| 1 | M | 38.6 | Very low | 52.3 | Low | 245 Ų | 245 | 146.8 Ų | 146.8 | 100% | 1.207 | 74% | 0.742 | S | S | * | * | | | | 0 | 16.1 | 0 | -65.1 | -153.9 | -63.1 | 0 | 0 | 114.1 | | |
| 2 | R | 40 | Very low | 53.2 | Low | 246 Ų | 246 | 145.2 Ų | 145.2 | 93% | 0.928 | 72% | 0.72 | S | S | * | * | | | trans | -98.7 | 4.1 | -171.9 | -151.8 | -176.8 | -99.3 | -163.6 | -3.9 | 114.6 | | |
| 3 | E | 43.2 | Very low | 54.4 | Low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -101.4 | -2.8 | -169.2 | -76.6 | -179.9 | 155.7 | 0 | 0 | 115.8 | | |
| 4 | L | 46 | Very low | 55.3 | Low | 139 Ų | 139 | 136.3 Ų | 136.3 | 73% | 0.728 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -109.2 | -2.5 | -175 | -71 | 170.7 | 0 | 0 | 0 | 115.4 | G6 | L4-G6 VanDerWaalsContact C-N 3.34Š|
| 5 | D | 50.3 | Low | 56.5 | Low | 163 Ų | 163 | 138.4 Ų | 138.4 | 87% | 0.872 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -1.4 | -177.5 | -114.7 | -7 | 0 | 0 | 0 | 113.9 | | |
| 6 | G | 48.7 | Very low | 57.4 | Low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -3.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L4 D8 | L4-G6 VanDerWaalsContact C-N 3.34Å; G6-D8 PolarHBondContact O-N 3.48Å |
| 7 | D | 55.9 | Low | 58.3 | Low | 70 Ų | 70 | 132.9 Ų | 132.9 | 37% | 0.374 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -69.4 | 107.9 | 180 | -90.8 | -10.5 | 0 | 0 | 0 | 109.2 | S9 | D7-S9 PolarHBondContact O-N 3.32Å; D7-S9 VanDerWaalsContact O-N 3.09Å |
| 8 | D | 58.9 | Low | 59.1 | Low | 105 Ų | 105 | 130.7 Ų | 130.7 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | | | trans | -38.6 | 118.8 | 173.4 | -123.4 | -29.1 | 0 | 0 | 0 | 108.7 | G6 R10 L11 R12 | G6-D8 PolarHBondContact O-N 3.48Å; D8-R10 CarbonylContact O-C 3.58Å; D8-R10 PolarHBondContact O-N 3.02Å; D8-L11 HydrophobicContact CB-CB 4.17Å; D8-L11 HydrophobicContact CB-CD1 3.89Å; D8-L11 HydrophobicContact CB-CG 4.05Å; D8-L11 WeakPolarHBondContact O-CA 3.11Å; D8-L11 WeakPolarHBondContact O-CB 3.13Å; D8-L11 PolarHBondContact O-N 3.31Å; D8-R12 PolarHBondContact O-N 3.14Å |
| 9 | S | 60.9 | Low | 60 | Low | 76 Ų | 76 | 128.1 Ų | 128.1 | 53% | 0.531 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -51.6 | -30.9 | -174 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | D7 E13 | D7-S9 PolarHBondContact O-N 3.32Å; D7-S9 VanDerWaalsContact O-N 3.09Å; S9-E13 VanDerWaalsContact O-CB 3.32Å; S9-E13 WeakPolarHBondContact O-CB 3.37Å; S9-E13 PolarHBondContact O-N 3.34Å |
| 10 | R | 66.7 | Low | 60.9 | Low | 199 Ų | 199 | 126.6 Ų | 126.6 | 75% | 0.751 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.2 | -40.9 | 173.4 | -65.2 | -176.2 | 174.3 | -173.5 | -0.3 | 114.2 | D8 R12 A14 | D8-R10 CarbonylContact O-C 3.58Å; D8-R10 PolarHBondContact O-N 3.02Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R10-A14 VanDerWaalsContact O-CB 3.26Å; R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.02Å |
| 11 | L | 66.4 | Low | 61.4 | Low | 111 Ų | 111 | 127 Ų | 127 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.1 | -39.9 | 175.2 | -76.6 | 172 | 0 | 0 | 0 | 110.5 | D8 A14 R15 | D8-L11 HydrophobicContact CB-CB 4.17Å; D8-L11 HydrophobicContact CB-CD1 3.89Å; D8-L11 HydrophobicContact CB-CG 4.05Å; D8-L11 WeakPolarHBondContact O-CA 3.11Å; D8-L11 WeakPolarHBondContact O-CB 3.13Å; D8-L11 PolarHBondContact O-N 3.31Å; L11-A14 PolarHBondContact O-N 3.39Å; L11-R15 WeakPolarHBondContact O-CB 3.43Å; L11-R15 PolarHBondContact O-N 3.47Å |
| 12 | R | 62.8 | Low | 63.1 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.2 | -45.9 | 175.5 | -169.1 | 174.2 | 67.5 | -163.3 | 1.1 | 111.4 | D8 R10 R15 I16 | D8-R12 PolarHBondContact O-N 3.14Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R12-R15 PolarHBondContact O-N 3.4Å; R12-I16 HydrophobicContact CG-CD1 4.07Å; R12-I16 VanDerWaalsContact O-CG1 3.27Å; R12-I16 WeakPolarHBondContact O-CG1 3.35Å; R12-I16 PolarHBondContact O-N 3.4Å |
| 13 | E | 68.7 | Low | 64.7 | Low | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -44.3 | 176.3 | -171.3 | 170.5 | -159.2 | 0 | 0 | 111.9 | S9 R15 I16 E17 | S9-E13 VanDerWaalsContact O-CB 3.32Å; S9-E13 WeakPolarHBondContact O-CB 3.37Å; S9-E13 PolarHBondContact O-N 3.34Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.17Å; E13-I16 PolarHBondContact O-N 3.21Å; E13-E17 PolarHBondContact O-N 3.33Å |
| 14 | A | 67.6 | Low | 66.1 | Low | 44 Ų | 44 | 104.3 Ų | 104.3 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R10 L11 N18 | R10-A14 VanDerWaalsContact O-CB 3.26Å; R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.02Å; L11-A14 PolarHBondContact O-N 3.39Å; A14-N18 WeakPolarHBondContact O-CB 3.37Å; A14-N18 VanDerWaalsContact O-CG 3.32Å; A14-N18 PolarHBondContact O-N 3.28Å |
| 15 | R | 72.5 | Confident | 67.1 | Low | 168 Ų | 168 | 101.5 Ų | 101.5 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -45.3 | 175.8 | -165.7 | -178.6 | -74.8 | 176.1 | 0.6 | 110.6 | L11 R12 E13 N18 T19 | L11-R15 WeakPolarHBondContact O-CB 3.43Å; L11-R15 PolarHBondContact O-N 3.47Å; R12-R15 PolarHBondContact O-N 3.4Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.17Å; R15-N18 PolarHBondContact O-N 2.82Å; R15-T19 PolarHBondContact O-N 3.39Å; R15-T19 PolarHBondContact O-OG1 3.28Å |
| 16 | I | 71.6 | Confident | 67.9 | Low | 82 Ų | 82 | 99.7 Ų | 99.7 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 176.1 | -67.5 | 164.6 | 0 | 0 | 0 | 110.7 | R12 E13 N18 T19 I20 | R12-I16 HydrophobicContact CG-CD1 4.07Å; R12-I16 VanDerWaalsContact O-CG1 3.27Å; R12-I16 WeakPolarHBondContact O-CG1 3.35Å; R12-I16 PolarHBondContact O-N 3.4Å; E13-I16 PolarHBondContact O-N 3.21Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.46Å; I16-T19 PolarHBondContact O-N 3.47Å; I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.31Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.36Å; I16-I20 PolarHBondContact O-N 3.2Å |
| 17 | E | 71.7 | Confident | 68.6 | Low | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.7 | -84.2 | -158.1 | 159.3 | 0 | 0 | 112.8 | E13 I20 R21 | E13-E17 PolarHBondContact O-N 3.33Å; E17-I20 PolarHBondContact O-N 3.21Å; E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 PolarHBondContact O-N 3.22Å; E17-R21 IonicContact OE2-NH2 3.28Å; E17-R21 PolarHBondContact OE2-NH2 3.43Å |
| 18 | N | 73.8 | Confident | 68.6 | Low | 93 Ų | 93 | 102.5 Ų | 102.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 177.5 | -79.6 | -14 | 0 | 0 | 0 | 111.3 | A14 R15 I16 R21 S22 | A14-N18 WeakPolarHBondContact O-CB 3.37Å; A14-N18 VanDerWaalsContact O-CG 3.32Å; A14-N18 PolarHBondContact O-N 3.28Å; R15-N18 PolarHBondContact O-N 2.82Å; I16-N18 VanDerWaalsContact C-N 3.33Å; I16-N18 PolarHBondContact O-N 3.46Å; N18-R21 PolarHBondContact O-N 3.13Å; N18-S22 WeakPolarHBondContact O-CB 3.29Å; N18-S22 PolarHBondContact O-N 2.83Å |
| 19 | T | 75.4 | Confident | 68.6 | Low | 81 Ų | 81 | 103.7 Ų | 103.7 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 174.7 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | R15 I16 R21 S22 V23 | R15-T19 PolarHBondContact O-N 3.39Å; R15-T19 PolarHBondContact O-OG1 3.28Å; I16-T19 PolarHBondContact O-N 3.47Å; T19-R21 PolarHBondContact O-N 3.25Å; T19-S22 PolarHBondContact O-N 2.93Å; T19-V23 HydrophobicContact CG2-CG2 4.43Å; T19-V23 WeakPolarHBondContact O-CG2 3.33Å; T19-V23 PolarHBondContact O-N 3.2Å |
| 20 | I | 78 | Confident | 68.6 | Low | 98 Ų | 98 | 104.2 Ų | 104.2 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 177.5 | -68.3 | 168.7 | 0 | 0 | 0 | 110.4 | I16 E17 S22 V23 V24 | I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.31Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.36Å; I16-I20 PolarHBondContact O-N 3.2Å; E17-I20 PolarHBondContact O-N 3.21Å; I20-S22 PolarHBondContact O-N 3.34Å; I20-V23 PolarHBondContact O-N 3.11Å; I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 VanDerWaalsContact O-CG2 3.26Å; I20-V24 WeakPolarHBondContact O-CG2 3.26Å; I20-V24 PolarHBondContact O-N 3.24Å |
| 21 | R | 72.3 | Confident | 68 | Low | 137 Ų | 137 | 99 Ų | 99 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 176.2 | -87.3 | -176.8 | -97.4 | 170.4 | -8.7 | 111.8 | E17 N18 T19 V23 V24 D25 | E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 PolarHBondContact O-N 3.22Å; E17-R21 IonicContact OE2-NH2 3.28Å; E17-R21 PolarHBondContact OE2-NH2 3.43Å; N18-R21 PolarHBondContact O-N 3.13Å; T19-R21 PolarHBondContact O-N 3.25Å; R21-V23 VanDerWaalsContact C-N 3.35Å; R21-V23 PolarHBondContact O-N 3.34Å; R21-V24 PolarHBondContact O-N 3.4Å; R21-D25 WeakPolarHBondContact O-CB 3.18Å; R21-D25 PolarHBondContact O-N 2.87Å |
| 22 | S | 74.2 | Confident | 67.5 | Low | 63 Ų | 63 | 100.7 Ų | 100.7 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 178 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | N18 T19 I20 D25 Q26 | N18-S22 WeakPolarHBondContact O-CB 3.29Å; N18-S22 PolarHBondContact O-N 2.83Å; T19-S22 PolarHBondContact O-N 2.93Å; I20-S22 PolarHBondContact O-N 3.34Å; S22-D25 PolarHBondContact O-N 3.31Å; S22-Q26 WeakPolarHBondContact O-CB 3.35Å; S22-Q26 PolarHBondContact O-N 3.11Å |
| 23 | V | 72.7 | Confident | 66.8 | Low | 73 Ų | 73 | 98.2 Ų | 98.2 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | T19 I20 R21 D25 Q26 V27 | T19-V23 HydrophobicContact CG2-CG2 4.43Å; T19-V23 WeakPolarHBondContact O-CG2 3.33Å; T19-V23 PolarHBondContact O-N 3.2Å; I20-V23 PolarHBondContact O-N 3.11Å; R21-V23 VanDerWaalsContact C-N 3.35Å; R21-V23 PolarHBondContact O-N 3.34Å; V23-D25 VanDerWaalsContact C-N 3.3Å; V23-D25 PolarHBondContact O-N 2.93Å; V23-Q26 PolarHBondContact O-N 3.13Å; V23-V27 HydrophobicContact CG1-CG2 4.37Å; V23-V27 WeakPolarHBondContact O-CB 3.27Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.33Å; V23-V27 PolarHBondContact O-N 2.85Å |
| 24 | V | 72.4 | Confident | 65.5 | Low | 65 Ų | 65 | 95.6 Ų | 95.6 | 39% | 0.394 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | I20 R21 V27 R28 | I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 VanDerWaalsContact O-CG2 3.26Å; I20-V24 WeakPolarHBondContact O-CG2 3.26Å; I20-V24 PolarHBondContact O-N 3.24Å; R21-V24 PolarHBondContact O-N 3.4Å; V24-V27 PolarHBondContact O-N 2.95Å; V24-R28 WeakPolarHBondContact O-CB 3.46Å; V24-R28 WeakPolarHBondContact O-CG 3.26Å; V24-R28 PolarHBondContact O-N 3.24Å |
| 25 | D | 68.5 | Low | 64.2 | Low | 80 Ų | 80 | 97.9 Ų | 97.9 | 43% | 0.428 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 177.3 | -76.1 | -17.1 | 0 | 0 | 0 | 112 | R21 S22 V23 R28 K29 | R21-D25 WeakPolarHBondContact O-CB 3.18Å; R21-D25 PolarHBondContact O-N 2.87Å; S22-D25 PolarHBondContact O-N 3.31Å; V23-D25 VanDerWaalsContact C-N 3.3Å; V23-D25 PolarHBondContact O-N 2.93Å; D25-R28 PolarHBondContact O-N 3.44Å; D25-K29 WeakPolarHBondContact O-CB 2.92Å; D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.27Å; D25-K29 PolarHBondContact O-N 3.13Å |
| 26 | Q | 66.2 | Low | 62.7 | Low | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 171.8 | -88 | -179 | -16.6 | 0 | 0 | 111.6 | S22 V23 R28 K29 A30 | S22-Q26 WeakPolarHBondContact O-CB 3.35Å; S22-Q26 PolarHBondContact O-N 3.11Å; V23-Q26 PolarHBondContact O-N 3.13Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.98Å; Q26-K29 PolarHBondContact O-N 2.71Å; Q26-A30 WeakPolarHBondContact O-CB 3.35Å; Q26-A30 PolarHBondContact O-N 3.46Å |
| 27 | V | 62.9 | Low | 61.1 | Low | 81 Ų | 81 | 99.9 Ų | 99.9 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | V23 V24 A30 C31 | V23-V27 HydrophobicContact CG1-CG2 4.37Å; V23-V27 WeakPolarHBondContact O-CB 3.27Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.33Å; V23-V27 PolarHBondContact O-N 2.85Å; V24-V27 PolarHBondContact O-N 2.95Å; V27-A30 PolarHBondContact O-N 2.92Å; V27-C31 VanDerWaalsContact O-CB 3.27Å; V27-C31 WeakPolarHBondContact O-CB 3.45Å; V27-C31 PolarHBondContact O-N 3.16Å; V27-C31 PolarHBondContact O-SG 3.39Å |
| 28 | R | 56 | Low | 59.7 | Low | 122 Ų | 122 | 103.3 Ų | 103.3 | 46% | 0.46 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -44.7 | 174.7 | -84.9 | -174.9 | -171.1 | 177.2 | 3.6 | 112 | V24 D25 Q26 A30 C31 F32 | V24-R28 WeakPolarHBondContact O-CB 3.46Å; V24-R28 WeakPolarHBondContact O-CG 3.26Å; V24-R28 PolarHBondContact O-N 3.24Å; D25-R28 PolarHBondContact O-N 3.44Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.98Å; R28-A30 VanDerWaalsContact C-N 3.34Å; R28-C31 PolarHBondContact O-N 3.09Å; R28-F32 HydrophobicContact CB-CD2 4.48Å; R28-F32 HydrophobicContact CG-CD2 4.44Å; R28-F32 WeakPolarHBondContact O-CB 3.38Å; R28-F32 WeakPolarHBondContact O-CD2 3.43Å; R28-F32 PolarHBondContact O-N 3.42Å |
| 29 | K | 58.8 | Low | 57.8 | Low | 129 Ų | 129 | 105.3 Ų | 105.3 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.5 | -44.2 | 176.5 | -78.1 | 178.3 | 179.3 | -178.3 | 0 | 111.2 | D25 Q26 G33 | D25-K29 WeakPolarHBondContact O-CB 2.92Å; D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.27Å; D25-K29 PolarHBondContact O-N 3.13Å; Q26-K29 PolarHBondContact O-N 2.71Å; K29-G33 WeakPolarHBondContact O-CA 3.26Å; K29-G33 PolarHBondContact O-N 2.97Å |
| 30 | A | 60.6 | Low | 55.8 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.1 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q26 V27 R28 | Q26-A30 WeakPolarHBondContact O-CB 3.35Å; Q26-A30 PolarHBondContact O-N 3.46Å; V27-A30 PolarHBondContact O-N 2.92Å; R28-A30 VanDerWaalsContact C-N 3.34Å |
| 31 | C | 54.7 | Low | 53.4 | Low | 89 Ų | 89 | 108.7 Ų | 108.7 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.9 | -32.4 | -177.9 | -67.7 | 0 | 0 | 0 | 0 | 113.8 | V27 R28 | V27-C31 VanDerWaalsContact O-CB 3.27Å; V27-C31 WeakPolarHBondContact O-CB 3.45Å; V27-C31 PolarHBondContact O-N 3.16Å; V27-C31 PolarHBondContact O-SG 3.39Å; R28-C31 PolarHBondContact O-N 3.09Å |
| 32 | F | 55.2 | Low | 51.4 | Low | 146 Ų | 146 | 110.7 Ų | 110.7 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -114.1 | 4.1 | -171.3 | -61.7 | -73.3 | 0 | 0 | 0 | 114 | R28 S34 | R28-F32 HydrophobicContact CB-CD2 4.48Å; R28-F32 HydrophobicContact CG-CD2 4.44Å; R28-F32 WeakPolarHBondContact O-CB 3.38Å; R28-F32 WeakPolarHBondContact O-CD2 3.43Å; R28-F32 PolarHBondContact O-N 3.42Å; F32-S34 PolarHBondContact O-N 3.49Å |
| 33 | G | 48.4 | Very low | 49.2 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 60.5 | -2 | 170 | 0 | 0 | 0 | 0 | 0 | 115.9 | K29 | K29-G33 WeakPolarHBondContact O-CA 3.26Å; K29-G33 PolarHBondContact O-N 2.97Å |
| 34 | S | 40.9 | Very low | 47.3 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -152.1 | 139.8 | -176.1 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | F32 V36 | F32-S34 PolarHBondContact O-N 3.49Å; S34-V36 PolarHBondContact O-N 2.94Å |
| 35 | P | 41 | Very low | 45.3 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 59% | 0.591 | 65% | 0.647 | S | S | * | * | | | trans | -55.8 | 116.8 | 162.3 | 25.6 | -31.3 | 0 | 0 | 0 | 107 | R37 | P35-R37 PolarHBondContact O-N 3.45Š|
| 36 | V | 41 | Very low | 43.4 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 56% | 0.564 | 67% | 0.67 | S | S | * | * | | | trans | -59.1 | 107.1 | 167.9 | 177.2 | 0 | 0 | 0 | 0 | 104.8 | S34 E38 | S34-V36 PolarHBondContact O-N 2.94Å; V36-E38 PolarHBondContact O-N 2.78Å |
