | 108.5 | -101.1 | -62.4 | 0 | 0 | 0 | 114.6 | | |
| 348 | N | 37.1 | Very low | 35.3 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -114.3 | -150.6 | -178.4 | -75 | -76.8 | 0 | 0 | 0 | 111.7 | | |
| 349 | P | 42.9 | Very low | 35.7 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | | -125.8 | -176.2 | -96.4 | 41.1 | -25.7 | 0 | 0 | 0 | 114.1 | | |
| 350 | G | 37.1 | Very low | 35.7 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | | | trans | -175.4 | 122.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 351 | R | 38.6 | Very low | 35.6 | Very low | 247 Ų | 247 | 138.7 Ų | 138.7 | 93% | 0.932 | 75% | 0.752 | S | S | * | * | | | trans | 64.2 | 162 | 156.6 | -53 | -178.8 | -177.8 | -146.4 | -0.4 | 118.1 | | |
| 352 | K | 36.4 | Very low | 35.4 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | 165.2 | 143.5 | -51.7 | -102 | -167 | 174.9 | -172.1 | 0 | 107.9 | | |
| 353 | T | 37.4 | Very low | 35.2 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | 59.8 | 153.3 | 155.8 | 47.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 354 | D | 32.8 | Very low | 34.9 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | cis | -168.1 | 170.9 | -36.4 | -126.5 | -51.1 | 0 | 0 | 0 | 112.3 | | |
| 355 | T | 33 | Very low | 34.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | 59.8 | 120.3 | 153 | 50.9 | 0 | 0 | 0 | 0 | 124.6 | | |
| 356 | S | 27.8 | Very low | 34.5 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | | 90.8 | 165.2 | 124.1 | 81.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 357 | S | 33.8 | Very low | 34.2 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | 70.2 | 160.5 | -179.9 | 76.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 358 | E | 30.5 | Very low | 33.9 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | | -172.6 | 124.7 | -53.8 | 177 | -175.9 | 172.7 | 0 | 0 | 107.7 | | |
| 359 | S | 36.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | 164.8 | 165 | 155.9 | 39.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 360 | R | 33 | Very low | 33 | Very low | 209 Ų | 209 | 154.6 Ų | 154.6 | 79% | 0.789 | 80% | 0.804 | S | S | * | * | | | cis | -164.7 | 152.9 | -47.8 | -150.6 | 179.8 | -118.5 | -173.5 | 0.8 | 107.2 | | |
| 361 | I | 33 | Very low | 32.7 | Very low | 147 Ų | 147 | 156.3 Ų | 156.3 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | | | trans | 67.2 | 104.5 | 170.3 | -47.3 | 173.7 | 0 | 0 | 0 | 114.1 | | |
| 362 | L | 30.7 | Very low | 32.5 | Very low | 162 Ų | 162 | 149 Ų | 149 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | | 78.8 | 101.9 | 57.4 | -69.6 | 171.6 | 0 | 0 | 0 | 116.4 | | |
| 363 | S | 33.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | 168.3 | 148 | 140.8 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 364 | M | 29.5 | Very low | 32 | Very low | 147 Ų | 147 | 147 Ų | 147 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | | -165.2 | 150.7 | -53.4 | -120.5 | -69.6 | -91.6 | 0 | 0 | 109.5 | | |
| 365 | R | 32.3 | Very low | 32 | Very low | 233 Ų | 233 | 147.2 Ų | 147.2 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | 62.5 | 134.2 | 178.3 | -62.3 | 172.5 | 167 | 149 | -5.4 | 116.4 | | |
| 366 | G | 32 | Very low | 31.9 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | cis | -176.4 | 125.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 367 | V | 32.1 | Very low | 32.1 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -109.1 | 128.5 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 368 | R | 32.3 | Very low | 32 | Very low | 247 Ų | 247 | 147.4 Ų | 147.4 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | | | trans | -91.8 | 119.5 | 166.7 | -71.6 | -171.8 | -178.3 | 179.7 | 2 | 109.5 | | |
| 369 | K | 30.8 | Very low | 32.2 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 74% | 0.735 | 79% | 0.788 | S | S | * | * | | | trans | -78 | 152.6 | 168 | -59.4 | 178.5 | -179.5 | 179.6 | 0 | 109.8 | | |
| 370 | F | 30.1 | Very low | 31.9 | Very low | 218 Ų | 218 | 150.2 Ų | 150.2 | 96% | 0.956 | 79% | 0.785 | S | S | * | * | | | trans | -132.6 | 145.9 | 132 | -91.2 | -75.1 | 0 | 0 | 0 | 108.2 | | |
| 371 | S | 31.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -109.7 | 150.7 | -158.1 | -51.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 372 | S | 34.2 | Very low | 31.7 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | | | trans | -85.8 | 165.5 | 154.8 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 373 | P | 33.1 | Very low | 31.6 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -121.5 | 144.2 | 132.7 | 34.8 | -27.9 | 0 | 0 | 0 | 110.1 | | |
| 374 | L | 29.4 | Very low | 31.6 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | cis | 80 | 144.5 | 29.9 | -74.6 | 171.5 | 0 | 0 | 0 | 116.8 | | |
| 375 | N | 33.3 | Very low | 31.5 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | trans | 97.5 | 144.8 | -179.6 | -57.7 | -11.1 | 0 | 0 | 0 | 115 | | |
| 376 | N | 31.1 | Very low | 31.2 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | cis | -167.1 | 163.3 | -18.2 | -103 | -13 | 0 | 0 | 0 | 108.5 | | |
| 377 | S | 32.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 147 Ų | 147 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | | | cis | -169.2 | 142.6 | -15.8 | 46.7 | 0 | 0 | 0 | 0 | 112 | | |
| 378 | V | 31.7 | Very low | 30.9 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | 48.5 | 117.6 | 138.9 | -179.4 | 0 | 0 | 0 | 0 | 120 | | |
| 379 | N | 33.3 | Very low | 30.9 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | | -156 | 164.4 | 111.2 | -120.1 | -33.7 | 0 | 0 | 0 | 113.9 | | |
| 380 | K | 31.4 | Very low | 30.7 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | -124.7 | 140.9 | -171.1 | -57.9 | 171.9 | -177.6 | 171.4 | 0 | 112.2 | | |
| 381 | H | 32.1 | Very low | 30.8 | Very low | 201 Ų | 201 | 138.6 Ų | 138.6 | 93% | 0.931 | 79% | 0.786 | S | S | * | * | | | trans | -137.6 | 165.2 | 144.2 | -80.5 | -73.9 | 0 | 0 | 0 | 109.8 | | |
| 382 | S | 28.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -141.5 | 153.1 | -147.5 | 56.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 383 | S | 29.4 | Very low | 30.5 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | 68.3 | 91.8 | 152.6 | -178 | 0 | 0 | 0 | 0 | 118.4 | | |
| 384 | V | 32.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 149 Ų | 149 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | -126.7 | 150.6 | 142 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 385 | R | 28.2 | Very low | 30.6 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -56.1 | 156.6 | -168.7 | -72.8 | 167.7 | 159.8 | 143.8 | -9.6 | 115.6 | S387 | R385-S387 PolarHBondContact O-N 3.16Š|
| 386 | S | 25.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 150 Ų | 150 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -63.6 | 121.4 | 164.3 | -46.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 387 | S | 29.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | -119 | 128.2 | 163.4 | -77.2 | 0 | 0 | 0 | 0 | 109.7 | R385 S389 | R385-S387 PolarHBondContact O-N 3.16Å; S387-S389 PolarHBondContact O-N 3.32Å |
| 388 | T | 27.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | | | trans | -93.5 | 76.9 | 177.6 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 389 | S | 32.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | -111.7 | 158.8 | 168.6 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | S387 | S387-S389 PolarHBondContact O-N 3.32Š|
| 390 | K | 27.9 | Very low | 30.3 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | -77.7 | 146.1 | 173.1 | -55.8 | 152.2 | -176.6 | 166.4 | 0 | 108 | | |
| 391 | D | 32.1 | Very low | 30.4 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -153.8 | 139.9 | 146.3 | -106.8 | -37.8 | 0 | 0 | 0 | 112.8 | | |
| 392 | F | 27.6 | Very low | 30.6 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -103.9 | 74.3 | -177.6 | -89.2 | -99.4 | 0 | 0 | 0 | 110.9 | M394 | F392-M394 PolarHBondContact O-N 3.15Š|
| 393 | R | 32 | Very low | 30.8 | Very low | 199 Ų | 199 | 147 Ų | 147 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | | | trans | -76.8 | 90.2 | 163.3 | -69.6 | -161 | -174.7 | -142.4 | 5.9 | 110.3 | | |
| 394 | M | 31.9 | Very low | 31 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | | | trans | -63.1 | 136.9 | 160.9 | -70.4 | -140.7 | -63.5 | 0 | 0 | 109.3 | F392 Q396 | F392-M394 PolarHBondContact O-N 3.15Å; M394-Q396 PolarHBondContact O-N 3.37Å |
| 395 | V | 32.4 | Very low | 31 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | trans | -79 | 91.9 | -174.1 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | H397 | V395-H397 HydrophobicContact CG1-CB 4.18Å; V395-H397 PolarHBondContact O-N 3.14Å |
| 396 | Q | 31 | Very low | 31.3 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -75.9 | 50.4 | 179.2 | -166.6 | 177.8 | -9.7 | 0 | 0 | 112.6 | M394 | M394-Q396 PolarHBondContact O-N 3.37Š|
| 397 | H | 28.3 | Very low | 31.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | -135.9 | 72.1 | -175.8 | -69.1 | -58.3 | 0 | 0 | 0 | 114 | V395 | V395-H397 HydrophobicContact CG1-CB 4.18Å; V395-H397 PolarHBondContact O-N 3.14Å |
| 398 | V | 31.7 | Very low | 32 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | trans | -135.4 | 37.5 | 163 | -157.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 399 | S | 29.9 | Very low | 32.4 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -141.2 | 75.2 | -179.3 | -65.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 400 | P | 34.1 | Very low | 32.5 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -136 | -19.6 | 133.4 | 12.8 | 8.2 | 0 | 0 | 0 | 115 | L402 R403 | P400-L402 PolarHBondContact O-N 3.32Å; P400-R403 PolarHBondContact O-N 2.89Å |
| 401 | S | 33.6 | Very low | 32.9 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -20.9 | -163.7 | -49 | 0 | 0 | 0 | 0 | 115.6 | | |
| 402 | L | 35.3 | Very low | 33.1 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -37.9 | -179 | -92 | 154.5 | 0 | 0 | 0 | 113.6 | P400 R404 L405 | P400-L402 PolarHBondContact O-N 3.32Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 3.05Å; L402-L405 PolarHBondContact O-N 3.34Å |
| 403 | R | 34.3 | Very low | 33.3 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -65 | -30.8 | -177.7 | -96.3 | -175.9 | 170.5 | 178.4 | -5.4 | 113.1 | P400 L405 T406 | P400-R403 PolarHBondContact O-N 2.89Å; R403-L405 VanDerWaalsContact C-N 3.34Å; R403-L405 PolarHBondContact O-N 3.04Å; R403-T406 PolarHBondContact O-OG1 3.37Å |
| 404 | R | 32.8 | Very low | 33.3 | Very low | 214 Ų | 214 | 136.9 Ų | 136.9 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -73.7 | -18.3 | 178.4 | -86.8 | -172.7 | 171.4 | 179 | -2.3 | 114.5 | L402 | L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 3.05Å |
| 405 | L | 33.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 59% | 0.592 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -86.9 | -25.4 | 177.5 | -135.9 | 79.7 | 0 | 0 | 0 | 112.7 | L402 R403 | L402-L405 PolarHBondContact O-N 3.34Å; R403-L405 VanDerWaalsContact C-N 3.34Å; R403-L405 PolarHBondContact O-N 3.04Å |
| 406 | T | 33.7 | Very low | 33.6 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -82.8 | -13.4 | 179.2 | 45.5 | 0 | 0 | 0 | 0 | 113.9 | R403 | R403-T406 PolarHBondContact O-OG1 3.37Å |
| 407 | Q | 35.6 | Very low | 33.8 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -99.2 | -5 | -178.2 | -70.5 | 178.3 | -40.1 | 0 | 0 | 114 | | |
| 408 | S | 34.2 | Very low | 33.9 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -110 | 24.2 | 177.8 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 409 | M | 37 | Very low | 33.9 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -120 | 4.7 | -177.6 | -72.7 | -65.2 | -58.2 | 0 | 0 | 112.8 | | |
| 410 | T | 34 | Very low | 34.3 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.613 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -109.8 | 136.9 | 171.4 | 47.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 411 | N | 35.9 | Very low | 34.5 | Very low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 98.8 | 15.1 | 176.8 | -50.1 | -2.1 | 0 | 0 | 0 | 118.3 | | |
| 412 | E | 35.6 | Very low | 34.7 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | trans | -116.4 | 106.5 | 156.8 | -76.5 | -172.7 | 163.4 | 0 | 0 | 109.7 | C414 | E412-C414 PolarHBondContact O-N 2.97Š|
| 413 | S | 32.4 | Very low | 34.9 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | | | trans | -78 | 98.5 | -171.8 | 33.9 | 0 | 0 | 0 | 0 | 112.5 | T415 | S413-T415 VanDerWaalsContact C-N 3.25Å; S413-T415 PolarHBondContact O-N 3.4Å |
| 414 | C | 31.6 | Very low | 35.4 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | | | trans | -74.2 | 73 | 172 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | E412 G416 | E412-C414 PolarHBondContact O-N 2.97Å; C414-G416 PolarHBondContact O-N 3.18Å |
| 415 | T | 38.1 | Very low | 35.9 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | | | trans | -71.4 | 115.2 | 173.7 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | S413 | S413-T415 VanDerWaalsContact C-N 3.25Å; S413-T415 PolarHBondContact O-N 3.4Å |
| 416 | G | 33.5 | Very low | 36.9 | Very low | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | | | trans | 71.3 | 148.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117 | C414 D418 | C414-G416 PolarHBondContact O-N 3.18Å; G416-D418 PolarHBondContact O-N 3.36Å |
| 417 | P | 35.3 | Very low | 38 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 83% | 0.825 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -79.5 | -3 | 170.8 | 34.1 | -34.4 | 0 | 0 | 0 | 113.3 | | |
| 418 | D | 30.5 | Very low | 39.3 | Very low | 133 Ų | 133 | 115.6 Ų | 115.6 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -104.4 | 128.5 | -165.6 | -63.5 | -59.6 | 0 | 0 | 0 | 113.5 | G416 | G416-D418 PolarHBondContact O-N 3.36Š|
| 419 | S | 31 | Very low | 41.1 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 77 | 159.3 | 174.9 | 84.6 | 0 | 0 | 0 | 0 | 118.7 | C421 | S419-C421 PolarHBondContact O-N 3.01Š|
| 420 | S | 37.3 | Very low | 42.8 | Very low | 116 Ų | 116 | 115.1 Ų | 115.1 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 63 | -50.3 | 169.4 | -157 | 0 | 0 | 0 | 0 | 120.5 | R422 | S420-R422 PolarHBondContact O-N 2.87Š|
| 421 | C | 38.4 | Very low | 44.8 | Very low | 81 Ų | 81 | 117 Ų | 117 | 55% | 0.547 | 67% | 0.673 | S | S | . | * | | | trans | -67.4 | 16.3 | -153.6 | -64 | 0 | 0 | 0 | 0 | 119.4 | S419 G423 H424 | S419-C421 PolarHBondContact O-N 3.01Å; C421-G423 PolarHBondContact O-N 3.41Å; C421-H424 PolarHBondContact O-N 2.96Å |
| 422 | R | 38.5 | Very low | 46.5 | Very low | 242 Ų | 242 | 112.3 Ų | 112.3 | 91% | 0.913 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -19.1 | -172.5 | -142 | 179.5 | -162.3 | -138.8 | 5.1 | 114.8 | S420 | S420-R422 PolarHBondContact O-N 2.87Š|
| 423 | G | 39.3 | Very low | 48.6 | Very low | 52 Ų | 52 | 108.5 Ų | 108.5 | 54% | 0.536 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | -9.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | C421 | C421-G423 PolarHBondContact O-N 3.41Š|
| 424 | H | 45.7 | Very low | 50.6 | Low | 118 Ų | 118 | 108.7 Ų | 108.7 | 55% | 0.546 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | -28.1 | -175.4 | -78.9 | -8.3 | 0 | 0 | 0 | 114.5 | C421 P426 N427 H428 | C421-H424 PolarHBondContact O-N 2.96Å; H424-P426 VanDerWaalsContact C-CD 3.48Å; H424-P426 VanDerWaalsContact C-N 3.34Å; H424-N427 PolarHBondContact O-N 3.17Å; H424-H428 PolarHBondContact O-N 2.97Å |
| 425 | V | 42.2 | Very low | 52.7 | Low | 104 Ų | 104 | 104.1 Ų | 104.1 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -53.7 | -43 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | N427 L429 | V425-N427 PolarHBondContact O-N 3.11Å; V425-L429 WeakPolarHBondContact O-CB 3.28Å; V425-L429 PolarHBondContact O-N 2.94Å; V425-L429 VanDerWaalsContact O-N 3.09Å |
| 426 | P | 54.6 | Low | 54.5 | Low | 69 Ų | 69 | 100.8 Ų | 100.8 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.5 | -40.6 | 175 | -22.9 | 34.9 | 0 | 0 | 0 | 113.2 | H424 L429 L430 | H424-P426 VanDerWaalsContact C-CD 3.48Å; H424-P426 VanDerWaalsContact C-N 3.34Å; P426-L429 PolarHBondContact O-N 3.12Å; P426-L430 WeakPolarHBondContact O-CB 3.16Å; P426-L430 VanDerWaalsContact O-CG 3.29Å; P426-L430 WeakPolarHBondContact O-CG 3.31Å; P426-L430 PolarHBondContact O-N 3.25Å |
| 427 | N | 57.1 | Low | 56.7 | Low | 88 Ų | 88 | 101.4 Ų | 101.4 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72 | -37.5 | -176.7 | -72.7 | -6.7 | 0 | 0 | 0 | 112.4 | H424 V425 L430 K431 | H424-N427 PolarHBondContact O-N 3.17Å; V425-N427 PolarHBondContact O-N 3.11Å; N427-L430 PolarHBondContact O-N 3.37Å; N427-K431 WeakPolarHBondContact O-CB 3.43Å; N427-K431 WeakPolarHBondContact O-CG 3.33Å; N427-K431 PolarHBondContact O-N 3.41Å |
| 428 | H | 62.2 | Low | 58.8 | Low | 105 Ų | 105 | 102.5 Ų | 102.5 | 49% | 0.486 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.6 | -40.7 | 170.4 | -82.7 | -91.3 | 0 | 0 | 0 | 111.7 | H424 K431 A432 | H424-H428 PolarHBondContact O-N 2.97Å; H428-K431 PolarHBondContact O-N 3.09Å; H428-A432 VanDerWaalsContact O-CB 3.32Å; H428-A432 WeakPolarHBondContact O-CB 3.43Å; H428-A432 PolarHBondContact O-N 2.96Å |
| 429 | L | 73 | Confident | 61 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 63% | 0.628 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.2 | -41.7 | 177 | -152 | 78.7 | 0 | 0 | 0 | 111.6 | V425 P426 A432 V433 | V425-L429 WeakPolarHBondContact O-CB 3.28Å; V425-L429 PolarHBondContact O-N 2.94Å; V425-L429 VanDerWaalsContact O-N 3.09Å; P426-L429 PolarHBondContact O-N 3.12Å; L429-A432 PolarHBondContact O-N 3.37Å; L429-V433 WeakPolarHBondContact O-CB 3.36Å; L429-V433 VanDerWaalsContact O-CG2 3.27Å; L429-V433 WeakPolarHBondContact O-CG2 3.28Å; L429-V433 PolarHBondContact O-N 3Å |
| 430 | L | 73.8 | Confident | 63.3 | Low | 114 Ų | 114 | 100 Ų | 100 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -50 | 175.2 | -74.8 | 166.7 | 0 | 0 | 0 | 111.9 | P426 N427 A432 V433 E434 | P426-L430 WeakPolarHBondContact O-CB 3.16Å; P426-L430 VanDerWaalsContact O-CG 3.29Å; P426-L430 WeakPolarHBondContact O-CG 3.31Å; P426-L430 PolarHBondContact O-N 3.25Å; N427-L430 PolarHBondContact O-N 3.37Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 3.04Å; L430-V433 PolarHBondContact O-N 2.99Å; L430-E434 WeakPolarHBondContact O-CB 3.35Å; L430-E434 PolarHBondContact O-N 2.76Å |
| 431 | K | 74.4 | Confident | 65.3 | Low | 141 Ų | 141 | 102.6 Ų | 102.6 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.8 | -42.8 | 175.3 | -76.6 | -179.1 | 177 | -179.4 | 0 | 111.8 | N427 H428 E434 G435 | N427-K431 WeakPolarHBondContact O-CB 3.43Å; N427-K431 WeakPolarHBondContact O-CG 3.33Å; N427-K431 PolarHBondContact O-N 3.41Å; H428-K431 PolarHBondContact O-N 3.09Å; K431-E434 PolarHBondContact O-N 3.4Å; K431-G435 PolarHBondContact O-N 3.06Å |
