| 1 | M | 64.9 | Low | 83.8 | Confident | 211 Ų | 211 | 124.2 Ų | 124.2 | 100% | 1.039 | 63% | 0.625 | S | S | * | * | | | | 0 | -72 | 0 | -63.5 | -69.8 | -141.5 | 0 | 0 | 111.9 | A3 H4 E5 | M1-A3 PolarHBondContact O-N 3.32Å; M1-H4 PolarHBondContact O-N 3.11Å; M1-E5 PolarHBondContact O-N 2.8Å |
| 2 | K | 74.9 | Confident | 84.5 | Confident | 181 Ų | 181 | 125.2 Ų | 125.2 | 79% | 0.787 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.4 | -39.8 | -175.4 | -72.8 | -179.6 | 179 | 175.2 | 0 | 115.4 | H4 E5 T6 | K2-H4 VanDerWaalsContact C-N 3.34Å; K2-H4 PolarHBondContact O-N 3.11Å; K2-E5 PolarHBondContact O-N 2.7Å; K2-T6 PolarHBondContact O-N 3.43Å; K2-T6 VanDerWaalsContact O-N 3.12Å; K2-T6 PolarHBondContact O-OG1 3.32Å |
| 3 | A | 78.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 123 Ų | 123 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.7 | -34.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 T6 L7 | M1-A3 PolarHBondContact O-N 3.32Å; A3-T6 VanDerWaalsContact C-OG1 3.31Å; A3-T6 VanDerWaalsContact CA-OG1 3.32Å; A3-T6 WeakPolarHBondContact CA-OG1 3.32Å; A3-T6 PolarHBondContact O-OG1 3.18Å; A3-L7 PolarHBondContact O-N 3.37Å; A3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | H | 80.6 | Confident | 85.8 | Confident | 134 Ų | 134 | 119.2 Ų | 119.2 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.8 | -39.9 | 178.5 | -171.2 | -83.5 | 0 | 0 | 0 | 111.1 | M1 K2 L7 Q8 | M1-H4 PolarHBondContact O-N 3.11Å; K2-H4 VanDerWaalsContact C-N 3.34Å; K2-H4 PolarHBondContact O-N 3.11Å; H4-L7 PolarHBondContact O-N 3.48Å; H4-Q8 WeakPolarHBondContact O-CB 3.36Å; H4-Q8 PolarHBondContact O-N 3.01Å |
| 5 | E | 84.5 | Confident | 86.3 | Confident | 100 Ų | 100 | 114.5 Ų | 114.5 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.4 | -39.1 | 177 | -162 | -174.9 | 159.4 | 0 | 0 | 111.9 | M1 K2 Q8 R9 | M1-E5 PolarHBondContact O-N 2.8Å; K2-E5 PolarHBondContact O-N 2.7Å; E5-Q8 PolarHBondContact O-N 3.38Å; E5-R9 WeakPolarHBondContact O-CG 3.46Å; E5-R9 PolarHBondContact O-N 3.21Å; E5-R9 IonicContact OE1-CZ 3.53Å; E5-R9 IonicContact OE1-NE 3.57Å; E5-R9 IonicContact OE1-NH2 2.74Å; E5-R9 PolarHBondContact OE1-NH2 3.41Å |
| 6 | T | 85.9 | Confident | 86.8 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 54% | 0.54 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -40.5 | 173.8 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | K2 A3 R9 L10 | K2-T6 PolarHBondContact O-N 3.43Å; K2-T6 VanDerWaalsContact O-N 3.12Å; K2-T6 PolarHBondContact O-OG1 3.32Å; A3-T6 VanDerWaalsContact C-OG1 3.31Å; A3-T6 VanDerWaalsContact CA-OG1 3.32Å; A3-T6 WeakPolarHBondContact CA-OG1 3.32Å; A3-T6 PolarHBondContact O-OG1 3.18Å; T6-R9 PolarHBondContact O-N 3.37Å; T6-L10 PolarHBondContact O-N 3.27Å |
| 7 | L | 88.1 | Confident | 87.3 | Confident | 118 Ų | 118 | 111.2 Ų | 111.2 | 62% | 0.618 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.8 | -43.7 | 177.7 | -156.8 | 93.2 | 0 | 0 | 0 | 110.9 | A3 H4 R9 L10 T11 | A3-L7 PolarHBondContact O-N 3.37Å; A3-L7 VanDerWaalsContact O-N 3.09Å; H4-L7 PolarHBondContact O-N 3.48Å; L7-R9 PolarHBondContact O-N 3.35Å; L7-L10 WeakPolarHBondContact O-CB 3.49Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-T11 WeakPolarHBondContact O-CG2 3.48Å; L7-T11 PolarHBondContact O-N 3.33Å; L7-T11 PolarHBondContact O-OG1 2.74Å |
| 8 | Q | 88.8 | Confident | 87.7 | Confident | 101 Ų | 101 | 108.7 Ų | 108.7 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.6 | -36.4 | 178.7 | -169.6 | 174.7 | -19.4 | 0 | 0 | 112.5 | H4 E5 T11 F12 | H4-Q8 WeakPolarHBondContact O-CB 3.36Å; H4-Q8 PolarHBondContact O-N 3.01Å; E5-Q8 PolarHBondContact O-N 3.38Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.25Å; Q8-T11 PolarHBondContact O-OG1 3.5Å; Q8-F12 HydrophobicContact CG-CD2 4.38Å; Q8-F12 WeakPolarHBondContact O-CD2 3.48Å; Q8-F12 PolarHBondContact O-N 3.21Å; Q8-F12 VanDerWaalsContact O-N 3.15Å |
| 9 | R | 91.6 | Very high | 88 | Confident | 157 Ų | 157 | 108.2 Ų | 108.2 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.6 | -39.7 | 172.2 | -70.8 | 179 | -172.7 | -154.4 | 4.9 | 111.6 | E5 T6 L7 F12 I13 | E5-R9 WeakPolarHBondContact O-CG 3.46Å; E5-R9 PolarHBondContact O-N 3.21Å; E5-R9 IonicContact OE1-CZ 3.53Å; E5-R9 IonicContact OE1-NE 3.57Å; E5-R9 IonicContact OE1-NH2 2.74Å; E5-R9 PolarHBondContact OE1-NH2 3.41Å; T6-R9 PolarHBondContact O-N 3.37Å; L7-R9 PolarHBondContact O-N 3.35Å; R9-F12 PolarHBondContact O-N 3.28Å; R9-I13 WeakPolarHBondContact O-CD1 3.37Å; R9-I13 VanDerWaalsContact O-CG1 3.25Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.4Å |