| 37 | R | 37.3 | Very low | 41.6 | Very low | 200 Ų | 200 | 128.3 Ų | 128.3 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | -53.6 | 108.6 | 169.3 | -90.6 | -179.6 | 135.2 | 169 | -2.2 | 106.5 | P35 D39 Q40 | P35-R37 PolarHBondContact O-N 3.45Å; R37-D39 PolarHBondContact O-N 3.47Å; R37-Q40 PolarHBondContact O-N 3.05Å |
| 38 | E | 43.1 | Very low | 40 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -4.5 | 175.5 | -65.7 | -177.6 | 145.8 | 0 | 0 | 112.1 | V36 Q40 | V36-E38 PolarHBondContact O-N 2.78Å; E38-Q40 VanDerWaalsContact C-N 3.31Å; E38-Q40 PolarHBondContact O-N 3.27Å |
| 39 | D | 35.1 | Very low | 38.8 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -5 | 174.8 | -66.1 | -31.4 | 0 | 0 | 0 | 114.7 | R37 S41 | R37-D39 PolarHBondContact O-N 3.47Å; D39-S41 PolarHBondContact O-N 2.72Å |
| 40 | Q | 32.9 | Very low | 37.3 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | | | trans | -77.4 | 79.8 | 162.2 | -76.8 | -171.7 | 24.4 | 0 | 0 | 108.5 | R37 E38 F42 | R37-Q40 PolarHBondContact O-N 3.05Å; E38-Q40 VanDerWaalsContact C-N 3.31Å; E38-Q40 PolarHBondContact O-N 3.27Å; Q40-F42 VanDerWaalsContact C-N 3.26Å; Q40-F42 WeakPolarHBondContact O-CD2 3.24Å; Q40-F42 PolarHBondContact O-N 3.11Å |
| 41 | S | 27.9 | Very low | 35.8 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | | | trans | -46.8 | 99.8 | 153.2 | 32.7 | 0 | 0 | 0 | 0 | 107.5 | D39 S43 | D39-S41 PolarHBondContact O-N 2.72Å; S41-S43 PolarHBondContact O-N 3.48Å |
| 42 | F | 28.6 | Very low | 34.5 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -59.3 | 97.9 | 163.7 | -75.6 | -87.8 | 0 | 0 | 0 | 105.5 | Q40 L44 | Q40-F42 VanDerWaalsContact C-N 3.26Å; Q40-F42 WeakPolarHBondContact O-CD2 3.24Å; Q40-F42 PolarHBondContact O-N 3.11Å; F42-L44 PolarHBondContact O-N 2.87Å |
| 43 | S | 28.7 | Very low | 33.3 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | | | trans | -53.9 | 95.7 | 153.2 | -61.9 | 0 | 0 | 0 | 0 | 104.4 | S41 N45 | S41-S43 PolarHBondContact O-N 3.48Å; S43-N45 PolarHBondContact O-N 2.8Å |
| 44 | L | 33.9 | Very low | 32.6 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | -58.9 | 83.9 | 162.2 | -83.9 | 160.5 | 0 | 0 | 0 | 104.3 | F42 R46 | F42-L44 PolarHBondContact O-N 2.87Å; L44-R46 PolarHBondContact O-N 3.49Å |
| 45 | N | 29.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | -55.5 | 93.5 | 155.3 | -79.6 | -30.1 | 0 | 0 | 0 | 102.9 | S43 L47 | S43-N45 PolarHBondContact O-N 2.8Å; N45-L47 PolarHBondContact O-N 2.98Å |
| 46 | R | 27.5 | Very low | 31.8 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | | | trans | -57.1 | 79.6 | 162.1 | -85 | -178.9 | 168.3 | 179.6 | -3.1 | 104.9 | L44 P48 | L44-R46 PolarHBondContact O-N 3.49Å; R46-P48 WeakPolarHBondContact O-CD 3.31Å |
| 47 | L | 29.2 | Very low | 31.3 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 119 | 153.5 | -76.9 | 167.7 | 0 | 0 | 0 | 104 | N45 V49 | N45-L47 PolarHBondContact O-N 2.98Å; L47-V49 PolarHBondContact O-N 3.28Å |
| 48 | P | 29.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 119.8 | -180 | 21.3 | -29.4 | 0 | 0 | 0 | 107.3 | R46 | R46-P48 WeakPolarHBondContact O-CD 3.31Š|
| 49 | V | 29.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -54 | 129.9 | 172.4 | 176.5 | 0 | 0 | 0 | 0 | 106.5 | L47 S51 | L47-V49 PolarHBondContact O-N 3.28Å; V49-S51 PolarHBondContact O-N 3.18Å |
| 50 | P | 28.4 | Very low | 30.2 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 120.5 | 175.8 | -22.6 | 30.7 | 0 | 0 | 0 | 108.5 | L52 | P50-L52 PolarHBondContact O-N 2.81Š|
| 51 | S | 29.3 | Very low | 29.9 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -54.3 | 109.5 | 174.3 | 40.9 | 0 | 0 | 0 | 0 | 108.3 | V49 | V49-S51 PolarHBondContact O-N 3.18Š|
| 52 | L | 28 | Very low | 30 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -55 | 136 | 167.1 | -95.9 | 149.1 | 0 | 0 | 0 | 107.8 | P50 E54 | P50-L52 PolarHBondContact O-N 2.81Å; L52-E54 PolarHBondContact O-N 3.38Å |
| 53 | P | 29.6 | Very low | 29.9 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | trans | -56.2 | 126.7 | 178.7 | 20.7 | -31.2 | 0 | 0 | 0 | 110.1 | N55 | P53-N55 PolarHBondContact O-N 3.11Š|
| 54 | E | 33.3 | Very low | 30 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -61.1 | -1 | -171.4 | -70.2 | 178.3 | 139.6 | 0 | 0 | 115.1 | L52 L56 | L52-E54 PolarHBondContact O-N 3.38Å; E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.09Å |
| 55 | N | 33.4 | Very low | 29.7 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -82.8 | 10.2 | -175.4 | -73.1 | -18.1 | 0 | 0 | 0 | 115.4 | P53 | P53-N55 PolarHBondContact O-N 3.11Š|
| 56 | L | 32 | Very low | 29.9 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -116.2 | 12.3 | 176.5 | -79.2 | 167.8 | 0 | 0 | 0 | 113.9 | E54 D58 | E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.09Å; L56-D58 PolarHBondContact O-N 3.25Å |
| 57 | V | 29.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 139 Ų | 139 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | | | trans | -88.2 | 88.7 | 171.1 | -169.4 | 0 | 0 | 0 | 0 | 108.1 | E59 | V57-E59 PolarHBondContact O-N 3.25Å; V57-E59 VanDerWaalsContact O-N 3.15Å |
| 58 | D | 29.6 | Very low | 29.6 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -53.5 | 114.9 | 169.1 | -147.5 | -21.2 | 0 | 0 | 0 | 108.7 | L56 R60 | L56-D58 PolarHBondContact O-N 3.25Å; D58-R60 PolarHBondContact O-N 3.18Å |
| 59 | E | 32.3 | Very low | 29.7 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 25.3 | -171 | -78.3 | -145.7 | 141.4 | 0 | 0 | 115.1 | V57 | V57-E59 PolarHBondContact O-N 3.25Å; V57-E59 VanDerWaalsContact O-N 3.15Å |
| 60 | R | 31.1 | Very low | 29.4 | Very low | 221 Ų | 221 | 141.9 Ų | 141.9 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 2.9 | -178.4 | -66.9 | -167.4 | 174.2 | -168.4 | 0.3 | 115.2 | D58 I62 | D58-R60 PolarHBondContact O-N 3.18Å; R60-I62 PolarHBondContact O-N 2.85Å; R60-I62 VanDerWaalsContact O-N 3.12Å |
| 61 | C | 26.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -84.4 | 88.3 | 172.4 | -72.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 62 | I | 29.4 | Very low | 29 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | -47.9 | 127.8 | 167.6 | -61.1 | 170.1 | 0 | 0 | 0 | 108.7 | R60 L64 | R60-I62 PolarHBondContact O-N 2.85Å; R60-I62 VanDerWaalsContact O-N 3.12Å; I62-L64 PolarHBondContact O-N 3.08Å; I62-L64 VanDerWaalsContact O-N 3.12Å |
| 63 | P | 27.5 | Very low | 28.9 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | trans | -64.3 | 116.4 | -177.2 | 23.9 | -32 | 0 | 0 | 0 | 109.9 | S65 | P63-S65 PolarHBondContact O-N 2.67Š|
| 64 | L | 30.6 | Very low | 28.7 | Very low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -67.5 | 86.4 | 162.7 | -73.4 | 167.6 | 0 | 0 | 0 | 107.4 | I62 | I62-L64 PolarHBondContact O-N 3.08Å; I62-L64 VanDerWaalsContact O-N 3.12Å |
| 65 | S | 27.9 | Very low | 28.5 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -49.3 | 124.2 | 172.6 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | P63 N67 | P63-S65 PolarHBondContact O-N 2.67Å; S65-N67 PolarHBondContact O-N 3.3Å |
| 66 | P | 33.3 | Very low | 28.2 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -70.1 | 108.9 | -179.4 | 27.4 | -30.1 | 0 | 0 | 0 | 107.6 | R68 | P66-R68 PolarHBondContact O-N 2.86Š|
| 67 | N | 26.2 | Very low | 28 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -68.5 | 89.5 | 177.6 | -161.7 | -14.4 | 0 | 0 | 0 | 109.2 | S65 N69 | S65-N67 PolarHBondContact O-N 3.3Å; N67-N69 PolarHBondContact O-N 2.78Å; N67-N69 PolarHBondContact OD1-ND2 2.9Å |
| 68 | R | 24.6 | Very low | 27.7 | Very low | 236 Ų | 236 | 139.3 Ų | 139.3 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | | | trans | -78.9 | 61.7 | 177.6 | -164.8 | -175.3 | -177.9 | -172.4 | 0.5 | 108.9 | P66 | P66-R68 PolarHBondContact O-N 2.86Š|
| 69 | N | 30.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | trans | -98.1 | 89.3 | 167.1 | -80.6 | -11.9 | 0 | 0 | 0 | 108.8 | N67 A71 | N67-N69 PolarHBondContact O-N 2.78Å; N67-N69 PolarHBondContact OD1-ND2 2.9Å; N69-A71 PolarHBondContact O-N 2.74Å |
| 70 | G | 23.9 | Very low | 27.3 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -62.9 | 99.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 71 | A | 24.5 | Very low | 27.1 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -97.6 | 86.6 | 159 | 0 | 0 | 0 | 0 | 0 | 107 | N69 | N69-A71 PolarHBondContact O-N 2.74Š|
| 72 | A | 25.4 | Very low | 27.2 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -76.6 | 143.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 73 | A | 25.5 | Very low | 27 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | 71 | 102.3 | 167 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 74 | V | 25.4 | Very low | 26.9 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | | -149.4 | 115.7 | 115.5 | -176.5 | 0 | 0 | 0 | 0 | 108 | R76 | V74-R76 PolarHBondContact O-N 3.14Š|
| 75 | P | 28.2 | Very low | 26.9 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -67.9 | 111 | 164.3 | 27.6 | -27.4 | 0 | 0 | 0 | 107.1 | D77 | P75-D77 PolarHBondContact O-N 2.86Š|
| 76 | R | 27.4 | Very low | 26.8 | Very low | 240 Ų | 240 | 136.1 Ų | 136.1 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -72 | 102.3 | 177.4 | -85 | -159.6 | 169.5 | 169.8 | -0.8 | 109.3 | V74 S78 | V74-R76 PolarHBondContact O-N 3.14Å; R76-S78 PolarHBondContact O-N 3.17Å |
| 77 | D | 27.8 | Very low | 26.5 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -50.4 | 131.6 | 163 | -86.7 | -36.7 | 0 | 0 | 0 | 110.8 | P75 R79 | P75-D77 PolarHBondContact O-N 2.86Å; D77-R79 PolarHBondContact O-N 3.03Å |
| 78 | S | 25.2 | Very low | 26.6 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -56.6 | 107.2 | 168.2 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | R76 | R76-S78 PolarHBondContact O-N 3.17Š|
| 79 | R | 26.5 | Very low | 26.7 | Very low | 240 Ų | 240 | 134.6 Ų | 134.6 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | -137.9 | 145.2 | 149.9 | -79.3 | -167.1 | 178.8 | 179.2 | -0.1 | 111 | D77 | D77-R79 PolarHBondContact O-N 3.03Š|
| 80 | P | 25.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -90.5 | 139.4 | -156.1 | 17.2 | -1.2 | 0 | 0 | 0 | 112.7 | T82 | P80-T82 PolarHBondContact O-N 2.74Š|
| 81 | L | 27.2 | Very low | 26.9 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | 10.1 | 95.5 | 147.2 | -59 | 169.2 | 0 | 0 | 0 | 115.8 | | |
| 82 | T | 28.2 | Very low | 27 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -111.3 | 113.4 | 153.4 | 58.1 | 0 | 0 | 0 | 0 | 108.3 | P80 | P80-T82 PolarHBondContact O-N 2.74Š|
| 83 | S | 25.6 | Very low | 27.2 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -46.7 | 125.6 | 172.2 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 84 | S | 25.9 | Very low | 27.3 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | -154.5 | 111.4 | 152 | -57.2 | 0 | 0 | 0 | 0 | 108.4 | V86 | S84-V86 PolarHBondContact O-N 2.91Š|
| 85 | P | 29.4 | Very low | 27.5 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -71.9 | 112.3 | 176 | 28.7 | -29.6 | 0 | 0 | 0 | 108.3 | F87 | P85-F87 PolarHBondContact O-N 3.18Å; P85-F87 VanDerWaalsContact O-N 3.12Å |
| 86 | V | 27.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 151 Ų | 151 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -70.3 | 108.5 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | S84 F88 | S84-V86 PolarHBondContact O-N 2.91Å; V86-F88 PolarHBondContact O-N 2.91Å; V86-F88 VanDerWaalsContact O-N 3.12Å |
| 87 | F | 25.1 | Very low | 27.4 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -48.6 | 111.6 | 168.8 | -112.3 | -102.9 | 0 | 0 | 0 | 109.2 | P85 G89 | P85-F87 PolarHBondContact O-N 3.18Å; P85-F87 VanDerWaalsContact O-N 3.12Å; F87-G89 PolarHBondContact O-N 2.72Å |
| 88 | F | 29.5 | Very low | 27.4 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -75.6 | 103.3 | 166.5 | -108.8 | -95.9 | 0 | 0 | 0 | 106.9 | V86 | V86-F88 PolarHBondContact O-N 2.91Å; V86-F88 VanDerWaalsContact O-N 3.12Å |
| 89 | G | 26.8 | Very low | 27.5 | Very low | 58 Ų | 58 | 144.8 Ų | 144.8 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | | | trans | -66.8 | 136 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F87 M91 | F87-G89 PolarHBondContact O-N 2.72Å; G89-M91 PolarHBondContact O-N 2.92Å |
| 90 | D | 28.5 | Very low | 27.6 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -54.5 | 99.8 | 169.6 | -64.2 | -52.8 | 0 | 0 | 0 | 110.1 | | |
| 91 | M | 30.4 | Very low | 27.7 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -91.3 | 100.5 | 161.8 | -82 | -152.5 | -68.8 | 0 | 0 | 108 | G89 L93 | G89-M91 PolarHBondContact O-N 2.92Å; M91-L93 PolarHBondContact O-N 3.29Å |
| 92 | E | 26.1 | Very low | 27.7 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -47 | 123.3 | 165.5 | -70.9 | -176.4 | 134.3 | 0 | 0 | 110.1 | P94 | E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.5Å |
| 93 | L | 29.3 | Very low | 27.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -75 | 114.3 | 173.2 | -81.8 | 154.1 | 0 | 0 | 0 | 109.2 | M91 F95 | M91-L93 PolarHBondContact O-N 3.29Å; L93-F95 PolarHBondContact O-N 3.05Å |
| 94 | P | 28.4 | Very low | 28 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | | | trans | -99.7 | 79.2 | 175.9 | 35 | -21.7 | 0 | 0 | 0 | 108.5 | E92 | E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.5Å |
| 95 | F | 28.8 | Very low | 28 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -134.8 | 88.4 | 160 | -77.1 | -72.8 | 0 | 0 | 0 | 108.8 | L93 | L93-F95 PolarHBondContact O-N 3.05Š|
| 96 | A | 25.4 | Very low | 28.1 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -53.9 | 136.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T98 | A96-T98 PolarHBondContact O-N 2.78Š|
| 97 | A | 28.1 | Very low | 28.2 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -64.7 | 98.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 98 | T | 28.7 | Very low | 28.3 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -93.7 | 111.8 | 167.9 | 38.3 | 0 | 0 | 0 | 0 | 110.7 | A96 | A96-T98 PolarHBondContact O-N 2.78Š|
| 99 | D | 27.4 | Very low | 28.2 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 50.9 | 114.2 | 145.1 | -84.5 | -42.3 | 0 | 0 | 0 | 121.3 | H101 | D99-H101 PolarHBondContact O-N 3.45Å; D99-H101 VanDerWaalsContact O-N 3.13Å |
| 100 | L | 27.3 | Very low | 28.1 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | -54.8 | 104 | 157.1 | -77.7 | 91.8 | 0 | 0 | 0 | 110.7 | | |
| 101 | H | 28.5 | Very low | 28.1 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | -95.3 | 96.2 | 154.6 | -82.7 | -75.3 | 0 | 0 | 0 | 109.2 | D99 | D99-H101 PolarHBondContact O-N 3.45Å; D99-H101 VanDerWaalsContact O-N 3.13Å |
| 102 | Q | 27.4 | Very low | 27.9 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123.8 | 168.1 | -163.7 | 174.5 | 17.8 | 0 | 0 | 108.8 | | |