| 432 | A | 72.5 | Confident | 67.2 | Low | 64 Ų | 64 | 103.1 Ų | 103.1 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H428 L429 L430 G435 A436 | H428-A432 VanDerWaalsContact O-CB 3.32Å; H428-A432 WeakPolarHBondContact O-CB 3.43Å; H428-A432 PolarHBondContact O-N 2.96Å; L429-A432 PolarHBondContact O-N 3.37Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 3.04Å; A432-G435 PolarHBondContact O-N 3.45Å; A432-A436 WeakPolarHBondContact O-CB 3.3Å; A432-A436 PolarHBondContact O-N 3.03Å |
| 433 | V | 78.5 | Confident | 69.3 | Low | 79 Ų | 79 | 96.8 Ų | 96.8 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 175.1 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | L429 L430 A436 I437 | L429-V433 WeakPolarHBondContact O-CB 3.36Å; L429-V433 VanDerWaalsContact O-CG2 3.27Å; L429-V433 WeakPolarHBondContact O-CG2 3.28Å; L429-V433 PolarHBondContact O-N 3Å; L430-V433 PolarHBondContact O-N 2.99Å; V433-A436 PolarHBondContact O-N 3.15Å; V433-I437 HydrophobicContact CG1-CD1 3.76Å; V433-I437 HydrophobicContact CG1-CG1 4.46Å; V433-I437 VanDerWaalsContact O-CG1 3.27Å; V433-I437 WeakPolarHBondContact O-CG1 3.36Å; V433-I437 PolarHBondContact O-N 3.18Å |
| 434 | E | 75.7 | Confident | 71.1 | Confident | 112 Ų | 112 | 97.3 Ų | 97.3 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.8 | -165.2 | -165.6 | 149.1 | 0 | 0 | 111.6 | L430 K431 A436 I437 R438 | L430-E434 WeakPolarHBondContact O-CB 3.35Å; L430-E434 PolarHBondContact O-N 2.76Å; K431-E434 PolarHBondContact O-N 3.4Å; E434-A436 PolarHBondContact O-N 3.1Å; E434-I437 PolarHBondContact O-N 2.96Å; E434-R438 WeakPolarHBondContact O-CG 3.39Å; E434-R438 PolarHBondContact O-N 3.05Å |
| 435 | G | 76.2 | Confident | 72.7 | Confident | 30 Ų | 30 | 95.2 Ų | 95.2 | 31% | 0.309 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K431 A432 I437 R438 L439 | K431-G435 PolarHBondContact O-N 3.06Å; A432-G435 PolarHBondContact O-N 3.45Å; G435-I437 PolarHBondContact O-N 2.84Å; G435-R438 PolarHBondContact O-N 3.14Å; G435-L439 WeakPolarHBondContact O-CG 3.33Å; G435-L439 PolarHBondContact O-N 2.75Å |
| 436 | A | 76.1 | Confident | 74.5 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A432 V433 E434 S440 | A432-A436 WeakPolarHBondContact O-CB 3.3Å; A432-A436 PolarHBondContact O-N 3.03Å; V433-A436 PolarHBondContact O-N 3.15Å; E434-A436 PolarHBondContact O-N 3.1Å; A436-S440 VanDerWaalsContact O-CB 3.25Å; A436-S440 WeakPolarHBondContact O-CB 3.23Å; A436-S440 PolarHBondContact O-N 2.97Å; A436-S440 PolarHBondContact O-OG 3.02Å |
| 437 | I | 77.8 | Confident | 75.7 | Confident | 75 Ų | 75 | 95.5 Ų | 95.5 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 174.5 | -71.5 | 165.3 | 0 | 0 | 0 | 111 | V433 E434 G435 S440 R441 | V433-I437 HydrophobicContact CG1-CD1 3.76Å; V433-I437 HydrophobicContact CG1-CG1 4.46Å; V433-I437 VanDerWaalsContact O-CG1 3.27Å; V433-I437 WeakPolarHBondContact O-CG1 3.36Å; V433-I437 PolarHBondContact O-N 3.18Å; E434-I437 PolarHBondContact O-N 2.96Å; G435-I437 PolarHBondContact O-N 2.84Å; I437-S440 PolarHBondContact O-N 3.24Å; I437-R441 WeakPolarHBondContact O-CG 3.5Å; I437-R441 PolarHBondContact O-N 3.49Å |
| 438 | R | 79.2 | Confident | 76.6 | Confident | 149 Ų | 149 | 97.8 Ų | 97.8 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -53.7 | 176.3 | -73.8 | 173.2 | 59.3 | 176.8 | -4.3 | 111.5 | E434 G435 S440 R441 D442 | E434-R438 WeakPolarHBondContact O-CG 3.39Å; E434-R438 PolarHBondContact O-N 3.05Å; G435-R438 PolarHBondContact O-N 3.14Å; R438-S440 PolarHBondContact O-N 3.43Å; R438-R441 WeakPolarHBondContact O-CA 3.44Å; R438-R441 WeakPolarHBondContact O-CB 3.2Å; R438-R441 PolarHBondContact O-N 3.41Å; R438-D442 PolarHBondContact O-N 2.92Å |
| 439 | L | 77.4 | Confident | 77.3 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.2 | -37.6 | 176.1 | -68.8 | 170.9 | 0 | 0 | 0 | 112.5 | G435 D442 H443 | G435-L439 WeakPolarHBondContact O-CG 3.33Å; G435-L439 PolarHBondContact O-N 2.75Å; L439-D442 PolarHBondContact O-N 2.95Å; L439-H443 WeakPolarHBondContact O-CB 3.4Å; L439-H443 PolarHBondContact O-N 3.02Å |
| 440 | S | 78.8 | Confident | 77.4 | Confident | 79 Ų | 79 | 98.5 Ų | 98.5 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.5 | -37.4 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | A436 I437 R438 H444 | A436-S440 VanDerWaalsContact O-CB 3.25Å; A436-S440 WeakPolarHBondContact O-CB 3.23Å; A436-S440 PolarHBondContact O-N 2.97Å; A436-S440 PolarHBondContact O-OG 3.02Å; I437-S440 PolarHBondContact O-N 3.24Å; R438-S440 PolarHBondContact O-N 3.43Å; S440-H444 WeakPolarHBondContact O-CB 3.44Å; S440-H444 PolarHBondContact O-N 3Å |
| 441 | R | 79.8 | Confident | 77.3 | Confident | 169 Ų | 169 | 97.4 Ų | 97.4 | 64% | 0.638 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -49.5 | 172.9 | -77.7 | 173.5 | 167.6 | 160.7 | -3.2 | 110.9 | I437 R438 H443 H444 T445 | I437-R441 WeakPolarHBondContact O-CG 3.5Å; I437-R441 PolarHBondContact O-N 3.49Å; R438-R441 WeakPolarHBondContact O-CA 3.44Å; R438-R441 WeakPolarHBondContact O-CB 3.2Å; R438-R441 PolarHBondContact O-N 3.41Å; R441-H443 PolarHBondContact O-N 3.27Å; R441-H444 WeakPolarHBondContact O-CA 3.45Å; R441-H444 WeakPolarHBondContact O-CB 3.4Å; R441-H444 PolarHBondContact O-N 2.92Å; R441-T445 PolarHBondContact O-N 3.04Å; R441-T445 PolarHBondContact O-OG1 2.81Å; R441-T445 VanDerWaalsContact O-OG1 3.1Å |
| 442 | D | 77.9 | Confident | 77.1 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | -175.6 | -62 | -24.2 | 0 | 0 | 0 | 111.7 | R438 L439 H444 T445 V446 | R438-D442 PolarHBondContact O-N 2.92Å; L439-D442 PolarHBondContact O-N 2.95Å; D442-H444 VanDerWaalsContact C-N 3.28Å; D442-H444 PolarHBondContact O-N 3.49Å; D442-T445 WeakPolarHBondContact O-CB 3.27Å; D442-T445 PolarHBondContact O-N 3.14Å; D442-T445 VanDerWaalsContact O-N 3.11Å; D442-V446 PolarHBondContact O-N 3.4Å |
| 443 | H | 82.5 | Confident | 77 | Confident | 108 Ų | 108 | 92.3 Ų | 92.3 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -33.6 | 173.8 | 167.2 | -115.2 | 0 | 0 | 0 | 112.6 | L439 R441 R447 | L439-H443 WeakPolarHBondContact O-CB 3.4Å; L439-H443 PolarHBondContact O-N 3.02Å; R441-H443 PolarHBondContact O-N 3.27Å; H443-R447 PolarHBondContact CE1-NH2 3.33Å; H443-R447 PolarHBondContact NE2-NH2 3.06Å; H443-R447 VanDerWaalsContact NE2-NH2 3.15Å; H443-R447 VanDerWaalsContact O-CB 3.31Å; H443-R447 WeakPolarHBondContact O-CB 3.34Å; H443-R447 PolarHBondContact O-N 2.78Å |
| 444 | H | 77.5 | Confident | 76.5 | Confident | 64 Ų | 64 | 92.2 Ų | 92.2 | 30% | 0.296 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.8 | -35 | 174.5 | -161 | -24.2 | 0 | 0 | 0 | 112.2 | Y124 S440 R441 D442 R447 R448 | Y124-H444 AromaticContact CD1-NE2 3.97Å; Y124-H444 AromaticContact CE1-NE2 3.77Å; S440-H444 WeakPolarHBondContact O-CB 3.44Å; S440-H444 PolarHBondContact O-N 3Å; R441-H444 WeakPolarHBondContact O-CA 3.45Å; R441-H444 WeakPolarHBondContact O-CB 3.4Å; R441-H444 PolarHBondContact O-N 2.92Å; D442-H444 VanDerWaalsContact C-N 3.28Å; D442-H444 PolarHBondContact O-N 3.49Å; H444-R447 PolarHBondContact O-N 3.1Å; H444-R448 WeakPolarHBondContact O-CG 3.25Å; H444-R448 PolarHBondContact O-N 3.48Å |
| 445 | T | 80.5 | Confident | 76 | Confident | 74 Ų | 74 | 90 Ų | 90 | 45% | 0.454 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65 | -49.6 | 174.8 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | R441 D442 R447 R448 Q449 | R441-T445 PolarHBondContact O-N 3.04Å; R441-T445 PolarHBondContact O-OG1 2.81Å; R441-T445 VanDerWaalsContact O-OG1 3.1Å; D442-T445 WeakPolarHBondContact O-CB 3.27Å; D442-T445 PolarHBondContact O-N 3.14Å; D442-T445 VanDerWaalsContact O-N 3.11Å; T445-R447 VanDerWaalsContact C-N 3.3Å; T445-R447 PolarHBondContact O-N 3.11Å; T445-R448 WeakPolarHBondContact O-CB 3.47Å; T445-R448 PolarHBondContact O-N 2.68Å; T445-R448 VanDerWaalsContact O-N 3.09Å; T445-Q449 PolarHBondContact O-N 2.96Å |
| 446 | V | 78.8 | Confident | 75.3 | Confident | 64 Ų | 64 | 93.1 Ų | 93.1 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | D442 R448 Q449 H450 | D442-V446 PolarHBondContact O-N 3.4Å; V446-R448 PolarHBondContact O-N 3.06Å; V446-Q449 PolarHBondContact O-N 2.78Å; V446-H450 WeakPolarHBondContact O-CB 3.46Å; V446-H450 PolarHBondContact O-N 3.05Å |
| 447 | R | 79.9 | Confident | 74.2 | Confident | 114 Ų | 114 | 94.1 Ų | 94.1 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 176.2 | -174.2 | 175.5 | -69 | -164.3 | -4.9 | 113 | H443 H444 T445 N451 | H443-R447 PolarHBondContact CE1-NH2 3.33Å; H443-R447 PolarHBondContact NE2-NH2 3.06Å; H443-R447 VanDerWaalsContact NE2-NH2 3.15Å; H443-R447 VanDerWaalsContact O-CB 3.31Å; H443-R447 WeakPolarHBondContact O-CB 3.34Å; H443-R447 PolarHBondContact O-N 2.78Å; H444-R447 PolarHBondContact O-N 3.1Å; T445-R447 VanDerWaalsContact C-N 3.3Å; T445-R447 PolarHBondContact O-N 3.11Å; R447-N451 WeakPolarHBondContact O-CB 3.4Å; R447-N451 PolarHBondContact O-N 3.21Å; R447-N451 PolarHBondContact O-OD1 2.91Å |
| 448 | R | 76.8 | Confident | 72.9 | Confident | 136 Ų | 136 | 100.2 Ų | 100.2 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 173.2 | -75.9 | -179.6 | -173 | -121.5 | 4.2 | 111.2 | Y124 H444 T445 V446 N451 A452 | Y124-R448 VanDerWaalsContact CZ-NH2 3.33Å; Y124-R448 PolarHBondContact OH-NH2 2.95Å; Y124-R448 VanDerWaalsContact OH-NH2 3.12Å; H444-R448 WeakPolarHBondContact O-CG 3.25Å; H444-R448 PolarHBondContact O-N 3.48Å; T445-R448 WeakPolarHBondContact O-CB 3.47Å; T445-R448 PolarHBondContact O-N 2.68Å; T445-R448 VanDerWaalsContact O-N 3.09Å; V446-R448 PolarHBondContact O-N 3.06Å; R448-N451 PolarHBondContact O-N 3.19Å; R448-A452 WeakPolarHBondContact O-CB 3.42Å; R448-A452 PolarHBondContact O-N 3.06Å |
| 449 | Q | 76.3 | Confident | 71.7 | Confident | 126 Ų | 126 | 97.7 Ų | 97.7 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.2 | -47.9 | 178.5 | -70.1 | 171.3 | -25.5 | 0 | 0 | 111.6 | T445 V446 N451 A452 A453 | T445-Q449 PolarHBondContact O-N 2.96Å; V446-Q449 PolarHBondContact O-N 2.78Å; Q449-N451 PolarHBondContact O-N 2.95Å; Q449-A452 PolarHBondContact O-N 3.47Å; Q449-A452 VanDerWaalsContact O-N 3.16Å; Q449-A453 PolarHBondContact O-N 3.2Å |
| 450 | H | 74.4 | Confident | 70.2 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.2 | -178.4 | -108.5 | 0 | 0 | 0 | 112.6 | V446 N454 | V446-H450 WeakPolarHBondContact O-CB 3.46Å; V446-H450 PolarHBondContact O-N 3.05Å; H450-N454 PolarHBondContact CE1-ND2 3.21Å; H450-N454 PolarHBondContact ND1-ND2 2.88Å; H450-N454 PolarHBondContact NE2-ND2 3.02Å; H450-N454 VanDerWaalsContact NE2-ND2 3.13Å; H450-N454 WeakPolarHBondContact O-CB 3.49Å; H450-N454 PolarHBondContact O-N 2.92Å; H450-N454 PolarHBondContact O-ND2 3.46Å |
| 451 | N | 71.8 | Confident | 68.5 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 175.4 | -74 | -0.9 | 0 | 0 | 0 | 112.6 | R447 R448 Q449 S455 | R447-N451 WeakPolarHBondContact O-CB 3.4Å; R447-N451 PolarHBondContact O-N 3.21Å; R447-N451 PolarHBondContact O-OD1 2.91Å; R448-N451 PolarHBondContact O-N 3.19Å; Q449-N451 PolarHBondContact O-N 2.95Å; N451-S455 WeakPolarHBondContact O-CB 3.37Å; N451-S455 PolarHBondContact O-N 3.22Å |
| 452 | A | 71.3 | Confident | 67.2 | Low | 53 Ų | 53 | 97.9 Ų | 97.9 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R448 Q449 N454 S455 I456 | R448-A452 WeakPolarHBondContact O-CB 3.42Å; R448-A452 PolarHBondContact O-N 3.06Å; Q449-A452 PolarHBondContact O-N 3.47Å; Q449-A452 VanDerWaalsContact O-N 3.16Å; A452-N454 PolarHBondContact O-N 2.96Å; A452-S455 WeakPolarHBondContact O-CB 3.39Å; A452-S455 PolarHBondContact O-N 3.04Å; A452-I456 WeakPolarHBondContact O-CG1 3.42Å; A452-I456 PolarHBondContact O-N 3.48Å |
| 453 | A | 69.8 | Low | 65.8 | Low | 46 Ų | 46 | 101.3 Ų | 101.3 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q449 S455 I456 H457 | Q449-A453 PolarHBondContact O-N 3.2Å; A453-S455 VanDerWaalsContact C-N 3.34Å; A453-S455 PolarHBondContact O-N 3.39Å; A453-I456 PolarHBondContact O-N 3.34Å; A453-H457 PolarHBondContact O-CD2 3.48Å; A453-H457 PolarHBondContact O-N 3.29Å |
| 454 | N | 67.4 | Low | 64 | Low | 77 Ų | 77 | 101.9 Ų | 101.9 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -32.2 | 177.5 | -75.6 | -44.2 | 0 | 0 | 0 | 113.3 | H450 A452 H457 R458 | H450-N454 PolarHBondContact CE1-ND2 3.21Å; H450-N454 PolarHBondContact ND1-ND2 2.88Å; H450-N454 PolarHBondContact NE2-ND2 3.02Å; H450-N454 VanDerWaalsContact NE2-ND2 3.13Å; H450-N454 WeakPolarHBondContact O-CB 3.49Å; H450-N454 PolarHBondContact O-N 2.92Å; H450-N454 PolarHBondContact O-ND2 3.46Å; A452-N454 PolarHBondContact O-N 2.96Å; N454-H457 PolarHBondContact O-N 3.2Å; N454-R458 WeakPolarHBondContact O-CB 3.44Å; N454-R458 PolarHBondContact O-N 2.92Å |
| 455 | S | 66.8 | Low | 62.4 | Low | 65 Ų | 65 | 103.3 Ų | 103.3 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 171.6 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | N451 A452 A453 R458 N459 | N451-S455 WeakPolarHBondContact O-CB 3.37Å; N451-S455 PolarHBondContact O-N 3.22Å; A452-S455 WeakPolarHBondContact O-CB 3.39Å; A452-S455 PolarHBondContact O-N 3.04Å; A453-S455 VanDerWaalsContact C-N 3.34Å; A453-S455 PolarHBondContact O-N 3.39Å; S455-R458 PolarHBondContact O-N 3.3Å; S455-N459 WeakPolarHBondContact O-CB 3.49Å; S455-N459 PolarHBondContact O-N 2.77Å; S455-N459 PolarHBondContact O-ND2 2.95Å; S455-N459 VanDerWaalsContact O-ND2 3.16Å |
| 456 | I | 60.1 | Low | 60.5 | Low | 96 Ų | 96 | 105.6 Ų | 105.6 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.7 | -65.3 | 164.5 | 0 | 0 | 0 | 110.7 | A452 A453 N459 R460 | A452-I456 WeakPolarHBondContact O-CG1 3.42Å; A452-I456 PolarHBondContact O-N 3.48Å; A453-I456 PolarHBondContact O-N 3.34Å; I456-N459 PolarHBondContact O-N 2.87Å; I456-R460 WeakPolarHBondContact O-CG 3.41Å; I456-R460 PolarHBondContact O-N 3.03Å |
| 457 | H | 54.2 | Low | 58.7 | Low | 72 Ų | 72 | 111.7 Ų | 111.7 | 33% | 0.333 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 175.4 | -87.6 | -79.3 | 0 | 0 | 0 | 112.6 | A453 N454 N459 R460 Y461 | A453-H457 PolarHBondContact O-CD2 3.48Å; A453-H457 PolarHBondContact O-N 3.29Å; N454-H457 PolarHBondContact O-N 3.2Å; H457-N459 VanDerWaalsContact C-N 3.31Å; H457-N459 PolarHBondContact O-N 3.06Å; H457-R460 PolarHBondContact O-N 3.04Å; H457-R460 VanDerWaalsContact O-N 3.12Å; H457-Y461 AromaticContact ND1-CE2 3.95Å; H457-Y461 VanDerWaalsContact O-CD2 3.3Å; H457-Y461 WeakPolarHBondContact O-CD2 3.48Å; H457-Y461 PolarHBondContact O-N 3.49Å |
| 458 | R | 50 | Low | 56.8 | Low | 202 Ų | 202 | 110.1 Ų | 110.1 | 76% | 0.762 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | -178.9 | -160.4 | 171.3 | -168.5 | 157.3 | 2.3 | 111.9 | N454 S455 S462 | N454-R458 WeakPolarHBondContact O-CB 3.44Å; N454-R458 PolarHBondContact O-N 2.92Å; S455-R458 PolarHBondContact O-N 3.3Å; R458-S462 VanDerWaalsContact O-CB 3.28Å; R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-N 3.4Å |
| 459 | N | 54.8 | Low | 55 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.8 | -33.4 | 174.2 | -76.1 | -36.1 | 0 | 0 | 0 | 113.4 | S455 I456 H457 K463 | S455-N459 WeakPolarHBondContact O-CB 3.49Å; S455-N459 PolarHBondContact O-N 2.77Å; S455-N459 PolarHBondContact O-ND2 2.95Å; S455-N459 VanDerWaalsContact O-ND2 3.16Å; I456-N459 PolarHBondContact O-N 2.87Å; H457-N459 VanDerWaalsContact C-N 3.31Å; H457-N459 PolarHBondContact O-N 3.06Å; N459-K463 WeakPolarHBondContact O-CG 3.45Å; N459-K463 PolarHBondContact O-N 2.85Å |
| 460 | R | 44.7 | Very low | 53.4 | Low | 170 Ų | 170 | 112.6 Ų | 112.6 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.9 | -50.7 | 171.7 | -72.3 | -179.1 | -172.2 | 179.2 | 4 | 111.4 | I456 H457 K463 H464 | I456-R460 WeakPolarHBondContact O-CG 3.41Å; I456-R460 PolarHBondContact O-N 3.03Å; H457-R460 PolarHBondContact O-N 3.04Å; H457-R460 VanDerWaalsContact O-N 3.12Å; R460-K463 PolarHBondContact O-N 3Å; R460-H464 PolarHBondContact O-N 3.41Å |
| 461 | Y | 43.3 | Very low | 52 | Low | 146 Ų | 146 | 110.1 Ų | 110.1 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | -178.1 | -75.8 | -65 | 0 | 0 | 0 | 113.2 | H457 H464 L465 | H457-Y461 AromaticContact ND1-CE2 3.95Å; H457-Y461 VanDerWaalsContact O-CD2 3.3Å; H457-Y461 WeakPolarHBondContact O-CD2 3.48Å; H457-Y461 PolarHBondContact O-N 3.49Å; Y461-H464 PolarHBondContact O-N 3.44Å; Y461-L465 WeakPolarHBondContact O-CG 3.26Å; Y461-L465 PolarHBondContact O-N 3.2Å |
| 462 | S | 53 | Low | 50.6 | Low | 48 Ų | 48 | 111.4 Ų | 111.4 | 34% | 0.336 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 172.4 | 165.8 | 0 | 0 | 0 | 0 | 111.6 | R458 H464 L465 H466 | R458-S462 VanDerWaalsContact O-CB 3.28Å; R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-N 3.4Å; S462-H464 VanDerWaalsContact C-N 3.27Å; S462-H464 PolarHBondContact O-N 3.42Å; S462-L465 PolarHBondContact O-N 2.9Å; S462-H466 PolarHBondContact O-CD2 3.43Å; S462-H466 PolarHBondContact O-N 3.45Å; S462-H466 PolarHBondContact OG-CD2 2.91Å; S462-H466 PolarHBondContact OG-NE2 3.4Å |
| 463 | K | 48.7 | Very low | 49.3 | Very low | 165 Ų | 165 | 113.6 Ų | 113.6 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -32.1 | 176.5 | -75.3 | -174.8 | 176.5 | -171.3 | 0 | 113.2 | N459 R460 R467 | N459-K463 WeakPolarHBondContact O-CG 3.45Å; N459-K463 PolarHBondContact O-N 2.85Å; R460-K463 PolarHBondContact O-N 3Å; K463-R467 WeakPolarHBondContact O-CB 3.43Å; K463-R467 PolarHBondContact O-N 2.99Å |
| 464 | H | 43.6 | Very low | 47.9 | Very low | 120 Ų | 120 | 118.2 Ų | 118.2 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -74.2 | -42.9 | 177.1 | -140.9 | -11.3 | 0 | 0 | 0 | 112 | R460 Y461 S462 R467 N468 | R460-H464 PolarHBondContact O-N 3.41Å; Y461-H464 PolarHBondContact O-N 3.44Å; S462-H464 VanDerWaalsContact C-N 3.27Å; S462-H464 PolarHBondContact O-N 3.42Å; H464-R467 PolarHBondContact O-N 3.49Å; H464-N468 PolarHBondContact O-N 2.68Å; H464-N468 VanDerWaalsContact O-N 3.16Å; H464-N468 PolarHBondContact O-OD1 2.75Å |
| 465 | L | 43.5 | Very low | 46.9 | Very low | 95 Ų | 95 | 120 Ų | 120 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.2 | -47.9 | 176.3 | -74.2 | 167.5 | 0 | 0 | 0 | 111.9 | Y461 S462 R467 N468 Y469 | Y461-L465 WeakPolarHBondContact O-CG 3.26Å; Y461-L465 PolarHBondContact O-N 3.2Å; S462-L465 PolarHBondContact O-N 2.9Å; L465-R467 VanDerWaalsContact C-N 3.27Å; L465-R467 PolarHBondContact O-N 2.92Å; L465-N468 PolarHBondContact O-N 3.1Å; L465-Y469 HydrophobicContact CB-CD2 4.45Å; L465-Y469 HydrophobicContact CB-CE2 4.49Å; L465-Y469 HydrophobicContact CD2-CE2 4.31Å; L465-Y469 WeakPolarHBondContact O-CD2 3.33Å; L465-Y469 PolarHBondContact O-N 3.1Å |