| 10 | L | 91 | Very high | 88.3 | Confident | 126 Ų | 126 | 108.7 Ų | 108.7 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -42.5 | 178.6 | -135.1 | 83.9 | 0 | 0 | 0 | 111.8 | T6 L7 I13 S14 | T6-L10 PolarHBondContact O-N 3.27Å; L7-L10 WeakPolarHBondContact O-CB 3.49Å; L7-L10 PolarHBondContact O-N 3.32Å; L10-I13 PolarHBondContact O-N 3.36Å; L10-S14 PolarHBondContact O-N 2.8Å; L10-S14 PolarHBondContact O-OG 3.43Å |
| 11 | T | 92.6 | Very high | 88.4 | Confident | 74 Ų | 74 | 106 Ų | 106 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.3 | -36.9 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | L7 Q8 S14 A15 | L7-T11 WeakPolarHBondContact O-CG2 3.48Å; L7-T11 PolarHBondContact O-N 3.33Å; L7-T11 PolarHBondContact O-OG1 2.74Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.25Å; Q8-T11 PolarHBondContact O-OG1 3.5Å; T11-S14 WeakPolarHBondContact CA-OG 3.44Å; T11-S14 PolarHBondContact O-N 3.18Å; T11-S14 PolarHBondContact O-OG 3.19Å; T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å |
| 12 | F | 93 | Very high | 89.7 | Confident | 136 Ų | 136 | 101.9 Ų | 101.9 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 172.3 | -101.3 | -85.6 | 0 | 0 | 0 | 112.2 | Q8 R9 S16 | Q8-F12 HydrophobicContact CG-CD2 4.38Å; Q8-F12 WeakPolarHBondContact O-CD2 3.48Å; Q8-F12 PolarHBondContact O-N 3.21Å; Q8-F12 VanDerWaalsContact O-N 3.15Å; R9-F12 PolarHBondContact O-N 3.28Å; F12-S16 WeakPolarHBondContact O-CB 3.35Å; F12-S16 PolarHBondContact O-N 3.12Å; F12-S16 PolarHBondContact O-OG 3.45Å |
| 13 | I | 93.3 | Very high | 90.4 | Very high | 97 Ų | 97 | 94.9 Ų | 94.9 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 176.9 | -67.6 | 164 | 0 | 0 | 0 | 110.3 | R9 L10 A15 S16 L17 | R9-I13 WeakPolarHBondContact O-CD1 3.37Å; R9-I13 VanDerWaalsContact O-CG1 3.25Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.4Å; L10-I13 PolarHBondContact O-N 3.36Å; I13-A15 PolarHBondContact O-N 3.4Å; I13-S16 PolarHBondContact O-N 3.34Å; I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 HydrophobicContact CG2-CG 4.44Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.01Å |
| 14 | S | 93.4 | Very high | 90.9 | Very high | 70 Ų | 70 | 95.1 Ų | 95.1 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 178.6 | 63 | 0 | 0 | 0 | 0 | 112.5 | L10 T11 L17 S18 | L10-S14 PolarHBondContact O-N 2.8Å; L10-S14 PolarHBondContact O-OG 3.43Å; T11-S14 WeakPolarHBondContact CA-OG 3.44Å; T11-S14 PolarHBondContact O-N 3.18Å; T11-S14 PolarHBondContact O-OG 3.19Å; S14-L17 PolarHBondContact O-N 3.18Å; S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 PolarHBondContact O-OG 3.38Å |
| 15 | A | 93.7 | Very high | 91.3 | Very high | 49 Ų | 49 | 92.6 Ų | 92.6 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T11 I13 S18 V19 | T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å; I13-A15 PolarHBondContact O-N 3.4Å; A15-S18 PolarHBondContact O-N 3.09Å; A15-S18 PolarHBondContact O-OG 3.27Å; A15-V19 VanDerWaalsContact O-CG2 3.29Å; A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.5Å; A15-V19 VanDerWaalsContact O-N 3.12Å |
| 16 | S | 94.2 | Very high | 91.5 | Very high | 63 Ų | 63 | 94 Ų | 94 | 44% | 0.441 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | F12 I13 V19 L20 | F12-S16 WeakPolarHBondContact O-CB 3.35Å; F12-S16 PolarHBondContact O-N 3.12Å; F12-S16 PolarHBondContact O-OG 3.45Å; I13-S16 PolarHBondContact O-N 3.34Å; S16-V19 PolarHBondContact O-N 3.26Å; S16-L20 WeakPolarHBondContact O-CB 3.29Å; S16-L20 WeakPolarHBondContact O-CG 3.33Å; S16-L20 PolarHBondContact O-N 3.47Å |
| 17 | L | 94.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 97.7 Ų | 97.7 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 176.2 | -74 | 168.5 | 0 | 0 | 0 | 112.2 | I13 S14 L20 A21 | I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 HydrophobicContact CG2-CG 4.44Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.01Å; S14-L17 PolarHBondContact O-N 3.18Å; L17-L20 PolarHBondContact O-N 3.02Å; L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.41Å |