| 103 | P | 30.5 | Very low | 27.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 140.4 | 177.1 | 26.9 | -31.7 | 0 | 0 | 0 | 110.3 | | |
| 104 | P | 28.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.1 | -178.3 | 24.9 | -32 | 0 | 0 | 0 | 111.6 | V106 | P104-V106 PolarHBondContact O-N 3.39Š|
| 105 | L | 27.2 | Very low | 27.8 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 116.4 | 166.1 | -92.8 | 78.5 | 0 | 0 | 0 | 108.6 | | |
| 106 | V | 31.6 | Very low | 27.7 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -92.1 | 109 | 166.5 | -165.2 | 0 | 0 | 0 | 0 | 106.2 | P104 | P104-V106 PolarHBondContact O-N 3.39Š|
| 107 | D | 29.7 | Very low | 27.7 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -57.6 | 139.4 | 179.2 | -81.6 | -43.9 | 0 | 0 | 0 | 112.3 | G109 | D107-G109 PolarHBondContact O-N 3.45Å; D107-G109 VanDerWaalsContact O-N 3.11Å |
| 108 | T | 27.2 | Very low | 27.8 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | trans | -21.9 | 98.6 | 160.4 | 35.6 | 0 | 0 | 0 | 0 | 115.9 | L110 | T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 PolarHBondContact O-N 3.23Å |
| 109 | G | 25.5 | Very low | 27.6 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -86.6 | 58.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D107 T111 | D107-G109 PolarHBondContact O-N 3.45Å; D107-G109 VanDerWaalsContact O-N 3.11Å; G109-T111 PolarHBondContact O-N 3.26Å; G109-T111 VanDerWaalsContact O-N 3.13Å |
| 110 | L | 26.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -82.5 | 63.6 | 168.4 | -79.5 | 170.3 | 0 | 0 | 0 | 109.6 | T108 Q112 | T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 PolarHBondContact O-N 3.23Å; L110-Q112 PolarHBondContact O-N 2.9Å |
| 111 | T | 26.7 | Very low | 27.6 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | -89.6 | 92.2 | 167.7 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | G109 L113 | G109-T111 PolarHBondContact O-N 3.26Å; G109-T111 VanDerWaalsContact O-N 3.13Å; T111-L113 PolarHBondContact O-N 3.46Å |
| 112 | Q | 26.6 | Very low | 27.4 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | 23.4 | 86.4 | 133.2 | -55.9 | -172.7 | 28.5 | 0 | 0 | 115.6 | L110 | L110-Q112 PolarHBondContact O-N 2.9Š|
| 113 | L | 27.2 | Very low | 27.3 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -104 | 87.8 | 149.8 | -69 | 179.2 | 0 | 0 | 0 | 106.9 | T111 | T111-L113 PolarHBondContact O-N 3.46Š|
| 114 | S | 26.5 | Very low | 27.2 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | | | trans | -50.7 | 134.5 | 168.5 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | M116 | S114-M116 PolarHBondContact O-N 3.1Š|
| 115 | P | 29.5 | Very low | 27.3 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -63.6 | 105.6 | 177 | 24.1 | -30.7 | 0 | 0 | 0 | 108.7 | A117 | P115-A117 VanDerWaalsContact C-N 3.33Å; P115-A117 PolarHBondContact O-N 3.03Å |
| 116 | M | 26.3 | Very low | 27.2 | Very low | 181 Ų | 181 | 133 Ų | 133 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | | | trans | -68.7 | 96.2 | 174.9 | -148.9 | 167 | 75.1 | 0 | 0 | 107.1 | S114 L118 | S114-M116 PolarHBondContact O-N 3.1Å; M116-L118 PolarHBondContact O-N 3.38Å; M116-L118 VanDerWaalsContact O-N 3.09Å |
| 117 | A | 25.6 | Very low | 26.8 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -54.7 | 112.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P115 P119 | P115-A117 VanDerWaalsContact C-N 3.33Å; P115-A117 PolarHBondContact O-N 3.03Å; A117-P119 WeakPolarHBondContact O-CD 3.28Å |
| 118 | L | 28.5 | Very low | 26.6 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | -78.6 | 109.4 | 164.7 | -99.2 | 156 | 0 | 0 | 0 | 107.3 | M116 | M116-L118 PolarHBondContact O-N 3.38Å; M116-L118 VanDerWaalsContact O-N 3.09Å |
| 119 | P | 25.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -87 | 131.2 | 171.2 | 8.3 | 13.5 | 0 | 0 | 0 | 108.1 | A117 | A117-P119 WeakPolarHBondContact O-CD 3.28Š|
| 120 | G | 24.5 | Very low | 26.4 | Very low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | 104.2 | 74.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 121 | L | 29.4 | Very low | 26.3 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | | | trans | -130.7 | 62.5 | 135.8 | -86.6 | 171.2 | 0 | 0 | 0 | 108.2 | Q123 | L121-Q123 PolarHBondContact O-N 2.98Š|
| 122 | M | 24.4 | Very low | 26.2 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | | | trans | -76.7 | 98.6 | 156.3 | -76.9 | -112.7 | 81.5 | 0 | 0 | 107.5 | | |
| 123 | Q | 26.1 | Very low | 26.1 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -174.2 | 105.4 | 138.6 | -112.5 | 174.1 | -24.4 | 0 | 0 | 109.7 | L121 P125 | L121-Q123 PolarHBondContact O-N 2.98Å; Q123-P125 WeakPolarHBondContact O-CD 3.48Å |
| 124 | P | 28.3 | Very low | 26 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | | | trans | -65.7 | 123 | 160.2 | 26.3 | -29.4 | 0 | 0 | 0 | 107.8 | S126 | P124-S126 PolarHBondContact O-N 2.86Š|
| 125 | P | 31.3 | Very low | 25.9 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -62.4 | 113.8 | 170.7 | 23.5 | -29.4 | 0 | 0 | 0 | 108.3 | Q123 S127 | Q123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-S127 PolarHBondContact O-N 2.96Å |
| 126 | S | 24.9 | Very low | 25.7 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -50.8 | 130.2 | 167.5 | 44.7 | 0 | 0 | 0 | 0 | 111 | P124 S128 | P124-S126 PolarHBondContact O-N 2.86Å; S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 VanDerWaalsContact O-N 3.17Å |
| 127 | S | 22.1 | Very low | 25.6 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | trans | -13.2 | 104.7 | 153.5 | -176.2 | 0 | 0 | 0 | 0 | 114.3 | P125 | P125-S127 PolarHBondContact O-N 2.96Š|
| 128 | S | 26.6 | Very low | 25.6 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | -126.2 | 112.2 | 161.1 | 60.8 | 0 | 0 | 0 | 0 | 108.6 | S126 I130 | S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 VanDerWaalsContact O-N 3.17Å; S128-I130 PolarHBondContact O-N 3.08Å |
| 129 | R | 21.6 | Very low | 25.3 | Very low | 241 Ų | 241 | 131.1 Ų | 131.1 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -28.7 | 118.8 | 160.5 | -64.4 | 168.7 | 173.6 | 177.6 | -3.9 | 111.7 | | |
| 130 | I | 25.8 | Very low | 25.2 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -135 | 98.9 | 155.1 | -58.5 | 180 | 0 | 0 | 0 | 106.6 | S128 | S128-I130 PolarHBondContact O-N 3.08Š|
| 131 | D | 25.6 | Very low | 25.3 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 38.6 | 108.1 | 132.1 | -57.7 | -36 | 0 | 0 | 0 | 117.6 | L133 | D131-L133 PolarHBondContact O-N 2.81Š|
| 132 | S | 23 | Very low | 25.2 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -19.8 | 101.4 | 143.7 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 133 | L | 25.2 | Very low | 25.2 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -77.5 | 140.1 | 155.3 | -74.3 | 173.5 | 0 | 0 | 0 | 108.6 | D131 A135 | D131-L133 PolarHBondContact O-N 2.81Å; L133-A135 PolarHBondContact O-N 2.79Å |
| 134 | P | 24.8 | Very low | 25 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | trans | -70.1 | 123.2 | -165.7 | 27.4 | -33.3 | 0 | 0 | 0 | 111.1 | S136 | P134-S136 PolarHBondContact O-N 2.97Š|
| 135 | A | 25.4 | Very low | 24.8 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -67.5 | 72.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L133 | L133-A135 PolarHBondContact O-N 2.79Š|
| 136 | S | 23.8 | Very low | 24.3 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | | | trans | -165.5 | 82.5 | 176.4 | 51.7 | 0 | 0 | 0 | 0 | 108.8 | P134 | P134-S136 PolarHBondContact O-N 2.97Š|
| 137 | V | 26.2 | Very low | 24.1 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -179.2 | 72.2 | 136.3 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 138 | L | 25.6 | Very low | 23.9 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | trans | -162.8 | 81.1 | 152.4 | -104.6 | 145.7 | 0 | 0 | 0 | 104.5 | S140 | L138-S140 PolarHBondContact O-N 2.79Š|
| 139 | G | 21.1 | Very low | 23.7 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | -53.8 | 132.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P141 | G139-P141 WeakPolarHBondContact O-CD 3.45Å; G139-P141 VanDerWaalsContact O-N 3.13Å |
| 140 | S | 23.6 | Very low | 23.7 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -54.4 | 108.2 | 164.4 | 49.7 | 0 | 0 | 0 | 0 | 109 | L138 | L138-S140 PolarHBondContact O-N 2.79Š|
| 141 | P | 26.6 | Very low | 23.6 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -77 | 137.7 | 160.1 | 32.9 | -22.3 | 0 | 0 | 0 | 105.9 | G139 | G139-P141 WeakPolarHBondContact O-CD 3.45Å; G139-P141 VanDerWaalsContact O-N 3.13Å |
| 142 | F | 27.3 | Very low | 23.4 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | 86.5 | 59 | 178.8 | -45.3 | -69.9 | 0 | 0 | 0 | 116 | S144 | F142-S144 PolarHBondContact O-N 2.67Š|
| 143 | S | 24.3 | Very low | 23.5 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | | | trans | -49.6 | 119.2 | 132.2 | -49.9 | 0 | 0 | 0 | 0 | 110.4 | V145 | S143-V145 PolarHBondContact O-N 2.77Š|
| 144 | S | 22 | Very low | 23.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | 23.9 | 95.1 | 143.9 | 50.9 | 0 | 0 | 0 | 0 | 117.6 | F142 | F142-S144 PolarHBondContact O-N 2.67Š|
| 145 | V | 24.2 | Very low | 23.5 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -109.7 | 92.6 | 150.4 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | S143 G147 | S143-V145 PolarHBondContact O-N 2.77Å; V145-G147 PolarHBondContact O-N 3.09Å; V145-G147 VanDerWaalsContact O-N 3.14Å |
| 146 | S | 20.1 | Very low | 23.4 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | trans | -62.9 | 101.7 | 158.8 | 51 | 0 | 0 | 0 | 0 | 108.1 | | |
| 147 | G | 20.6 | Very low | 23.5 | Very low | 60 Ų | 60 | 131.2 Ų | 131.2 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | | | trans | -138.8 | 84.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V145 A149 | V145-G147 PolarHBondContact O-N 3.09Å; V145-G147 VanDerWaalsContact O-N 3.14Å; G147-A149 PolarHBondContact O-N 2.69Å |
| 148 | F | 18.8 | Very low | 23.4 | Very low | 224 Ų | 224 | 131.3 Ų | 131.3 | 98% | 0.982 | 77% | 0.767 | S | S | * | * | | | trans | -60.1 | 114.5 | 164.5 | -93.3 | -96 | 0 | 0 | 0 | 108.9 | | |
| 149 | A | 22.1 | Very low | 23.3 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | | | trans | -148.1 | 97.7 | 155 | 0 | 0 | 0 | 0 | 0 | 108.5 | G147 M151 | G147-A149 PolarHBondContact O-N 2.69Å; A149-M151 VanDerWaalsContact C-N 3.32Å; A149-M151 PolarHBondContact O-N 3.02Å |
| 150 | S | 20.7 | Very low | 23.4 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -59.6 | 91.5 | 164.6 | 161.6 | 0 | 0 | 0 | 0 | 109 | | |
| 151 | M | 24 | Very low | 23.3 | Very low | 175 Ų | 175 | 133 Ų | 133 | 86% | 0.862 | 76% | 0.756 | S | S | * | * | | | trans | -118.5 | 102.6 | 167 | -78.7 | -78.4 | 170 | 0 | 0 | 108 | A149 | A149-M151 VanDerWaalsContact C-N 3.32Å; A149-M151 PolarHBondContact O-N 3.02Å |
| 152 | K | 22.6 | Very low | 23.1 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | | | trans | -43.2 | 147.2 | 157.7 | -95.7 | 170.2 | 164.1 | 175.3 | 0 | 110.8 | | |
| 153 | D | 25.6 | Very low | 23 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 64.2 | 80 | 157 | -57 | -32 | 0 | 0 | 0 | 116.1 | | |
| 154 | Q | 24 | Very low | 23 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | -162.7 | 94.2 | 138.2 | -107.1 | 159.8 | 59.1 | 0 | 0 | 109.1 | N156 | Q154-N156 PolarHBondContact O-N 3.23Š|
| 155 | S | 24.9 | Very low | 23.2 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -60.7 | 74.9 | 155 | 52.9 | 0 | 0 | 0 | 0 | 108 | D157 | S155-D157 PolarHBondContact O-N 3.05Å; S155-D157 VanDerWaalsContact O-N 3.14Å |
| 156 | N | 23.8 | Very low | 23.2 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 60% | 0.604 | 77% | 0.765 | S | S | * | * | | | trans | -72.3 | 107.1 | 167.1 | -77.8 | -34.1 | 0 | 0 | 0 | 105.9 | Q154 I158 | Q154-N156 PolarHBondContact O-N 3.23Å; N156-I158 PolarHBondContact O-N 2.77Å |
| 157 | D | 25 | Very low | 23.6 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -42.8 | 101.5 | 163.3 | -72.2 | -43.2 | 0 | 0 | 0 | 108.3 | S155 M159 | S155-D157 PolarHBondContact O-N 3.05Å; S155-D157 VanDerWaalsContact O-N 3.14Å; D157-M159 PolarHBondContact O-N 3.16Å |
| 158 | I | 24.3 | Very low | 23.9 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | -73.4 | 80.7 | 167.7 | -56.2 | 176.7 | 0 | 0 | 0 | 104.9 | N156 L160 | N156-I158 PolarHBondContact O-N 2.77Å; I158-L160 HydrophobicContact CG2-CD2 4.09Å; I158-L160 HydrophobicContact CG2-CG 4.19Å; I158-L160 PolarHBondContact O-N 2.93Å |
| 159 | M | 22.7 | Very low | 24.3 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | | | trans | -60.8 | 94.6 | 161.8 | -79.8 | -71 | -65.3 | 0 | 0 | 106.3 | D157 C161 | D157-M159 PolarHBondContact O-N 3.16Å; M159-C161 PolarHBondContact O-N 2.97Å |
| 160 | L | 24.7 | Very low | 24.6 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | trans | -66 | 83.9 | 167.6 | -71.5 | 169 | 0 | 0 | 0 | 107.3 | I158 Y162 | I158-L160 HydrophobicContact CG2-CD2 4.09Å; I158-L160 HydrophobicContact CG2-CG 4.19Å; I158-L160 PolarHBondContact O-N 2.93Å; L160-Y162 HydrophobicContact CB-CD2 4.33Å; L160-Y162 HydrophobicContact CB-CE2 4.49Å; L160-Y162 PolarHBondContact O-N 2.76Å |
| 161 | C | 21.7 | Very low | 24.9 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | | | trans | -64.5 | 90 | 167.5 | -70.8 | 0 | 0 | 0 | 0 | 107.8 | M159 N163 | M159-C161 PolarHBondContact O-N 2.97Å; C161-N163 PolarHBondContact O-N 2.94Å |
| 162 | Y | 21.9 | Very low | 25.2 | Very low | 199 Ų | 199 | 130.6 Ų | 130.6 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | | | trans | -69.2 | 80 | 165.5 | -96 | -92.4 | 0 | 0 | 0 | 108.5 | L160 G164 | L160-Y162 HydrophobicContact CB-CD2 4.33Å; L160-Y162 HydrophobicContact CB-CE2 4.49Å; L160-Y162 PolarHBondContact O-N 2.76Å; Y162-G164 PolarHBondContact O-N 2.77Å |
| 163 | N | 25.1 | Very low | 25.6 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | | | trans | -90 | 81 | 162.3 | -77.4 | -23.6 | 0 | 0 | 0 | 107.2 | C161 | C161-N163 PolarHBondContact O-N 2.94Š|
| 164 | G | 23.1 | Very low | 25.8 | Very low | 54 Ų | 54 | 126.4 Ų | 126.4 | 56% | 0.557 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -174.3 | 126.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y162 L166 | Y162-G164 PolarHBondContact O-N 2.77Å; G164-L166 PolarHBondContact O-N 3.42Å |
| 165 | D | 27.6 | Very low | 26.4 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 88% | 0.882 | 71% | 0.707 | S | S | * | * | | | trans | -44.5 | 135.7 | 176.3 | -68.2 | -55.7 | 0 | 0 | 0 | 111.3 | | |
| 166 | L | 24.4 | Very low | 26.9 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | | | trans | -35.9 | 123.7 | 175.9 | -78.7 | 142.1 | 0 | 0 | 0 | 110.3 | G164 S168 | G164-L166 PolarHBondContact O-N 3.42Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 3.5Å |
| 167 | P | 28.7 | Very low | 27.3 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 67% | 0.669 | 68% | 0.679 | S | S | * | * | | | trans | -61.2 | 103.8 | 173.4 | 23.3 | -30.1 | 0 | 0 | 0 | 107.9 | A169 | P167-A169 PolarHBondContact O-N 3.32Š|