| 466 | H | 42.4 | Very low | 45.7 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.9 | -36.4 | 177.7 | -71.5 | -58.5 | 0 | 0 | 0 | 112.5 | S462 Q470 | S462-H466 PolarHBondContact O-CD2 3.43Å; S462-H466 PolarHBondContact O-N 3.45Å; S462-H466 PolarHBondContact OG-CD2 2.91Å; S462-H466 PolarHBondContact OG-NE2 3.4Å; H466-Q470 VanDerWaalsContact O-CB 3.32Å; H466-Q470 WeakPolarHBondContact O-CB 3.41Å; H466-Q470 PolarHBondContact O-N 2.87Å |
| 467 | R | 39 | Very low | 45 | Very low | 192 Ų | 192 | 126.9 Ų | 126.9 | 73% | 0.725 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.2 | -39.8 | 176.7 | -158.1 | 172.7 | -165.5 | 174.9 | 3.1 | 112.1 | K463 H464 L465 Q470 T471 | K463-R467 WeakPolarHBondContact O-CB 3.43Å; K463-R467 PolarHBondContact O-N 2.99Å; H464-R467 PolarHBondContact O-N 3.49Å; L465-R467 VanDerWaalsContact C-N 3.27Å; L465-R467 PolarHBondContact O-N 2.92Å; R467-Q470 PolarHBondContact O-N 2.71Å; R467-T471 PolarHBondContact O-N 3.02Å; R467-T471 PolarHBondContact O-OG1 3.26Å |
| 468 | N | 40.2 | Very low | 44.2 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 43% | 0.428 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.1 | -42.5 | 178.5 | -65.8 | 12.7 | 0 | 0 | 0 | 112 | H464 L465 Q470 T471 H472 | H464-N468 PolarHBondContact O-N 2.68Å; H464-N468 VanDerWaalsContact O-N 3.16Å; H464-N468 PolarHBondContact O-OD1 2.75Å; L465-N468 PolarHBondContact O-N 3.1Å; N468-Q470 PolarHBondContact O-N 3.48Å; N468-T471 WeakPolarHBondContact CA-OG1 3.27Å; N468-T471 PolarHBondContact O-N 2.97Å; N468-T471 PolarHBondContact O-OG1 3.08Å; N468-H472 PolarHBondContact O-CD2 3.33Å; N468-H472 PolarHBondContact O-N 3.12Å |
| 469 | Y | 40.4 | Very low | 43.7 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 66% | 0.663 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.5 | -30 | 175.1 | -79.4 | -64.7 | 0 | 0 | 0 | 112.9 | L465 | L465-Y469 HydrophobicContact CB-CD2 4.45Å; L465-Y469 HydrophobicContact CB-CE2 4.49Å; L465-Y469 HydrophobicContact CD2-CE2 4.31Å; L465-Y469 WeakPolarHBondContact O-CD2 3.33Å; L465-Y469 PolarHBondContact O-N 3.1Å |
| 470 | Q | 43.2 | Very low | 42.6 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.1 | -25.4 | 178.2 | -162.9 | 148.5 | 23.5 | 0 | 0 | 113.5 | H466 R467 N468 T473 | H466-Q470 VanDerWaalsContact O-CB 3.32Å; H466-Q470 WeakPolarHBondContact O-CB 3.41Å; H466-Q470 PolarHBondContact O-N 2.87Å; R467-Q470 PolarHBondContact O-N 2.71Å; N468-Q470 PolarHBondContact O-N 3.48Å; Q470-T473 PolarHBondContact O-OG1 3.05Å |
| 471 | T | 44.7 | Very low | 42.1 | Very low | 62 Ų | 62 | 125.1 Ų | 125.1 | 38% | 0.38 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74 | -27.8 | 170.4 | 44.2 | 0 | 0 | 0 | 0 | 113.4 | R467 N468 T473 E474 I475 | R467-T471 PolarHBondContact O-N 3.02Å; R467-T471 PolarHBondContact O-OG1 3.26Å; N468-T471 WeakPolarHBondContact CA-OG1 3.27Å; N468-T471 PolarHBondContact O-N 2.97Å; N468-T471 PolarHBondContact O-OG1 3.08Å; T471-T473 PolarHBondContact O-N 2.9Å; T471-E474 PolarHBondContact O-N 2.91Å; T471-I475 WeakPolarHBondContact O-CG1 3.5Å; T471-I475 PolarHBondContact O-N 3.49Å |
| 472 | H | 40.8 | Very low | 41.5 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 55% | 0.551 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -22 | -179.2 | -78.7 | -57.5 | 0 | 0 | 0 | 114.1 | N468 S476 | N468-H472 PolarHBondContact O-CD2 3.33Å; N468-H472 PolarHBondContact O-N 3.12Å; H472-S476 PolarHBondContact O-OG 3.44Å |
| 473 | T | 45.2 | Very low | 40.4 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 60% | 0.601 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -14.8 | 175.4 | 22.5 | 0 | 0 | 0 | 0 | 114.8 | Q470 T471 | Q470-T473 PolarHBondContact O-OG1 3.05Å; T471-T473 PolarHBondContact O-N 2.9Å |
| 474 | E | 39.9 | Very low | 39.8 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -33.1 | 174.7 | -68.8 | -174.8 | 146.3 | 0 | 0 | 111.9 | T471 S476 R477 | T471-E474 PolarHBondContact O-N 2.91Å; E474-S476 PolarHBondContact O-N 2.88Å; E474-S476 VanDerWaalsContact O-N 3.16Å; E474-R477 PolarHBondContact O-N 2.84Å; E474-R477 VanDerWaalsContact O-N 3.1Å |
| 475 | I | 45.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 59% | 0.59 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -59.6 | -27.2 | 175.8 | -65.5 | 165.1 | 0 | 0 | 0 | 111.6 | T471 R477 | T471-I475 WeakPolarHBondContact O-CG1 3.5Å; T471-I475 PolarHBondContact O-N 3.49Å; I475-R477 PolarHBondContact O-N 3.45Å; I475-R477 VanDerWaalsContact O-N 3.16Å |
| 476 | S | 43 | Very low | 38.4 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -72.5 | 4.1 | 176.7 | -46.4 | 0 | 0 | 0 | 0 | 115.4 | H472 E474 | H472-S476 PolarHBondContact O-OG 3.44Å; E474-S476 PolarHBondContact O-N 2.88Å; E474-S476 VanDerWaalsContact O-N 3.16Å |
| 477 | R | 44.6 | Very low | 37.9 | Very low | 210 Ų | 210 | 127.4 Ų | 127.4 | 79% | 0.792 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -123.2 | 10.1 | -174.5 | -68.2 | -172.4 | 172.6 | -168 | -3.5 | 115.3 | E474 I475 | E474-R477 PolarHBondContact O-N 2.84Å; E474-R477 VanDerWaalsContact O-N 3.1Å; I475-R477 PolarHBondContact O-N 3.45Å; I475-R477 VanDerWaalsContact O-N 3.16Å |
| 478 | L | 37.6 | Very low | 37.9 | Very low | 148 Ų | 148 | 127 Ų | 127 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | | | trans | -105 | 81.9 | 160.8 | -70.3 | 163.7 | 0 | 0 | 0 | 105.8 | | |
| 479 | E | 39.3 | Very low | 37.7 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 77% | 0.771 | 71% | 0.708 | S | S | * | * | | | | 64.6 | 83.7 | 77.6 | -162.8 | 165 | -128.7 | 0 | 0 | 111.2 | | |
| 480 | S | 32.4 | Very low | 37.6 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | | | trans | 18.2 | 101.2 | 151.9 | 48.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 481 | G | 32.9 | Very low | 37.6 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | | | trans | -145.1 | 127.6 | 156 | 0 | 0 | 0 | 0 | 0 | 109.3 | C483 | G481-C483 PolarHBondContact O-N 3.01Š|
| 482 | D | 32.5 | Very low | 37.4 | Very low | 169 Ų | 169 | 142 Ų | 142 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | | | trans | -70.6 | 122.6 | -165.2 | -59.9 | -79.6 | 0 | 0 | 0 | 114.5 | | |
| 483 | C | 29.7 | Very low | 37.6 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 93% | 0.926 | 74% | 0.739 | S | S | * | * | | | trans | -148.2 | 144.4 | 157.2 | -95.9 | 0 | 0 | 0 | 0 | 109.9 | G481 | G481-C483 PolarHBondContact O-N 3.01Š|
| 484 | S | 34.8 | Very low | 37.7 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -92.4 | 145.3 | -162.2 | 55.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 485 | S | 30.2 | Very low | 38.1 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | 57.6 | 113.6 | 149.4 | 61.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 486 | E | 28.1 | Very low | 37.9 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | trans | 64.6 | 151 | 166.8 | -75.2 | -109.3 | 112.6 | 0 | 0 | 116.3 | | |
| 487 | P | 33 | Very low | 38.5 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 39% | 0.39 | 73% | 0.727 | S | S | . | * | | | cis | -135.8 | 110.9 | 21 | 35.9 | -14.7 | 0 | 0 | 0 | 114.8 | R489 R490 | P487-R489 PolarHBondContact O-N 2.98Å; P487-R490 HydrophobicContact CG-CG 4.37Å |
| 488 | E | 37.2 | Very low | 38.9 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -1.7 | -175.4 | -151.4 | 176.7 | -167.4 | 0 | 0 | 114.7 | | |
| 489 | R | 36.2 | Very low | 39.1 | Very low | 223 Ų | 223 | 132.9 Ų | 132.9 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -16.3 | -174.8 | -64.5 | -176.1 | 179 | -174.4 | -0.1 | 115.6 | P487 | P487-R489 PolarHBondContact O-N 2.98Š|
| 490 | R | 39.5 | Very low | 40.3 | Very low | 198 Ų | 198 | 127.2 Ų | 127.2 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -81.8 | -18.8 | -165.8 | -72.2 | -173.9 | 174.1 | 146.5 | -0.4 | 116.1 | P487 R492 | P487-R490 HydrophobicContact CG-CG 4.37Å; R490-R492 PolarHBondContact O-N 3.23Å |
| 491 | T | 43.2 | Very low | 41.4 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 78% | 0.779 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -74.9 | -14.8 | -172.7 | 36.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 492 | R | 39.9 | Very low | 42.2 | Very low | 222 Ų | 222 | 130.2 Ų | 130.2 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -82.8 | -9.3 | 178.5 | -102 | -175.1 | 178.6 | -172.7 | 1.4 | 115.3 | R490 | R490-R492 PolarHBondContact O-N 3.23Š|
| 493 | E | 44.3 | Very low | 43.2 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -91.5 | -25 | -177.7 | -67.3 | -152.1 | -172.3 | 0 | 0 | 114.9 | S495 C496 K501 | E493-S495 PolarHBondContact O-N 2.89Å; E493-C496 VanDerWaalsContact O-CB 3.27Å; E493-C496 WeakPolarHBondContact O-CB 3.35Å; E493-C496 PolarHBondContact O-N 3.41Å; E493-K501 IonicContact OE2-NZ 3.59Å; E493-K501 PolarHBondContact OE2-NZ 2.98Å |
| 494 | A | 47.2 | Very low | 44.3 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 83% | 0.826 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -9.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 495 | S | 50 | Low | 44.9 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 4.8 | 176 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | E493 | E493-S495 PolarHBondContact O-N 2.89Š|
| 496 | C | 41 | Very low | 45.6 | Very low | 27 Ų | 27 | 130.5 Ų | 130.5 | 18% | 0.182 | 63% | 0.629 | C | S | . | * | | | trans | -99 | 112 | -171.8 | -163.7 | 0 | 0 | 0 | 0 | 111.7 | E493 T500 K501 | E493-C496 VanDerWaalsContact O-CB 3.27Å; E493-C496 WeakPolarHBondContact O-CB 3.35Å; E493-C496 PolarHBondContact O-N 3.41Å; C496-T500 PolarHBondContact SG-OG1 3.31Å; C496-K501 HydrophobicContact CB-CG 4.43Å; C496-K501 WeakPolarHBondContact SG-CG 3.29Å |
| 497 | T | 55.7 | Low | 46.2 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | | | trans | -72.9 | 156.9 | 171.9 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | Y499 T500 K501 | T497-Y499 PolarHBondContact O-N 2.97Å; T497-Y499 VanDerWaalsContact O-N 3.16Å; T497-T500 PolarHBondContact N-OG1 2.98Å; T497-T500 CarbonylContact O-C 3.6Å; T497-T500 WeakPolarHBondContact O-CA 3.47Å; T497-T500 PolarHBondContact O-N 3.16Å; T497-T500 PolarHBondContact O-OG1 3.13Å; T497-T500 PolarHBondContact OG1-N 3.32Å; T497-T500 PolarHBondContact OG1-OG1 3.24Å; T497-K501 PolarHBondContact O-N 2.97Å |
| 498 | L | 51.9 | Low | 46.4 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -50.4 | -38.9 | 174.6 | -87.8 | 163.7 | 0 | 0 | 0 | 113.1 | K501 R502 | L498-K501 PolarHBondContact O-N 2.96Å; L498-R502 WeakPolarHBondContact O-CG 3.39Å; L498-R502 PolarHBondContact O-N 2.93Å |
| 499 | Y | 42.5 | Very low | 46.4 | Very low | 168 Ų | 168 | 123.3 Ų | 123.3 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.4 | -46.9 | 173.2 | 178.9 | -105.5 | 0 | 0 | 0 | 112.2 | T497 R502 L503 | T497-Y499 PolarHBondContact O-N 2.97Å; T497-Y499 VanDerWaalsContact O-N 3.16Å; Y499-R502 PolarHBondContact O-N 3.36Å; Y499-L503 HydrophobicContact CD1-CD1 3.94Å; Y499-L503 HydrophobicContact CE1-CD1 3.41Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.41Å; Y499-L503 HydrophobicContact CE2-CD1 4.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.47Å; Y499-L503 PolarHBondContact O-N 3.48Å |
| 500 | T | 64.1 | Low | 46.4 | Very low | 47 Ų | 47 | 117.7 Ų | 117.7 | 29% | 0.288 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.4 | -23.9 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | C496 T497 R504 | C496-T500 PolarHBondContact SG-OG1 3.31Å; T497-T500 PolarHBondContact N-OG1 2.98Å; T497-T500 CarbonylContact O-C 3.6Å; T497-T500 WeakPolarHBondContact O-CA 3.47Å; T497-T500 PolarHBondContact O-N 3.16Å; T497-T500 PolarHBondContact O-OG1 3.13Å; T497-T500 PolarHBondContact OG1-N 3.32Å; T497-T500 PolarHBondContact OG1-OG1 3.24Å; T500-R504 WeakPolarHBondContact O-CG 3.42Å; T500-R504 PolarHBondContact O-N 2.77Å |
| 501 | K | 54.7 | Low | 46 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 37% | 0.37 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.6 | -53.6 | 166.9 | -70.8 | -159.8 | 171.5 | -162.1 | 0 | 110.4 | E493 C496 T497 L498 L503 R504 C505 | E493-K501 IonicContact OE2-NZ 3.59Å; E493-K501 PolarHBondContact OE2-NZ 2.98Å; C496-K501 HydrophobicContact CB-CG 4.43Å; C496-K501 WeakPolarHBondContact SG-CG 3.29Å; T497-K501 PolarHBondContact O-N 2.97Å; L498-K501 PolarHBondContact O-N 2.96Å; K501-L503 VanDerWaalsContact C-N 3.3Å; K501-L503 PolarHBondContact O-N 3.38Å; K501-R504 PolarHBondContact O-N 3.35Å; K501-R504 VanDerWaalsContact O-N 3.14Å; K501-C505 PolarHBondContact O-N 3.31Å; K501-C505 VanDerWaalsContact O-N 3.13Å; K501-C505 PolarHBondContact O-SG 2.96Å |
| 502 | R | 50.1 | Low | 45.5 | Very low | 167 Ų | 167 | 116.9 Ų | 116.9 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58 | -36.5 | 178.6 | -71.8 | -177.1 | 179 | -170.5 | -2 | 113.3 | L498 Y499 K506 | L498-R502 WeakPolarHBondContact O-CG 3.39Å; L498-R502 PolarHBondContact O-N 2.93Å; Y499-R502 PolarHBondContact O-N 3.36Å; R502-K506 PolarHBondContact O-N 2.7Å |
| 503 | L | 54.5 | Low | 45 | Very low | 93 Ų | 93 | 113.6 Ų | 113.6 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -39.1 | 175.9 | -92.8 | 170.1 | 0 | 0 | 0 | 113.7 | Y499 K501 K506 G507 | Y499-L503 HydrophobicContact CD1-CD1 3.94Å; Y499-L503 HydrophobicContact CE1-CD1 3.41Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.41Å; Y499-L503 HydrophobicContact CE2-CD1 4.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.47Å; Y499-L503 PolarHBondContact O-N 3.48Å; K501-L503 VanDerWaalsContact C-N 3.3Å; K501-L503 PolarHBondContact O-N 3.38Å; L503-K506 PolarHBondContact O-N 3.49Å; L503-G507 PolarHBondContact O-N 2.79Å; L503-G507 VanDerWaalsContact O-N 3.13Å |
| 504 | R | 52.4 | Low | 44.5 | Very low | 153 Ų | 153 | 112.8 Ų | 112.8 | 58% | 0.577 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.3 | -45.4 | 175.8 | -71.4 | 175.2 | -179.5 | 165.5 | 1.7 | 110.9 | T500 K501 K506 G507 D508 | T500-R504 WeakPolarHBondContact O-CG 3.42Å; T500-R504 PolarHBondContact O-N 2.77Å; K501-R504 PolarHBondContact O-N 3.35Å; K501-R504 VanDerWaalsContact O-N 3.14Å; R504-K506 PolarHBondContact O-N 3.26Å; R504-G507 PolarHBondContact O-N 3.49Å; R504-D508 PolarHBondContact O-N 3.36Å |
| 505 | C | 46.5 | Very low | 43.8 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 66% | 0.662 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -11.6 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 115.1 | K501 | K501-C505 PolarHBondContact O-N 3.31Å; K501-C505 VanDerWaalsContact O-N 3.13Å; K501-C505 PolarHBondContact O-SG 2.96Å |
| 506 | K | 45.1 | Very low | 42.9 | Very low | 179 Ų | 179 | 115.9 Ų | 115.9 | 78% | 0.778 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -1.8 | 169.1 | -76.6 | -150.1 | 174.1 | -168 | 0 | 114.6 | R502 L503 R504 | R502-K506 PolarHBondContact O-N 2.7Å; L503-K506 PolarHBondContact O-N 3.49Å; R504-K506 PolarHBondContact O-N 3.26Å |
| 507 | G | 40.9 | Very low | 42.6 | Very low | 44 Ų | 44 | 120.7 Ų | 120.7 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | -36.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L503 R504 S509 | L503-G507 PolarHBondContact O-N 2.79Å; L503-G507 VanDerWaalsContact O-N 3.13Å; R504-G507 PolarHBondContact O-N 3.49Å; G507-S509 VanDerWaalsContact C-N 3.3Å; G507-S509 PolarHBondContact O-N 3.06Å |
| 508 | D | 37.8 | Very low | 41.4 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -4.6 | -174.1 | -57.8 | -38.7 | 0 | 0 | 0 | 113.4 | R504 | R504-D508 PolarHBondContact O-N 3.36Š|
| 509 | S | 37.8 | Very low | 40.5 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 59% | 0.587 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 3.8 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 115 | G507 | G507-S509 VanDerWaalsContact C-N 3.3Å; G507-S509 PolarHBondContact O-N 3.06Å |
| 510 | T | 34.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 64% | 0.638 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -126.6 | 59.8 | -177.7 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 511 | N | 32.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -162.9 | 20.3 | 158.2 | -104 | -19.9 | 0 | 0 | 0 | 114.5 | | |
| 512 | M | 32.4 | Very low | 38 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | | | trans | -101.6 | 82.3 | 171.5 | -75 | -55.9 | -52.2 | 0 | 0 | 110.7 | V514 | M512-V514 VanDerWaalsContact C-N 3.28Å; M512-V514 HydrophobicContact CB-CG2 4.43Å; M512-V514 HydrophobicContact CE-CG2 3.68Å; M512-V514 PolarHBondContact O-N 3.32Å; M512-V514 VanDerWaalsContact O-N 3.1Å |
| 513 | I | 29.7 | Very low | 37.3 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | | | trans | -74.4 | 91.1 | 157.9 | -60.8 | 174.8 | 0 | 0 | 0 | 106.1 | E515 | I513-E515 HydrophobicContact CG2-CB 4.5Å; I513-E515 PolarHBondContact O-N 2.89Å |
| 514 | V | 34.4 | Very low | 36.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 62% | 0.618 | 73% | 0.734 | S | S | * | * | | | trans | -80 | 92.9 | 166.5 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | M512 S516 | M512-V514 VanDerWaalsContact C-N 3.28Å; M512-V514 HydrophobicContact CB-CG2 4.43Å; M512-V514 HydrophobicContact CE-CG2 3.68Å; M512-V514 PolarHBondContact O-N 3.32Å; M512-V514 VanDerWaalsContact O-N 3.1Å; V514-S516 PolarHBondContact O-N 2.87Å |
| 515 | E | 32.2 | Very low | 35.6 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -74 | 92.5 | 175.5 | -170.2 | 163.6 | -131.9 | 0 | 0 | 109.1 | I513 T517 | I513-E515 HydrophobicContact CG2-CB 4.5Å; I513-E515 PolarHBondContact O-N 2.89Å; E515-T517 PolarHBondContact O-N 3.02Å; E515-T517 PolarHBondContact O-OG1 3.38Å |
| 516 | S | 30 | Very low | 34.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -64.4 | 87.1 | -176.4 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | V514 | V514-S516 PolarHBondContact O-N 2.87Š|
| 517 | T | 34.6 | Very low | 34.5 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -99 | 121.2 | 169.4 | 35.1 | 0 | 0 | 0 | 0 | 110 | E515 | E515-T517 PolarHBondContact O-N 3.02Å; E515-T517 PolarHBondContact O-OG1 3.38Å |
| 518 | S | 30.8 | Very low | 34.5 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -80.3 | 141.8 | -178.3 | 45.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 519 | R | 34 | Very low | 34.4 | Very low | 241 Ų | 241 | 137.1 Ų | 137.1 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | | | trans | -160.8 | 145.2 | 144.5 | -120.2 | 170.6 | 179.2 | 157.5 | 1.4 | 111.9 | | |
| 520 | D | 33.8 | Very low | 34.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | -74.8 | 139.9 | -168.5 | -49.7 | -92 | 0 | 0 | 0 | 113 | N522 | D520-N522 PolarHBondContact O-N 2.91Š|
| 521 | P | 36 | Very low | 34.7 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | | | trans | -82.6 | 106.9 | 165.2 | 32.5 | -29.4 | 0 | 0 | 0 | 109.5 | | |
| 522 | N | 37.4 | Very low | 35 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -134.6 | 151.6 | 169.8 | -118.4 | -34 | 0 | 0 | 0 | 109.3 | D520 | D520-N522 PolarHBondContact O-N 2.91Š|