| 18 | S | 94.6 | Very high | 91.5 | Very high | 65 Ų | 65 | 94 Ų | 94 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | S14 A15 A21 M22 | S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 PolarHBondContact O-OG 3.38Å; A15-S18 PolarHBondContact O-N 3.09Å; A15-S18 PolarHBondContact O-OG 3.27Å; S18-A21 PolarHBondContact O-N 3.15Å; S18-M22 WeakPolarHBondContact O-CG 3.09Å; S18-M22 PolarHBondContact O-N 2.99Å |
| 19 | V | 94 | Very high | 91.4 | Very high | 100 Ų | 100 | 91.2 Ų | 91.2 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | A15 S16 A21 M22 A23 | A15-V19 VanDerWaalsContact O-CG2 3.29Å; A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.5Å; A15-V19 VanDerWaalsContact O-N 3.12Å; S16-V19 PolarHBondContact O-N 3.26Å; V19-A21 PolarHBondContact O-N 2.95Å; V19-M22 PolarHBondContact O-N 3.32Å; V19-A23 WeakPolarHBondContact O-CB 3.17Å; V19-A23 PolarHBondContact O-N 3.1Å |
| 20 | L | 93.3 | Very high | 91.2 | Very high | 117 Ų | 117 | 87.3 Ų | 87.3 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -40 | 175.6 | -77.4 | 166.1 | 0 | 0 | 0 | 112.3 | S16 L17 A23 C24 | S16-L20 WeakPolarHBondContact O-CB 3.29Å; S16-L20 WeakPolarHBondContact O-CG 3.33Å; S16-L20 PolarHBondContact O-N 3.47Å; L17-L20 PolarHBondContact O-N 3.02Å; L20-A23 PolarHBondContact O-N 2.94Å; L20-C24 WeakPolarHBondContact O-CB 3.41Å; L20-C24 PolarHBondContact O-N 2.91Å |
| 21 | A | 92 | Very high | 90.9 | Very high | 54 Ų | 54 | 84.1 Ų | 84.1 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L17 S18 V19 A23 C24 C25 | L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.41Å; S18-A21 PolarHBondContact O-N 3.15Å; V19-A21 PolarHBondContact O-N 2.95Å; A21-A23 PolarHBondContact O-N 3.37Å; A21-C24 WeakPolarHBondContact O-CB 3.49Å; A21-C24 PolarHBondContact O-N 2.9Å; A21-C25 PolarHBondContact O-N 3.38Å; A21-C25 PolarHBondContact O-SG 3.45Å; A21-C25 VanDerWaalsContact O-SG 3.34Å |
| 22 | M | 91.6 | Very high | 90.5 | Very high | 123 Ų | 123 | 85.3 Ų | 85.3 | 61% | 0.606 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 176.6 | -71.1 | -60 | -66.3 | 0 | 0 | 112.1 | S18 V19 C25 L26 | S18-M22 WeakPolarHBondContact O-CG 3.09Å; S18-M22 PolarHBondContact O-N 2.99Å; V19-M22 PolarHBondContact O-N 3.32Å; M22-C25 PolarHBondContact O-N 2.96Å; M22-L26 WeakPolarHBondContact O-CG 3.5Å; M22-L26 PolarHBondContact O-N 2.98Å |
| 23 | A | 90.1 | Very high | 90.2 | Very high | 34 Ų | 34 | 84 Ų | 84 | 28% | 0.281 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | V19 L20 A21 C25 L26 F27 | V19-A23 WeakPolarHBondContact O-CB 3.17Å; V19-A23 PolarHBondContact O-N 3.1Å; L20-A23 PolarHBondContact O-N 2.94Å; A21-A23 PolarHBondContact O-N 3.37Å; A23-C25 VanDerWaalsContact C-N 3.33Å; A23-C25 PolarHBondContact O-N 2.73Å; A23-L26 PolarHBondContact O-N 2.94Å; A23-L26 VanDerWaalsContact O-N 3.14Å; A23-F27 WeakPolarHBondContact O-CD2 3.12Å; A23-F27 PolarHBondContact O-N 3.36Å |
| 24 | C | 88.8 | Confident | 89.8 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 55% | 0.554 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.6 | -43.7 | 176.8 | -166.2 | 0 | 0 | 0 | 0 | 111.8 | L20 A21 L26 F27 A28 | L20-C24 WeakPolarHBondContact O-CB 3.41Å; L20-C24 PolarHBondContact O-N 2.91Å; A21-C24 WeakPolarHBondContact O-CB 3.49Å; A21-C24 PolarHBondContact O-N 2.9Å; C24-L26 PolarHBondContact O-N 3.46Å; C24-F27 PolarHBondContact O-N 3.46Å; C24-A28 WeakPolarHBondContact O-CB 3.34Å; C24-A28 PolarHBondContact O-N 3.29Å |
| 25 | C | 88.9 | Confident | 89.6 | Confident | 81 Ų | 81 | 90 Ų | 90 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | A21 M22 A23 A29 | A21-C25 PolarHBondContact O-N 3.38Å; A21-C25 PolarHBondContact O-SG 3.45Å; A21-C25 VanDerWaalsContact O-SG 3.34Å; M22-C25 PolarHBondContact O-N 2.96Å; A23-C25 VanDerWaalsContact C-N 3.33Å; A23-C25 PolarHBondContact O-N 2.73Å; C25-A29 WeakPolarHBondContact O-CB 3.41Å; C25-A29 PolarHBondContact O-N 3.41Å |
| 26 | L | 88.9 | Confident | 89.2 | Confident | 128 Ų | 128 | 91.7 Ų | 91.7 | 67% | 0.67 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.8 | -32.3 | 178.8 | -69.5 | 173.8 | 0 | 0 | 0 | 113.1 | M22 A23 C24 P30 | M22-L26 WeakPolarHBondContact O-CG 3.5Å; M22-L26 PolarHBondContact O-N 2.98Å; A23-L26 PolarHBondContact O-N 2.94Å; A23-L26 VanDerWaalsContact O-N 3.14Å; C24-L26 PolarHBondContact O-N 3.46Å; L26-P30 WeakPolarHBondContact O-CD 3.3Å; L26-P30 WeakPolarHBondContact O-CG 3.35Å |
| 27 | F | 87 | Confident | 88.7 | Confident | 167 Ų | 167 | 93.5 Ų | 93.5 | 73% | 0.732 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -85.3 | -34.6 | 177.3 | -73.4 | -68.5 | 0 | 0 | 0 | 113.2 | A23 C24 P30 | A23-F27 WeakPolarHBondContact O-CD2 3.12Å; A23-F27 PolarHBondContact O-N 3.36Å; C24-F27 PolarHBondContact O-N 3.46Å; F27-P30 WeakPolarHBondContact O-CD 3.03Å |