| 168 | S | 26.2 | Very low | 27.5 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -48.7 | 111.9 | 164.3 | 174 | 0 | 0 | 0 | 0 | 107 | L166 | L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 3.5Å |
| 169 | A | 27.3 | Very low | 28 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 69% | 0.686 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 50.8 | 96.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | P167 N171 | P167-A169 PolarHBondContact O-N 3.32Å; A169-N171 PolarHBondContact O-N 3.36Å |
| 170 | A | 27.6 | Very low | 28.6 | Very low | 80 Ų | 80 | 114.2 Ų | 114.2 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | | | trans | -54.6 | 92.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | V172 | A170-V172 PolarHBondContact O-N 2.9Š|
| 171 | N | 26.8 | Very low | 28.7 | Very low | 150 Ų | 150 | 110.5 Ų | 110.5 | 80% | 0.802 | 65% | 0.653 | S | S | * | * | | | trans | -69.4 | 86.7 | 171 | -162.2 | 11.6 | 0 | 0 | 0 | 103.6 | A169 D173 | A169-N171 PolarHBondContact O-N 3.36Å; N171-D173 VanDerWaalsContact C-N 3.28Å; N171-D173 PolarHBondContact O-N 2.89Å |
| 172 | V | 31.2 | Very low | 29.3 | Very low | 91 Ų | 91 | 112.4 Ų | 112.4 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | | | trans | -65 | 100.9 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 104.9 | A170 M174 L177 | A170-V172 PolarHBondContact O-N 2.9Å; V172-M174 PolarHBondContact O-N 3.35Å; V172-M174 VanDerWaalsContact O-N 3.11Å; V172-L177 HydrophobicContact CB-CD1 4.31Å; V172-L177 HydrophobicContact CG1-CD1 3.52Å; V172-L177 HydrophobicContact CG1-CG 4.07Å |
| 173 | D | 31.7 | Very low | 29.5 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | | | trans | -56.5 | 120.1 | -176.5 | -150.4 | -7.8 | 0 | 0 | 0 | 107.5 | N171 L175 S176 L177 | N171-D173 VanDerWaalsContact C-N 3.28Å; N171-D173 PolarHBondContact O-N 2.89Å; D173-L175 PolarHBondContact O-N 3.06Å; D173-S176 WeakPolarHBondContact O-CA 3.32Å; D173-S176 WeakPolarHBondContact O-CB 3.47Å; D173-S176 PolarHBondContact O-N 3.49Å; D173-L177 PolarHBondContact O-N 3.42Å |
| 174 | M | 29.7 | Very low | 29.5 | Very low | 135 Ų | 135 | 103.8 Ų | 103.8 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.8 | -28.7 | -173.4 | -126.3 | -161.4 | -54.5 | 0 | 0 | 111.1 | V172 S176 L177 M178 | V172-M174 PolarHBondContact O-N 3.35Å; V172-M174 VanDerWaalsContact O-N 3.11Å; M174-S176 VanDerWaalsContact C-N 3.33Å; M174-S176 PolarHBondContact O-N 2.88Å; M174-L177 WeakPolarHBondContact O-CB 3.38Å; M174-L177 PolarHBondContact O-N 3.16Å; M174-M178 WeakPolarHBondContact O-CG 3.31Å; M174-M178 PolarHBondContact O-N 3.35Å |
| 175 | L | 34.8 | Very low | 29.6 | Very low | 100 Ų | 100 | 108.4 Ų | 108.4 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -59.8 | -35.4 | 172.6 | -85.1 | 151.2 | 0 | 0 | 0 | 114.3 | D173 M178 H179 | D173-L175 PolarHBondContact O-N 3.06Å; L175-M178 HydrophobicContact CB-CE 4.35Å; L175-M178 HydrophobicContact CD2-CE 3.69Å; L175-M178 HydrophobicContact CG-CE 3.79Å; L175-M178 PolarHBondContact O-N 3.22Å; L175-H179 PolarHBondContact O-N 3.46Å; L175-H179 PolarHBondContact O-ND1 3.02Å |
| 176 | S | 36.4 | Very low | 29.5 | Very low | 75 Ų | 75 | 106 Ų | 106 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.6 | -35.8 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | D173 M174 H179 A180 | D173-S176 WeakPolarHBondContact O-CA 3.32Å; D173-S176 WeakPolarHBondContact O-CB 3.47Å; D173-S176 PolarHBondContact O-N 3.49Å; M174-S176 VanDerWaalsContact C-N 3.33Å; M174-S176 PolarHBondContact O-N 2.88Å; S176-H179 PolarHBondContact O-N 2.92Å; S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.97Å |
| 177 | L | 31.9 | Very low | 29.6 | Very low | 63 Ų | 63 | 105.4 Ų | 105.4 | 33% | 0.33 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.9 | -37.7 | 171.5 | -93.4 | 148.2 | 0 | 0 | 0 | 112.1 | V172 D173 M174 A180 L182 | V172-L177 HydrophobicContact CB-CD1 4.31Å; V172-L177 HydrophobicContact CG1-CD1 3.52Å; V172-L177 HydrophobicContact CG1-CG 4.07Å; D173-L177 PolarHBondContact O-N 3.42Å; M174-L177 WeakPolarHBondContact O-CB 3.38Å; M174-L177 PolarHBondContact O-N 3.16Å; L177-A180 PolarHBondContact O-N 2.9Å; L177-L182 HydrophobicContact CD2-CB 4.25Å; L177-L182 HydrophobicContact CD2-CD1 4.01Å; L177-L182 PolarHBondContact O-N 3.49Å |
| 178 | M | 30.4 | Very low | 29.2 | Very low | 99 Ų | 99 | 106 Ų | 106 | 49% | 0.488 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.7 | -44.1 | 173.7 | -70.4 | -170.7 | -63.2 | 0 | 0 | 111.7 | M174 L175 A180 G181 M183 | M174-M178 WeakPolarHBondContact O-CG 3.31Å; M174-M178 PolarHBondContact O-N 3.35Å; L175-M178 HydrophobicContact CB-CE 4.35Å; L175-M178 HydrophobicContact CD2-CE 3.69Å; L175-M178 HydrophobicContact CG-CE 3.79Å; L175-M178 PolarHBondContact O-N 3.22Å; M178-A180 VanDerWaalsContact C-N 3.28Å; M178-A180 PolarHBondContact O-N 3.32Å; M178-G181 PolarHBondContact O-N 2.91Å; M178-G181 VanDerWaalsContact O-N 3.09Å; M178-M183 HydrophobicContact CG-CB 4.22Å |
| 179 | H | 34.2 | Very low | 29.1 | Very low | 172 Ų | 172 | 106.3 Ų | 106.3 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.4 | -30.1 | 174.9 | -95.7 | 92.1 | 0 | 0 | 0 | 113.3 | L175 S176 G181 | L175-H179 PolarHBondContact O-N 3.46Å; L175-H179 PolarHBondContact O-ND1 3.02Å; S176-H179 PolarHBondContact O-N 2.92Å; H179-G181 PolarHBondContact O-N 2.71Å; H179-G181 VanDerWaalsContact O-N 3.16Å |
| 180 | A | 36.1 | Very low | 28.8 | Very low | 66 Ų | 66 | 112.6 Ų | 112.6 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | 0.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S176 L177 M178 L182 | S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.97Å; L177-A180 PolarHBondContact O-N 2.9Å; M178-A180 VanDerWaalsContact C-N 3.28Å; M178-A180 PolarHBondContact O-N 3.32Å; A180-L182 HydrophobicContact CB-CD1 4.21Å; A180-L182 HydrophobicContact CB-CG 4.38Å; A180-L182 PolarHBondContact O-N 2.83Å; A180-L182 VanDerWaalsContact O-N 3.13Å |
| 181 | G | 25.6 | Very low | 28.7 | Very low | 56 Ų | 56 | 114.8 Ų | 114.8 | 58% | 0.577 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.6 | 10.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | M178 H179 M183 | M178-G181 PolarHBondContact O-N 2.91Å; M178-G181 VanDerWaalsContact O-N 3.09Å; H179-G181 PolarHBondContact O-N 2.71Å; H179-G181 VanDerWaalsContact O-N 3.16Å; G181-M183 VanDerWaalsContact C-N 3.31Å |
| 182 | L | 33.7 | Very low | 28.4 | Very low | 132 Ų | 132 | 116 Ų | 116 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | | | trans | -79.8 | -16.6 | 179.2 | -74.2 | 168.6 | 0 | 0 | 0 | 112.5 | L177 A180 | L177-L182 HydrophobicContact CD2-CB 4.25Å; L177-L182 HydrophobicContact CD2-CD1 4.01Å; L177-L182 PolarHBondContact O-N 3.49Å; A180-L182 HydrophobicContact CB-CD1 4.21Å; A180-L182 HydrophobicContact CB-CG 4.38Å; A180-L182 PolarHBondContact O-N 2.83Å; A180-L182 VanDerWaalsContact O-N 3.13Å |
| 183 | M | 26.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 118 Ų | 118 | 59% | 0.586 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -107.3 | 66 | 168.6 | -65.2 | -113.6 | 67.2 | 0 | 0 | 108.3 | M178 G181 D185 | M178-M183 HydrophobicContact CG-CB 4.22Å; G181-M183 VanDerWaalsContact C-N 3.31Å; M183-D185 PolarHBondContact O-N 3.4Å |
| 184 | G | 25.5 | Very low | 27.8 | Very low | 59 Ų | 59 | 118 Ų | 118 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | | | trans | -66.6 | 117 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S186 | G184-S186 PolarHBondContact O-N 2.88Š|
| 185 | D | 25.8 | Very low | 27.6 | Very low | 151 Ų | 151 | 118.2 Ų | 118.2 | 81% | 0.807 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | 129.2 | 167.7 | -73.9 | -47.9 | 0 | 0 | 0 | 110 | M183 N187 | M183-D185 PolarHBondContact O-N 3.4Å; D185-N187 PolarHBondContact O-N 3.23Å |
| 186 | S | 25.7 | Very low | 27.2 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.6 | 22 | 153.1 | 72.1 | 0 | 0 | 0 | 0 | 120.7 | G184 S188 | G184-S186 PolarHBondContact O-N 2.88Å; S186-S188 PolarHBondContact O-N 2.95Å |
| 187 | N | 25.3 | Very low | 26.7 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | | | trans | -81.1 | 101.9 | 156.2 | -80.3 | -29.3 | 0 | 0 | 0 | 109.1 | D185 V189 | D185-N187 PolarHBondContact O-N 3.23Å; N187-V189 PolarHBondContact O-N 3.43Å |
| 188 | S | 21.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | -57.2 | 78 | 169.4 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | S186 R190 | S186-S188 PolarHBondContact O-N 2.95Å; S188-R190 VanDerWaalsContact C-N 3.31Å; S188-R190 PolarHBondContact O-N 2.82Å |
| 189 | V | 24.1 | Very low | 26 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | trans | -66.5 | 103 | 164.3 | 179.5 | 0 | 0 | 0 | 0 | 104.2 | N187 | N187-V189 PolarHBondContact O-N 3.43Š|
| 190 | R | 20.5 | Very low | 25.5 | Very low | 215 Ų | 215 | 122.5 Ų | 122.5 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | | | trans | -42.3 | 130.8 | 170.1 | -73.7 | 178.6 | 167 | -175.1 | -4.5 | 107.2 | S188 M192 | S188-R190 VanDerWaalsContact C-N 3.31Å; S188-R190 PolarHBondContact O-N 2.82Å; R190-M192 VanDerWaalsContact C-N 3.27Å; R190-M192 PolarHBondContact O-N 3.39Å |
| 191 | P | 24.4 | Very low | 24.9 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | -56.8 | 100.4 | 173.9 | 23 | -30.8 | 0 | 0 | 0 | 107 | D193 | P191-D193 PolarHBondContact O-N 2.72Š|
| 192 | M | 22.6 | Very low | 24.9 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | | | trans | -54.6 | 126.2 | 163.6 | -88.2 | -103.6 | -112.7 | 0 | 0 | 105.1 | R190 S194 | R190-M192 VanDerWaalsContact C-N 3.27Å; R190-M192 PolarHBondContact O-N 3.39Å; M192-S194 PolarHBondContact O-N 2.85Å |
| 193 | D | 25 | Very low | 24.5 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | | | trans | -36.2 | 124.3 | -171.7 | -64.2 | -61.7 | 0 | 0 | 0 | 111.8 | P191 N195 | P191-D193 PolarHBondContact O-N 2.72Å; D193-N195 PolarHBondContact O-N 3.3Å |
| 194 | S | 24 | Very low | 24.5 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 31.5 | -176.5 | 44.5 | 0 | 0 | 0 | 0 | 114.8 | M192 H197 | M192-S194 PolarHBondContact O-N 2.85Å; S194-H197 PolarHBondContact O-ND1 2.97Å; S194-H197 VanDerWaalsContact O-ND1 3.16Å |
| 195 | N | 25.4 | Very low | 24.3 | Very low | 139 Ų | 139 | 131 Ų | 131 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -1.4 | 178.1 | -70.2 | -26 | 0 | 0 | 0 | 113.5 | D193 H197 | D193-N195 PolarHBondContact O-N 3.3Å; N195-H197 PolarHBondContact O-N 2.84Å |
| 196 | L | 25.9 | Very low | 24.1 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 86% | 0.859 | 71% | 0.705 | S | S | * | * | | | trans | -79.7 | 57.5 | 158.8 | -68.7 | 171.8 | 0 | 0 | 0 | 109 | S198 | L196-S198 PolarHBondContact O-N 3.28Š|
| 197 | H | 26.8 | Very low | 24.1 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | | | trans | -53.1 | 110.2 | 158.2 | -86.9 | 25.8 | 0 | 0 | 0 | 106.5 | S194 N195 L199 | S194-H197 PolarHBondContact O-ND1 2.97Å; S194-H197 VanDerWaalsContact O-ND1 3.16Å; N195-H197 PolarHBondContact O-N 2.84Å; H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 2.76Å |
| 198 | S | 23.2 | Very low | 24.1 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | | | trans | 6.9 | 79.4 | 144 | 161 | 0 | 0 | 0 | 0 | 112.2 | L196 T200 | L196-S198 PolarHBondContact O-N 3.28Å; S198-T200 PolarHBondContact O-N 2.82Å |
| 199 | L | 24.1 | Very low | 24.1 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | | | trans | -69 | 88.4 | 169.1 | -71.6 | 172.2 | 0 | 0 | 0 | 104.8 | H197 E203 | H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 2.76Å; L199-E203 HydrophobicContact CD2-CB 4.18Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.49Å |
| 200 | T | 24.2 | Very low | 24.2 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 50% | 0.497 | 69% | 0.691 | S | S | . | * | | | trans | -54.4 | 142.7 | 171.5 | 55 | 0 | 0 | 0 | 0 | 107.4 | S198 N202 E203 | S198-T200 PolarHBondContact O-N 2.82Å; T200-N202 PolarHBondContact O-N 3.32Å; T200-E203 PolarHBondContact O-N 3.07Å |
| 201 | C | 23.9 | Very low | 24.3 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -52 | -16.1 | -172.5 | -66.1 | 0 | 0 | 0 | 0 | 114.6 | Y205 | C201-Y205 PolarHBondContact O-N 2.88Å |
| 202 | N | 25.3 | Very low | 24.3 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.8 | -35.3 | 173.3 | -80 | -3.6 | 0 | 0 | 0 | 113.9 | T200 L204 Y205 S206 | T200-N202 PolarHBondContact O-N 3.32Å; N202-L204 VanDerWaalsContact C-N 3.32Å; N202-L204 PolarHBondContact O-N 3.22Å; N202-Y205 WeakPolarHBondContact O-CB 3.46Å; N202-Y205 PolarHBondContact O-N 3.39Å; N202-Y205 VanDerWaalsContact O-N 3.13Å; N202-S206 PolarHBondContact O-N 2.98Å |
| 203 | E | 25.2 | Very low | 24.4 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 51% | 0.514 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -72.3 | -29.4 | 177.5 | -67.8 | -166.4 | 174.2 | 0 | 0 | 112.1 | L199 T200 Y205 S206 | L199-E203 HydrophobicContact CD2-CB 4.18Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.49Å; T200-E203 PolarHBondContact O-N 3.07Å; E203-Y205 PolarHBondContact O-N 3.43Å; E203-S206 PolarHBondContact O-N 3.36Å |
| 204 | L | 25.1 | Very low | 24.4 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 50% | 0.503 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68 | -25.3 | 170.8 | -74 | 171.3 | 0 | 0 | 0 | 112.4 | N202 | N202-L204 VanDerWaalsContact C-N 3.32Å; N202-L204 PolarHBondContact O-N 3.22Å |
| 205 | Y | 23.2 | Very low | 24.5 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -72.9 | -29.3 | 176.2 | -108 | -89.4 | 0 | 0 | 0 | 112.9 | C201 N202 E203 F207 T208 | C201-Y205 PolarHBondContact O-N 2.88Å; N202-Y205 WeakPolarHBondContact O-CB 3.46Å; N202-Y205 PolarHBondContact O-N 3.39Å; N202-Y205 VanDerWaalsContact O-N 3.13Å; E203-Y205 PolarHBondContact O-N 3.43Å; Y205-F207 PolarHBondContact O-N 2.89Å; Y205-T208 PolarHBondContact O-N 3.31Å; Y205-T208 VanDerWaalsContact O-N 3.14Å; Y205-T208 PolarHBondContact O-OG1 2.8Å |
| 206 | S | 21.7 | Very low | 24.5 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -65.8 | -23.5 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | N202 E203 T208 | N202-S206 PolarHBondContact O-N 2.98Å; E203-S206 PolarHBondContact O-N 3.36Å; S206-T208 VanDerWaalsContact C-N 3.32Å; S206-T208 PolarHBondContact O-N 2.78Å |
| 207 | F | 25.3 | Very low | 24.3 | Very low | 180 Ų | 180 | 124 Ų | 124 | 79% | 0.789 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -8.1 | 176 | -79.8 | -81.3 | 0 | 0 | 0 | 114.2 | Y205 | Y205-F207 PolarHBondContact O-N 2.89Š|
| 208 | T | 25.4 | Very low | 24.5 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 60% | 0.595 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -1.1 | -175.9 | 58.3 | 0 | 0 | 0 | 0 | 115 | Y205 S206 | Y205-T208 PolarHBondContact O-N 3.31Å; Y205-T208 VanDerWaalsContact O-N 3.14Å; Y205-T208 PolarHBondContact O-OG1 2.8Å; S206-T208 VanDerWaalsContact C-N 3.32Å; S206-T208 PolarHBondContact O-N 2.78Å |