| 523 | D | 36.9 | Very low | 35.3 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | 68.7 | 134.1 | 175 | -152.8 | 35.2 | 0 | 0 | 0 | 116.1 | | |
| 524 | S | 35.3 | Very low | 35.5 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | cis | -158.6 | 165.7 | -41.6 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 525 | G | 34.8 | Very low | 35.5 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | 170.9 | 82.9 | 177 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 526 | H | 33.3 | Very low | 35.5 | Very low | 198 Ų | 198 | 145 Ų | 145 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | 56.1 | 110.5 | 153.9 | -72 | -77.5 | 0 | 0 | 0 | 122.8 | | |
| 527 | K | 35.8 | Very low | 35.9 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -62.9 | 180 | 147.9 | -68.6 | -176.3 | 177 | -175 | 0 | 112.1 | | |
| 528 | P | 40.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | | | cis | -125.5 | 173.8 | 5.1 | 42.4 | -25.4 | 0 | 0 | 0 | 113.8 | | |
| 529 | D | 36.3 | Very low | 36 | Very low | 115 Ų | 115 | 150 Ų | 150 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | | | | -169.3 | 165.7 | 67.7 | -98.5 | -14.3 | 0 | 0 | 0 | 107.3 | | |
| 530 | K | 41.1 | Very low | 35.8 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 70% | 0.7 | 80% | 0.795 | S | S | * | * | | | cis | -163.5 | 170.1 | -14.3 | -114.8 | 166.9 | -167.1 | 130.1 | 0 | 107.4 | | |
| 531 | E | 37.7 | Very low | 35.9 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | 64.5 | 153.8 | 179.1 | -55.5 | 180 | 153.9 | 0 | 0 | 115.1 | | |
| 532 | S | 37.7 | Very low | 35.8 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | cis | -165.6 | 172.5 | -47.7 | -102.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 533 | D | 38.7 | Very low | 35.6 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | 53.8 | 84.5 | 165 | -51.7 | -22.5 | 0 | 0 | 0 | 116 | | |
| 534 | Q | 33.8 | Very low | 35.2 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | | 43.8 | 108.9 | 82.2 | -61.2 | -169.6 | 84.5 | 0 | 0 | 115 | | |
| 535 | L | 35.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | | -156.1 | 146.4 | 117.6 | -106 | 175.1 | 0 | 0 | 0 | 109.8 | | |
| 536 | T | 31.8 | Very low | 35 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | | | trans | -119.2 | 137.7 | -172.8 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 537 | S | 37 | Very low | 34.8 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -149.9 | 110.9 | 160.2 | 57 | 0 | 0 | 0 | 0 | 110.4 | | |
| 538 | N | 30.9 | Very low | 34.6 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -75.7 | 151.1 | 164.7 | -70.6 | -30.3 | 0 | 0 | 0 | 109.4 | | |
| 539 | E | 37.4 | Very low | 34 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -146.2 | 146.6 | 143.2 | -125 | 167.1 | -152.9 | 0 | 0 | 110.4 | | |
| 540 | N | 30.8 | Very low | 33.5 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -106.4 | 139.4 | -162.2 | -59.5 | -72.7 | 0 | 0 | 0 | 112.5 | | |
| 541 | A | 34.6 | Very low | 33 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | -161 | 65.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 542 | T | 33.7 | Very low | 32.4 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | trans | -76.3 | 150.7 | 158.1 | -10.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 543 | P | 34 | Very low | 32.1 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | | -149.6 | 139.6 | 83.4 | 36.9 | -18.1 | 0 | 0 | 0 | 117.4 | | |
| 544 | N | 29.4 | Very low | 31.6 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | 27.3 | 118.8 | 130.2 | -49.2 | -16.1 | 0 | 0 | 0 | 120.4 | | |
| 545 | A | 31.6 | Very low | 31.5 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | trans | -160.5 | 92 | 131.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 546 | L | 32.4 | Very low | 31.1 | Very low | 165 Ų | 165 | 132 Ų | 132 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | 39.5 | 105.8 | 134.7 | -65.1 | 160 | 0 | 0 | 0 | 119.9 | | |
| 547 | I | 29 | Very low | 31.1 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | -75 | 139.8 | 143.3 | -56.7 | 166.7 | 0 | 0 | 0 | 107.5 | | |
| 548 | P | 32.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | | -136.2 | 153.2 | 127.3 | 36.2 | -25.8 | 0 | 0 | 0 | 113.3 | | |
| 549 | D | 27.3 | Very low | 30.7 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | -66.1 | 153.1 | 177.1 | -48.1 | -94 | 0 | 0 | 0 | 113.3 | | |
| 550 | S | 27.9 | Very low | 30.2 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | | 172.1 | 149 | 117.6 | 44.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 551 | S | 29.9 | Very low | 30.3 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | 46.7 | 113.2 | 149.8 | 59.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 552 | N | 25.4 | Very low | 30 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | | 32.3 | 108 | 123.4 | -57.9 | -11.6 | 0 | 0 | 0 | 118.7 | | |
| 553 | T | 31.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | -152.1 | 148.9 | 139.3 | 6.1 | 0 | 0 | 0 | 0 | 111 | | |
| 554 | V | 28.5 | Very low | 29.7 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | -80.4 | 131.9 | 172.2 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 555 | G | 31.8 | Very low | 29.8 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | | | trans | -145.2 | 131.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I557 | G555-I557 PolarHBondContact O-N 3.05Š|
| 556 | D | 27.1 | Very low | 29.8 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | -69.4 | 115.5 | -177.5 | -70.1 | -67.9 | 0 | 0 | 0 | 112.3 | H558 | D556-H558 VanDerWaalsContact C-N 3.33Å; D556-H558 PolarHBondContact O-N 3.48Å |
| 557 | I | 31 | Very low | 29.5 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | -86.8 | 82.6 | 163.1 | -59.1 | -175 | 0 | 0 | 0 | 108.6 | G555 L559 | G555-I557 PolarHBondContact O-N 3.05Å; I557-L559 HydrophobicContact CG2-CD1 3.79Å; I557-L559 HydrophobicContact CG2-CG 3.89Å; I557-L559 PolarHBondContact O-N 2.93Å |
| 558 | H | 27.2 | Very low | 29.6 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | -70.5 | 92.4 | 171.3 | -131 | -82.8 | 0 | 0 | 0 | 109.6 | D556 | D556-H558 VanDerWaalsContact C-N 3.33Å; D556-H558 PolarHBondContact O-N 3.48Å |
| 559 | L | 33.2 | Very low | 29.4 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -115 | 73.1 | 171.3 | -78.2 | 174.8 | 0 | 0 | 0 | 111.6 | I557 | I557-L559 HydrophobicContact CG2-CD1 3.79Å; I557-L559 HydrophobicContact CG2-CG 3.89Å; I557-L559 PolarHBondContact O-N 2.93Å |
| 560 | L | 27 | Very low | 29.6 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | | | trans | -65.4 | 129.6 | 143 | -90.2 | 73.6 | 0 | 0 | 0 | 107.4 | | |
| 561 | R | 32.3 | Very low | 29.7 | Very low | 201 Ų | 201 | 141 Ų | 141 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | | | trans | -143 | 90.4 | 148.2 | -131.4 | -179.5 | -167.2 | -165.4 | 3.7 | 109.7 | Y563 | R561-Y563 PolarHBondContact O-N 3.14Š|
| 562 | D | 28.4 | Very low | 29.9 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | trans | -59.2 | 118 | 170.4 | -57.1 | -82.2 | 0 | 0 | 0 | 109.5 | | |
| 563 | Y | 30 | Very low | 30.2 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -101.7 | 69.8 | 162.4 | -93 | -84.6 | 0 | 0 | 0 | 109.3 | R561 A565 | R561-Y563 PolarHBondContact O-N 3.14Å; Y563-A565 PolarHBondContact O-N 2.97Å |
| 564 | S | 30.6 | Very low | 30.3 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | trans | -64.9 | 112.7 | 154.6 | -75.3 | 0 | 0 | 0 | 0 | 107.6 | Q566 | S564-Q566 PolarHBondContact O-N 2.85Š|
| 565 | A | 31.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -69.7 | 83 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y563 E567 | Y563-A565 PolarHBondContact O-N 2.97Å; A565-E567 PolarHBondContact O-N 3.2Å |
| 566 | Q | 32.1 | Very low | 30.4 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | trans | -73.5 | 111.9 | 165.9 | -78.6 | -173.4 | -53.5 | 0 | 0 | 108.8 | S564 I568 | S564-Q566 PolarHBondContact O-N 2.85Å; Q566-I568 PolarHBondContact O-N 2.86Å; Q566-I568 VanDerWaalsContact O-N 3.12Å |
| 567 | E | 26.3 | Very low | 30.6 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | | | trans | -17.8 | 103.2 | 145.9 | -176.3 | 172.7 | -148.9 | 0 | 0 | 113.2 | A565 V569 | A565-E567 PolarHBondContact O-N 3.2Å; E567-V569 HydrophobicContact CG-CG2 4.43Å |
| 568 | I | 31.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 143 Ų | 143 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | | | trans | -113.7 | 101.4 | 166.4 | -68.4 | 174.9 | 0 | 0 | 0 | 107 | Q566 H570 | Q566-I568 PolarHBondContact O-N 2.86Å; Q566-I568 VanDerWaalsContact O-N 3.12Å; I568-H570 WeakPolarHBondContact CG2-CD2 3.49Å |
| 569 | V | 28.3 | Very low | 30.9 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | | | trans | -79.1 | 118.7 | 166.2 | 176.7 | 0 | 0 | 0 | 0 | 107.7 | E567 | E567-V569 HydrophobicContact CG-CG2 4.43Š|
| 570 | H | 31.1 | Very low | 30.9 | Very low | 164 Ų | 164 | 139 Ų | 139 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -132.2 | 102.7 | 165.5 | -88.1 | -49.6 | 0 | 0 | 0 | 110.3 | I568 | I568-H570 WeakPolarHBondContact CG2-CD2 3.49Š|
| 571 | D | 29.3 | Very low | 31.1 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | -63.3 | 134.5 | 157.4 | -85.4 | -58.4 | 0 | 0 | 0 | 110 | | |
| 572 | S | 35.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | trans | -146.8 | 71.3 | 164.3 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | E574 | S572-E574 PolarHBondContact O-N 2.82Š|
| 573 | N | 29.9 | Very low | 31.2 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | -64.5 | 122.6 | 162.5 | -93.3 | -64.5 | 0 | 0 | 0 | 109.4 | | |
| 574 | E | 34.1 | Very low | 31.5 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | trans | -152.2 | 110.6 | 141.5 | -130.1 | 168.6 | -172 | 0 | 0 | 116.6 | S572 | S572-E574 PolarHBondContact O-N 2.82Š|
| 575 | Q | 30.4 | Very low | 31.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 61% | 0.607 | 75% | 0.746 | S | S | * | * | | | trans | 46.9 | 102.1 | 140.3 | -61 | -178.7 | 79.9 | 0 | 0 | 120 | | |
| 576 | V | 31.3 | Very low | 31.7 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | | | trans | -109.2 | 127.6 | 141.3 | 176.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 577 | T | 32.3 | Very low | 31.7 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 59% | 0.589 | 73% | 0.734 | S | S | * | * | | | trans | -144.8 | 152.5 | 172.6 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 578 | N | 33.8 | Very low | 32.1 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | | | trans | 75.1 | 141.7 | 169.6 | -48.9 | -46.9 | 0 | 0 | 0 | 117.2 | | |
| 579 | S | 30.4 | Very low | 32.1 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | cis | -173 | 168.7 | -19.8 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 580 | V | 32.5 | Very low | 32.3 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | 68.9 | 134.8 | 160.4 | 177.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 581 | N | 32 | Very low | 32.3 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | | | cis | -149.8 | 163.2 | -0.3 | -123.9 | 2 | 0 | 0 | 0 | 111 | | |
| 582 | P | 33.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | trans | -105 | 172.3 | 173.9 | 39.9 | -33.4 | 0 | 0 | 0 | 115 | | |
| 583 | S | 30 | Very low | 32.5 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | 69.8 | 134.7 | 169.6 | -54.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 584 | D | 35 | Very low | 32.7 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | | -168.5 | 162.9 | 64.7 | -129.3 | 1.8 | 0 | 0 | 0 | 116 | | |
| 585 | Q | 36.6 | Very low | 32.8 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | | | trans | 57.9 | 106.7 | 148.9 | -64.8 | 172.4 | 53.4 | 0 | 0 | 124.5 | | |
| 586 | S | 30 | Very low | 32.8 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | | 67.5 | 156.7 | 123.3 | 86.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 587 | S | 33 | Very low | 33 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | | | cis | -164.9 | 175.8 | -11.7 | 45.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 588 | N | 34 | Very low | 33 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | trans | 72 | 109.7 | 168.7 | -49.2 | -41.6 | 0 | 0 | 0 | 116.4 | | |
| 589 | Q | 30.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | | 65.1 | 112.4 | 65.5 | -66.8 | -163.8 | 34.7 | 0 | 0 | 115.7 | | |
| 590 | F | 32.9 | Very low | 32.9 | Very low | 217 Ų | 217 | 133.7 Ų | 133.7 | 95% | 0.952 | 75% | 0.751 | S | S | * | * | | | | -160.6 | 140.8 | 124.3 | -106.9 | -70.1 | 0 | 0 | 0 | 111.3 | | |
| 591 | L | 32.1 | Very low | 32.9 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -129.1 | 141.5 | 178.6 | -113.6 | 171.6 | 0 | 0 | 0 | 108.4 | | |
| 592 | P | 35 | Very low | 33 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | | -152.9 | 171.9 | 111 | 32.8 | -13.6 | 0 | 0 | 0 | 114.2 | | |
| 593 | K | 33.6 | Very low | 32.8 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | cis | -179.8 | 162.1 | -30.8 | -111.3 | -179.4 | 177.3 | 178.8 | 0 | 106.6 | | |
| 594 | N | 34.5 | Very low | 32.7 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | 71.1 | 143.4 | 159.6 | -57.6 | -12.6 | 0 | 0 | 0 | 117.2 | | |
| 595 | A | 35.9 | Very low | 32.5 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | cis | -156.5 | 157 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 596 | S | 30.4 | Very low | 32.1 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | trans | 37.3 | 141.9 | 148 | -47.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 597 | F | 35 | Very low | 32 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | cis | -141.9 | 127.4 | 27.2 | -75.2 | -95.3 | 0 | 0 | 0 | 108.9 | | |
| 598 | S | 31.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | | 51.5 | 130.6 | 82.5 | 81.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 599 | S | 30.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | 159.8 | 141 | -7.4 | 44.9 | 0 | 0 | 0 | 0 | 105.2 | | |
| 600 | I | 32.6 | Very low | 31.6 | Very low | 160 Ų | 160 | 141 Ų | 141 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | | | trans | -157.1 | 118.3 | 141.1 | -99.3 | 150.2 | 0 | 0 | 0 | 106.3 | | |
| 601 | E | 33.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -91.3 | 134 | 162.4 | -63 | 174.8 | 111.6 | 0 | 0 | 108.3 | | |
| 602 | N | 32.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | -152.4 | 109.8 | 151.3 | -90.2 | -48.1 | 0 | 0 | 0 | 106.1 | | |
| 603 | K | 30.6 | Very low | 31.3 | Very low | 178 Ų | 178 | 139 Ų | 139 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | | 60.7 | 106.8 | 83 | -70.3 | -172.3 | 177.6 | -177.2 | 0 | 113 | | |
| 604 | I | 27.2 | Very low | 31.1 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | trans | 43.6 | 91.6 | 139.8 | -51.7 | 167.5 | 0 | 0 | 0 | 114.5 | | |
| 605 | G | 30.8 | Very low | 30.8 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | -116.8 | 65.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L607 | G605-L607 PolarHBondContact O-N 3.43Š|
| 606 | E | 27.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -75.9 | 103.5 | 172.7 | -174.1 | 171.4 | -144.4 | 0 | 0 | 110.1 | | |
| 607 | L | 28.9 | Very low | 30.6 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -137.7 | 92.4 | 178.4 | -85.4 | 161.2 | 0 | 0 | 0 | 107.9 | G605 | G605-L607 PolarHBondContact O-N 3.43Š|
| 608 | V | 27.9 | Very low | 30.4 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | | 61 | 79 | 76.1 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 609 | I | 29 | Very low | 30.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | | 31.9 | 120.5 | 123.7 | -60.5 | 178.2 | 0 | 0 | 0 | 116.7 | E611 | I609-E611 HydrophobicContact CG2-CB 3.7Š|
| 610 | P | 31.8 | Very low | 30.6 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | | -110.2 | 101.1 | 126.4 | -13.5 | 31.2 | 0 | 0 | 0 | 112.7 | | |
| 611 | E | 30.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -81.5 | 122.7 | 166.4 | 177.2 | -178.8 | -158.1 | 0 | 0 | 107.9 | I609 | I609-E611 HydrophobicContact CG2-CB 3.7Š|
| 612 | V | 32.2 | Very low | 30.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -132.9 | 86.2 | 178.6 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 613 | L | 30.9 | Very low | 30.6 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | 66.2 | 112.4 | 156.8 | -49.2 | 171.1 | 0 | 0 | 0 | 116.5 | | |
| 614 | G | 29.1 | Very low | 30.9 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | | | cis | 158.1 | -179 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 615 | L | 29.4 | Very low | 31 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | | | trans | 73.4 | 76.3 | 169.5 | -51 | -179.2 | 0 | 0 | 0 | 118.1 | | |
| 616 | T | 28 | Very low | 31.2 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -120.6 | 125.6 | 140.5 | 35.8 | 0 | 0 | 0 | 0 | 109 | | |
| 617 | P | 32.3 | Very low | 31.4 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -77.1 | 156.2 | 179.4 | 32.2 | -34.8 | 0 | 0 | 0 | 112.3 | | |
| 618 | P | 31.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -93.7 | 165.7 | -168.8 | 37.5 | -37.3 | 0 | 0 | 0 | 114.5 | | |
| 619 | I | 33.8 | Very low | 32 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -127.9 | 145.9 | 156.5 | -58.2 | -179.9 | 0 | 0 | 0 | 106.7 | | |
| 620 | S | 33 | Very low | 32.2 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -87.7 | 154.5 | -163.5 | 48.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 621 | N | 30.4 | Very low | 32.2 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -80.7 | 155 | 162 | -68.8 | -25 | 0 | 0 | 0 | 111.2 | | |
| 622 | D | 36 | Very low | 32 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -154.2 | 123 | 134.6 | -75.9 | -46.4 | 0 | 0 | 0 | 103.9 | | |
| 623 | Q | 32.1 | Very low | 32.2 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | | 56.7 | 130.5 | 74.8 | -61.5 | -164.7 | 1 | 0 | 0 | 112.4 | | |
| 624 | D | 36 | Very low | 32.2 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | cis | -124.7 | 164.5 | 16.1 | -70.4 | -61 | 0 | 0 | 0 | 112.7 | | |
| 625 | C | 28.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | cis | 79.3 | 87.8 | 28.4 | -68.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 626 | V | 36.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | | | trans | -152.5 | 139.4 | 143.9 | 163.3 | 0 | 0 | 0 | 0 | 109 | | |
| 627 | E | 32.4 | Very low | 32.6 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | -89.1 | 156.7 | 170.6 | -55 | 177.8 | 103.5 | 0 | 0 | 111.5 | | |
| 628 | D | 35.5 | Very low | 32.5 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | -153.7 | 163.1 | 132.5 | -139.1 | -24 | 0 | 0 | 0 | 113.1 | | |