| 28 | A | 87.3 | Confident | 88.5 | Confident | 39 Ų | 39 | 91.3 Ų | 91.3 | 32% | 0.322 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -78.5 | -36.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C24 A31 I32 | C24-A28 WeakPolarHBondContact O-CB 3.34Å; C24-A28 PolarHBondContact O-N 3.29Å; A28-A31 PolarHBondContact O-N 3.34Å; A28-I32 HydrophobicContact CB-CD1 4.33Å; A28-I32 VanDerWaalsContact O-CG1 3.3Å; A28-I32 WeakPolarHBondContact O-CG1 3.33Å; A28-I32 PolarHBondContact O-N 3.49Å |
| 29 | A | 85 | Confident | 88.2 | Confident | 44 Ų | 44 | 93.4 Ų | 93.4 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -54.3 | -51.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C25 A31 I32 I33 | C25-A29 WeakPolarHBondContact O-CB 3.41Å; C25-A29 PolarHBondContact O-N 3.41Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.43Å; A29-I32 PolarHBondContact O-N 3Å; A29-I33 WeakPolarHBondContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CD1 3.43Å; A29-I33 WeakPolarHBondContact O-CG1 3.28Å; A29-I33 PolarHBondContact O-N 2.95Å |
| 30 | P | 87.8 | Confident | 87.8 | Confident | 75 Ų | 75 | 95.5 Ų | 95.5 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -34.7 | -179.2 | 24.3 | -33.5 | 0 | 0 | 0 | 112.8 | L26 F27 I33 W34 | L26-P30 WeakPolarHBondContact O-CD 3.3Å; L26-P30 WeakPolarHBondContact O-CG 3.35Å; F27-P30 WeakPolarHBondContact O-CD 3.03Å; P30-I33 PolarHBondContact O-N 3.48Å; P30-W34 WeakPolarHBondContact O-CB 3.18Å; P30-W34 PolarHBondContact O-N 3.43Å |
| 31 | A | 85.2 | Confident | 87.5 | Confident | 58 Ų | 58 | 94.4 Ų | 94.4 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | A28 A29 W34 E35 | A28-A31 PolarHBondContact O-N 3.34Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.43Å; A31-W34 PolarHBondContact O-N 2.93Å; A31-E35 PolarHBondContact O-N 3.47Å; A31-E35 VanDerWaalsContact O-N 3.07Å |
| 32 | I | 84.7 | Confident | 87.4 | Confident | 99 Ų | 99 | 96.1 Ų | 96.1 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 176.6 | -64.9 | 165.6 | 0 | 0 | 0 | 110.6 | A28 A29 W34 E35 I36 | A28-I32 HydrophobicContact CB-CD1 4.33Å; A28-I32 VanDerWaalsContact O-CG1 3.3Å; A28-I32 WeakPolarHBondContact O-CG1 3.33Å; A28-I32 PolarHBondContact O-N 3.49Å; A29-I32 PolarHBondContact O-N 3Å; I32-W34 VanDerWaalsContact C-N 3.3Å; I32-W34 PolarHBondContact O-N 3.23Å; I32-E35 PolarHBondContact O-N 3.29Å; I32-I36 HydrophobicContact CG2-CD1 3.8Å; I32-I36 HydrophobicContact CG2-CG1 4.43Å; I32-I36 VanDerWaalsContact O-CG1 3.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.46Å |
| 33 | I | 85.5 | Confident | 87.2 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -41.2 | 177 | -68.8 | 164.8 | 0 | 0 | 0 | 110.5 | A29 P30 I36 Q37 | A29-I33 WeakPolarHBondContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CD1 3.43Å; A29-I33 WeakPolarHBondContact O-CG1 3.28Å; A29-I33 PolarHBondContact O-N 2.95Å; P30-I33 PolarHBondContact O-N 3.48Å; I33-I36 PolarHBondContact O-N 3.33Å; I33-Q37 WeakPolarHBondContact O-CB 3.44Å; I33-Q37 PolarHBondContact O-N 3.45Å |
| 34 | W | 84.8 | Confident | 87 | Confident | 183 Ų | 183 | 97 Ų | 97 | 69% | 0.693 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 178.3 | -171.6 | 70.7 | 0 | 0 | 0 | 112.8 | P30 A31 I32 Q37 S38 | P30-W34 WeakPolarHBondContact O-CB 3.18Å; P30-W34 PolarHBondContact O-N 3.43Å; A31-W34 PolarHBondContact O-N 2.93Å; I32-W34 VanDerWaalsContact C-N 3.3Å; I32-W34 PolarHBondContact O-N 3.23Å; W34-Q37 PolarHBondContact O-N 3.12Å; W34-S38 PolarHBondContact O-N 2.91Å |
| 35 | E | 88.6 | Confident | 86.9 | Confident | 109 Ų | 109 | 99.6 Ų | 99.6 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 173.2 | -80.1 | -75.7 | 177.5 | 0 | 0 | 111.9 | A31 I32 Q37 S38 I39 | A31-E35 PolarHBondContact O-N 3.47Å; A31-E35 VanDerWaalsContact O-N 3.07Å; I32-E35 PolarHBondContact O-N 3.29Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 3.06Å; E35-S38 PolarHBondContact O-N 3.26Å; E35-I39 VanDerWaalsContact O-CG1 3.3Å; E35-I39 WeakPolarHBondContact O-CG1 3.43Å; E35-I39 PolarHBondContact O-N 3.46Å |