| 209 | R | 21.4 | Very low | 24.8 | Very low | 210 Ų | 210 | 127.3 Ų | 127.3 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | | | trans | -118.9 | 101.7 | 164.5 | -75.5 | -170 | 175.5 | -173 | 0.6 | 108.7 | N211 | R209-N211 VanDerWaalsContact C-N 3.26Å; R209-N211 PolarHBondContact O-N 3.44Å |
| 210 | P | 25.6 | Very low | 24.9 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | | | trans | -57.5 | 105.5 | 153.8 | 24.6 | -29.1 | 0 | 0 | 0 | 105.5 | L212 | P210-L212 PolarHBondContact O-N 2.94Š|
| 211 | N | 23.2 | Very low | 25.1 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | | | trans | -56.7 | 104.2 | 158.4 | -94.4 | -34.3 | 0 | 0 | 0 | 104.2 | R209 V213 Q214 | R209-N211 VanDerWaalsContact C-N 3.26Å; R209-N211 PolarHBondContact O-N 3.44Å; N211-V213 PolarHBondContact O-N 3.14Å; N211-Q214 PolarHBondContact O-N 3.35Å; N211-Q214 VanDerWaalsContact O-N 3.08Å |
| 212 | L | 24.9 | Very low | 25.3 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -52.7 | -14.8 | -177.2 | -155.5 | 84.3 | 0 | 0 | 0 | 112.1 | P210 | P210-L212 PolarHBondContact O-N 2.94Š|
| 213 | V | 24.8 | Very low | 25.4 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -75.8 | -17.7 | -178.8 | -172.5 | 0 | 0 | 0 | 0 | 113.7 | N211 T216 | N211-V213 PolarHBondContact O-N 3.14Å; V213-T216 PolarHBondContact O-OG1 3.39Å |
| 214 | Q | 24.7 | Very low | 25.5 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -93.3 | -5.9 | -177.3 | -99.3 | 179.9 | 3.5 | 0 | 0 | 116 | N211 T216 | N211-Q214 PolarHBondContact O-N 3.35Å; N211-Q214 VanDerWaalsContact O-N 3.08Å; Q214-T216 VanDerWaalsContact C-N 3.27Å; Q214-T216 PolarHBondContact O-N 3.49Å |
| 215 | L | 24.7 | Very low | 25.5 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -81.6 | -3.7 | 175.4 | -74.8 | 171.2 | 0 | 0 | 0 | 113.7 | | |
| 216 | T | 25.4 | Very low | 25.7 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 82% | 0.816 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -102.4 | 7.3 | 177.6 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | V213 Q214 | V213-T216 PolarHBondContact O-OG1 3.39Å; Q214-T216 VanDerWaalsContact C-N 3.27Å; Q214-T216 PolarHBondContact O-N 3.49Å |
| 217 | G | 23 | Very low | 26.1 | Very low | 41 Ų | 41 | 129 Ų | 129 | 42% | 0.423 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -105.3 | 133.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N219 G220 | G217-N219 PolarHBondContact O-N 3.44Å; G217-G220 PolarHBondContact O-N 3.34Å; G217-G220 VanDerWaalsContact O-N 3.11Å |
| 218 | E | 29.6 | Very low | 26.2 | Very low | 186 Ų | 186 | 126.4 Ų | 126.4 | 87% | 0.869 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -48.1 | -12.8 | 176 | -79.5 | -180 | 117.1 | 0 | 0 | 115.3 | G220 | E218-G220 PolarHBondContact O-N 3.45Š|
| 219 | N | 30.3 | Very low | 26.2 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -83.7 | -2.5 | -180 | -64.5 | -27.1 | 0 | 0 | 0 | 114.8 | G217 H221 Q222 | G217-N219 PolarHBondContact O-N 3.44Å; N219-H221 PolarHBondContact O-N 3.48Å; N219-H221 VanDerWaalsContact O-N 3.08Å; N219-Q222 PolarHBondContact O-N 3.48Å |
| 220 | G | 26.7 | Very low | 26.4 | Very low | 45 Ų | 45 | 123.5 Ų | 123.5 | 46% | 0.464 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -60.9 | -16.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G217 E218 Q222 | G217-G220 PolarHBondContact O-N 3.34Å; G217-G220 VanDerWaalsContact O-N 3.11Å; E218-G220 PolarHBondContact O-N 3.45Å; G220-Q222 PolarHBondContact O-N 2.8Å |
| 221 | H | 27.4 | Very low | 26.4 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 74% | 0.741 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -76.3 | -15.3 | -178.2 | -68.4 | -64.6 | 0 | 0 | 0 | 114.9 | N219 | N219-H221 PolarHBondContact O-N 3.48Å; N219-H221 VanDerWaalsContact O-N 3.08Å |
| 222 | Q | 28.2 | Very low | 26.4 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -79.4 | -20.5 | -177.4 | -69.8 | -164 | 2.3 | 0 | 0 | 114.3 | N219 G220 | N219-Q222 PolarHBondContact O-N 3.48Å; G220-Q222 PolarHBondContact O-N 2.8Å |
| 223 | G | 27.3 | Very low | 26.5 | Very low | 52 Ų | 52 | 126.1 Ų | 126.1 | 54% | 0.536 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -68.7 | -36.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 224 | F | 27 | Very low | 26.5 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.7 | -27.2 | -176.8 | -83.2 | -83 | 0 | 0 | 0 | 113.9 | K226 I227 L228 | F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.95Å; F224-I227 PolarHBondContact O-N 3.42Å; F224-I227 VanDerWaalsContact O-N 3.14Å; F224-L228 PolarHBondContact O-N 2.85Å |
| 225 | S | 26.2 | Very low | 26.5 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -67.1 | -28.3 | -179.8 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | I227 L228 N229 | S225-I227 VanDerWaalsContact C-N 3.3Å; S225-I227 PolarHBondContact O-N 2.83Å; S225-L228 PolarHBondContact O-N 3.29Å; S225-N229 PolarHBondContact O-N 3.43Å |
| 226 | K | 27.7 | Very low | 26.4 | Very low | 168 Ų | 168 | 122.5 Ų | 122.5 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68 | -29.3 | 173.8 | -73.9 | -171.9 | 178.8 | -178.7 | 0 | 113.1 | F224 S230 | F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.95Å; K226-S230 PolarHBondContact O-OG 3.28Å |
| 227 | I | 29.2 | Very low | 26.2 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 55% | 0.554 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.6 | -34 | -179.6 | -60 | 175.5 | 0 | 0 | 0 | 110.8 | F224 S225 S230 | F224-I227 PolarHBondContact O-N 3.42Å; F224-I227 VanDerWaalsContact O-N 3.14Å; S225-I227 VanDerWaalsContact C-N 3.3Å; S225-I227 PolarHBondContact O-N 2.83Å; I227-S230 PolarHBondContact O-N 2.93Å |
| 228 | L | 27.1 | Very low | 26 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 67% | 0.665 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.9 | -31.3 | 178.9 | -81.5 | 166.5 | 0 | 0 | 0 | 113.3 | F224 S225 S230 L231 | F224-L228 PolarHBondContact O-N 2.85Å; S225-L228 PolarHBondContact O-N 3.29Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 2.91Å; L228-L231 PolarHBondContact O-N 3.43Å |
| 229 | N | 25.7 | Very low | 25.7 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.9 | -18.5 | 176 | -82.3 | -0.6 | 0 | 0 | 0 | 113.9 | S225 L231 | S225-N229 PolarHBondContact O-N 3.43Å; N229-L231 VanDerWaalsContact C-N 3.29Å |
| 230 | S | 26.2 | Very low | 25.2 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -7.2 | 175.6 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | K226 I227 L228 E232 | K226-S230 PolarHBondContact O-OG 3.28Å; I227-S230 PolarHBondContact O-N 2.93Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 2.91Å; S230-E232 VanDerWaalsContact C-N 3.28Å; S230-E232 PolarHBondContact O-N 2.85Å |
| 231 | L | 25.6 | Very low | 24.9 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 62% | 0.623 | 70% | 0.702 | S | S | * | * | | | trans | -91.3 | 68.7 | 168.3 | -87.6 | 130.2 | 0 | 0 | 0 | 108.7 | L228 N229 I233 | L228-L231 PolarHBondContact O-N 3.43Å; N229-L231 VanDerWaalsContact C-N 3.29Å; L231-I233 VanDerWaalsContact C-N 3.26Å; L231-I233 PolarHBondContact O-N 3.3Å |
| 232 | E | 23 | Very low | 24.6 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | | | trans | -63.3 | 94.9 | 160.1 | -116.1 | -179.1 | 171.2 | 0 | 0 | 107.2 | S230 P234 | S230-E232 VanDerWaalsContact C-N 3.28Å; S230-E232 PolarHBondContact O-N 2.85Å; E232-P234 VanDerWaalsContact O-CD 3.29Å; E232-P234 WeakPolarHBondContact O-CD 3.2Å |
| 233 | I | 27.1 | Very low | 24.4 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 67% | 0.672 | 70% | 0.701 | S | S | * | * | | | trans | -73.7 | 116.3 | 169.5 | -59.2 | 171.5 | 0 | 0 | 0 | 105.5 | L231 N235 | L231-I233 VanDerWaalsContact C-N 3.26Å; L231-I233 PolarHBondContact O-N 3.3Å; I233-N235 PolarHBondContact O-N 2.81Å |
| 234 | P | 23.6 | Very low | 24.2 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | | | trans | -58.2 | 124 | -179.5 | 19.7 | -30 | 0 | 0 | 0 | 110.3 | E232 S236 | E232-P234 VanDerWaalsContact O-CD 3.29Å; E232-P234 WeakPolarHBondContact O-CD 3.2Å; P234-S236 PolarHBondContact O-N 3.41Å |
| 235 | N | 24.9 | Very low | 24 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 23.9 | -176.4 | -81.4 | -34.4 | 0 | 0 | 0 | 115.3 | I233 | I233-N235 PolarHBondContact O-N 2.81Š|
| 236 | S | 22.5 | Very low | 24.1 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 1.9 | -169 | 52.4 | 0 | 0 | 0 | 0 | 116 | P234 S238 | P234-S236 PolarHBondContact O-N 3.41Å; S236-S238 PolarHBondContact O-N 3.47Å |
| 237 | Y | 21.3 | Very low | 23.9 | Very low | 198 Ų | 198 | 126.4 Ų | 126.4 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | -101.9 | 84.6 | 176.8 | -63.4 | -77.1 | 0 | 0 | 0 | 111.3 | L239 | Y237-L239 PolarHBondContact O-N 3.44Å; Y237-L239 VanDerWaalsContact O-N 3.08Å |
| 238 | S | 20.3 | Very low | 23.8 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | -65.3 | 101.8 | 161.8 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | S236 V240 | S236-S238 PolarHBondContact O-N 3.47Å; S238-V240 PolarHBondContact O-N 3.42Å |
| 239 | L | 21.7 | Very low | 23.9 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -65.9 | 93.6 | 174.8 | -75.9 | 158.9 | 0 | 0 | 0 | 109.9 | Y237 V241 | Y237-L239 PolarHBondContact O-N 3.44Å; Y237-L239 VanDerWaalsContact O-N 3.08Å; L239-V241 PolarHBondContact O-N 2.77Å |
| 240 | V | 19.8 | Very low | 23.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -82.3 | 96.5 | 162.3 | -179 | 0 | 0 | 0 | 0 | 106.7 | S238 P242 | S238-V240 PolarHBondContact O-N 3.42Å; V240-P242 VanDerWaalsContact O-CD 3.32Å; V240-P242 WeakPolarHBondContact O-CD 3.39Å |
| 241 | V | 22 | Very low | 23.9 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -77.7 | 115.1 | 171.1 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | L239 A243 | L239-V241 PolarHBondContact O-N 2.77Å; V241-A243 PolarHBondContact O-N 2.89Å |
| 242 | P | 21.2 | Very low | 23.9 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | | | trans | -64.2 | 124.6 | 171.4 | -13.1 | 28.2 | 0 | 0 | 0 | 108.1 | V240 S244 | V240-P242 VanDerWaalsContact O-CD 3.32Å; V240-P242 WeakPolarHBondContact O-CD 3.39Å; P242-S244 VanDerWaalsContact C-N 3.27Å; P242-S244 PolarHBondContact O-N 3Å |
| 243 | A | 22.6 | Very low | 23.8 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -66.2 | 90.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V241 N245 | V241-A243 PolarHBondContact O-N 2.89Å; A243-N245 PolarHBondContact O-N 2.84Å |
| 244 | S | 23.4 | Very low | 23.9 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -65.2 | 115.3 | 173.3 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | P242 S246 | P242-S244 VanDerWaalsContact C-N 3.27Å; P242-S244 PolarHBondContact O-N 3Å; S244-S246 PolarHBondContact O-N 2.84Å |
| 245 | N | 23.7 | Very low | 23.9 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | -50.1 | 118.8 | 173.7 | -69.5 | -33.2 | 0 | 0 | 0 | 110 | A243 S247 | A243-N245 PolarHBondContact O-N 2.84Å; N245-S247 PolarHBondContact O-N 2.9Å |
| 246 | S | 26.7 | Very low | 24 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | -63.1 | 100.7 | 167.5 | 48.9 | 0 | 0 | 0 | 0 | 108.5 | S244 E248 | S244-S246 PolarHBondContact O-N 2.84Å; S246-E248 PolarHBondContact O-N 3.23Å |
| 247 | S | 25.4 | Very low | 24.2 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -65.4 | 110.7 | 166.1 | 47 | 0 | 0 | 0 | 0 | 108.6 | N245 L249 | N245-S247 PolarHBondContact O-N 2.9Å; S247-L249 PolarHBondContact O-N 3.07Å; S247-L249 VanDerWaalsContact O-N 3.09Å |
| 248 | E | 25.4 | Very low | 24.4 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -48.3 | 104.6 | 172.8 | -68.9 | 159.6 | 131.8 | 0 | 0 | 110.9 | S246 N250 | S246-E248 PolarHBondContact O-N 3.23Å; E248-N250 PolarHBondContact O-N 3.13Å |
| 249 | L | 29.8 | Very low | 24.8 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | trans | -72.1 | 105.5 | 155.7 | -89.3 | 161.6 | 0 | 0 | 0 | 106.3 | S247 D251 | S247-L249 PolarHBondContact O-N 3.07Å; S247-L249 VanDerWaalsContact O-N 3.09Å; L249-D251 PolarHBondContact O-N 3.28Å |
| 250 | N | 25.4 | Very low | 25 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -57.5 | 105.4 | 171.3 | -76.6 | -68.9 | 0 | 0 | 0 | 109.6 | E248 | E248-N250 PolarHBondContact O-N 3.13Š|
| 251 | D | 26.2 | Very low | 25.4 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -86.5 | 125.4 | 165.3 | -102.8 | -35.3 | 0 | 0 | 0 | 109.7 | L249 S253 | L249-D251 PolarHBondContact O-N 3.28Å; D251-S253 PolarHBondContact O-N 3.32Å |
| 252 | P | 25.8 | Very low | 25.4 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | trans | -81 | 104 | 164.6 | 30.4 | -27.5 | 0 | 0 | 0 | 109.7 | | |
| 253 | S | 21.9 | Very low | 25.6 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | 34.4 | 92 | 142.8 | 61.7 | 0 | 0 | 0 | 0 | 117.1 | D251 | D251-S253 PolarHBondContact O-N 3.32Š|
| 254 | V | 29.1 | Very low | 25.5 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -119.3 | 121.2 | 146.6 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 255 | S | 23.8 | Very low | 25.5 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -57.9 | 142.8 | -174.8 | 46.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 256 | E | 25.7 | Very low | 25.3 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | 53 | 97.6 | 141.4 | -60.7 | -170.3 | 163 | 0 | 0 | 118.5 | | |
| 257 | E | 26.2 | Very low | 25.1 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | | -152.7 | 114.6 | 127.2 | -123.2 | -175.2 | 121.1 | 0 | 0 | 110.7 | N259 | E257-N259 PolarHBondContact O-N 3.39Š|
| 258 | N | 26.3 | Very low | 24.9 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | -57.1 | 101.8 | 171.6 | -91 | -36.1 | 0 | 0 | 0 | 110.4 | | |
| 259 | N | 28.4 | Very low | 24.6 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | | | trans | -130.8 | 97.7 | 155.1 | -80.6 | -51.3 | 0 | 0 | 0 | 108.2 | E257 L261 | E257-N259 PolarHBondContact O-N 3.39Å; N259-L261 HydrophobicContact CB-CD1 4.43Å; N259-L261 PolarHBondContact O-N 3.13Å |
| 260 | N | 26.8 | Very low | 24.3 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -61 | 77.2 | 169.3 | -73 | -45.3 | 0 | 0 | 0 | 109.9 | | |
| 261 | L | 27.1 | Very low | 24.1 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -113.4 | 76.9 | 166.3 | -80.6 | 150.4 | 0 | 0 | 0 | 106.6 | N259 | N259-L261 HydrophobicContact CB-CD1 4.43Å; N259-L261 PolarHBondContact O-N 3.13Å |
| 262 | S | 23 | Very low | 24 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | -49.3 | 129.4 | 165.8 | -47.2 | 0 | 0 | 0 | 0 | 108.1 | L264 | S262-L264 PolarHBondContact O-N 3.38Š|
| 263 | P | 24.7 | Very low | 23.8 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -60.5 | 110.5 | -178.2 | 21.5 | -30.2 | 0 | 0 | 0 | 108.7 | R265 | P263-R265 VanDerWaalsContact C-N 3.31Å; P263-R265 PolarHBondContact O-N 3.49Å |
| 264 | L | 21.6 | Very low | 23.7 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | -59.9 | 98.5 | 169.6 | -104 | 94.3 | 0 | 0 | 0 | 107.1 | S262 T266 | S262-L264 PolarHBondContact O-N 3.38Å; L264-T266 PolarHBondContact O-N 3.47Å |