| 629 | K | 32.8 | Very low | 32.6 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 67% | 0.665 | 79% | 0.793 | S | S | * | * | | | trans | -121.4 | 145.5 | -174.3 | -61.2 | 161 | -174.5 | 155.8 | 0 | 110.1 | | |
| 630 | T | 34 | Very low | 32.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | 177.3 | 127.9 | 132.8 | 23.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 631 | D | 30.8 | Very low | 32.4 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | | 44.3 | 107.5 | 129 | -54.3 | -16.3 | 0 | 0 | 0 | 123.3 | | |
| 632 | S | 28.1 | Very low | 32.6 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | | 74.2 | 154.5 | 123.2 | -74.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 633 | P | 35.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -96.1 | 156.6 | -167.6 | 37.8 | -36 | 0 | 0 | 0 | 114.3 | | |
| 634 | L | 31.3 | Very low | 32.5 | Very low | 162 Ų | 162 | 150 Ų | 150 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -142.5 | 128.6 | 165.4 | -156 | 74.9 | 0 | 0 | 0 | 113.5 | | |
| 635 | T | 27.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -78.1 | 149.9 | 179.6 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 636 | R | 33.7 | Very low | 32.3 | Very low | 241 Ų | 241 | 151.7 Ų | 151.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | trans | -134.8 | 112.5 | 155.1 | -69.4 | -174.8 | 177.7 | 155.4 | 1.8 | 111 | | |
| 637 | K | 33.4 | Very low | 31.9 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | | | trans | -89.4 | 175 | 163.7 | -72.7 | -176.6 | 173.7 | -177.3 | 0 | 109.7 | | |
| 638 | I | 30.4 | Very low | 31.7 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | 137.6 | 132 | 154.7 | -77.2 | 157.9 | 0 | 0 | 0 | 111 | | |
| 639 | P | 32.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | cis | -132 | -171.9 | -23.5 | 37.2 | -17.7 | 0 | 0 | 0 | 113.7 | | |
| 640 | I | 32 | Very low | 31 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | | | trans | -103.6 | 153.4 | -177 | -62.3 | 154.3 | 0 | 0 | 0 | 111.2 | | |
| 641 | R | 30.7 | Very low | 30.9 | Very low | 243 Ų | 243 | 144.7 Ų | 144.7 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | | | trans | -142.7 | 134.8 | 142.1 | -104.8 | -169.5 | 179.5 | -169 | -1.5 | 112 | | |
| 642 | P | 35.6 | Very low | 30.9 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 59% | 0.591 | 78% | 0.781 | S | S | * | * | | | trans | -106.4 | -158.8 | 177.6 | 42.4 | -33.8 | 0 | 0 | 0 | 112.2 | | |
| 643 | E | 30.8 | Very low | 31.1 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | 69.1 | 139.1 | -173.6 | -40.8 | -43.9 | 133 | 0 | 0 | 113.4 | | |
| 644 | D | 34.2 | Very low | 30.8 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | cis | -136.5 | 170.2 | 29.3 | -122.1 | -50.3 | 0 | 0 | 0 | 114.7 | | |
| 645 | S | 29.4 | Very low | 30.8 | Very low | 91 Ų | 91 | 153.7 Ų | 153.7 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | trans | -101.8 | -160.4 | -175.3 | -71.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 646 | F | 32.4 | Very low | 30.8 | Very low | 191 Ų | 191 | 153 Ų | 153 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | 78.6 | 104.4 | 177.7 | -51.7 | -77.8 | 0 | 0 | 0 | 115 | | |
| 647 | A | 28 | Very low | 30.7 | Very low | 74 Ų | 74 | 150 Ų | 150 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | | | cis | 92.1 | 133.3 | 32.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 648 | H | 27.2 | Very low | 30.5 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | 64.4 | 150.6 | 172.4 | -50.4 | -58.8 | 0 | 0 | 0 | 115.4 | | |
| 649 | T | 26.4 | Very low | 30.7 | Very low | 129 Ų | 129 | 146 Ų | 146 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | cis | -151.6 | 172.5 | 13.8 | -17.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 650 | S | 27.8 | Very low | 30.5 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -50.6 | 150.6 | 168.5 | 55.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 651 | S | 32.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | | -166.2 | 143.8 | 120.1 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 652 | N | 30.6 | Very low | 30.7 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -71.6 | 138.3 | 162.3 | -76.1 | -38.8 | 0 | 0 | 0 | 109.9 | | |
| 653 | K | 32.6 | Very low | 30.5 | Very low | 203 Ų | 203 | 138 Ų | 138 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -159.8 | 114.8 | 144.7 | -113.2 | 148.9 | -169.7 | 169.7 | 0 | 113.3 | | |
| 654 | S | 28.3 | Very low | 30.6 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -59.5 | 135.3 | 166.9 | -20.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 655 | R | 30.8 | Very low | 30.4 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | -154.5 | 111.1 | 154 | -125.3 | 170.5 | -178.1 | 175.1 | -1 | 112.1 | | |
| 656 | S | 28.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -66.6 | 142.3 | 160.7 | 46.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 657 | L | 32.3 | Very low | 30.7 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | | | trans | -139.5 | 134.3 | 151 | -90.6 | -178.7 | 0 | 0 | 0 | 109.1 | | |
| 658 | C | 28 | Very low | 30.9 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -114.3 | 129.5 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 659 | T | 34.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | -147.9 | 119.2 | 157.2 | 37 | 0 | 0 | 0 | 0 | 104.5 | | |
| 660 | G | 28.9 | Very low | 31.4 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | | 98.4 | 137.4 | 76.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 661 | C | 30.7 | Very low | 31.8 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | | | cis | -160.6 | 170.7 | 14 | -88 | 0 | 0 | 0 | 0 | 112.3 | | |
| 662 | H | 35.9 | Very low | 31.7 | Very low | 168 Ų | 168 | 145 Ų | 145 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | | | trans | 80.5 | 77.8 | 157.5 | -55.3 | -26.2 | 0 | 0 | 0 | 119.9 | | |
| 663 | S | 30.5 | Very low | 31.6 | Very low | 95 Ų | 95 | 146 Ų | 146 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | | | | 35.2 | 124.6 | 105.2 | -43.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 664 | H | 34.3 | Very low | 31.5 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | | -167.9 | 121 | 97.8 | -96.5 | -64.2 | 0 | 0 | 0 | 112 | | |
| 665 | S | 29.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -113.1 | 148.2 | 165.8 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 666 | R | 34.7 | Very low | 31.7 | Very low | 228 Ų | 228 | 136.5 Ų | 136.5 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -142.1 | 114.2 | 155.9 | -63 | -166.7 | 88.3 | 161.3 | 5.3 | 105.6 | | |
| 667 | S | 32.8 | Very low | 31.7 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | | | | 62.7 | 129.9 | 66.1 | 77.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 668 | D | 31.6 | Very low | 31.8 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | cis | -164.2 | -179.4 | -13.7 | -95.8 | -41.7 | 0 | 0 | 0 | 106.4 | | |
| 669 | H | 36.1 | Very low | 31.9 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | | | trans | 152.1 | 115.2 | 138.2 | -78.8 | -55.2 | 0 | 0 | 0 | 112.3 | | |
| 670 | S | 28.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -113.7 | 124.7 | 171.5 | 54 | 0 | 0 | 0 | 0 | 110.5 | | |
| 671 | L | 36.5 | Very low | 31.5 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | | | trans | -145.3 | 121 | 159.4 | -64.6 | 174.8 | 0 | 0 | 0 | 105.6 | | |
| 672 | T | 29.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | | | cis | 81.1 | 115.6 | 46.6 | 68 | 0 | 0 | 0 | 0 | 115 | | |
| 673 | E | 29.3 | Very low | 31.1 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | 75.2 | 146.6 | 149.7 | -63.7 | 173.6 | 145.9 | 0 | 0 | 121 | | |
| 674 | S | 29.5 | Very low | 31.3 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | 68.1 | 143.8 | 152.3 | -70.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 675 | D | 32.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | cis | -163.7 | 166.5 | -11.8 | -122.1 | -44.8 | 0 | 0 | 0 | 114 | | |
| 676 | H | 32.1 | Very low | 31.4 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | trans | 61.9 | 120.6 | 152.5 | -58.3 | -3.9 | 0 | 0 | 0 | 119 | | |
| 677 | S | 28.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | | 70.2 | 144.7 | 100.3 | 86.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 678 | E | 34.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | cis | -138.2 | 141.2 | 10.4 | -67.9 | -178.5 | 111.8 | 0 | 0 | 109.5 | | |
| 679 | T | 28.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | | 64.9 | 145.6 | 83.6 | -5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 680 | C | 27.4 | Very low | 31.6 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | | | trans | 74.5 | 139.7 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 681 | G | 28.8 | Very low | 31.8 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | cis | 169 | 152.9 | -8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 682 | G | 30.3 | Very low | 31.9 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | 89.7 | 144.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 683 | G | 28.6 | Very low | 32.2 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | cis | 85.3 | 125.2 | 22 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 684 | I | 33.6 | Very low | 32.5 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | cis | -151.1 | 128.5 | 36.8 | -74.2 | 140.5 | 0 | 0 | 0 | 107.1 | | |
| 685 | E | 33.6 | Very low | 33 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | | 66.1 | 154.2 | 102.4 | -142.7 | 171.2 | -154.4 | 0 | 0 | 116.9 | | |
| 686 | N | 31.9 | Very low | 33.5 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -83.8 | 152.4 | -160.2 | -43.1 | -77.8 | 0 | 0 | 0 | 114.4 | | |
| 687 | Q | 37.3 | Very low | 34.1 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | | | trans | -134.1 | 142.8 | 148.8 | -76.1 | -164.9 | -31.1 | 0 | 0 | 111.7 | | |
| 688 | E | 34.2 | Very low | 34.6 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | | | trans | -116.6 | 116.9 | 179.9 | 167.8 | -172.8 | -174.2 | 0 | 0 | 107 | | |
| 689 | E | 35.4 | Very low | 35 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 95% | 0.949 | 81% | 0.814 | S | S | * | * | | | trans | -173.7 | 145.1 | 168.3 | -109.9 | 168 | -136.8 | 0 | 0 | 107.8 | | |
| 690 | G | 34 | Very low | 35.5 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | | | cis | -163.7 | 162.3 | -6.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 691 | E | 33 | Very low | 36.1 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -81.6 | 138.7 | 176.6 | -172.8 | 169.9 | -138.9 | 0 | 0 | 110.5 | | |
| 692 | V | 38.6 | Very low | 36.8 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | | | trans | -130 | 120 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 693 | A | 34.3 | Very low | 37.1 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 60% | 0.595 | 81% | 0.805 | S | S | * | * | | | trans | -99.7 | 167.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 694 | D | 35.7 | Very low | 37.4 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | 58.6 | 139.2 | 160.2 | -51.2 | -26.2 | 0 | 0 | 0 | 116.2 | | |
| 695 | D | 41 | Very low | 37.4 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | | -141 | 170.3 | 57.6 | -85 | -46.2 | 0 | 0 | 0 | 114 | | |
| 696 | V | 42.7 | Very low | 37.2 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 67% | 0.667 | 80% | 0.797 | S | S | * | * | | | trans | -121.7 | 135.5 | -179.9 | -173 | 0 | 0 | 0 | 0 | 108.9 | | |
| 697 | D | 44.1 | Very low | 37.3 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -140.3 | 113.6 | 160.5 | -84.6 | -46.3 | 0 | 0 | 0 | 109 | | |
| 698 | D | 39.7 | Very low | 37 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -99.3 | 114.6 | 165.2 | -81.2 | -53.3 | 0 | 0 | 0 | 107.8 | | |
| 699 | D | 43.3 | Very low | 36.8 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -115.7 | 99.2 | 167.2 | -92.7 | -35.1 | 0 | 0 | 0 | 109.2 | | |
| 700 | D | 38.6 | Very low | 36.5 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | | | trans | -85.8 | 114.1 | 166.3 | -136 | -9.9 | 0 | 0 | 0 | 107 | | |
| 701 | D | 40.2 | Very low | 36.4 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -148.7 | 116.2 | 169.3 | -134.8 | -17 | 0 | 0 | 0 | 115.7 | | |
| 702 | T | 42.8 | Very low | 36.2 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | | | trans | 50.3 | 126.4 | 147.9 | 47.7 | 0 | 0 | 0 | 0 | 124.5 | | |
| 703 | E | 37.4 | Very low | 35.7 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | | 65.4 | 111 | 128.3 | -63.3 | -68.5 | 107.1 | 0 | 0 | 122.5 | | |
| 704 | V | 34.8 | Very low | 35.6 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 55% | 0.552 | 80% | 0.8 | S | S | * | * | | | | 42 | 114.8 | 120.8 | -173.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 705 | F | 32.4 | Very low | 35.4 | Very low | 197 Ų | 197 | 150.1 Ų | 150.1 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | | -165.4 | 148.1 | 108.1 | -110.1 | -72.3 | 0 | 0 | 0 | 113.5 | | |
| 706 | N | 30.6 | Very low | 34.9 | Very low | 149 Ų | 149 | 152 Ų | 152 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -86.7 | 132 | 177.4 | -69.9 | -77.2 | 0 | 0 | 0 | 111.8 | | |
| 707 | S | 33.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 157.6 Ų | 157.6 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | | 178.8 | 152.2 | 128.7 | 45.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 708 | S | 31.2 | Very low | 33.6 | Very low | 112 Ų | 112 | 155.1 Ų | 155.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | 63.9 | 122.4 | 161 | -150.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 709 | P | 30.8 | Very low | 33.1 | Very low | 107 Ų | 107 | 159.1 Ų | 159.1 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | | | trans | -84.8 | 177.1 | 167.1 | 35.9 | -34 | 0 | 0 | 0 | 113.1 | | |
| 710 | Y | 28.8 | Very low | 32.5 | Very low | 222 Ų | 222 | 156.8 Ų | 156.8 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | 78.8 | 73.6 | 178.6 | -75.1 | -94.7 | 0 | 0 | 0 | 118.1 | | |
| 711 | A | 32.2 | Very low | 32 | Very low | 100 Ų | 100 | 159.5 Ų | 159.5 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | -146.7 | 99.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R713 | A711-R713 PolarHBondContact O-N 3.11Š|
| 712 | A | 28.1 | Very low | 31.6 | Very low | 107 Ų | 107 | 158.8 Ų | 158.8 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | | | trans | -83.7 | 96.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 713 | R | 28.8 | Very low | 31 | Very low | 243 Ų | 243 | 158.1 Ų | 158.1 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | | | trans | -156.7 | 33.5 | 173.5 | -122.1 | 171.9 | -169 | -166.1 | 2.5 | 117.6 | A711 | A711-R713 PolarHBondContact O-N 3.11Š|
| 714 | T | 31 | Very low | 30.7 | Very low | 147 Ų | 147 | 156.6 Ų | 156.6 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -76.8 | 130.6 | 172.6 | 34.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 715 | R | 31.4 | Very low | 30.6 | Very low | 237 Ų | 237 | 157.9 Ų | 157.9 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | | | trans | -59.6 | 142.3 | -170 | -65 | 167.4 | 172.6 | 167.5 | -4.8 | 112.6 | R717 | R715-R717 PolarHBondContact O-N 2.99Š|
| 716 | K | 31.6 | Very low | 30.5 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | | | trans | -63.6 | 97.8 | 163 | -69.7 | -179.5 | 179.6 | 177.2 | 0 | 109.2 | C718 | K716-C718 VanDerWaalsContact C-N 3.34Å; K716-C718 PolarHBondContact O-N 3.14Å |
| 717 | R | 29.4 | Very low | 30.3 | Very low | 228 Ų | 228 | 152.2 Ų | 152.2 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -67.8 | 97.7 | 158.9 | -97.5 | -175.6 | 168.4 | 167.7 | -3.7 | 107.2 | R715 W719 | R715-R717 PolarHBondContact O-N 2.99Å; R717-W719 PolarHBondContact O-N 3.42Å |
| 718 | C | 28.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 155.3 Ų | 155.3 | 72% | 0.716 | 82% | 0.817 | S | S | * | * | | | trans | -68.1 | 99.5 | 174 | -67.9 | 0 | 0 | 0 | 0 | 108.9 | K716 S720 | K716-C718 VanDerWaalsContact C-N 3.34Å; K716-C718 PolarHBondContact O-N 3.14Å; C718-S720 PolarHBondContact O-N 3.47Å |
| 719 | W | 29.5 | Very low | 30.2 | Very low | 236 Ų | 236 | 155.5 Ų | 155.5 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | | | trans | -69.3 | 98.1 | 164.3 | -73.8 | 77.3 | 0 | 0 | 0 | 107.9 | R717 R721 | R717-W719 PolarHBondContact O-N 3.42Å; W719-R721 PolarHBondContact O-N 3.02Å |
| 720 | S | 31.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 156 Ų | 156 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | -56 | 107.7 | 169.5 | -63.4 | 0 | 0 | 0 | 0 | 108.4 | C718 | C718-S720 PolarHBondContact O-N 3.47Š|
| 721 | R | 27.7 | Very low | 30.3 | Very low | 226 Ų | 226 | 154.1 Ų | 154.1 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 142.6 | 167.8 | -78.1 | -178.6 | 164.2 | -128 | -4.1 | 108.1 | W719 S723 | W719-R721 PolarHBondContact O-N 3.02Å; R721-S723 PolarHBondContact O-N 3.22Å; R721-S723 VanDerWaalsContact O-N 3.11Å |
| 722 | P | 31.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 122.5 | 161.7 | -23.8 | 33.9 | 0 | 0 | 0 | 108.6 | | |
| 723 | S | 29.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 156.6 Ų | 156.6 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 140.5 | 170.7 | -67.3 | 0 | 0 | 0 | 0 | 108.4 | R721 T725 | R721-S723 PolarHBondContact O-N 3.22Å; R721-S723 VanDerWaalsContact O-N 3.11Å; S723-T725 VanDerWaalsContact C-N 3.29Å; S723-T725 PolarHBondContact O-N 2.98Å |
| 724 | P | 31.1 | Very low | 30.5 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -68.1 | 91.8 | 174.5 | 28.7 | -33.4 | 0 | 0 | 0 | 108.9 | S726 | P724-S726 PolarHBondContact O-N 3.3Š|
| 725 | T | 34.2 | Very low | 30.5 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | | | trans | -56.3 | 125.2 | 171.8 | 43.3 | 0 | 0 | 0 | 0 | 108.4 | S723 C727 | S723-T725 VanDerWaalsContact C-N 3.29Å; S723-T725 PolarHBondContact O-N 2.98Å; T725-C727 PolarHBondContact O-N 3.41Å |
| 726 | S | 29.1 | Very low | 30.4 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -59.1 | 92.3 | -167.4 | -171.7 | 0 | 0 | 0 | 0 | 112.7 | P724 K728 | P724-S726 PolarHBondContact O-N 3.3Å; S726-K728 PolarHBondContact O-N 2.98Å |
| 727 | C | 27.3 | Very low | 30.4 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -69.3 | 84.6 | 164.8 | -65.8 | 0 | 0 | 0 | 0 | 108 | T725 T729 | T725-C727 PolarHBondContact O-N 3.41Å; C727-T729 PolarHBondContact O-N 3.05Å |
| 728 | K | 32.2 | Very low | 30.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | -49.6 | 120.1 | 178.4 | -66.7 | 176.4 | -179.7 | 175.7 | 0 | 109.2 | S726 | S726-K728 PolarHBondContact O-N 2.98Š|