| 36 | I | 85.6 | Confident | 86.8 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.4 | -69.1 | 168.5 | 0 | 0 | 0 | 110.5 | I32 I33 S38 I39 W40 | I32-I36 HydrophobicContact CG2-CD1 3.8Å; I32-I36 HydrophobicContact CG2-CG1 4.43Å; I32-I36 VanDerWaalsContact O-CG1 3.28Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.46Å; I33-I36 PolarHBondContact O-N 3.33Å; I36-S38 PolarHBondContact O-N 2.9Å; I36-I39 PolarHBondContact O-N 3.14Å; I36-W40 VanDerWaalsContact O-CD1 3.24Å; I36-W40 PolarHBondContact O-N 2.93Å |
| 37 | Q | 85.1 | Confident | 86.6 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.4 | -168.9 | 64.2 | 28.7 | 0 | 0 | 111.6 | I33 W34 E35 I39 W40 D41 | I33-Q37 WeakPolarHBondContact O-CB 3.44Å; I33-Q37 PolarHBondContact O-N 3.45Å; W34-Q37 PolarHBondContact O-N 3.12Å; E35-Q37 VanDerWaalsContact C-N 3.33Å; E35-Q37 PolarHBondContact O-N 3.06Å; Q37-I39 VanDerWaalsContact C-N 3.29Å; Q37-I39 PolarHBondContact O-N 3.4Å; Q37-W40 PolarHBondContact O-N 3.5Å; Q37-D41 PolarHBondContact NE2-OD1 2.95Å; Q37-D41 PolarHBondContact O-N 2.83Å |
| 38 | S | 90.1 | Very high | 86.4 | Confident | 63 Ų | 63 | 91.2 Ų | 91.2 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -36.3 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | W34 E35 I36 D42 | W34-S38 PolarHBondContact O-N 2.91Å; E35-S38 PolarHBondContact O-N 3.26Å; I36-S38 PolarHBondContact O-N 2.9Å; S38-D42 PolarHBondContact O-N 2.98Å |
| 39 | I | 88.5 | Confident | 86.2 | Confident | 109 Ų | 109 | 94.2 Ų | 94.2 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69 | -40.8 | 176.2 | -67.2 | 165.2 | 0 | 0 | 0 | 110.6 | E35 I36 Q37 D42 L43 | E35-I39 VanDerWaalsContact O-CG1 3.3Å; E35-I39 WeakPolarHBondContact O-CG1 3.43Å; E35-I39 PolarHBondContact O-N 3.46Å; I36-I39 PolarHBondContact O-N 3.14Å; Q37-I39 VanDerWaalsContact C-N 3.29Å; Q37-I39 PolarHBondContact O-N 3.4Å; I39-D42 PolarHBondContact O-N 3.34Å; I39-L43 WeakPolarHBondContact O-CB 3.46Å; I39-L43 PolarHBondContact O-N 3.46Å |
| 40 | W | 85.3 | Confident | 85.8 | Confident | 144 Ų | 144 | 98 Ų | 98 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.9 | -85.7 | 105.6 | 0 | 0 | 0 | 112.2 | I36 Q37 D42 L43 D44 | I36-W40 VanDerWaalsContact O-CD1 3.24Å; I36-W40 PolarHBondContact O-N 2.93Å; Q37-W40 PolarHBondContact O-N 3.5Å; W40-D42 VanDerWaalsContact C-N 3.32Å; W40-D42 PolarHBondContact O-N 3.34Å; W40-L43 HydrophobicContact CE3-CD2 4.15Å; W40-L43 HydrophobicContact CZ3-CD2 4.06Å; W40-L43 PolarHBondContact O-N 3.39Å; W40-D44 PolarHBondContact O-N 3.49Å |
| 41 | D | 86.5 | Confident | 85.6 | Confident | 94 Ų | 94 | 100.8 Ų | 100.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 178.3 | -68 | -16.4 | 0 | 0 | 0 | 111.8 | Q37 K45 | Q37-D41 PolarHBondContact NE2-OD1 2.95Å; Q37-D41 PolarHBondContact O-N 2.83Å; D41-K45 PolarHBondContact O-N 3.41Å |
| 42 | D | 89.9 | Confident | 85.4 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 175.2 | -167.6 | 59.3 | 0 | 0 | 0 | 112.1 | S38 I39 W40 D44 K45 Q46 | S38-D42 PolarHBondContact O-N 2.98Å; I39-D42 PolarHBondContact O-N 3.34Å; W40-D42 VanDerWaalsContact C-N 3.32Å; W40-D42 PolarHBondContact O-N 3.34Å; D42-D44 PolarHBondContact O-N 3.37Å; D42-K45 WeakPolarHBondContact O-CB 3.31Å; D42-K45 PolarHBondContact O-N 3.49Å; D42-Q46 VanDerWaalsContact O-CG 3.31Å; D42-Q46 WeakPolarHBondContact O-CG 3.3Å; D42-Q46 PolarHBondContact O-N 3.27Å |
| 43 | L | 88.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 99.7 Ų | 99.7 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.6 | -176.2 | 64.3 | 0 | 0 | 0 | 111.7 | I39 W40 K45 Q46 I47 | I39-L43 WeakPolarHBondContact O-CB 3.46Å; I39-L43 PolarHBondContact O-N 3.46Å; W40-L43 HydrophobicContact CE3-CD2 4.15Å; W40-L43 HydrophobicContact CZ3-CD2 4.06Å; W40-L43 PolarHBondContact O-N 3.39Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.25Å; L43-Q46 WeakPolarHBondContact O-CB 3.47Å; L43-Q46 PolarHBondContact O-N 3Å; L43-I47 HydrophobicContact CD1-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.03Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.01Å |
| 44 | D | 85 | Confident | 85 | Confident | 96 Ų | 96 | 97 Ų | 97 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.5 | -86.2 | -24.1 | 0 | 0 | 0 | 111.9 | W40 D42 I47 G48 | W40-D44 PolarHBondContact O-N 3.49Å; D42-D44 PolarHBondContact O-N 3.37Å; D44-I47 PolarHBondContact O-N 3.01Å; D44-G48 PolarHBondContact O-N 3.43Å |