| 265 | R | 21.7 | Very low | 23.5 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | | | trans | -65 | 91.5 | 161 | -87.5 | -176.2 | 171.5 | -179.5 | -1.6 | 106.8 | P263 Y267 | P263-R265 VanDerWaalsContact C-N 3.31Å; P263-R265 PolarHBondContact O-N 3.49Å; R265-Y267 VanDerWaalsContact C-N 3.33Å; R265-Y267 HydrophobicContact CB-CD2 4.26Å; R265-Y267 HydrophobicContact CB-CE2 3.8Å; R265-Y267 VanDerWaalsContact O-CD2 3.26Å; R265-Y267 WeakPolarHBondContact O-CD2 3.46Å; R265-Y267 PolarHBondContact O-N 2.88Å |
| 266 | T | 20.8 | Very low | 23.4 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | -69.8 | 95.1 | 169.6 | -52.8 | 0 | 0 | 0 | 0 | 107.6 | L264 I268 | L264-T266 PolarHBondContact O-N 3.47Å; T266-I268 VanDerWaalsContact C-N 3.33Å; T266-I268 HydrophobicContact CG2-CG1 4.14Å; T266-I268 PolarHBondContact O-N 2.75Å |
| 267 | Y | 21 | Very low | 23.3 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -69 | 94.6 | 165.8 | -68.7 | -87.3 | 0 | 0 | 0 | 107.3 | R265 T269 | R265-Y267 VanDerWaalsContact C-N 3.33Å; R265-Y267 HydrophobicContact CB-CD2 4.26Å; R265-Y267 HydrophobicContact CB-CE2 3.8Å; R265-Y267 VanDerWaalsContact O-CD2 3.26Å; R265-Y267 WeakPolarHBondContact O-CD2 3.46Å; R265-Y267 PolarHBondContact O-N 2.88Å; Y267-T269 PolarHBondContact O-N 3.46Å |
| 268 | I | 21.6 | Very low | 23.1 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -69.7 | 93.2 | 166.8 | -57.3 | 175.2 | 0 | 0 | 0 | 105.7 | T266 P270 | T266-I268 VanDerWaalsContact C-N 3.33Å; T266-I268 HydrophobicContact CG2-CG1 4.14Å; T266-I268 PolarHBondContact O-N 2.75Å; I268-P270 WeakPolarHBondContact O-CD 3.49Å |
| 269 | T | 20.7 | Very low | 23 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | | | trans | -71.9 | 121.8 | 169.1 | -12 | 0 | 0 | 0 | 0 | 106.2 | Y267 T271 | Y267-T269 PolarHBondContact O-N 3.46Å; T269-T271 PolarHBondContact O-N 3.39Å |
| 270 | P | 22.4 | Very low | 22.8 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | -64.7 | 101.9 | 175.9 | 25.4 | -31.4 | 0 | 0 | 0 | 107.8 | I268 L272 | I268-P270 WeakPolarHBondContact O-CD 3.49Å; P270-L272 VanDerWaalsContact C-N 3.31Å; P270-L272 PolarHBondContact O-N 3.29Å |
| 271 | T | 21.1 | Very low | 22.7 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -63.9 | 98.6 | 168.5 | -45.4 | 0 | 0 | 0 | 0 | 106.4 | T269 L273 | T269-T271 PolarHBondContact O-N 3.39Å; T271-L273 VanDerWaalsContact C-N 3.3Å; T271-L273 PolarHBondContact O-N 3.22Å |
| 272 | L | 23.7 | Very low | 22.3 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -58.7 | 103.4 | 163.3 | -69.6 | 174.1 | 0 | 0 | 0 | 105.5 | P270 S274 | P270-L272 VanDerWaalsContact C-N 3.31Å; P270-L272 PolarHBondContact O-N 3.29Å; L272-S274 PolarHBondContact O-N 3.27Å |
| 273 | L | 21.2 | Very low | 22.3 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -61.3 | 89.4 | 169.2 | -79.5 | 157.1 | 0 | 0 | 0 | 106.4 | T271 V275 | T271-L273 VanDerWaalsContact C-N 3.3Å; T271-L273 PolarHBondContact O-N 3.22Å; L273-V275 VanDerWaalsContact C-N 3.3Å; L273-V275 PolarHBondContact O-N 3.23Å |
| 274 | S | 21 | Very low | 22.1 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -65.5 | 97.4 | 168 | -171.6 | 0 | 0 | 0 | 0 | 106.1 | L272 N276 | L272-S274 PolarHBondContact O-N 3.27Å; S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.39Å |
| 275 | V | 24.5 | Very low | 22.4 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -67.5 | 94.8 | 171.1 | -174.4 | 0 | 0 | 0 | 0 | 105.7 | L273 G277 | L273-V275 VanDerWaalsContact C-N 3.3Å; L273-V275 PolarHBondContact O-N 3.23Å; V275-G277 PolarHBondContact O-N 2.87Å |
| 276 | N | 21.8 | Very low | 22.5 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | -63.7 | 81.2 | 167.1 | -102.4 | -5 | 0 | 0 | 0 | 108.2 | S274 Q278 | S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.39Å; N276-Q278 VanDerWaalsContact C-N 3.32Å |
| 277 | G | 22.7 | Very low | 22.6 | Very low | 61 Ų | 61 | 137.2 Ų | 137.2 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | trans | -99.4 | 50.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V275 E279 | V275-G277 PolarHBondContact O-N 2.87Å; G277-E279 PolarHBondContact O-N 3.48Å |
| 278 | Q | 23.2 | Very low | 22.9 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -81.9 | 105.5 | 165 | -92.3 | -163 | -28.3 | 0 | 0 | 108.3 | N276 Q280 | N276-Q278 VanDerWaalsContact C-N 3.32Å; Q278-Q280 PolarHBondContact O-N 3.47Å |
| 279 | E | 24.7 | Very low | 23 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -44.5 | 123.6 | 170 | -59.6 | 172.3 | 114.3 | 0 | 0 | 109.7 | G277 Q281 | G277-E279 PolarHBondContact O-N 3.48Å; E279-Q281 VanDerWaalsContact C-N 3.35Å; E279-Q281 PolarHBondContact O-N 3.41Å |
| 280 | Q | 22.5 | Very low | 23.3 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -61.6 | 93.9 | 172.5 | -70.3 | 174.4 | -1 | 0 | 0 | 109.2 | Q278 | Q278-Q280 PolarHBondContact O-N 3.47Š|
| 281 | Q | 24.8 | Very low | 23.7 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | | | trans | -131.9 | 94.1 | 162.2 | -71.7 | -169.6 | 10.9 | 0 | 0 | 109.5 | E279 | E279-Q281 VanDerWaalsContact C-N 3.35Å; E279-Q281 PolarHBondContact O-N 3.41Å |
| 282 | S | 19.8 | Very low | 23.7 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | 37.5 | 106.6 | 141.3 | -162.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 283 | S | 23.4 | Very low | 24 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | | -171.5 | 137.2 | 115.5 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 284 | V | 20.1 | Very low | 24.2 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | | | trans | -83.2 | 115.7 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 285 | V | 27.3 | Very low | 24.5 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -151.6 | 144.3 | 149.6 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 286 | A | 24.3 | Very low | 24.5 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -59.5 | 168.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 287 | P | 22.9 | Very low | 24.8 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | trans | -90.9 | 136 | -173.9 | 34.4 | -29.3 | 0 | 0 | 0 | 113.1 | | |
| 288 | E | 28.2 | Very low | 24.9 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | | | trans | -132.6 | 152.1 | 164.4 | -72.5 | -157.1 | 151.2 | 0 | 0 | 112.2 | | |
| 289 | S | 23.6 | Very low | 24.8 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | | | trans | -73.3 | 162.9 | -150.6 | -62.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 290 | P | 27.2 | Very low | 24.9 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | | | trans | -86.6 | 132.1 | 180 | 32.5 | -31.3 | 0 | 0 | 0 | 113.1 | | |
| 291 | L | 28.9 | Very low | 25 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | trans | -127.2 | 120.5 | 169 | -84.1 | 168.1 | 0 | 0 | 0 | 112 | | |
| 292 | S | 22.8 | Very low | 24.8 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 82% | 0.822 | S | S | * | * | | | trans | -40.8 | 125.6 | 166.2 | 142.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 293 | H | 29 | Very low | 24.9 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.787 | 82% | 0.822 | S | S | * | * | | | trans | -118.1 | 100 | 155.8 | -79.7 | -63.8 | 0 | 0 | 0 | 109.7 | | |
| 294 | Q | 26.3 | Very low | 24.8 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.7 | 166 | -70.7 | -158.4 | -17.9 | 0 | 0 | 109.3 | | |
| 295 | H | 26.9 | Very low | 25 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 119.5 | 165.8 | -82.2 | -75.9 | 0 | 0 | 0 | 110 | | |
| 296 | S | 24.8 | Very low | 24.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125 | -177.2 | -40.1 | 0 | 0 | 0 | 0 | 111.3 | S298 | S296-S298 PolarHBondContact O-N 3.37Š|
| 297 | L | 27.7 | Very low | 24.7 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | | | trans | -86.7 | 101.6 | 174.8 | -73.4 | 162.3 | 0 | 0 | 0 | 110 | | |
| 298 | S | 24.9 | Very low | 24.7 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -91.7 | 107.3 | 174 | 39.3 | 0 | 0 | 0 | 0 | 112.2 | S296 | S296-S298 PolarHBondContact O-N 3.37Š|
| 299 | R | 21.3 | Very low | 24.5 | Very low | 236 Ų | 236 | 140.4 Ų | 140.4 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | 21.6 | 113.4 | 143 | -152.6 | 175.8 | -164.9 | -167.8 | 3.8 | 118.7 | | |
| 300 | P | 26.5 | Very low | 24.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 141.5 | 157.9 | -4.3 | 21.3 | 0 | 0 | 0 | 111.2 | | |
| 301 | A | 24.1 | Very low | 24.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 147.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V303 | A301-V303 PolarHBondContact O-N 2.84Š|
| 302 | S | 20.5 | Very low | 24 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122.2 | 171.8 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 303 | V | 23.1 | Very low | 24.1 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 126.1 | 166 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | A301 | A301-V303 PolarHBondContact O-N 2.84Š|
| 304 | A | 21.2 | Very low | 23.9 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 150.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A306 | A304-A306 PolarHBondContact O-N 3.01Š|
| 305 | P | 23.6 | Very low | 23.9 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -71.8 | 113.2 | -180 | 28.5 | -32.2 | 0 | 0 | 0 | 110.3 | S307 | P305-S307 PolarHBondContact O-N 3.09Š|
| 306 | A | 25.1 | Very low | 23.9 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -67.7 | 125.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A304 | A304-A306 PolarHBondContact O-N 3.01Š|
| 307 | S | 21.4 | Very low | 24 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -53.8 | 137.7 | -177.9 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | P305 D309 | P305-S307 PolarHBondContact O-N 3.09Å; S307-D309 PolarHBondContact O-N 3.15Å |
| 308 | R | 22.5 | Very low | 23.7 | Very low | 236 Ų | 236 | 130.6 Ų | 130.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | -8.6 | 110.5 | 142 | -69.5 | 173.2 | 163.9 | 161 | -4.9 | 114 | | |
| 309 | D | 23.9 | Very low | 23.7 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -163.7 | 96.9 | 139.4 | -87.1 | -32.6 | 0 | 0 | 0 | 106.2 | S307 P311 | S307-D309 PolarHBondContact O-N 3.15Å; D309-P311 WeakPolarHBondContact O-CD 3.26Å |
| 310 | L | 22.7 | Very low | 23.7 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -92.7 | 101.9 | 177.4 | -151.3 | 81.5 | 0 | 0 | 0 | 106.7 | T312 | L310-T312 PolarHBondContact O-N 2.89Å; L310-T312 VanDerWaalsContact O-N 3.13Å |
| 311 | P | 24 | Very low | 23.6 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | -73.4 | 108.4 | 174 | 27.6 | -31.3 | 0 | 0 | 0 | 108.8 | D309 C313 | D309-P311 WeakPolarHBondContact O-CD 3.26Å; P311-C313 PolarHBondContact O-N 3.35Å |
| 312 | T | 22.1 | Very low | 23.5 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | | | trans | -66.7 | 76.2 | 166.9 | -33.3 | 0 | 0 | 0 | 0 | 109.2 | L310 G314 | L310-T312 PolarHBondContact O-N 2.89Å; L310-T312 VanDerWaalsContact O-N 3.13Å; T312-G314 PolarHBondContact O-N 3.26Å |
| 313 | C | 25.2 | Very low | 23.6 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 56% | 0.561 | 76% | 0.759 | S | S | * | * | | | trans | -93.5 | 93.7 | 173.5 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | P311 N315 | P311-C313 PolarHBondContact O-N 3.35Å; C313-N315 PolarHBondContact O-N 2.86Å |
| 314 | G | 23.6 | Very low | 23.8 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -63.2 | 79.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T312 N316 | T312-G314 PolarHBondContact O-N 3.26Å; G314-N316 PolarHBondContact O-N 3.49Å |
| 315 | N | 27.1 | Very low | 23.8 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | | | trans | -85.4 | 105.1 | 178.4 | -82 | 2.3 | 0 | 0 | 0 | 108.5 | C313 I317 | C313-N315 PolarHBondContact O-N 2.86Å; N315-I317 PolarHBondContact O-N 2.9Å; N315-I317 VanDerWaalsContact O-N 3.11Å |
| 316 | N | 26.7 | Very low | 24 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -44.6 | 115.4 | 162.7 | -61.9 | -54.6 | 0 | 0 | 0 | 109.1 | G314 S318 | G314-N316 PolarHBondContact O-N 3.49Å; N316-S318 PolarHBondContact O-N 3.45Å; N316-S318 PolarHBondContact O-OG 2.98Å |
| 317 | I | 26.2 | Very low | 24 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -64.5 | 104.2 | 172.1 | -60.1 | 173.7 | 0 | 0 | 0 | 106.3 | N315 L319 | N315-I317 PolarHBondContact O-N 2.9Å; N315-I317 VanDerWaalsContact O-N 3.11Å; I317-L319 HydrophobicContact CG2-CD1 3.99Å; I317-L319 PolarHBondContact O-N 3.44Å |
| 318 | S | 22.9 | Very low | 24.2 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -84 | 97.2 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 107.1 | N316 L320 | N316-S318 PolarHBondContact O-N 3.45Å; N316-S318 PolarHBondContact O-OG 2.98Å; S318-L320 PolarHBondContact O-N 3.25Å |
| 319 | L | 23.4 | Very low | 24.5 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | | | trans | -72.2 | 106.7 | 171 | -120 | 87.7 | 0 | 0 | 0 | 108.2 | I317 I321 | I317-L319 HydrophobicContact CG2-CD1 3.99Å; I317-L319 PolarHBondContact O-N 3.44Å; L319-I321 HydrophobicContact CD2-CD1 4.45Å; L319-I321 HydrophobicContact CD2-CG1 4.33Å; L319-I321 PolarHBondContact O-N 2.89Å |
| 320 | L | 21.6 | Very low | 24.6 | Very low | 157 Ų | 157 | 124.2 Ų | 124.2 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -81.6 | 93.5 | 173 | -157.6 | 95.8 | 0 | 0 | 0 | 108.5 | S318 V322 | S318-L320 PolarHBondContact O-N 3.25Å; L320-V322 HydrophobicContact CD2-CG2 4Å; L320-V322 PolarHBondContact O-N 3.42Å |
| 321 | I | 24.1 | Very low | 24.6 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | -85 | 101.8 | 174.4 | -57.6 | 174.8 | 0 | 0 | 0 | 107.7 | L319 G323 | L319-I321 HydrophobicContact CD2-CD1 4.45Å; L319-I321 HydrophobicContact CD2-CG1 4.33Å; L319-I321 PolarHBondContact O-N 2.89Å; I321-G323 PolarHBondContact O-N 2.86Å; I321-G323 VanDerWaalsContact O-N 3.11Å |
| 322 | V | 22.4 | Very low | 24.5 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -77.3 | 90.7 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | L320 | L320-V322 HydrophobicContact CD2-CG2 4Å; L320-V322 PolarHBondContact O-N 3.42Å |
| 323 | G | 23.5 | Very low | 24.6 | Very low | 46 Ų | 46 | 125.6 Ų | 125.6 | 47% | 0.474 | 76% | 0.762 | S | S | . | * | S | Bend | trans | -153.7 | 149.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | I321 S325 | I321-G323 PolarHBondContact O-N 2.86Å; I321-G323 VanDerWaalsContact O-N 3.11Å; G323-S325 PolarHBondContact O-N 3.43Å |
| 324 | P | 25.8 | Very low | 24.7 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | -62.7 | 123.1 | -170.6 | 25.5 | -32.4 | 0 | 0 | 0 | 110.7 | S326 | P324-S326 PolarHBondContact O-N 2.91Å; P324-S326 VanDerWaalsContact O-N 3.13Å |
| 325 | S | 22.4 | Very low | 25.1 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -32.9 | 107.8 | -179.8 | -53.7 | 0 | 0 | 0 | 0 | 114.2 | G323 | G323-S325 PolarHBondContact O-N 3.43Š|
| 326 | S | 27.2 | Very low | 25.2 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -139.9 | 105.9 | 154.1 | -80.9 | 0 | 0 | 0 | 0 | 107.6 | P324 A328 | P324-S326 PolarHBondContact O-N 2.91Å; P324-S326 VanDerWaalsContact O-N 3.13Å; S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.25Å |