| 729 | T | 29.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | trans | -57.6 | 127.1 | 163.1 | 48.3 | 0 | 0 | 0 | 0 | 108.2 | C727 K731 | C727-T729 PolarHBondContact O-N 3.05Å; T729-K731 PolarHBondContact O-N 3.4Å |
| 730 | P | 29.6 | Very low | 30.6 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -65.3 | 103.4 | 172.4 | 26.6 | -32.5 | 0 | 0 | 0 | 108.5 | L732 | P730-L732 VanDerWaalsContact C-N 3.33Å; P730-L732 PolarHBondContact O-N 2.88Å; P730-L732 VanDerWaalsContact O-N 3.11Å |
| 731 | K | 32.6 | Very low | 30.6 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | -71.8 | 96 | 160.3 | -80.7 | -172.3 | 171.9 | -171.9 | 0 | 106.4 | T729 S733 | T729-K731 PolarHBondContact O-N 3.4Å; K731-S733 VanDerWaalsContact C-N 3.35Å; K731-S733 PolarHBondContact O-N 2.91Å; K731-S733 VanDerWaalsContact O-N 3.16Å |
| 732 | L | 30.4 | Very low | 30.8 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | -75.1 | 96.3 | 161.6 | -71.7 | 170.3 | 0 | 0 | 0 | 106.9 | P730 | P730-L732 VanDerWaalsContact C-N 3.33Å; P730-L732 PolarHBondContact O-N 2.88Å; P730-L732 VanDerWaalsContact O-N 3.11Å |
| 733 | S | 32.5 | Very low | 30.7 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | | | trans | -123.6 | 100.7 | 175.4 | 51.2 | 0 | 0 | 0 | 0 | 109.1 | K731 | K731-S733 VanDerWaalsContact C-N 3.35Å; K731-S733 PolarHBondContact O-N 2.91Å; K731-S733 VanDerWaalsContact O-N 3.16Å |
| 734 | S | 29.6 | Very low | 30.9 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | 41.9 | 116.4 | 140 | 58 | 0 | 0 | 0 | 0 | 119.6 | | |
| 735 | D | 30.2 | Very low | 30.9 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | 94.2 | 147 | 135.1 | -50.7 | -18.8 | 0 | 0 | 0 | 120.8 | | |
| 736 | L | 31 | Very low | 30.8 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | 68 | 102.7 | 178.1 | -62.3 | 135 | 0 | 0 | 0 | 115.5 | | |
| 737 | H | 30.7 | Very low | 30.9 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | | 81.9 | 145.3 | 56.2 | -89.2 | -96.3 | 0 | 0 | 0 | 116 | | |
| 738 | V | 31.4 | Very low | 31.1 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | 73.9 | 123.6 | 171.1 | -175.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 739 | N | 28.7 | Very low | 31.2 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | | | cis | -154.8 | 169.1 | -10.9 | -118 | 18.1 | 0 | 0 | 0 | 111 | | |
| 740 | E | 31.8 | Very low | 31.5 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 39.9 | 133.3 | 144 | -63.9 | 165.1 | 124.9 | 0 | 0 | 120.8 | | |
| 741 | S | 31.1 | Very low | 32 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | -165.1 | 128.2 | 3.3 | 45.3 | 0 | 0 | 0 | 0 | 112 | | |
| 742 | T | 32.7 | Very low | 32.3 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | | | trans | -171.7 | 126 | 152.8 | 2.4 | 0 | 0 | 0 | 0 | 109.7 | V744 | T742-V744 PolarHBondContact O-N 3.31Š|
| 743 | N | 29.1 | Very low | 32.7 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | | | trans | -82.2 | 108.9 | -173.7 | -70.4 | -22 | 0 | 0 | 0 | 112.3 | | |
| 744 | V | 33 | Very low | 32.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -135.7 | 111.4 | 159.7 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | T742 I746 | T742-V744 PolarHBondContact O-N 3.31Å; V744-I746 HydrophobicContact CG1-CG1 4.3Å; V744-I746 PolarHBondContact O-N 3.13Å |
| 745 | S | 30.9 | Very low | 33.5 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | | | trans | -77.4 | 77.9 | -176 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | S747 | S745-S747 PolarHBondContact O-N 3.3Š|
| 746 | I | 32.3 | Very low | 33.8 | Very low | 143 Ų | 143 | 138 Ų | 138 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -72.6 | 109.8 | 169.6 | -57.2 | 178.1 | 0 | 0 | 0 | 108.6 | V744 E748 | V744-I746 HydrophobicContact CG1-CG1 4.3Å; V744-I746 PolarHBondContact O-N 3.13Å; I746-E748 PolarHBondContact O-N 3.08Å |
| 747 | S | 31.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | -69.8 | 110.5 | -179.5 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | S745 N749 | S745-S747 PolarHBondContact O-N 3.3Å; S747-N749 PolarHBondContact O-N 3.03Å |
| 748 | E | 32.7 | Very low | 35.4 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | | | trans | -70 | 90.6 | 178.4 | -67.3 | -157.8 | 121.1 | 0 | 0 | 112.5 | I746 | I746-E748 PolarHBondContact O-N 3.08Š|
| 749 | N | 32.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | trans | -126.1 | 62.5 | 170.6 | -151.5 | -22.5 | 0 | 0 | 0 | 111.5 | S747 K751 | S747-N749 PolarHBondContact O-N 3.03Å; N749-K751 PolarHBondContact O-N 3.06Å |
| 750 | S | 36.8 | Very low | 37 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 6.9 | -171.2 | 55.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 751 | K | 40.1 | Very low | 38 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -6.6 | -171.2 | -71 | 175.3 | 179.3 | 168.7 | 0 | 115.6 | N749 | N749-K751 PolarHBondContact O-N 3.06Š|
| 752 | N | 38.2 | Very low | 38.8 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | | | trans | -117 | 20.2 | -173.1 | -79.7 | -42.7 | 0 | 0 | 0 | 115.8 | S754 | N752-S754 PolarHBondContact O-N 2.75Š|
| 753 | I | 40.5 | Very low | 39.2 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 76% | 0.764 | 67% | 0.672 | S | S | * | * | | | trans | -74.8 | 96.5 | 175.9 | -56 | 179.5 | 0 | 0 | 0 | 110.3 | | |
| 754 | S | 36.2 | Very low | 39.7 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 53% | 0.531 | 67% | 0.665 | S | S | . | * | | | trans | -59.2 | 133.8 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 111 | N752 Y756 | N752-S754 PolarHBondContact O-N 2.75Å; S754-Y756 PolarHBondContact O-N 3.49Å |
| 755 | P | 42.9 | Very low | 40.4 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -75.5 | 23.6 | -179 | 33.6 | -37.9 | 0 | 0 | 0 | 113.6 | | |
| 756 | Y | 35.3 | Very low | 40.9 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -129.4 | 125.5 | -175.6 | -76.6 | -74.2 | 0 | 0 | 0 | 110.4 | S754 | S754-Y756 PolarHBondContact O-N 3.49Š|
| 757 | P | 44.8 | Very low | 41.2 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 46% | 0.461 | 63% | 0.631 | S | S | . | * | | | trans | -62.6 | 143.9 | -179.2 | 25.4 | -34.1 | 0 | 0 | 0 | 111.4 | R762 | P757-R762 PolarHBondContact O-NE 2.64Å; P757-R762 PolarHBondContact O-NH2 2.98Å |
| 758 | N | 50.1 | Low | 41.8 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | | | trans | -52.8 | 146.5 | -176.8 | -172.4 | -5.3 | 0 | 0 | 0 | 110.9 | E760 Q761 R762 | N758-E760 PolarHBondContact O-N 3.1Å; N758-Q761 PolarHBondContact O-N 3.21Å; N758-R762 WeakPolarHBondContact O-CB 3.35Å; N758-R762 PolarHBondContact O-N 3.45Å |
| 759 | I | 51.5 | Low | 42.2 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 45% | 0.451 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -56.9 | -32.7 | -178.3 | -67.1 | 175.9 | 0 | 0 | 0 | 111.1 | R762 R763 | I759-R762 CarbonylContact O-C 3.56Å; I759-R762 PolarHBondContact O-N 3.12Å; I759-R763 WeakPolarHBondContact O-CG 3.32Å; I759-R763 PolarHBondContact O-N 3.16Å |
| 760 | E | 43.3 | Very low | 42.5 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72 | -48.4 | 177.9 | -61.6 | -173.1 | 130.1 | 0 | 0 | 112.8 | N758 R762 R763 W764 | N758-E760 PolarHBondContact O-N 3.1Å; E760-R762 PolarHBondContact O-N 3.45Å; E760-R763 WeakPolarHBondContact O-CA 3.47Å; E760-R763 WeakPolarHBondContact O-CB 3.27Å; E760-R763 PolarHBondContact O-N 2.91Å; E760-W764 PolarHBondContact O-N 2.87Å |
| 761 | Q | 52 | Low | 42.4 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 53% | 0.528 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -53.1 | -44.1 | 168.1 | -80.1 | -178.9 | -31 | 0 | 0 | 110.9 | N758 R763 W764 S765 | N758-Q761 PolarHBondContact O-N 3.21Å; Q761-R763 VanDerWaalsContact C-N 3.26Å; Q761-R763 PolarHBondContact O-N 3.31Å; Q761-W764 PolarHBondContact O-N 3.46Å; Q761-S765 PolarHBondContact O-N 2.93Å; Q761-S765 PolarHBondContact O-OG 2.97Å; Q761-S765 VanDerWaalsContact O-OG 3.09Å |
| 762 | R | 47.7 | Very low | 42.3 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 36% | 0.362 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.9 | -20.1 | -179.9 | -143.2 | -176.2 | -55.1 | -168.8 | 6.4 | 113.6 | P757 N758 I759 E760 | P757-R762 PolarHBondContact O-NE 2.64Å; P757-R762 PolarHBondContact O-NH2 2.98Å; N758-R762 WeakPolarHBondContact O-CB 3.35Å; N758-R762 PolarHBondContact O-N 3.45Å; I759-R762 CarbonylContact O-C 3.56Å; I759-R762 PolarHBondContact O-N 3.12Å; E760-R762 PolarHBondContact O-N 3.45Å |
| 763 | R | 42.5 | Very low | 42.1 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.8 | -50.1 | 167 | -79.7 | 178.1 | 172.6 | -167.7 | 0.4 | 110.4 | I759 E760 Q761 S765 R766 C767 | I759-R763 WeakPolarHBondContact O-CG 3.32Å; I759-R763 PolarHBondContact O-N 3.16Å; E760-R763 WeakPolarHBondContact O-CA 3.47Å; E760-R763 WeakPolarHBondContact O-CB 3.27Å; E760-R763 PolarHBondContact O-N 2.91Å; Q761-R763 VanDerWaalsContact C-N 3.26Å; Q761-R763 PolarHBondContact O-N 3.31Å; R763-S765 PolarHBondContact O-N 3.46Å; R763-R766 CarbonylContact O-C 3.37Å; R763-R766 PolarHBondContact O-N 2.98Å; R763-R766 VanDerWaalsContact O-N 3.16Å; R763-C767 PolarHBondContact O-N 3.1Å; R763-C767 PolarHBondContact O-SG 3.24Å; R763-C767 VanDerWaalsContact O-SG 3.36Å |
| 764 | W | 39.6 | Very low | 41.8 | Very low | 199 Ų | 199 | 128.1 Ų | 128.1 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.3 | -48.5 | 177.6 | -86.9 | -32 | 0 | 0 | 0 | 112.8 | E760 Q761 R766 C767 S768 | E760-W764 PolarHBondContact O-N 2.87Å; Q761-W764 PolarHBondContact O-N 3.46Å; W764-R766 PolarHBondContact O-N 3.25Å; W764-C767 WeakPolarHBondContact O-CA 3.43Å; W764-C767 PolarHBondContact O-N 3.3Å; W764-S768 PolarHBondContact O-N 3.48Å |
| 765 | S | 46.4 | Very low | 41.6 | Very low | 69 Ų | 69 | 128 Ų | 128 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.2 | -32.1 | 177.5 | -52.5 | 0 | 0 | 0 | 0 | 113.3 | Q761 R763 Q769 | Q761-S765 PolarHBondContact O-N 2.93Å; Q761-S765 PolarHBondContact O-OG 2.97Å; Q761-S765 VanDerWaalsContact O-OG 3.09Å; R763-S765 PolarHBondContact O-N 3.46Å; S765-Q769 WeakPolarHBondContact O-CG 3.33Å; S765-Q769 PolarHBondContact O-N 3.36Å |
| 766 | R | 41 | Very low | 41.1 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 66% | 0.66 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.6 | -16.6 | 174.7 | -77.4 | -171.4 | 171.8 | -162.2 | -2.2 | 113.8 | R763 W764 H770 | R763-R766 CarbonylContact O-C 3.37Å; R763-R766 PolarHBondContact O-N 2.98Å; R763-R766 VanDerWaalsContact O-N 3.16Å; W764-R766 PolarHBondContact O-N 3.25Å; R766-H770 PolarHBondContact O-CD2 3.27Å |
| 767 | C | 39.7 | Very low | 40.9 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 49% | 0.486 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -82.6 | -47.4 | 170.8 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | R763 W764 Q769 H770 Y771 | R763-C767 PolarHBondContact O-N 3.1Å; R763-C767 PolarHBondContact O-SG 3.24Å; R763-C767 VanDerWaalsContact O-SG 3.36Å; W764-C767 WeakPolarHBondContact O-CA 3.43Å; W764-C767 PolarHBondContact O-N 3.3Å; C767-Q769 PolarHBondContact O-N 3.42Å; C767-H770 PolarHBondContact O-N 2.88Å; C767-Y771 PolarHBondContact O-N 3.05Å |
| 768 | S | 44 | Very low | 40.3 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 43% | 0.434 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -57.7 | -45.1 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | W764 H770 Y771 E772 | W764-S768 PolarHBondContact O-N 3.48Å; S768-H770 PolarHBondContact O-N 2.93Å; S768-Y771 PolarHBondContact O-N 3.1Å; S768-E772 PolarHBondContact O-N 3.24Å |
| 769 | Q | 40.5 | Very low | 39.3 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -8.4 | 177.8 | -71.5 | -175.8 | -14.8 | 0 | 0 | 114.8 | S765 C767 | S765-Q769 WeakPolarHBondContact O-CG 3.33Å; S765-Q769 PolarHBondContact O-N 3.36Å; C767-Q769 PolarHBondContact O-N 3.42Å |
| 770 | H | 39.4 | Very low | 38.2 | Very low | 160 Ų | 160 | 135 Ų | 135 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 2.5 | 170.9 | -87.1 | -65.5 | 0 | 0 | 0 | 114 | R766 C767 S768 | R766-H770 PolarHBondContact O-CD2 3.27Å; C767-H770 PolarHBondContact O-N 2.88Å; S768-H770 PolarHBondContact O-N 2.93Å |
| 771 | Y | 34.8 | Very low | 37.5 | Very low | 205 Ų | 205 | 134.6 Ų | 134.6 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -14.9 | 175.5 | -87 | -87 | 0 | 0 | 0 | 114.1 | C767 S768 K773 | C767-Y771 PolarHBondContact O-N 3.05Å; S768-Y771 PolarHBondContact O-N 3.1Å; Y771-K773 VanDerWaalsContact C-N 3.34Å; Y771-K773 PolarHBondContact O-N 2.65Å |
| 772 | E | 38.3 | Very low | 36.4 | Very low | 158 Ų | 158 | 133 Ų | 133 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -88.4 | 20.5 | -179.7 | -68.6 | -179.4 | 127.1 | 0 | 0 | 114.9 | S768 | S768-E772 PolarHBondContact O-N 3.24Š|
| 773 | K | 34.8 | Very low | 35.4 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -130.7 | -5.9 | -178 | -130.8 | 173.9 | -175.6 | 176.5 | 0 | 118 | Y771 G775 | Y771-K773 VanDerWaalsContact C-N 3.34Å; Y771-K773 PolarHBondContact O-N 2.65Å; K773-G775 VanDerWaalsContact C-N 3.32Å; K773-G775 PolarHBondContact O-N 3.28Å |
| 774 | D | 33.3 | Very low | 34.9 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -86.1 | 80.9 | 158.1 | -75.1 | -46 | 0 | 0 | 0 | 108.4 | S776 | D774-S776 VanDerWaalsContact C-N 3.32Å; D774-S776 PolarHBondContact O-N 2.78Å |
| 775 | G | 31.7 | Very low | 34.4 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 72% | 0.721 | S | S | * | * | | | trans | -66.6 | 84.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K773 R777 | K773-G775 VanDerWaalsContact C-N 3.32Å; K773-G775 PolarHBondContact O-N 3.28Å; G775-R777 PolarHBondContact O-N 3Å |
| 776 | S | 33.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | trans | -62 | 94.7 | -173.4 | -173.5 | 0 | 0 | 0 | 0 | 113.3 | D774 N778 | D774-S776 VanDerWaalsContact C-N 3.32Å; D774-S776 PolarHBondContact O-N 2.78Å; S776-N778 PolarHBondContact O-N 3.04Å |
| 777 | R | 29.8 | Very low | 33.1 | Very low | 233 Ų | 233 | 133.9 Ų | 133.9 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | | | trans | -74.8 | 95.6 | 145.1 | -83 | -175.7 | 167.7 | -179.7 | -4 | 107.9 | G775 | G775-R777 PolarHBondContact O-N 3Š|
| 778 | N | 32 | Very low | 32.5 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 178.2 | 103.6 | 130.4 | -86.3 | -13.3 | 0 | 0 | 0 | 111.9 | S776 | S776-N778 PolarHBondContact O-N 3.04Š|
| 779 | S | 29 | Very low | 31.8 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 57.8 | 140.6 | 133.7 | -52.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 780 | S | 29 | Very low | 31.3 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | 60.3 | 93.4 | 155.1 | 52.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 781 | S | 28.7 | Very low | 30.7 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | | 36.3 | 116.2 | 120.9 | 59.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 782 | G | 28.6 | Very low | 30.7 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -160.7 | 55.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 783 | F | 27.9 | Very low | 30.3 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -90.3 | 107.9 | 174.5 | -125.8 | -80.3 | 0 | 0 | 0 | 110.2 | | |
| 784 | M | 31.1 | Very low | 30.2 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | -157.9 | 124.2 | 171.6 | -67.5 | -62.4 | 165.1 | 0 | 0 | 105 | L786 | M784-L786 HydrophobicContact SD-CD1 4.1Š|
| 785 | D | 29.2 | Very low | 30.1 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | cis | 58 | 154.7 | 10 | -142.4 | -1.8 | 0 | 0 | 0 | 115.9 | | |
| 786 | L | 29 | Very low | 30.1 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | 71.5 | 116.2 | -157.8 | -51.4 | 168.2 | 0 | 0 | 0 | 111.1 | M784 | M784-L786 HydrophobicContact SD-CD1 4.1Š|
| 787 | T | 30.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 141 Ų | 141 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | cis | 61.6 | 80.8 | 23.5 | 2.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 788 | L | 27.4 | Very low | 30.3 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | trans | 35.4 | 89 | 147.4 | -64.9 | 170.9 | 0 | 0 | 0 | 118 | | |
| 789 | R | 29 | Very low | 30.4 | Very low | 245 Ų | 245 | 134.1 Ų | 134.1 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | | | trans | -167.4 | 140.5 | 132.2 | -116.8 | 169.3 | 170.9 | 171.7 | -4.4 | 116.9 | | |
| 790 | A | 30.7 | Very low | 30.6 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | 20.7 | 130.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 791 | S | 26.9 | Very low | 30.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -72 | 155.4 | 162.4 | -45.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 792 | P | 35.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | | -125.3 | 163.5 | 124.2 | 36.9 | -30.7 | 0 | 0 | 0 | 111 | | |
| 793 | G | 29.3 | Very low | 31.3 | Very low | 57 Ų | 57 | 139.6 Ų | 139.6 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | | | cis | 138.5 | 120 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 794 | Y | 31.3 | Very low | 31.6 | Very low | 222 Ų | 222 | 134.6 Ų | 134.6 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | | | trans | 70 | 149.5 | 172.2 | -52.3 | -78 | 0 | 0 | 0 | 116.2 | | |
| 795 | D | 32.7 | Very low | 31.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | cis | -153.4 | 166.9 | -4.7 | -129.9 | -24.1 | 0 | 0 | 0 | 117.8 | | |
| 796 | Q | 31.4 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | -1.6 | 140.3 | 161.1 | -72.7 | 156.8 | 75 | 0 | 0 | 123.3 | | |
| 797 | H | 33.8 | Very low | 31.9 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | | 174 | 108 | 107.4 | -93.6 | -68.4 | 0 | 0 | 0 | 111 | | |
| 798 | S | 33.1 | Very low | 32.2 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | | 65.6 | 130.6 | 96.6 | 72.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 799 | T | 35.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | | | cis | -145.5 | 150.2 | 19 | 44.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 800 | N | 32.3 | Very low | 32.9 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | | | | 52.6 | 136 | 82.7 | -93.5 | -12.3 | 0 | 0 | 0 | 114.4 | | |
| 801 | L | 35.5 | Very low | 32.9 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 71% | 0.707 | 74% | 0.735 | S | S | * | * | | | cis | -161.7 | 150.5 | 27.9 | -110.3 | 153.7 | 0 | 0 | 0 | 115.4 | | |
| 802 | N | 33.7 | Very low | 33.3 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | | | trans | 47.3 | 118.7 | 140.6 | -84.7 | 6.4 | 0 | 0 | 0 | 127.5 | | |
| 803 | T | 32.5 | Very low | 33.3 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | | 60.1 | 144.7 | 123.2 | 66.6 | 0 | 0 | 0 | 0 | 125.1 | | |
| 804 | S | 33.2 | Very low | 33.6 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | | 116.1 | 97.9 | 128.9 | -169.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 805 | R | 30.7 | Very low | 33.8 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | | | trans | 78.2 | 159.6 | 140.4 | -65.9 | 179.3 | -172.1 | -164.3 | 3.8 | 121.7 | | |