| 45 | K | 87.6 | Confident | 84.9 | Confident | 136 Ų | 136 | 90.1 Ų | 90.1 | 59% | 0.591 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 174.2 | -170.3 | 179.7 | -179.3 | -177.8 | 0 | 111.8 | D41 D42 L43 G48 Q49 | D41-K45 PolarHBondContact O-N 3.41Å; D42-K45 WeakPolarHBondContact O-CB 3.31Å; D42-K45 PolarHBondContact O-N 3.49Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.25Å; K45-G48 PolarHBondContact O-N 3.01Å; K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.32Å |
| 46 | Q | 86.3 | Confident | 84.6 | Confident | 94 Ų | 94 | 91.3 Ų | 91.3 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.3 | -69.1 | -83.3 | -12.2 | 0 | 0 | 111.4 | D42 L43 G48 Q49 Q50 | D42-Q46 VanDerWaalsContact O-CG 3.31Å; D42-Q46 WeakPolarHBondContact O-CG 3.3Å; D42-Q46 PolarHBondContact O-N 3.27Å; L43-Q46 WeakPolarHBondContact O-CB 3.47Å; L43-Q46 PolarHBondContact O-N 3Å; Q46-G48 VanDerWaalsContact C-N 3.32Å; Q46-G48 PolarHBondContact O-N 3.37Å; Q46-Q49 PolarHBondContact O-N 2.94Å; Q46-Q50 WeakPolarHBondContact O-CG 3.37Å; Q46-Q50 PolarHBondContact O-N 2.96Å |
| 47 | I | 83.5 | Confident | 84.6 | Confident | 68 Ų | 68 | 92 Ų | 92 | 35% | 0.349 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 176 | -68.3 | 167 | 0 | 0 | 0 | 110.7 | L43 D44 Q50 K51 | L43-I47 HydrophobicContact CD1-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.03Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.01Å; D44-I47 PolarHBondContact O-N 3.01Å; I47-Q50 PolarHBondContact O-N 3.38Å; I47-K51 HydrophobicContact CG2-CD 4.23Å; I47-K51 WeakPolarHBondContact O-CB 3.44Å; I47-K51 WeakPolarHBondContact O-CG 3.34Å; I47-K51 PolarHBondContact O-N 3.07Å |
| 48 | G | 82.9 | Confident | 84.2 | Confident | 38 Ų | 38 | 94.5 Ų | 94.5 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D44 K45 Q46 K51 A52 | D44-G48 PolarHBondContact O-N 3.43Å; K45-G48 PolarHBondContact O-N 3.01Å; Q46-G48 VanDerWaalsContact C-N 3.32Å; Q46-G48 PolarHBondContact O-N 3.37Å; G48-K51 PolarHBondContact O-N 3.44Å; G48-A52 PolarHBondContact O-N 3.21Å |
| 49 | Q | 84.6 | Confident | 83.8 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.9 | -72.7 | -175.9 | -25.6 | 0 | 0 | 112.2 | K45 Q46 K51 A52 I53 | K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.32Å; Q46-Q49 PolarHBondContact O-N 2.94Å; Q49-K51 VanDerWaalsContact C-N 3.34Å; Q49-K51 PolarHBondContact O-N 3.39Å; Q49-A52 PolarHBondContact O-N 3.03Å; Q49-I53 WeakPolarHBondContact O-CG1 3.5Å; Q49-I53 PolarHBondContact O-N 3.44Å |
| 50 | Q | 76.2 | Confident | 83.7 | Confident | 123 Ų | 123 | 94.6 Ų | 94.6 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -39.5 | 176.1 | -73 | -65.9 | -38.3 | 0 | 0 | 112.2 | Q46 I47 S54 | Q46-Q50 WeakPolarHBondContact O-CG 3.37Å; Q46-Q50 PolarHBondContact O-N 2.96Å; I47-Q50 PolarHBondContact O-N 3.38Å; Q50-S54 VanDerWaalsContact O-CB 3.31Å; Q50-S54 WeakPolarHBondContact O-CB 3.31Å; Q50-S54 PolarHBondContact O-N 3.37Å |
| 51 | K | 82.3 | Confident | 83.8 | Confident | 134 Ų | 134 | 90.2 Ų | 90.2 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 174.2 | -75.4 | 176.6 | -177.9 | 173.7 | 0 | 112.1 | I47 G48 Q49 S54 G55 | I47-K51 HydrophobicContact CG2-CD 4.23Å; I47-K51 WeakPolarHBondContact O-CB 3.44Å; I47-K51 WeakPolarHBondContact O-CG 3.34Å; I47-K51 PolarHBondContact O-N 3.07Å; G48-K51 PolarHBondContact O-N 3.44Å; Q49-K51 VanDerWaalsContact C-N 3.34Å; Q49-K51 PolarHBondContact O-N 3.39Å; K51-S54 PolarHBondContact O-N 3.39Å; K51-G55 PolarHBondContact O-N 3.46Å |
| 52 | A | 81.5 | Confident | 83.8 | Confident | 54 Ų | 54 | 90.8 Ų | 90.8 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G48 Q49 S54 G55 E56 | G48-A52 PolarHBondContact O-N 3.21Å; Q49-A52 PolarHBondContact O-N 3.03Å; A52-S54 VanDerWaalsContact C-N 3.31Å; A52-S54 PolarHBondContact O-N 2.93Å; A52-G55 WeakPolarHBondContact O-CA 3.5Å; A52-G55 PolarHBondContact O-N 3.48Å; A52-G55 VanDerWaalsContact O-N 3.09Å; A52-E56 WeakPolarHBondContact O-CG 3.24Å; A52-E56 PolarHBondContact O-N 2.91Å |
| 53 | I | 83.1 | Confident | 83.7 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 41% | 0.41 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.2 | -65.6 | 165.1 | 0 | 0 | 0 | 110.6 | Q49 G55 E56 I57 | Q49-I53 WeakPolarHBondContact O-CG1 3.5Å; Q49-I53 PolarHBondContact O-N 3.44Å; I53-G55 VanDerWaalsContact C-N 3.35Å; I53-G55 PolarHBondContact O-N 3.33Å; I53-E56 PolarHBondContact O-N 3.22Å; I53-I57 HydrophobicContact CG2-CD1 3.75Å; I53-I57 HydrophobicContact CG2-CG1 4.39Å; I53-I57 VanDerWaalsContact O-CG1 3.24Å; I53-I57 WeakPolarHBondContact O-CG1 3.47Å; I53-I57 PolarHBondContact O-N 3.3Å |