| 327 | A | 25.8 | Very low | 25.2 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -63.2 | 86.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | N329 | A327-N329 PolarHBondContact O-N 2.92Š|
| 328 | A | 26 | Very low | 25.3 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | | | trans | -81.7 | 95.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S326 F330 | S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.25Å; A328-F330 HydrophobicContact CB-CE2 4.4Å; A328-F330 WeakPolarHBondContact O-CD2 3.44Å; A328-F330 PolarHBondContact O-N 3.46Å |
| 329 | N | 27.6 | Very low | 25.4 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -61.3 | 101.1 | 172.1 | -77.4 | -49.2 | 0 | 0 | 0 | 110.4 | A327 R331 | A327-N329 PolarHBondContact O-N 2.92Å; N329-R331 PolarHBondContact O-N 2.99Å |
| 330 | F | 25.4 | Very low | 25.6 | Very low | 201 Ų | 201 | 136.1 Ų | 136.1 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -76.4 | 104.7 | 167.9 | -76.3 | -88.5 | 0 | 0 | 0 | 109.4 | A328 | A328-F330 HydrophobicContact CB-CE2 4.4Å; A328-F330 WeakPolarHBondContact O-CD2 3.44Å; A328-F330 PolarHBondContact O-N 3.46Å |
| 331 | R | 24.2 | Very low | 25.7 | Very low | 239 Ų | 239 | 135.5 Ų | 135.5 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -93.3 | 108 | 166.3 | -78.2 | -171.2 | 173.3 | -143.9 | -0.2 | 109.3 | N329 G333 | N329-R331 PolarHBondContact O-N 2.99Å; R331-G333 PolarHBondContact O-N 3.03Å; R331-G333 VanDerWaalsContact O-N 3.11Å |
| 332 | C | 21.3 | Very low | 26 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | | | trans | -66.9 | 97.8 | 164 | -94 | 0 | 0 | 0 | 0 | 109.5 | N334 | C332-N334 PolarHBondContact O-N 2.82Š|
| 333 | G | 25.3 | Very low | 26.1 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | -85.9 | 92.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R331 | R331-G333 PolarHBondContact O-N 3.03Å; R331-G333 VanDerWaalsContact O-N 3.11Å |
| 334 | N | 26.3 | Very low | 26.3 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | -75.3 | 115.1 | 161.6 | -85.8 | -28.8 | 0 | 0 | 0 | 108.3 | C332 | C332-N334 PolarHBondContact O-N 2.82Š|
| 335 | D | 31.6 | Very low | 26.4 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | | | trans | -140.7 | 132.1 | 159.6 | -86.4 | -43.6 | 0 | 0 | 0 | 112.2 | | |
| 336 | K | 29.1 | Very low | 26.9 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | | | trans | -78.8 | 155.1 | -169.4 | -73.2 | 168.7 | 167.6 | 176.8 | 0 | 112.9 | | |
| 337 | Q | 26.2 | Very low | 27.2 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | | | trans | 51.8 | 115.3 | 139.2 | -73.3 | 169.5 | -10.6 | 0 | 0 | 119.5 | | |
| 338 | G | 28.4 | Very low | 27.6 | Very low | 77 Ų | 77 | 152.6 Ų | 152.6 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | -166 | 91 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S340 | G338-S340 PolarHBondContact O-N 2.85Š|
| 339 | N | 25.5 | Very low | 28 | Very low | 175 Ų | 175 | 159.3 Ų | 159.3 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | | | trans | -63.9 | 121.8 | 163.6 | -78.4 | -13.1 | 0 | 0 | 0 | 108.9 | | |
| 340 | S | 28.2 | Very low | 28.3 | Very low | 103 Ų | 103 | 162.6 Ų | 162.6 | 72% | 0.72 | 85% | 0.845 | S | S | * | * | | | trans | -155 | 106.3 | 161.1 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | G338 V342 | G338-S340 PolarHBondContact O-N 2.85Å; S340-V342 PolarHBondContact O-N 3.36Å |
| 341 | T | 22.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 157.7 Ų | 157.7 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | | | trans | -61.4 | 106.7 | 165.3 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 342 | V | 30.7 | Very low | 29.1 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | | | trans | -133 | 129.9 | 165.7 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | S340 | S340-V342 PolarHBondContact O-N 3.36Š|
| 343 | A | 25 | Very low | 29.6 | Very low | 86 Ų | 86 | 152.9 Ų | 152.9 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | -54.8 | 152.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S345 | A343-S345 PolarHBondContact O-N 3.31Š|
| 344 | P | 28.7 | Very low | 29.8 | Very low | 133 Ų | 133 | 155 Ų | 155 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -89.8 | 95.6 | 178.7 | 34.9 | -28.6 | 0 | 0 | 0 | 110.1 | | |
| 345 | S | 26.7 | Very low | 30 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -165.3 | 96.5 | 156.9 | -158.8 | 0 | 0 | 0 | 0 | 111.2 | A343 | A343-S345 PolarHBondContact O-N 3.31Š|
| 346 | R | 33.6 | Very low | 30.1 | Very low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -167 | 112.3 | 145.5 | -103 | 156.8 | -163.5 | -157.4 | 5.7 | 108.5 | R348 | R346-R348 PolarHBondContact O-N 3.11Š|
| 347 | K | 33.7 | Very low | 30.2 | Very low | 220 Ų | 220 | 145.2 Ų | 145.2 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | | | trans | -43.5 | 94.7 | 168.4 | -63 | 178.6 | 177 | -179.3 | 0 | 110.1 | | |
| 348 | R | 34.5 | Very low | 30.5 | Very low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -104.8 | 110.8 | 165.6 | -90.2 | -174.1 | 153.9 | 179.6 | -6.4 | 107.5 | R346 R350 | R346-R348 PolarHBondContact O-N 3.11Å; R348-R350 VanDerWaalsContact C-N 3.25Å; R348-R350 PolarHBondContact O-N 2.78Å |
| 349 | K | 33.8 | Very low | 30.9 | Very low | 215 Ų | 215 | 142.3 Ų | 142.3 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | | | trans | -50.8 | 92 | 162.9 | -74.8 | 177.9 | 171.5 | -179.4 | 0 | 107.6 | S351 | K349-S351 PolarHBondContact O-N 3.48Š|
| 350 | R | 32.7 | Very low | 31.6 | Very low | 218 Ų | 218 | 141.2 Ų | 141.2 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | | | trans | -85.4 | 94.2 | 172.4 | -153.7 | 172.8 | -169.7 | 172.5 | 1 | 105.4 | R348 H352 | R348-R350 VanDerWaalsContact C-N 3.25Å; R348-R350 PolarHBondContact O-N 2.78Å; R350-H352 PolarHBondContact O-N 3.11Å; R350-H352 VanDerWaalsContact O-N 3.07Å |
| 351 | S | 35 | Very low | 32.3 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -47 | 112.9 | 159.6 | 45.1 | 0 | 0 | 0 | 0 | 107.5 | K349 S353 | K349-S351 PolarHBondContact O-N 3.48Å; S351-S353 PolarHBondContact O-N 3.08Å |
| 352 | H | 32.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -69.7 | 81.6 | 168.6 | -74.7 | -73.7 | 0 | 0 | 0 | 107.6 | R350 T354 | R350-H352 PolarHBondContact O-N 3.11Å; R350-H352 VanDerWaalsContact O-N 3.07Å; H352-T354 PolarHBondContact O-N 3.37Å |
| 353 | S | 31.1 | Very low | 34 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -73.5 | 78.9 | 152.6 | 57.6 | 0 | 0 | 0 | 0 | 105.8 | S351 S355 | S351-S353 PolarHBondContact O-N 3.08Å; S353-S355 PolarHBondContact O-N 3.28Å |
| 354 | T | 29.9 | Very low | 34.8 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | -68 | 92.9 | 155.3 | 40.7 | 0 | 0 | 0 | 0 | 104.8 | H352 A356 | H352-T354 PolarHBondContact O-N 3.37Å; T354-A356 PolarHBondContact O-N 3.48Å |
| 355 | S | 30.3 | Very low | 35.8 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | trans | -59.6 | 89.6 | 152.8 | 48.1 | 0 | 0 | 0 | 0 | 104.7 | S353 T357 | S353-S355 PolarHBondContact O-N 3.28Å; S355-T357 PolarHBondContact O-N 3.14Å |
| 356 | A | 33.6 | Very low | 37.1 | Very low | 77 Ų | 77 | 142 Ų | 142 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | trans | -54.7 | 91 | 152.9 | 0 | 0 | 0 | 0 | 0 | 103.8 | T354 D358 | T354-A356 PolarHBondContact O-N 3.48Å; A356-D358 PolarHBondContact O-N 2.77Å |
| 357 | T | 32.8 | Very low | 37.9 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | | | trans | -61.4 | 102.8 | 152.6 | 20.6 | 0 | 0 | 0 | 0 | 101.2 | S355 A359 | S355-T357 PolarHBondContact O-N 3.14Å; T357-A359 PolarHBondContact O-N 3.47Å |
| 358 | D | 32.3 | Very low | 39.2 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | | | trans | -58.9 | 69.5 | 157.9 | -74.6 | -38.7 | 0 | 0 | 0 | 106 | A356 E360 | A356-D358 PolarHBondContact O-N 2.77Å; D358-E360 PolarHBondContact O-N 3.38Å |
| 359 | A | 36.5 | Very low | 40.7 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | | | trans | -62.5 | 91.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 102.3 | T357 D361 | T357-A359 PolarHBondContact O-N 3.47Å; A359-D361 PolarHBondContact O-N 2.7Å |
| 360 | E | 40.2 | Very low | 42.1 | Very low | 151 Ų | 151 | 118 Ų | 118 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | | | trans | -47.3 | 68.6 | 145.8 | -73.7 | -86 | 140.6 | 0 | 0 | 107.3 | D358 N362 | D358-E360 PolarHBondContact O-N 3.38Å; E360-N362 PolarHBondContact O-N 3.34Å |
| 361 | D | 43 | Very low | 43.1 | Very low | 138 Ų | 138 | 111.3 Ų | 111.3 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | | | trans | -67.9 | 78.3 | 164.3 | -83.9 | -20.8 | 0 | 0 | 0 | 103.4 | A359 S363 | A359-D361 PolarHBondContact O-N 2.7Å; D361-S363 PolarHBondContact O-N 3.17Å |
| 362 | N | 42.2 | Very low | 44.3 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | | | trans | -63.8 | 49.4 | 154.7 | -74.7 | -56.4 | 0 | 0 | 0 | 108.3 | E360 Y364 | E360-N362 PolarHBondContact O-N 3.34Å; N362-Y364 PolarHBondContact O-N 2.72Å |
| 363 | S | 46.8 | Very low | 45.5 | Very low | 88 Ų | 88 | 112.2 Ų | 112.2 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | | | trans | -61.4 | 85.1 | 156 | 175.9 | 0 | 0 | 0 | 0 | 104.4 | D361 I365 | D361-S363 PolarHBondContact O-N 3.17Å; S363-I365 PolarHBondContact O-N 2.67Å |
| 364 | Y | 40.8 | Very low | 46.9 | Very low | 187 Ų | 187 | 111 Ų | 111 | 73% | 0.733 | 60% | 0.6 | S | S | * | * | | | trans | -54.3 | 93.5 | 158.4 | -178 | -95.1 | 0 | 0 | 0 | 105.2 | N362 D366 | N362-Y364 PolarHBondContact O-N 2.72Å; Y364-D366 VanDerWaalsContact C-N 3.35Å; Y364-D366 PolarHBondContact O-N 2.67Å |
| 365 | I | 51 | Low | 48 | Very low | 101 Ų | 101 | 108.3 Ų | 108.3 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | | | trans | -62.8 | 108.1 | 168.2 | -74.3 | 171.6 | 0 | 0 | 0 | 103.8 | S363 T367 L370 | S363-I365 PolarHBondContact O-N 2.67Å; I365-T367 VanDerWaalsContact C-N 3.32Å; I365-T367 PolarHBondContact O-N 2.78Å; I365-L370 HydrophobicContact CG2-CB 4.04Å; I365-L370 HydrophobicContact CG2-CD2 4.17Å |
| 366 | D | 54.1 | Low | 49 | Very low | 75 Ų | 75 | 112 Ų | 112 | 40% | 0.401 | 59% | 0.586 | S | S | . | * | | | trans | -57 | 102.7 | 173.7 | -173.9 | -10.2 | 0 | 0 | 0 | 107.2 | Y364 K368 E369 L370 | Y364-D366 VanDerWaalsContact C-N 3.35Å; Y364-D366 PolarHBondContact O-N 2.67Å; D366-K368 PolarHBondContact O-N 3.24Å; D366-K368 VanDerWaalsContact OD1-CB 3.27Å; D366-K368 WeakPolarHBondContact OD1-CB 3.45Å; D366-K368 PolarHBondContact OD1-N 2.95Å; D366-K368 VanDerWaalsContact OD1-N 3.1Å; D366-E369 HydrophobicContact CB-CB 4.25Å; D366-E369 PolarHBondContact O-N 2.83Å; D366-L370 PolarHBondContact O-N 2.76Å; D366-L370 VanDerWaalsContact O-N 3.08Å |
| 367 | T | 49.6 | Very low | 50 | Low | 90 Ų | 90 | 113.9 Ų | 113.9 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.1 | -25.2 | -176.7 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | I365 C371 | I365-T367 VanDerWaalsContact C-N 3.32Å; I365-T367 PolarHBondContact O-N 2.78Å; T367-C371 WeakPolarHBondContact O-CB 3.35Å; T367-C371 PolarHBondContact O-N 2.83Å; T367-C371 PolarHBondContact O-SG 2.91Å; T367-C371 VanDerWaalsContact O-SG 3.38Å |
| 368 | K | 60.2 | Low | 50.9 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 60% | 0.596 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.9 | -47.9 | 174.2 | -168.8 | -174.4 | 174.3 | -165.8 | 0 | 111.7 | D366 L370 C371 E372 | D366-K368 PolarHBondContact O-N 3.24Å; D366-K368 VanDerWaalsContact OD1-CB 3.27Å; D366-K368 WeakPolarHBondContact OD1-CB 3.45Å; D366-K368 PolarHBondContact OD1-N 2.95Å; D366-K368 VanDerWaalsContact OD1-N 3.1Å; K368-L370 VanDerWaalsContact C-N 3.32Å; K368-L370 PolarHBondContact O-N 3.41Å; K368-C371 PolarHBondContact O-N 3.36Å; K368-E372 PolarHBondContact O-N 2.99Å |
| 369 | E | 65.6 | Low | 51.7 | Low | 93 Ų | 93 | 116.7 Ų | 116.7 | 44% | 0.435 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63 | -41 | 177.6 | -167 | -170.2 | 163 | 0 | 0 | 110.9 | D366 C371 E372 R373 | D366-E369 HydrophobicContact CB-CB 4.25Å; D366-E369 PolarHBondContact O-N 2.83Å; E369-C371 PolarHBondContact O-N 3.2Å; E369-E372 PolarHBondContact O-N 2.82Å; E369-R373 PolarHBondContact O-N 3.24Å; E369-R373 IonicContact OE1-CZ 3.3Å; E369-R373 VanDerWaalsContact OE1-CZ 3.28Å; E369-R373 IonicContact OE1-NE 2.98Å; E369-R373 PolarHBondContact OE1-NE 3.26Å; E369-R373 IonicContact OE1-NH2 2.72Å; E369-R373 PolarHBondContact OE1-NH2 2.97Å |
| 370 | L | 63.2 | Low | 52.5 | Low | 82 Ų | 82 | 116.9 Ų | 116.9 | 43% | 0.429 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 175.9 | -176.3 | 66.7 | 0 | 0 | 0 | 111.5 | I365 D366 K368 R373 I374 | I365-L370 HydrophobicContact CG2-CB 4.04Å; I365-L370 HydrophobicContact CG2-CD2 4.17Å; D366-L370 PolarHBondContact O-N 2.76Å; D366-L370 VanDerWaalsContact O-N 3.08Å; K368-L370 VanDerWaalsContact C-N 3.32Å; K368-L370 PolarHBondContact O-N 3.41Å; L370-R373 PolarHBondContact O-N 2.85Å; L370-I374 HydrophobicContact CD1-CD1 4.16Å; L370-I374 HydrophobicContact CD1-CG1 4.49Å; L370-I374 HydrophobicContact CG-CD1 3.9Å; L370-I374 WeakPolarHBondContact O-CB 3.27Å; L370-I374 VanDerWaalsContact O-CG1 3.26Å; L370-I374 WeakPolarHBondContact O-CG1 3.35Å; L370-I374 PolarHBondContact O-N 2.92Å |
| 371 | C | 55.5 | Low | 52.8 | Low | 77 Ų | 77 | 114.9 Ų | 114.9 | 52% | 0.52 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.2 | -39.6 | 176.4 | -82 | 0 | 0 | 0 | 0 | 112.5 | T367 K368 E369 S375 | T367-C371 WeakPolarHBondContact O-CB 3.35Å; T367-C371 PolarHBondContact O-N 2.83Å; T367-C371 PolarHBondContact O-SG 2.91Å; T367-C371 VanDerWaalsContact O-SG 3.38Å; K368-C371 PolarHBondContact O-N 3.36Å; E369-C371 PolarHBondContact O-N 3.2Å; C371-S375 VanDerWaalsContact O-CB 3.26Å; C371-S375 WeakPolarHBondContact O-CB 3.36Å; C371-S375 PolarHBondContact O-N 3.46Å; C371-S375 PolarHBondContact O-OG 3.08Å |
| 372 | E | 59.7 | Low | 52.6 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 56% | 0.556 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -44.8 | 174.8 | -79.7 | 179.9 | -172 | 0 | 0 | 111.5 | K368 E369 S375 Y376 | K368-E372 PolarHBondContact O-N 2.99Å; E369-E372 PolarHBondContact O-N 2.82Å; E372-S375 PolarHBondContact O-N 2.86Å; E372-Y376 WeakPolarHBondContact O-CB 3.36Å; E372-Y376 PolarHBondContact O-N 3.15Å |
| 373 | R | 57.7 | Low | 52.2 | Low | 161 Ų | 161 | 111.9 Ų | 111.9 | 61% | 0.608 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60 | -48.2 | 175.4 | -79.5 | -174.2 | -173 | -175.6 | 5.2 | 112.2 | E369 L370 S375 Y376 E377 | E369-R373 PolarHBondContact O-N 3.24Å; E369-R373 IonicContact OE1-CZ 3.3Å; E369-R373 VanDerWaalsContact OE1-CZ 3.28Å; E369-R373 IonicContact OE1-NE 2.98Å; E369-R373 PolarHBondContact OE1-NE 3.26Å; E369-R373 IonicContact OE1-NH2 2.72Å; E369-R373 PolarHBondContact OE1-NH2 2.97Å; L370-R373 PolarHBondContact O-N 2.85Å; R373-S375 VanDerWaalsContact C-N 3.31Å; R373-S375 PolarHBondContact O-N 3.12Å; R373-Y376 PolarHBondContact O-N 3.45Å; R373-E377 PolarHBondContact O-N 3.47Å |