| 806 | F | 33.2 | Very low | 34 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | 83.8 | 149.3 | 164.1 | -75 | -69.7 | 0 | 0 | 0 | 120.1 | | |
| 807 | S | 31.8 | Very low | 34.2 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 52% | 0.517 | 75% | 0.745 | S | S | . | * | | | trans | -111.3 | 153.7 | -166 | 44.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 808 | H | 36.4 | Very low | 34.2 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | | | | 167.9 | 153.9 | 113.5 | -81.7 | -60.3 | 0 | 0 | 0 | 110 | | |
| 809 | S | 30 | Very low | 34.3 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | -85.2 | 156.4 | 161.6 | -142.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 810 | P | 41 | Very low | 34.2 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | | -146.2 | -172.7 | 78.7 | 39.7 | -21.8 | 0 | 0 | 0 | 115.2 | | |
| 811 | E | 30.7 | Very low | 34.6 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | trans | -69 | 164.1 | 170.3 | -54.9 | 163.4 | 112.4 | 0 | 0 | 112.4 | | |
| 812 | I | 36.6 | Very low | 34.5 | Very low | 153 Ų | 153 | 145 Ų | 145 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | | 168.5 | 115.1 | 129.2 | -87.7 | 160.4 | 0 | 0 | 0 | 112.7 | | |
| 813 | H | 35.3 | Very low | 34.6 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 53 | 142.8 | 143.7 | -77.7 | -78 | 0 | 0 | 0 | 126.8 | | |
| 814 | R | 35.8 | Very low | 34.7 | Very low | 209 Ų | 209 | 145.9 Ų | 145.9 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | | | trans | 83.9 | 104.3 | 138.1 | -77.1 | 165.5 | -173.5 | -175.7 | 2.5 | 121.7 | | |
| 815 | N | 34.2 | Very low | 34.8 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | | | | 54 | 151.9 | 113.6 | -59.5 | 7.2 | 0 | 0 | 0 | 123.1 | | |
| 816 | H | 38.6 | Very low | 35 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | 74.2 | 146.1 | 169.8 | -42.4 | -81.7 | 0 | 0 | 0 | 115.5 | | |
| 817 | G | 33.9 | Very low | 35.3 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | cis | 159.2 | 112.8 | -15.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 818 | S | 35.2 | Very low | 36 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | 77.5 | 152 | 158.9 | -151.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 819 | Q | 35.1 | Very low | 35.9 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | 74.9 | 140.7 | 157.5 | -76.9 | 151 | 12.3 | 0 | 0 | 122.3 | | |
| 820 | Y | 32.2 | Very low | 36.3 | Very low | 217 Ų | 217 | 145 Ų | 145 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -91.1 | 169.5 | 178.1 | -71.5 | -95 | 0 | 0 | 0 | 111.9 | | |
| 821 | P | 40.9 | Very low | 36 | Very low | 131 Ų | 131 | 149 Ų | 149 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | | -143.1 | -175.9 | 104.5 | 38.1 | -23.5 | 0 | 0 | 0 | 115.3 | | |
| 822 | S | 33.9 | Very low | 36.3 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -124 | 155.8 | -165 | -42.6 | 0 | 0 | 0 | 0 | 115 | | |
| 823 | S | 36 | Very low | 36.3 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -168.2 | 137.6 | 157.7 | 39.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 824 | I | 33.5 | Very low | 36.3 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | cis | 113 | 143.3 | 26.5 | -79.4 | 172.6 | 0 | 0 | 0 | 111.4 | | |
| 825 | S | 36.8 | Very low | 36.2 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | 91.6 | 146 | 175.6 | 83.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 826 | R | 34.7 | Very low | 36.3 | Very low | 242 Ų | 242 | 145 Ų | 145 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | | | cis | -160.1 | 160.4 | -10 | -118.3 | 169 | -170.6 | -173.3 | 2.4 | 110.2 | | |
| 827 | S | 38.6 | Very low | 36.2 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -133.9 | 157.4 | -176.9 | -35.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 828 | P | 45.8 | Very low | 36 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | trans | -142.3 | 173.3 | 147.7 | 39.3 | -25.1 | 0 | 0 | 0 | 113.8 | | |
| 829 | S | 34.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 153.2 Ų | 153.2 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | cis | -171 | -172.3 | -39 | 67.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 830 | L | 38.5 | Very low | 36.1 | Very low | 150 Ų | 150 | 152 Ų | 152 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | 83.4 | 141.7 | 173.2 | -52 | 176.2 | 0 | 0 | 0 | 117.9 | | |
| 831 | R | 35.4 | Very low | 36.2 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | cis | -169.1 | 135.5 | -29.9 | -134.6 | -171.5 | -171.3 | 178.8 | 2.3 | 111.2 | | |
| 832 | N | 37.4 | Very low | 36 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | 63.5 | 155.3 | 153.2 | -68.3 | 5.4 | 0 | 0 | 0 | 119.2 | | |
| 833 | S | 35.9 | Very low | 35.9 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | cis | -159.7 | 152.7 | 0.1 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 834 | R | 35 | Very low | 35.5 | Very low | 224 Ų | 224 | 155.7 Ų | 155.7 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | 39.7 | 150.1 | 136.5 | -68 | -171 | 166.2 | 163.1 | -5.5 | 121.8 | | |
| 835 | N | 35 | Very low | 35.5 | Very low | 109 Ų | 109 | 153.6 Ų | 153.6 | 58% | 0.583 | 76% | 0.759 | S | S | * | * | | | cis | -169.6 | 160.2 | -12.7 | -113.8 | 24.9 | 0 | 0 | 0 | 108.7 | | |
| 836 | E | 35.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | | | trans | 61.8 | 165.9 | 145.2 | -70.7 | 174.1 | -106.9 | 0 | 0 | 120.1 | | |
| 837 | H | 36.5 | Very low | 35.4 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | | | cis | -158.3 | 146 | -46.5 | -124.6 | -38.4 | 0 | 0 | 0 | 109.7 | | |
| 838 | Y | 30.6 | Very low | 35.4 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | | | trans | 66.7 | 140.2 | 150.4 | -82.4 | -60.1 | 0 | 0 | 0 | 124.7 | | |
| 839 | R | 35.9 | Very low | 34.9 | Very low | 207 Ų | 207 | 149.7 Ų | 149.7 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | | | trans | 81.6 | 99.5 | 139.3 | -74.7 | 174.3 | -179.6 | -158.3 | -2 | 122.8 | | |
| 840 | H | 35.2 | Very low | 34.8 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | | 51.9 | 116.7 | 118.6 | -69.3 | -59.8 | 0 | 0 | 0 | 122.9 | | |
| 841 | H | 33.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | | | | 81 | 155.3 | 127.9 | -71.2 | -41 | 0 | 0 | 0 | 121 | | |
| 842 | P | 38.3 | Very low | 34.6 | Very low | 106 Ų | 106 | 152.4 Ų | 152.4 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | trans | -122.1 | 171.4 | -134.7 | 43.3 | -34.6 | 0 | 0 | 0 | 115.7 | | |
| 843 | N | 32 | Very low | 34.5 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | -161 | 132.1 | 150.3 | -113.5 | -51.4 | 0 | 0 | 0 | 115.6 | | |
| 844 | R | 27.5 | Very low | 34.8 | Very low | 227 Ų | 227 | 154.3 Ų | 154.3 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | 33 | 157.5 | 136 | -78 | 179.7 | 160.5 | -164.6 | -4.4 | 124.3 | | |
| 845 | S | 31.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | 85.5 | 148.6 | 168 | 83.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 846 | S | 38.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 151.9 Ų | 151.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | cis | -133.9 | 172.4 | 17.5 | -74.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 847 | N | 32.4 | Very low | 34.8 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -100 | 146.6 | -173.4 | -60.3 | -49.6 | 0 | 0 | 0 | 114.4 | | |
| 848 | S | 38.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -173.5 | 141.4 | 147 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 849 | A | 35.2 | Very low | 34.9 | Very low | 105 Ų | 105 | 157.2 Ų | 157.2 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | cis | -153 | 168.6 | -14.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 850 | S | 32.1 | Very low | 35 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -102 | 160 | -168.3 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 851 | K | 36.2 | Very low | 34.8 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | | | trans | -158.7 | 140.3 | 143.8 | -118.4 | 164.8 | -173.2 | 174.4 | 0 | 114.2 | | |
| 852 | Y | 33.3 | Very low | 35.1 | Very low | 219 Ų | 219 | 151.9 Ų | 151.9 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | 73.7 | 147.4 | 176.7 | -65.2 | -76.8 | 0 | 0 | 0 | 119 | | |
| 853 | H | 36.3 | Very low | 34.8 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | | | trans | -133.5 | 172.8 | -150.2 | -111.9 | -19.2 | 0 | 0 | 0 | 112 | | |
| 854 | P | 40.6 | Very low | 35 | Very low | 96 Ų | 96 | 160.1 Ų | 160.1 | 62% | 0.623 | 82% | 0.815 | S | S | * | * | | | trans | -118 | -170.5 | -157.2 | 44.1 | -34.7 | 0 | 0 | 0 | 114.1 | | |
| 855 | C | 34.9 | Very low | 35.5 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | | | trans | -128.7 | 108.8 | 156.9 | -98.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 856 | Q | 34.7 | Very low | 35.6 | Very low | 148 Ų | 148 | 153.8 Ų | 153.8 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | | | trans | -84.9 | 148.5 | 169.3 | -66.1 | 172.4 | -27.9 | 0 | 0 | 110.8 | | |
| 857 | R | 37.4 | Very low | 35.6 | Very low | 253 Ų | 253 | 155.8 Ų | 155.8 | 96% | 0.955 | 81% | 0.813 | S | S | * | * | | | trans | -141.7 | 138 | 133.7 | -72.5 | -157.6 | 173.9 | -161.6 | -3.3 | 109.7 | | |
| 858 | H | 33.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 65% | 0.648 | 80% | 0.802 | S | S | * | * | | | trans | -82.3 | 166.8 | 179.9 | -62.4 | -108.6 | 0 | 0 | 0 | 111.3 | | |
| 859 | Y | 35.3 | Very low | 35.6 | Very low | 203 Ų | 203 | 156.7 Ų | 156.7 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | | -173.9 | 116.1 | 105.6 | -105.2 | -76.3 | 0 | 0 | 0 | 113.8 | | |
| 860 | K | 38.1 | Very low | 35.9 | Very low | 179 Ų | 179 | 157.7 Ų | 157.7 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | | | trans | 27.7 | 126.1 | 149.7 | -59.2 | 179.7 | -177.5 | -178.6 | 0 | 121.6 | | |
| 861 | S | 31.7 | Very low | 36 | Very low | 111 Ų | 111 | 158.7 Ų | 158.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -76.7 | 171 | 146.3 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 862 | P | 38.5 | Very low | 36 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | | -138.4 | 161.1 | 111.4 | 38.5 | -28.4 | 0 | 0 | 0 | 114.5 | | |
| 863 | E | 31.9 | Very low | 36.2 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -87.9 | 158.9 | 174.3 | -54.2 | 166.4 | 124.3 | 0 | 0 | 111.8 | | |
| 864 | R | 37.3 | Very low | 36.4 | Very low | 238 Ų | 238 | 153.4 Ų | 153.4 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | | | trans | -165.1 | 129 | 137 | -114.3 | 171 | -170.5 | -147.7 | -1.4 | 114.4 | | |
| 865 | S | 37.6 | Very low | 36.2 | Very low | 110 Ų | 110 | 156.3 Ų | 156.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | 35.8 | 120.8 | 145.6 | 56.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 866 | A | 33.9 | Very low | 36.4 | Very low | 97 Ų | 97 | 159.4 Ų | 159.4 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | trans | -74.3 | 157.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 867 | L | 38.1 | Very low | 36.5 | Very low | 158 Ų | 158 | 157.4 Ų | 157.4 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | -163.8 | 110.2 | 146.8 | -106.4 | 167.5 | 0 | 0 | 0 | 110.3 | | |
| 868 | D | 37.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | | | trans | 57 | 130.2 | 131.2 | -79.2 | 18.6 | 0 | 0 | 0 | 126.2 | | |
| 869 | F | 34.2 | Very low | 36.8 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | 82.4 | 129.8 | 137.2 | -84.6 | -63.7 | 0 | 0 | 0 | 124.7 | | |
| 870 | T | 40.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | trans | 77.1 | 128.8 | 159.1 | 64.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 871 | P | 34.2 | Very low | 36.8 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -97.2 | 119.8 | 171.7 | 35 | -29.9 | 0 | 0 | 0 | 113 | | |
| 872 | G | 36 | Very low | 37.1 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -106.2 | 139.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 873 | K | 39.1 | Very low | 37.2 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | -87.2 | 132.6 | 177.2 | -59.7 | 170.2 | -177.1 | 169.7 | 0 | 111.1 | | |
| 874 | H | 40.5 | Very low | 37.4 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | | | trans | -144.6 | 114.1 | 153.1 | -93.6 | -73.4 | 0 | 0 | 0 | 112.5 | | |
| 875 | N | 35.3 | Very low | 37.5 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | | | trans | -86.5 | 142.9 | 161.4 | -76.4 | -20.9 | 0 | 0 | 0 | 109.3 | | |
| 876 | K | 38.6 | Very low | 37.3 | Very low | 199 Ų | 199 | 148.6 Ų | 148.6 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | | | trans | -178.5 | 141.4 | 139.4 | -105.4 | 164 | -174.5 | -176.9 | 0 | 112 | | |
| 877 | S | 37.9 | Very low | 37.4 | Very low | 107 Ų | 107 | 154.7 Ų | 154.7 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | | | trans | 42.7 | 142.1 | 146.8 | 56.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 878 | S | 38.3 | Very low | 37.1 | Very low | 102 Ų | 102 | 153.4 Ų | 153.4 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | | | cis | -175.3 | -168 | -4.8 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 879 | V | 39.1 | Very low | 37 | Very low | 140 Ų | 140 | 155.9 Ų | 155.9 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | | | trans | 79.7 | 130.4 | 171.7 | -168.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 880 | S | 33.4 | Very low | 37 | Very low | 106 Ų | 106 | 155.8 Ų | 155.8 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | | | trans | -136.8 | 162.5 | 175.6 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 881 | S | 39.7 | Very low | 36.7 | Very low | 116 Ų | 116 | 154.8 Ų | 154.8 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | trans | -171.6 | 152.5 | 135 | 35.2 | 0 | 0 | 0 | 0 | 111 | | |
| 882 | N | 37.8 | Very low | 36.9 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | | | trans | -81.9 | 143.7 | -168.3 | -56.8 | -57.9 | 0 | 0 | 0 | 112.8 | | |
| 883 | Q | 40.2 | Very low | 36.9 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | | 161.1 | 125.9 | 122.5 | -85.7 | -67.7 | -15.5 | 0 | 0 | 110.7 | K885 | Q883-K885 PolarHBondContact O-N 2.92Š|
| 884 | P | 35.6 | Very low | 37 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -81.4 | 103.2 | -176.6 | 31.5 | -33.8 | 0 | 0 | 0 | 112.5 | R886 | P884-R886 PolarHBondContact O-N 3.37Š|
| 885 | K | 40.4 | Very low | 37 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | trans | -65.7 | 119.4 | 168.3 | -87 | -177.6 | 175 | 175.6 | 0 | 110.6 | Q883 R887 | Q883-K885 PolarHBondContact O-N 2.92Å; K885-R887 PolarHBondContact O-N 2.95Å |
| 886 | R | 33.2 | Very low | 37.2 | Very low | 253 Ų | 253 | 147.2 Ų | 147.2 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | | | trans | -42.5 | 125.7 | 171 | -73.7 | 172.4 | 162 | -179 | -6.2 | 110.9 | P884 | P884-R886 PolarHBondContact O-N 3.37Š|
| 887 | R | 36.2 | Very low | 37.4 | Very low | 225 Ų | 225 | 142.6 Ų | 142.6 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | | | trans | -125.1 | 119.8 | 165.1 | -151.4 | 169.6 | -173.5 | 168.6 | 1.2 | 109 | K885 H889 | K885-R887 PolarHBondContact O-N 2.95Å; R887-H889 PolarHBondContact O-N 3.43Å |
| 888 | T | 32.2 | Very low | 37.9 | Very low | 131 Ų | 131 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -67.7 | 107 | -176.4 | 18.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 889 | H | 35 | Very low | 38.4 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 120.1 | 164 | -80.2 | -89.3 | 0 | 0 | 0 | 109 | R887 S891 | R887-H889 PolarHBondContact O-N 3.43Å; H889-S891 PolarHBondContact O-N 2.95Å |
| 890 | H | 35 | Very low | 38.8 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124.2 | 174.2 | -68.3 | -99.4 | 0 | 0 | 0 | 109.8 | | |
| 891 | S | 32.9 | Very low | 39.5 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 126.6 | 168.3 | -64.9 | 0 | 0 | 0 | 0 | 109.4 | H889 V893 | H889-S891 PolarHBondContact O-N 2.95Å; S891-V893 PolarHBondContact O-N 3.47Å |
| 892 | P | 38.1 | Very low | 39.8 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | trans | -67 | 110.8 | 171.1 | 27.4 | -32.2 | 0 | 0 | 0 | 108.3 | P894 | P892-P894 WeakPolarHBondContact O-CD 3.36Š|
| 893 | V | 37.1 | Very low | 40.3 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 120.3 | 173.6 | 177 | 0 | 0 | 0 | 0 | 107.7 | S891 | S891-V893 PolarHBondContact O-N 3.47Š|
| 894 | P | 40.7 | Very low | 41.1 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 127.6 | 178.1 | 26.5 | -32.8 | 0 | 0 | 0 | 108.2 | P892 T896 | P892-P894 WeakPolarHBondContact O-CD 3.36Å; P894-T896 PolarHBondContact O-N 2.66Å |
| 895 | P | 39.8 | Very low | 42.2 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60 | 131.5 | -174.7 | 23 | -33.1 | 0 | 0 | 0 | 110.1 | N897 | P895-N897 PolarHBondContact O-N 2.9Š|
| 896 | T | 40.3 | Very low | 43 | Very low | 142 Ų | 142 | 139 Ų | 139 | 87% | 0.871 | 71% | 0.712 | S | S | * | * | | | trans | -72.7 | 39.6 | -175.7 | 41.9 | 0 | 0 | 0 | 0 | 113.2 | P894 S898 | P894-T896 PolarHBondContact O-N 2.66Å; T896-S898 PolarHBondContact O-N 3.31Å |
| 897 | N | 41.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 55% | 0.551 | 70% | 0.7 | S | S | * | * | | | trans | -75.7 | 97.3 | -179.4 | -166 | -27.6 | 0 | 0 | 0 | 110.4 | P895 N899 S900 | P895-N897 PolarHBondContact O-N 2.9Å; N897-N899 PolarHBondContact O-N 3.09Å; N897-N899 VanDerWaalsContact O-N 3.08Å; N897-N899 PolarHBondContact OD1-N 2.88Å; N897-N899 VanDerWaalsContact OD1-N 3.13Å; N897-S900 PolarHBondContact O-N 3Å |
| 898 | S | 49 | Very low | 45.8 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -16.2 | 178.7 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | T896 | T896-S898 PolarHBondContact O-N 3.31Š|
| 899 | N | 48 | Very low | 47.4 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 17.2 | -178 | -70 | -42.5 | 0 | 0 | 0 | 114.4 | N897 S901 | N897-N899 PolarHBondContact O-N 3.09Å; N897-N899 VanDerWaalsContact O-N 3.08Å; N897-N899 PolarHBondContact OD1-N 2.88Å; N897-N899 VanDerWaalsContact OD1-N 3.13Å; N899-S901 PolarHBondContact O-N 3.47Å |
| 900 | S | 48.1 | Very low | 48.9 | Very low | 48 Ų | 48 | 129.7 Ų | 129.7 | 34% | 0.336 | 67% | 0.666 | S | S | . | * | | | trans | -59.3 | 130.8 | 177 | 97.5 | 0 | 0 | 0 | 0 | 111.5 | N897 F902 R903 R904 | N897-S900 PolarHBondContact O-N 3Å; S900-F902 PolarHBondContact O-N 2.85Å; S900-F902 VanDerWaalsContact O-N 3.14Å; S900-R903 PolarHBondContact O-N 3.24Å; S900-R903 VanDerWaalsContact O-N 3.11Å; S900-R903 PolarHBondContact OG-N 3.31Å; S900-R904 PolarHBondContact O-N 3.31Å |