| 54 | S | 79.3 | Confident | 83.6 | Confident | 53 Ų | 53 | 92.6 Ų | 92.6 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | Q50 K51 A52 E56 I57 W58 | Q50-S54 VanDerWaalsContact O-CB 3.31Å; Q50-S54 WeakPolarHBondContact O-CB 3.31Å; Q50-S54 PolarHBondContact O-N 3.37Å; K51-S54 PolarHBondContact O-N 3.39Å; A52-S54 VanDerWaalsContact C-N 3.31Å; A52-S54 PolarHBondContact O-N 2.93Å; S54-E56 PolarHBondContact O-N 3.49Å; S54-I57 PolarHBondContact O-N 3Å; S54-W58 WeakPolarHBondContact O-CB 3.48Å; S54-W58 PolarHBondContact O-N 3.4Å |
| 55 | G | 82.4 | Confident | 83.8 | Confident | 39 Ų | 39 | 95.6 Ų | 95.6 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K51 A52 I53 W58 S59 | K51-G55 PolarHBondContact O-N 3.46Å; A52-G55 WeakPolarHBondContact O-CA 3.5Å; A52-G55 PolarHBondContact O-N 3.48Å; A52-G55 VanDerWaalsContact O-N 3.09Å; I53-G55 VanDerWaalsContact C-N 3.35Å; I53-G55 PolarHBondContact O-N 3.33Å; G55-W58 PolarHBondContact O-N 3.2Å; G55-S59 PolarHBondContact O-N 3.24Å |
| 56 | E | 83.3 | Confident | 83.8 | Confident | 134 Ų | 134 | 91.4 Ų | 91.4 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.6 | -41.4 | 175.1 | -71.3 | 178.3 | 175.1 | 0 | 0 | 112.4 | A52 I53 S54 W58 S59 E60 | A52-E56 WeakPolarHBondContact O-CG 3.24Å; A52-E56 PolarHBondContact O-N 2.91Å; I53-E56 PolarHBondContact O-N 3.22Å; S54-E56 PolarHBondContact O-N 3.49Å; E56-W58 VanDerWaalsContact C-N 3.33Å; E56-W58 PolarHBondContact O-N 3Å; E56-S59 PolarHBondContact O-N 2.94Å; E56-S59 PolarHBondContact O-OG 2.9Å; E56-E60 WeakPolarHBondContact O-CB 3.46Å; E56-E60 PolarHBondContact O-N 3.44Å; E56-E60 VanDerWaalsContact O-N 3.07Å |
| 57 | I | 84.4 | Confident | 83.9 | Confident | 100 Ų | 100 | 90.4 Ų | 90.4 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175 | -67.7 | 165.7 | 0 | 0 | 0 | 110.3 | I53 S54 E60 V61 | I53-I57 HydrophobicContact CG2-CD1 3.75Å; I53-I57 HydrophobicContact CG2-CG1 4.39Å; I53-I57 VanDerWaalsContact O-CG1 3.24Å; I53-I57 WeakPolarHBondContact O-CG1 3.47Å; I53-I57 PolarHBondContact O-N 3.3Å; S54-I57 PolarHBondContact O-N 3Å; I57-E60 PolarHBondContact O-N 3.22Å; I57-V61 HydrophobicContact CG2-CG2 4.34Å; I57-V61 WeakPolarHBondContact O-CB 3.48Å; I57-V61 VanDerWaalsContact O-CG2 3.23Å; I57-V61 WeakPolarHBondContact O-CG2 3.42Å; I57-V61 PolarHBondContact O-N 3.25Å |
| 58 | W | 77.3 | Confident | 84.1 | Confident | 152 Ų | 152 | 94.7 Ų | 94.7 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.6 | -38.4 | 178.7 | -82.1 | 109.9 | 0 | 0 | 0 | 112.6 | S54 G55 E56 V61 L62 | S54-W58 WeakPolarHBondContact O-CB 3.48Å; S54-W58 PolarHBondContact O-N 3.4Å; G55-W58 PolarHBondContact O-N 3.2Å; E56-W58 VanDerWaalsContact C-N 3.33Å; E56-W58 PolarHBondContact O-N 3Å; W58-V61 PolarHBondContact O-N 3.4Å; W58-L62 WeakPolarHBondContact O-CB 3.5Å; W58-L62 VanDerWaalsContact O-CG 3.3Å; W58-L62 WeakPolarHBondContact O-CG 3.23Å; W58-L62 PolarHBondContact O-N 3.37Å |
| 59 | S | 80.3 | Confident | 84.1 | Confident | 70 Ų | 70 | 95.5 Ų | 95.5 | 49% | 0.49 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.6 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | G55 E56 L62 H63 | G55-S59 PolarHBondContact O-N 3.24Å; E56-S59 PolarHBondContact O-N 2.94Å; E56-S59 PolarHBondContact O-OG 2.9Å; S59-L62 PolarHBondContact O-N 3.44Å; S59-H63 WeakPolarHBondContact O-CB 3.44Å; S59-H63 PolarHBondContact O-N 3.26Å |
| 60 | E | 88 | Confident | 84.2 | Confident | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.1 | -168.7 | 59.5 | -154.3 | 0 | 0 | 111.9 | E56 I57 L62 H63 L64 | E56-E60 WeakPolarHBondContact O-CB 3.46Å; E56-E60 PolarHBondContact O-N 3.44Å; E56-E60 VanDerWaalsContact O-N 3.07Å; I57-E60 PolarHBondContact O-N 3.22Å; E60-L62 PolarHBondContact O-N 3.5Å; E60-H63 WeakPolarHBondContact O-CB 3.41Å; E60-H63 PolarHBondContact O-N 3.19Å; E60-L64 HydrophobicContact CG-CD1 4.28Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.43Å; E60-L64 PolarHBondContact O-N 3.45Å |
| 61 | V | 86.7 | Confident | 84.6 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 32% | 0.315 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | I57 W58 L64 R65 | I57-V61 HydrophobicContact CG2-CG2 4.34Å; I57-V61 WeakPolarHBondContact O-CB 3.48Å; I57-V61 VanDerWaalsContact O-CG2 3.23Å; I57-V61 WeakPolarHBondContact O-CG2 3.42Å; I57-V61 PolarHBondContact O-N 3.25Å; W58-V61 PolarHBondContact O-N 3.4Å; V61-L64 PolarHBondContact O-N 2.91Å; V61-R65 WeakPolarHBondContact O-CB 3.46Å; V61-R65 WeakPolarHBondContact O-CG 3.48Å; V61-R65 PolarHBondContact O-N 3.07Å |