| 374 | I | 59.2 | Low | 51.6 | Low | 80 Ų | 80 | 111.4 Ų | 111.4 | 41% | 0.41 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 178.2 | -67.4 | 167.6 | 0 | 0 | 0 | 110.5 | L370 E377 L378 | L370-I374 HydrophobicContact CD1-CD1 4.16Å; L370-I374 HydrophobicContact CD1-CG1 4.49Å; L370-I374 HydrophobicContact CG-CD1 3.9Å; L370-I374 WeakPolarHBondContact O-CB 3.27Å; L370-I374 VanDerWaalsContact O-CG1 3.26Å; L370-I374 WeakPolarHBondContact O-CG1 3.35Å; L370-I374 PolarHBondContact O-N 2.92Å; I374-E377 PolarHBondContact O-N 3.06Å; I374-L378 HydrophobicContact CG2-CD1 3.67Å; I374-L378 HydrophobicContact CG2-CG 4.15Å; I374-L378 VanDerWaalsContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CB 3.29Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.34Å; I374-L378 PolarHBondContact O-N 3.05Å |
| 375 | S | 53.8 | Low | 51.3 | Low | 60 Ų | 60 | 111.9 Ų | 111.9 | 42% | 0.42 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.5 | -39.1 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 112 | C371 E372 R373 R379 | C371-S375 VanDerWaalsContact O-CB 3.26Å; C371-S375 WeakPolarHBondContact O-CB 3.36Å; C371-S375 PolarHBondContact O-N 3.46Å; C371-S375 PolarHBondContact O-OG 3.08Å; E372-S375 PolarHBondContact O-N 2.86Å; R373-S375 VanDerWaalsContact C-N 3.31Å; R373-S375 PolarHBondContact O-N 3.12Å; S375-R379 WeakPolarHBondContact O-CB 3.43Å; S375-R379 WeakPolarHBondContact O-CG 3.26Å; S375-R379 PolarHBondContact O-N 2.7Å |
| 376 | Y | 50.7 | Low | 50.2 | Low | 176 Ų | 176 | 111.1 Ų | 111.1 | 69% | 0.69 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -45.2 | 175.5 | -175.2 | -96.3 | 0 | 0 | 0 | 111.3 | E372 R373 R379 S380 | E372-Y376 WeakPolarHBondContact O-CB 3.36Å; E372-Y376 PolarHBondContact O-N 3.15Å; R373-Y376 PolarHBondContact O-N 3.45Å; Y376-R379 PolarHBondContact O-N 3.48Å; Y376-S380 WeakPolarHBondContact O-CB 3.32Å; Y376-S380 PolarHBondContact O-N 2.98Å; Y376-S380 PolarHBondContact O-OG 3.23Å |
| 377 | E | 55.1 | Low | 49 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.8 | -42.2 | 175.3 | -77.3 | -169.4 | 170.2 | 0 | 0 | 112.3 | R373 I374 R379 S380 H381 | R373-E377 PolarHBondContact O-N 3.47Å; I374-E377 PolarHBondContact O-N 3.06Å; E377-R379 VanDerWaalsContact C-N 3.35Å; E377-R379 PolarHBondContact O-N 3.4Å; E377-S380 WeakPolarHBondContact CA-OG 3.44Å; E377-S380 PolarHBondContact O-N 3.24Å; E377-S380 PolarHBondContact O-OG 2.92Å; E377-S380 VanDerWaalsContact O-OG 3.09Å; E377-H381 WeakPolarHBondContact O-CB 3.44Å; E377-H381 PolarHBondContact O-CD2 3.05Å; E377-H381 VanDerWaalsContact O-CG 3.25Å; E377-H381 PolarHBondContact O-N 3.27Å |
| 378 | L | 51.2 | Low | 47.9 | Very low | 119 Ų | 119 | 115.7 Ų | 115.7 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -36.6 | 177.3 | -73.7 | 173.1 | 0 | 0 | 0 | 112.3 | I374 H381 T382 | I374-L378 HydrophobicContact CG2-CD1 3.67Å; I374-L378 HydrophobicContact CG2-CG 4.15Å; I374-L378 VanDerWaalsContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CB 3.29Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.34Å; I374-L378 PolarHBondContact O-N 3.05Å; L378-H381 CarbonylContact O-C 3.29Å; L378-H381 VanDerWaalsContact O-C 3.29Å; L378-T382 PolarHBondContact O-N 2.9Å |
| 379 | R | 50.4 | Low | 46.4 | Very low | 205 Ų | 205 | 113.8 Ų | 113.8 | 77% | 0.774 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.5 | -36.7 | 175 | -83.4 | -176.9 | 176.3 | 154.8 | -0.4 | 112.7 | S375 Y376 E377 H381 T382 | S375-R379 WeakPolarHBondContact O-CB 3.43Å; S375-R379 WeakPolarHBondContact O-CG 3.26Å; S375-R379 PolarHBondContact O-N 2.7Å; Y376-R379 PolarHBondContact O-N 3.48Å; E377-R379 VanDerWaalsContact C-N 3.35Å; E377-R379 PolarHBondContact O-N 3.4Å; R379-H381 VanDerWaalsContact C-N 3.29Å; R379-T382 WeakPolarHBondContact O-CG2 3.28Å; R379-T382 PolarHBondContact O-N 2.89Å |
| 380 | S | 52.3 | Low | 44.6 | Very low | 67 Ų | 67 | 113.6 Ų | 113.6 | 47% | 0.469 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.8 | -26.3 | 175.3 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | Y376 E377 | Y376-S380 WeakPolarHBondContact O-CB 3.32Å; Y376-S380 PolarHBondContact O-N 2.98Å; Y376-S380 PolarHBondContact O-OG 3.23Å; E377-S380 WeakPolarHBondContact CA-OG 3.44Å; E377-S380 PolarHBondContact O-N 3.24Å; E377-S380 PolarHBondContact O-OG 2.92Å; E377-S380 VanDerWaalsContact O-OG 3.09Å |
| 381 | H | 46.5 | Very low | 42.8 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 51% | 0.505 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.6 | 40.6 | 171.1 | -60 | -48.5 | 0 | 0 | 0 | 112.6 | E377 L378 R379 I383 | E377-H381 WeakPolarHBondContact O-CB 3.44Å; E377-H381 PolarHBondContact O-CD2 3.05Å; E377-H381 VanDerWaalsContact O-CG 3.25Å; E377-H381 PolarHBondContact O-N 3.27Å; L378-H381 CarbonylContact O-C 3.29Å; L378-H381 VanDerWaalsContact O-C 3.29Å; R379-H381 VanDerWaalsContact C-N 3.29Å; H381-I383 PolarHBondContact O-N 2.87Å |
| 382 | T | 38.8 | Very low | 41.8 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 67% | 0.669 | 63% | 0.633 | S | S | * | * | | | trans | -61.2 | 85.4 | 159.8 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | L378 R379 S384 | L378-T382 PolarHBondContact O-N 2.9Å; R379-T382 WeakPolarHBondContact O-CG2 3.28Å; R379-T382 PolarHBondContact O-N 2.89Å; T382-S384 PolarHBondContact O-N 3.33Å; T382-S384 VanDerWaalsContact O-N 3.15Å |
| 383 | I | 35.4 | Very low | 40.2 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | | | trans | -53.4 | 118.7 | 161.3 | -67.8 | 164 | 0 | 0 | 0 | 104.3 | H381 Q385 F388 | H381-I383 PolarHBondContact O-N 2.87Å; I383-Q385 PolarHBondContact O-N 3.47Å; I383-Q385 VanDerWaalsContact O-N 3.12Å; I383-F388 HydrophobicContact CB-CE2 4.48Å; I383-F388 HydrophobicContact CD1-CE2 3.95Å; I383-F388 HydrophobicContact CD1-CZ 4.39Å; I383-F388 HydrophobicContact CG2-CD2 4.27Å; I383-F388 HydrophobicContact CG2-CE2 3.97Å |
| 384 | S | 33.5 | Very low | 38.9 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | | | trans | -46.4 | 126.6 | 173.5 | 63.5 | 0 | 0 | 0 | 0 | 107.6 | T382 A386 | T382-S384 PolarHBondContact O-N 3.33Å; T382-S384 VanDerWaalsContact O-N 3.15Å; S384-A386 PolarHBondContact O-N 3.23Å |
| 385 | Q | 34.2 | Very low | 37.6 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 92% | 0.921 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -3.1 | -175.3 | -80.4 | -178.8 | -14.5 | 0 | 0 | 115.1 | I383 | I383-Q385 PolarHBondContact O-N 3.47Å; I383-Q385 VanDerWaalsContact O-N 3.12Å |
| 386 | A | 28.3 | Very low | 36.4 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -23.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S384 | S384-A386 PolarHBondContact O-N 3.23Š|
| 387 | T | 27.9 | Very low | 35.5 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.613 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -96.5 | -11 | -166.3 | -13.5 | 0 | 0 | 0 | 0 | 116.1 | A389 | T387-A389 PolarHBondContact O-N 2.85Š|
| 388 | F | 26.9 | Very low | 34.4 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -9.2 | -174.8 | -89.4 | -77.3 | 0 | 0 | 0 | 115.5 | I383 | I383-F388 HydrophobicContact CB-CE2 4.48Å; I383-F388 HydrophobicContact CD1-CE2 3.95Å; I383-F388 HydrophobicContact CD1-CZ 4.39Å; I383-F388 HydrophobicContact CG2-CD2 4.27Å; I383-F388 HydrophobicContact CG2-CE2 3.97Å |
| 389 | A | 27.9 | Very low | 33.3 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -23.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | T387 | T387-A389 PolarHBondContact O-N 2.85Š|
| 390 | A | 27.9 | Very low | 32.4 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -106.2 | -19.9 | -156.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 391 | R | 26.6 | Very low | 31.4 | Very low | 231 Ų | 231 | 133.1 Ų | 133.1 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -132.1 | -28.8 | -169.6 | -97.6 | 177.2 | 162.7 | 143.4 | -3.5 | 119.2 | | |
| 392 | D | 33.2 | Very low | 30.8 | Very low | 118 Ų | 118 | 136 Ų | 136 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | | | trans | -119 | 16.4 | -175.6 | -67.8 | -50 | 0 | 0 | 0 | 115.1 | F394 R395 | D392-F394 PolarHBondContact O-N 3.49Å; D392-R395 PolarHBondContact O-N 3.09Å |
| 393 | G | 27.2 | Very low | 30.6 | Very low | 62 Ų | 62 | 135.7 Ų | 135.7 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -0.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 394 | F | 29.2 | Very low | 30.6 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | -9.6 | -177.6 | -117.2 | -93.5 | 0 | 0 | 0 | 117.3 | D392 | D392-F394 PolarHBondContact O-N 3.49Š|
| 395 | R | 32.2 | Very low | 30.4 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -36.1 | -179.6 | -74.7 | -173.2 | -176.1 | -170.7 | 2.5 | 114.4 | D392 L397 K398 | D392-R395 PolarHBondContact O-N 3.09Å; R395-L397 PolarHBondContact O-N 2.77Å; R395-K398 PolarHBondContact O-N 2.92Å |
| 396 | T | 29 | Very low | 30.5 | Very low | 93 Ų | 93 | 127 Ų | 127 | 57% | 0.571 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77 | -26.4 | -171 | -33.7 | 0 | 0 | 0 | 0 | 112.8 | K398 R399 A400 | T396-K398 PolarHBondContact O-N 3.02Å; T396-R399 PolarHBondContact O-N 3.15Å; T396-R399 VanDerWaalsContact O-N 3.17Å; T396-A400 PolarHBondContact O-N 3.13Å |
| 397 | L | 32.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 62% | 0.618 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.7 | -24.6 | 178.8 | -140.4 | 85.8 | 0 | 0 | 0 | 113.3 | R395 R401 | R395-L397 PolarHBondContact O-N 2.77Å; L397-R401 PolarHBondContact O-N 2.76Å |
| 398 | K | 30.9 | Very low | 31 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 76% | 0.761 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -71 | -31.8 | 175.8 | -86.7 | -172 | 177.2 | -179.7 | 0 | 112.8 | R395 T396 | R395-K398 PolarHBondContact O-N 2.92Å; T396-K398 PolarHBondContact O-N 3.02Å |
| 399 | R | 29.3 | Very low | 31.3 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80.7 | -34.2 | 178.8 | -79.2 | -174.7 | 174.1 | 175.9 | -2 | 112.7 | T396 R401 F402 | T396-R399 PolarHBondContact O-N 3.15Å; T396-R399 VanDerWaalsContact O-N 3.17Å; R399-R401 VanDerWaalsContact C-N 3.3Å; R399-R401 PolarHBondContact O-N 3.12Å; R399-F402 PolarHBondContact O-N 3.05Å |
| 400 | A | 30.4 | Very low | 31.6 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 50% | 0.504 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -64.9 | -32.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T396 F402 V403 A404 | T396-A400 PolarHBondContact O-N 3.13Å; A400-F402 PolarHBondContact O-N 3.12Å; A400-V403 PolarHBondContact O-N 2.84Å; A400-A404 PolarHBondContact O-N 3.05Å |
| 401 | R | 32.7 | Very low | 32 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.9 | -31.1 | 175.9 | -76.4 | -175.7 | -169.6 | -176 | 2.8 | 113.3 | L397 R399 G405 | L397-R401 PolarHBondContact O-N 2.76Å; R399-R401 VanDerWaalsContact C-N 3.3Å; R399-R401 PolarHBondContact O-N 3.12Å; R401-G405 PolarHBondContact O-N 3.42Å |
| 402 | F | 32 | Very low | 32.6 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 75% | 0.75 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.7 | -31.7 | -179.5 | -141.7 | -91.3 | 0 | 0 | 0 | 112 | R399 A400 T406 | R399-F402 PolarHBondContact O-N 3.05Å; A400-F402 PolarHBondContact O-N 3.12Å; F402-T406 PolarHBondContact O-OG1 3.07Å |
| 403 | V | 35.6 | Very low | 32.7 | Very low | 102 Ų | 102 | 142 Ų | 142 | 62% | 0.618 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81.6 | -37.2 | -177.6 | -176 | 0 | 0 | 0 | 0 | 112 | A400 T406 K407 | A400-V403 PolarHBondContact O-N 2.84Å; V403-T406 PolarHBondContact O-N 2.78Å; V403-K407 PolarHBondContact O-N 3.03Å |
| 404 | A | 34.3 | Very low | 33.1 | Very low | 68 Ų | 68 | 150 Ų | 150 | 56% | 0.562 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.3 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A400 T406 R408 | A400-A404 PolarHBondContact O-N 3.05Å; A404-T406 VanDerWaalsContact C-N 3.35Å; A404-T406 PolarHBondContact O-N 3.37Å; A404-R408 PolarHBondContact O-N 3.3Å |
| 405 | G | 30.5 | Very low | 33.2 | Very low | 46 Ų | 46 | 147.7 Ų | 147.7 | 47% | 0.474 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -64.1 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R401 R409 | R401-G405 PolarHBondContact O-N 3.42Å; G405-R409 PolarHBondContact O-N 3.45Å |
| 406 | T | 36.1 | Very low | 33.3 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 47% | 0.472 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -74.4 | -34.7 | -178.8 | -29.9 | 0 | 0 | 0 | 0 | 112.2 | F402 V403 A404 R408 R409 L410 | F402-T406 PolarHBondContact O-OG1 3.07Å; V403-T406 PolarHBondContact O-N 2.78Å; A404-T406 VanDerWaalsContact C-N 3.35Å; A404-T406 PolarHBondContact O-N 3.37Å; T406-R408 PolarHBondContact O-N 3.01Å; T406-R409 PolarHBondContact O-N 3.19Å; T406-L410 PolarHBondContact O-N 3.22Å |
| 407 | K | 34.6 | Very low | 33.5 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -62.6 | -39.1 | 175.6 | -95.8 | -172 | 174.4 | -175 | 0 | 112.7 | V403 R409 L410 L411 | V403-K407 PolarHBondContact O-N 3.03Å; K407-R409 PolarHBondContact O-N 3Å; K407-L410 PolarHBondContact O-N 3.12Å; K407-L411 PolarHBondContact O-N 3.12Å; K407-L411 VanDerWaalsContact O-N 3.16Å |
| 408 | R | 31.4 | Very low | 33.6 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -68.3 | -31.1 | 175.6 | -94 | -172.6 | 177.2 | -178.2 | -0.6 | 113.4 | A404 T406 L412 | A404-R408 PolarHBondContact O-N 3.3Å; T406-R408 PolarHBondContact O-N 3.01Å; R408-L412 PolarHBondContact O-N 3.23Å |
| 409 | R | 33.7 | Very low | 33.8 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -73.8 | -30.6 | 174.1 | -85.5 | -172.1 | -176.9 | -179.7 | 1.3 | 113.4 | G405 T406 K407 | G405-R409 PolarHBondContact O-N 3.45Å; T406-R409 PolarHBondContact O-N 3.19Å; K407-R409 PolarHBondContact O-N 3Å |
| 410 | L | 34 | Very low | 34.1 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 59% | 0.586 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.5 | -37 | 177.2 | -133.4 | 87.5 | 0 | 0 | 0 | 111.8 | T406 K407 L412 R413 | T406-L410 PolarHBondContact O-N 3.22Å; K407-L410 PolarHBondContact O-N 3.12Å; L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 3.3Å; L410-R413 PolarHBondContact O-N 3.24Å |
| 411 | L | 36.5 | Very low | 34.3 | Very low | 138 Ų | 138 | 148 Ų | 148 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.1 | -12.5 | 179.6 | -121.4 | 131.6 | 0 | 0 | 0 | 114.3 | K407 | K407-L411 PolarHBondContact O-N 3.12Å; K407-L411 VanDerWaalsContact O-N 3.16Å |
| 412 | L | 39.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -4.1 | 172 | -91.8 | 154 | 0 | 0 | 0 | 113 | R408 L410 | R408-L412 PolarHBondContact O-N 3.23Å; L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 3.3Å |
| 413 | R | 35.9 | Very low | 34.7 | Very low | 231 Ų | 231 | 143.2 Ų | 143.2 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -14.9 | 173.8 | -89 | -169.9 | 175.3 | -176.6 | -2 | 113.6 | L410 | L410-R413 PolarHBondContact O-N 3.24Š|
| 414 | F | 33.8 | Very low | 34.6 | Very low | 232 Ų | 232 | 146.9 Ų | 146.9 | 100% | 1.018 | 70% | 0.7 | S | S | * | * | | | trans | -91.1 | 0 | 162.4 | -80.9 | -83.9 | 0 | 0 | 0 | 108.1 | | |