| 901 | S | 49 | Very low | 50.1 | Low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.6 | -29.5 | -176.9 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | N899 R904 F905 | N899-S901 PolarHBondContact O-N 3.47Å; S901-R904 PolarHBondContact O-N 3.25Å; S901-F905 PolarHBondContact O-N 3.47Å |
| 902 | F | 45.4 | Very low | 51.3 | Low | 159 Ų | 159 | 125.4 Ų | 125.4 | 70% | 0.697 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.9 | -50.3 | 175.1 | -135.6 | -88.5 | 0 | 0 | 0 | 112 | S900 R904 F905 E906 | S900-F902 PolarHBondContact O-N 2.85Å; S900-F902 VanDerWaalsContact O-N 3.14Å; F902-R904 VanDerWaalsContact C-N 3.29Å; F902-R904 PolarHBondContact O-N 2.98Å; F902-F905 WeakPolarHBondContact O-CB 3.42Å; F902-F905 PolarHBondContact O-N 3Å; F902-E906 PolarHBondContact O-N 3.04Å |
| 903 | R | 48.7 | Very low | 51.9 | Low | 172 Ų | 172 | 124.8 Ų | 124.8 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.5 | -28 | 176.4 | -74.2 | -168.8 | -177.5 | -130.9 | 6.3 | 112.5 | S900 R907 | S900-R903 PolarHBondContact O-N 3.24Å; S900-R903 VanDerWaalsContact O-N 3.11Å; S900-R903 PolarHBondContact OG-N 3.31Å; R903-R907 WeakPolarHBondContact O-CG 3.5Å; R903-R907 PolarHBondContact O-N 2.91Å |
| 904 | R | 57.7 | Low | 52.8 | Low | 183 Ų | 183 | 123 Ų | 123 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.7 | -46.2 | 171.2 | -158.7 | 176.6 | -169 | 166.9 | 5.7 | 110.9 | S900 S901 F902 E906 R907 E908 | S900-R904 PolarHBondContact O-N 3.31Å; S901-R904 PolarHBondContact O-N 3.25Å; F902-R904 VanDerWaalsContact C-N 3.29Å; F902-R904 PolarHBondContact O-N 2.98Å; R904-E906 PolarHBondContact O-N 3.03Å; R904-R907 PolarHBondContact O-N 2.9Å; R904-E908 PolarHBondContact O-N 2.69Å |
| 905 | F | 57.8 | Low | 53.4 | Low | 143 Ų | 143 | 127.6 Ų | 127.6 | 63% | 0.627 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.6 | -38 | 176.6 | -145.1 | -94.5 | 0 | 0 | 0 | 112.4 | S901 F902 E908 R909 | S901-F905 PolarHBondContact O-N 3.47Å; F902-F905 WeakPolarHBondContact O-CB 3.42Å; F902-F905 PolarHBondContact O-N 3Å; F905-E908 PolarHBondContact O-N 3.46Å; F905-R909 WeakPolarHBondContact O-CB 3.4Å; F905-R909 PolarHBondContact O-N 3.45Å |
| 906 | E | 57.2 | Low | 53.8 | Low | 103 Ų | 103 | 129.7 Ų | 129.7 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.8 | -44.7 | 173 | -71.5 | -174.1 | 137.7 | 0 | 0 | 112.8 | F902 R904 E908 R909 I910 | F902-E906 PolarHBondContact O-N 3.04Å; R904-E906 PolarHBondContact O-N 3.03Å; E906-E908 VanDerWaalsContact C-N 3.3Å; E906-E908 PolarHBondContact O-N 3.06Å; E906-R909 WeakPolarHBondContact O-CB 3.44Å; E906-R909 PolarHBondContact O-N 3.38Å; E906-R909 VanDerWaalsContact O-N 3.14Å; E906-I910 WeakPolarHBondContact O-CG1 3.29Å; E906-I910 PolarHBondContact O-N 3.48Å |
| 907 | R | 63.8 | Low | 54.1 | Low | 185 Ų | 185 | 129.4 Ų | 129.4 | 70% | 0.698 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.3 | -39.3 | 174.8 | -77.4 | -174.4 | 178.9 | -169.4 | 1 | 112.1 | R903 R904 N911 | R903-R907 WeakPolarHBondContact O-CG 3.5Å; R903-R907 PolarHBondContact O-N 2.91Å; R904-R907 PolarHBondContact O-N 2.9Å; R907-N911 WeakPolarHBondContact O-CB 3.46Å; R907-N911 PolarHBondContact O-N 3.22Å; R907-N911 PolarHBondContact O-ND2 3.03Å |
| 908 | E | 64.3 | Low | 54.3 | Low | 114 Ų | 114 | 134.7 Ų | 134.7 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.8 | -41.6 | 173.4 | -75.7 | 175.5 | 179.7 | 0 | 0 | 111.8 | R904 F905 E906 I910 N911 L912 | R904-E908 PolarHBondContact O-N 2.69Å; F905-E908 PolarHBondContact O-N 3.46Å; E906-E908 VanDerWaalsContact C-N 3.3Å; E906-E908 PolarHBondContact O-N 3.06Å; E908-I910 PolarHBondContact O-N 3.39Å; E908-N911 PolarHBondContact O-N 2.98Å; E908-L912 WeakPolarHBondContact O-CB 3.45Å; E908-L912 PolarHBondContact O-N 3.31Å |
| 909 | R | 66.8 | Low | 53.9 | Low | 190 Ų | 190 | 134 Ų | 134 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.6 | -46.4 | 175 | -134.9 | 177.5 | -174.8 | -173.1 | -0.2 | 111.9 | F905 E906 L912 H913 | F905-R909 WeakPolarHBondContact O-CB 3.4Å; F905-R909 PolarHBondContact O-N 3.45Å; E906-R909 WeakPolarHBondContact O-CB 3.44Å; E906-R909 PolarHBondContact O-N 3.38Å; E906-R909 VanDerWaalsContact O-N 3.14Å; R909-L912 PolarHBondContact O-N 2.93Å; R909-H913 PolarHBondContact O-N 3.48Å |
| 910 | I | 64.8 | Low | 53.2 | Low | 100 Ų | 100 | 134 Ų | 134 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.6 | -44.7 | 178.6 | -66.7 | 164 | 0 | 0 | 0 | 110.6 | E906 E908 L912 H913 N914 | E906-I910 WeakPolarHBondContact O-CG1 3.29Å; E906-I910 PolarHBondContact O-N 3.48Å; E908-I910 PolarHBondContact O-N 3.39Å; I910-L912 VanDerWaalsContact C-N 3.34Å; I910-L912 PolarHBondContact O-N 2.86Å; I910-H913 PolarHBondContact O-N 2.85Å; I910-N914 WeakPolarHBondContact O-CB 3.47Å; I910-N914 PolarHBondContact O-N 2.94Å |
| 911 | N | 60.8 | Low | 52.4 | Low | 99 Ų | 99 | 135.1 Ų | 135.1 | 53% | 0.529 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.3 | -37.4 | 175.3 | -89.6 | -36.3 | 0 | 0 | 0 | 112.8 | R907 E908 H913 R915 | R907-N911 WeakPolarHBondContact O-CB 3.46Å; R907-N911 PolarHBondContact O-N 3.22Å; R907-N911 PolarHBondContact O-ND2 3.03Å; E908-N911 PolarHBondContact O-N 2.98Å; N911-H913 VanDerWaalsContact C-N 3.35Å; N911-R915 WeakPolarHBondContact O-CB 3.31Å; N911-R915 WeakPolarHBondContact O-CG 3.49Å; N911-R915 PolarHBondContact O-N 3Å |
| 912 | L | 58.8 | Low | 51.6 | Low | 95 Ų | 95 | 135 Ų | 135 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.7 | -37.2 | 174.9 | -157.8 | 79.8 | 0 | 0 | 0 | 111.4 | E908 R909 I910 R916 | E908-L912 WeakPolarHBondContact O-CB 3.45Å; E908-L912 PolarHBondContact O-N 3.31Å; R909-L912 PolarHBondContact O-N 2.93Å; I910-L912 VanDerWaalsContact C-N 3.34Å; I910-L912 PolarHBondContact O-N 2.86Å; L912-R916 WeakPolarHBondContact O-CB 3.41Å; L912-R916 WeakPolarHBondContact O-CG 3.44Å; L912-R916 PolarHBondContact O-N 3.12Å |
| 913 | H | 50.7 | Low | 51 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.7 | -45 | 175.1 | -136.7 | -35.7 | 0 | 0 | 0 | 111.6 | R909 I910 N911 R916 F917 | R909-H913 PolarHBondContact O-N 3.48Å; I910-H913 PolarHBondContact O-N 2.85Å; N911-H913 VanDerWaalsContact C-N 3.35Å; H913-R916 PolarHBondContact O-N 3.35Å; H913-F917 AromaticContact CE1-CE2 3.42Å; H913-F917 VanDerWaalsContact CE1-CE2 3.42Å; H913-F917 WeakPolarHBondContact CE1-CE2 3.43Å; H913-F917 AromaticContact ND1-CD2 3.48Å; H913-F917 WeakPolarHBondContact ND1-CD2 3.48Å; H913-F917 AromaticContact ND1-CE2 3.26Å; H913-F917 VanDerWaalsContact ND1-CE2 3.26Å; H913-F917 WeakPolarHBondContact ND1-CE2 3.23Å; H913-F917 WeakPolarHBondContact O-CD2 3.44Å; H913-F917 PolarHBondContact O-N 3.49Å |
| 914 | N | 55.1 | Low | 50.2 | Low | 87 Ų | 87 | 132.1 Ų | 132.1 | 47% | 0.465 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.3 | -38.3 | 177.6 | -72.1 | -10.1 | 0 | 0 | 0 | 112.2 | I910 F917 R918 | I910-N914 WeakPolarHBondContact O-CB 3.47Å; I910-N914 PolarHBondContact O-N 2.94Å; N914-F917 PolarHBondContact O-N 3.34Å; N914-R918 PolarHBondContact O-N 3.42Å |
| 915 | R | 53.9 | Low | 48.9 | Very low | 197 Ų | 197 | 130 Ų | 130 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.9 | -39.9 | 171.1 | -79.2 | -176.4 | 174.7 | -171.3 | -1.9 | 111.8 | N911 R918 A919 | N911-R915 WeakPolarHBondContact O-CB 3.31Å; N911-R915 WeakPolarHBondContact O-CG 3.49Å; N911-R915 PolarHBondContact O-N 3Å; R915-R918 PolarHBondContact O-N 3.06Å; R915-A919 VanDerWaalsContact O-CB 3.3Å; R915-A919 WeakPolarHBondContact O-CB 3.4Å; R915-A919 PolarHBondContact O-N 3.24Å |
| 916 | R | 48.5 | Very low | 47.7 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 61% | 0.611 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -37.5 | 175.4 | -75.7 | 176.8 | 176.6 | -171.6 | -1.3 | 112.8 | L912 H913 A919 L920 | L912-R916 WeakPolarHBondContact O-CB 3.41Å; L912-R916 WeakPolarHBondContact O-CG 3.44Å; L912-R916 PolarHBondContact O-N 3.12Å; H913-R916 PolarHBondContact O-N 3.35Å; R916-A919 PolarHBondContact O-N 3.03Å; R916-L920 VanDerWaalsContact O-CB 3.28Å; R916-L920 WeakPolarHBondContact O-CB 3.27Å; R916-L920 WeakPolarHBondContact O-CG 3.36Å; R916-L920 PolarHBondContact O-N 2.95Å |
| 917 | F | 46.6 | Very low | 46.3 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 60% | 0.596 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.5 | -32.1 | 173.5 | -85.1 | -63.8 | 0 | 0 | 0 | 113.5 | H913 N914 L920 S921 | H913-F917 AromaticContact CE1-CE2 3.42Å; H913-F917 VanDerWaalsContact CE1-CE2 3.42Å; H913-F917 WeakPolarHBondContact CE1-CE2 3.43Å; H913-F917 AromaticContact ND1-CD2 3.48Å; H913-F917 WeakPolarHBondContact ND1-CD2 3.48Å; H913-F917 AromaticContact ND1-CE2 3.26Å; H913-F917 VanDerWaalsContact ND1-CE2 3.26Å; H913-F917 WeakPolarHBondContact ND1-CE2 3.23Å; H913-F917 WeakPolarHBondContact O-CD2 3.44Å; H913-F917 PolarHBondContact O-N 3.49Å; N914-F917 PolarHBondContact O-N 3.34Å; F917-L920 CarbonylContact O-C 3.55Å; F917-L920 PolarHBondContact O-N 3.13Å; F917-S921 PolarHBondContact O-N 3.27Å; F917-S921 PolarHBondContact O-OG 3.39Å |
| 918 | R | 45.3 | Very low | 44.9 | Very low | 213 Ų | 213 | 131.4 Ų | 131.4 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71 | -35.7 | 169.6 | -75 | -169.4 | 176.1 | -154.6 | -0.4 | 112.8 | N914 R915 L920 S921 | N914-R918 PolarHBondContact O-N 3.42Å; R915-R918 PolarHBondContact O-N 3.06Å; R918-L920 VanDerWaalsContact C-N 3.29Å; R918-S921 PolarHBondContact O-N 3.43Å; R918-S921 PolarHBondContact O-OG 3.02Å |
| 919 | A | 40.6 | Very low | 43.1 | Very low | 81 Ų | 81 | 136 Ų | 136 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -77.7 | -11.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R915 R916 | R915-A919 VanDerWaalsContact O-CB 3.3Å; R915-A919 WeakPolarHBondContact O-CB 3.4Å; R915-A919 PolarHBondContact O-N 3.24Å; R916-A919 PolarHBondContact O-N 3.03Å |
| 920 | L | 33.4 | Very low | 41.4 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 72% | 0.723 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 21.9 | 173.3 | -63.3 | 173.8 | 0 | 0 | 0 | 111.6 | R916 F917 R918 | R916-L920 VanDerWaalsContact O-CB 3.28Å; R916-L920 WeakPolarHBondContact O-CB 3.27Å; R916-L920 WeakPolarHBondContact O-CG 3.36Å; R916-L920 PolarHBondContact O-N 2.95Å; F917-L920 CarbonylContact O-C 3.55Å; F917-L920 PolarHBondContact O-N 3.13Å; R918-L920 VanDerWaalsContact C-N 3.29Å |
| 921 | S | 31.4 | Very low | 39.7 | Very low | 71 Ų | 71 | 144 Ų | 144 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -63.3 | 123.3 | 159 | -63.7 | 0 | 0 | 0 | 0 | 106 | F917 R918 V923 | F917-S921 PolarHBondContact O-N 3.27Å; F917-S921 PolarHBondContact O-OG 3.39Å; R918-S921 PolarHBondContact O-N 3.43Å; R918-S921 PolarHBondContact O-OG 3.02Å; S921-V923 PolarHBondContact O-N 3.39Å |
| 922 | P | 31.6 | Very low | 38.4 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | | | trans | -59.9 | 136.5 | 177.6 | 26.1 | -33.6 | 0 | 0 | 0 | 107.6 | L924 | P922-L924 HydrophobicContact CB-CG 4.3Å; P922-L924 HydrophobicContact CG-CD1 4.18Å; P922-L924 HydrophobicContact CG-CG 4.06Å; P922-L924 PolarHBondContact O-N 3.03Å |
| 923 | V | 32.7 | Very low | 37 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 84% | 0.842 | 70% | 0.7 | S | S | * | * | | | trans | -69.6 | 74.4 | 150.7 | -175.7 | 0 | 0 | 0 | 0 | 105.6 | S921 N925 | S921-V923 PolarHBondContact O-N 3.39Å; V923-N925 PolarHBondContact O-N 2.92Å |
| 924 | L | 33 | Very low | 36.1 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | | | trans | -55 | 96.9 | 148.6 | -85.8 | 166.8 | 0 | 0 | 0 | 103.8 | P922 R926 | P922-L924 HydrophobicContact CB-CG 4.3Å; P922-L924 HydrophobicContact CG-CD1 4.18Å; P922-L924 HydrophobicContact CG-CG 4.06Å; P922-L924 PolarHBondContact O-N 3.03Å; L924-R926 PolarHBondContact O-N 2.89Å |
| 925 | N | 30.6 | Very low | 35.1 | Very low | 138 Ų | 138 | 150 Ų | 150 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | -65.1 | 79.2 | 166.5 | -168 | 16 | 0 | 0 | 0 | 105.4 | V923 N927 | V923-N925 PolarHBondContact O-N 2.92Å; N925-N927 PolarHBondContact O-N 3.47Å; N925-N927 VanDerWaalsContact O-N 3.1Å |
| 926 | R | 30.8 | Very low | 33.9 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | | | trans | -56.2 | 121.4 | 179.8 | -86 | -178.2 | 164.3 | 179.9 | -5.6 | 105.1 | L924 T928 | L924-R926 PolarHBondContact O-N 2.89Å; R926-T928 PolarHBondContact O-N 3.48Å |
| 927 | N | 29.5 | Very low | 33.3 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -53.5 | 92.9 | 167.3 | -69.4 | -12.6 | 0 | 0 | 0 | 107.7 | N925 Y929 | N925-N927 PolarHBondContact O-N 3.47Å; N925-N927 VanDerWaalsContact O-N 3.1Å; N927-Y929 HydrophobicContact CB-CD2 4.07Å; N927-Y929 HydrophobicContact CB-CE2 4.13Å; N927-Y929 PolarHBondContact O-N 3.32Å |
| 928 | T | 33.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | | | trans | -72.6 | 85.2 | 170 | 42.4 | 0 | 0 | 0 | 0 | 106 | R926 R930 | R926-T928 PolarHBondContact O-N 3.48Å; T928-R930 PolarHBondContact O-N 3.14Å |
| 929 | Y | 28.1 | Very low | 32.2 | Very low | 210 Ų | 210 | 144 Ų | 144 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | trans | -59.1 | 52.5 | 146.6 | -76.1 | -90.6 | 0 | 0 | 0 | 109.8 | N927 R931 | N927-Y929 HydrophobicContact CB-CD2 4.07Å; N927-Y929 HydrophobicContact CB-CE2 4.13Å; N927-Y929 PolarHBondContact O-N 3.32Å; Y929-R931 VanDerWaalsContact C-N 3.29Å; Y929-R931 PolarHBondContact O-N 2.73Å; Y929-R931 VanDerWaalsContact O-N 3.1Å |
| 930 | R | 30.4 | Very low | 31.9 | Very low | 223 Ų | 223 | 146 Ų | 146 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | | | trans | -67.4 | 103.3 | 150.2 | -94.1 | -163.7 | 169.9 | -151.1 | -2.2 | 104.1 | T928 I932 | T928-R930 PolarHBondContact O-N 3.14Å; R930-I932 PolarHBondContact O-N 2.96Å |
| 931 | R | 29.7 | Very low | 31.8 | Very low | 236 Ų | 236 | 142.5 Ų | 142.5 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | | | trans | -45.4 | 113.3 | 173.8 | -56.3 | 171.6 | -171.5 | -170.9 | -0.2 | 107.6 | Y929 G933 | Y929-R931 VanDerWaalsContact C-N 3.29Å; Y929-R931 PolarHBondContact O-N 2.73Å; Y929-R931 VanDerWaalsContact O-N 3.1Å; R931-G933 VanDerWaalsContact C-N 3.3Å; R931-G933 PolarHBondContact O-N 3.17Å |
| 932 | I | 31.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -61.8 | 108.7 | 151.8 | -65.5 | 177.6 | 0 | 0 | 0 | 103.2 | R930 I934 | R930-I932 PolarHBondContact O-N 2.96Å; I932-I934 PolarHBondContact O-N 2.85Å |
| 933 | G | 30.2 | Very low | 32.1 | Very low | 54 Ų | 54 | 151.5 Ų | 151.5 | 56% | 0.557 | 78% | 0.784 | S | S | * | * | | | trans | -67.3 | 102.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | R931 N935 | R931-G933 VanDerWaalsContact C-N 3.3Å; R931-G933 PolarHBondContact O-N 3.17Å; G933-N935 PolarHBondContact O-N 3.24Å; G933-N935 VanDerWaalsContact O-N 3.14Å |
| 934 | I | 32.1 | Very low | 32.2 | Very low | 155 Ų | 155 | 155 Ų | 155 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | | | trans | -54.9 | 121.6 | 163.6 | -58.8 | 176.1 | 0 | 0 | 0 | 105.7 | I932 S936 | I932-I934 PolarHBondContact O-N 2.85Å; I934-S936 PolarHBondContact O-N 3.32Å |
| 935 | N | 33.2 | Very low | 32.3 | Very low | 142 Ų | 142 | 155.5 Ų | 155.5 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -61.6 | 102.6 | -170 | -79.1 | -40.7 | 0 | 0 | 0 | 110.7 | G933 L937 | G933-N935 PolarHBondContact O-N 3.24Å; G933-N935 VanDerWaalsContact O-N 3.14Å; N935-L937 PolarHBondContact O-N 3.24Å |
| 936 | S | 29.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 161 Ų | 161 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | -74.7 | 58 | 174.4 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | I934 | I934-S936 PolarHBondContact O-N 3.32Š|
| 937 | L | 35.3 | Very low | 32.8 | Very low | 132 Ų | 132 | 156.8 Ų | 156.8 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | trans | -127.2 | 78.2 | -172.7 | -93.5 | 169.2 | 0 | 0 | 0 | 112.6 | N935 | N935-L937 PolarHBondContact O-N 3.24Š|
| 938 | K | 33.5 | Very low | 33.3 | Very low | 185 Ų | 185 | 159 Ų | 159 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 73.8 | 160 | 152.9 | -56 | 177.7 | 178.5 | 178.3 | 0 | 118.9 | | |
| 939 | V | 35 | Very low | 33.6 | Very low | 138 Ų | 138 | 160.8 Ų | 160.8 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | 90.9 | 109.2 | 164.2 | -167.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 940 | S | 34.6 | Very low | 34.1 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 34.2 | 131 | 154.1 | -125.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 941 | G | 31.5 | Very low | 34.4 | Very low | 65 Ų | 65 | 155.5 Ų | 155.5 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | -96.6 | -166 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 942 | P | 37.9 | Very low | 35.4 | Very low | 133 Ų | 133 | 157.9 Ų | 157.9 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | | -124.5 | 155.5 | 126.7 | 36 | -31.9 | 0 | 0 | 0 | 112.9 | | |
| 943 | R | 31.2 | Very low | 35.5 | Very low | 226 Ų | 226 | 157.5 Ų | 157.5 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -81.7 | 145.2 | 171.8 | -69 | 171 | 167 | 163.9 | -6.6 | 110.3 | | |
| 944 | F | 36.4 | Very low | 35.8 | Very low | 212 Ų | 212 | 162.9 Ų | 162.9 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | | | trans | -141.9 | 129.6 | 140.5 | -106.3 | -78.2 | 0 | 0 | 0 | 110.8 | | |
| 945 | N | 33.2 | Very low | 36 | Very low | 141 Ų | 141 | 163.4 Ų | 163.4 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | | | trans | -89.1 | 147.3 | 175.3 | -68.4 | -24.6 | 0 | 0 | 0 | 110 | | |
| 946 | R | 36.8 | Very low | 36.2 | Very low | 255 Ų | 255 | 164.6 Ų | 164.6 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | | | trans | -153.7 | 134.9 | 132.3 | -115.6 | 169 | -172 | -173.6 | 1.4 | 112.3 | | |
| 947 | T | 35.6 | Very low | 36.6 | Very low | 119 Ų | 119 | 166.9 Ų | 166.9 | 73% | 0.73 | 82% | 0.817 | S | S | * | * | | | trans | -104.3 | 141.8 | -176.8 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 948 | H | 41 | Very low | 36.7 | Very low | 182 Ų | 182 | 169.3 Ų | 169.3 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | trans | -168.3 | 129.7 | 147.7 | -105.8 | -81 | 0 | 0 | 0 | 105.9 | | |
| 949 | H | 39.8 | Very low | 36.9 | Very low | 155 Ų | 155 | 168.1 Ų | 168.1 | 72% | 0.718 | 83% | 0.827 | S | S | * | * | | | | 57.9 | 126.6 | 51.4 | -74.9 | -8.8 | 0 | 0 | 0 | 112.9 | | |
| 950 | Q | 38.6 | Very low | 37.1 | Very low | 125 Ų | 125 | 170.5 Ų | 170.5 | 58% | 0.584 | 83% | 0.827 | S | S | * | * | | | cis | -159.7 | 165.4 | 6.9 | -124.8 | -179.4 | 50.5 | 0 | 0 | 111.3 | | |
| 951 | R | 36.2 | Very low | 37.3 | Very low | 196 Ų | 196 | 174.6 Ų | 174.6 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | | | trans | 30.5 | 124.6 | 148.2 | -67.3 | 170.5 | 178.9 | 157.4 | -12.4 | 119.4 | | |
| 952 | F | 49.4 | Very low | 37.8 | Very low | 286 Ų | 286 | 184.5 Ų | 184.5 | 100% | 1.254 | 84% | 0.839 | S | S | * | * | | | | -132.2 | 0 | 84.1 | -97.5 | -81.5 | 0 | 0 | 0 | 110 | | |