| 62 | L | 86.1 | Confident | 84.4 | Confident | 106 Ų | 106 | 99.9 Ų | 99.9 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 174.9 | -74.6 | 171.6 | 0 | 0 | 0 | 111.4 | W58 S59 E60 R65 S66 | W58-L62 WeakPolarHBondContact O-CB 3.5Å; W58-L62 VanDerWaalsContact O-CG 3.3Å; W58-L62 WeakPolarHBondContact O-CG 3.23Å; W58-L62 PolarHBondContact O-N 3.37Å; S59-L62 PolarHBondContact O-N 3.44Å; E60-L62 PolarHBondContact O-N 3.5Å; L62-R65 PolarHBondContact O-N 3.39Å; L62-S66 PolarHBondContact O-N 3.43Å |
| 63 | H | 87.7 | Confident | 84.2 | Confident | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 174.9 | -174.2 | -102.1 | 0 | 0 | 0 | 110.9 | S59 E60 R65 S66 V67 | S59-H63 WeakPolarHBondContact O-CB 3.44Å; S59-H63 PolarHBondContact O-N 3.26Å; E60-H63 WeakPolarHBondContact O-CB 3.41Å; E60-H63 PolarHBondContact O-N 3.19Å; H63-R65 VanDerWaalsContact C-N 3.34Å; H63-R65 PolarHBondContact O-N 3.36Å; H63-S66 WeakPolarHBondContact O-CB 3.43Å; H63-S66 PolarHBondContact O-N 2.98Å; H63-S66 PolarHBondContact O-OG 3.48Å; H63-V67 WeakPolarHBondContact O-CG2 3.4Å; H63-V67 PolarHBondContact O-N 2.95Å |
| 64 | L | 87.4 | Confident | 83.9 | Confident | 102 Ų | 102 | 104.5 Ų | 104.5 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 175.8 | -77.1 | 162 | 0 | 0 | 0 | 112.8 | E60 V61 V67 R68 | E60-L64 HydrophobicContact CG-CD1 4.28Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.43Å; E60-L64 PolarHBondContact O-N 3.45Å; V61-L64 PolarHBondContact O-N 2.91Å; L64-V67 PolarHBondContact O-N 3.21Å; L64-R68 WeakPolarHBondContact O-CB 3.47Å; L64-R68 PolarHBondContact O-N 2.67Å |
| 65 | R | 89 | Confident | 83.7 | Confident | 158 Ų | 158 | 106.1 Ų | 106.1 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 173.9 | -79 | -179.8 | 173.8 | -171.1 | -1 | 111.8 | V61 L62 H63 R68 A69 | V61-R65 WeakPolarHBondContact O-CB 3.46Å; V61-R65 WeakPolarHBondContact O-CG 3.48Å; V61-R65 PolarHBondContact O-N 3.07Å; L62-R65 PolarHBondContact O-N 3.39Å; H63-R65 VanDerWaalsContact C-N 3.34Å; H63-R65 PolarHBondContact O-N 3.36Å; R65-R68 PolarHBondContact O-N 3.32Å; R65-A69 WeakPolarHBondContact O-CB 3.15Å; R65-A69 PolarHBondContact O-N 2.94Å |
| 66 | S | 86.6 | Confident | 83.2 | Confident | 48 Ų | 48 | 107.5 Ų | 107.5 | 34% | 0.336 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.9 | 83.7 | 0 | 0 | 0 | 0 | 112.4 | L62 H63 A69 K70 | L62-S66 PolarHBondContact O-N 3.43Å; H63-S66 WeakPolarHBondContact O-CB 3.43Å; H63-S66 PolarHBondContact O-N 2.98Å; H63-S66 PolarHBondContact O-OG 3.48Å; S66-A69 PolarHBondContact O-N 2.95Å; S66-K70 WeakPolarHBondContact O-CG 3.38Å; S66-K70 PolarHBondContact O-N 3.29Å |
| 67 | V | 89 | Confident | 82.5 | Confident | 73 Ų | 73 | 104.4 Ų | 104.4 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | H63 L64 A69 K70 R71 | H63-V67 WeakPolarHBondContact O-CG2 3.4Å; H63-V67 PolarHBondContact O-N 2.95Å; L64-V67 PolarHBondContact O-N 3.21Å; V67-A69 PolarHBondContact O-N 3.28Å; V67-K70 PolarHBondContact O-N 3.45Å; V67-R71 PolarHBondContact O-N 3.22Å |
| 68 | R | 87.1 | Confident | 81.4 | Confident | 158 Ų | 158 | 101.5 Ų | 101.5 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 177.3 | -165 | 178.8 | -179 | 157.3 | -2.1 | 112 | L64 R65 R71 Y72 | L64-R68 WeakPolarHBondContact O-CB 3.47Å; L64-R68 PolarHBondContact O-N 2.67Å; R65-R68 PolarHBondContact O-N 3.32Å; R68-R71 PolarHBondContact O-N 2.97Å; R68-Y72 HydrophobicContact CG-CD2 4Å; R68-Y72 HydrophobicContact CG-CE2 3.5Å; R68-Y72 PolarHBondContact NE-OH 2.92Å; R68-Y72 VanDerWaalsContact NE-OH 3.1Å; R68-Y72 PolarHBondContact NH2-OH 3.4Å; R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 PolarHBondContact O-N 2.93Å |
| 69 | A | 83.8 | Confident | 80.5 | Confident | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R65 S66 V67 R71 Y72 A73 | R65-A69 WeakPolarHBondContact O-CB 3.15Å; R65-A69 PolarHBondContact O-N 2.94Å; S66-A69 PolarHBondContact O-N 2.95Å; V67-A69 PolarHBondContact O-N 3.28Å; A69-R71 PolarHBondContact O-N 3.45Å; A69-Y72 PolarHBondContact O-N 3.09Å; A69-A73 PolarHBondContact O-N 3.39Å |
| 70 | K | 86.5 | Confident | 79.4 | Confident | 154 Ų | 154 | 98.5 Ų | 98.5 | 67% | 0.67 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 174.1 | -73.5 | 176.4 | -179.3 | 178.1 | 0 | 112.2 | S66 V67 A73 Y74 | S66-K70 WeakPolarHBondContact O-CG 3.38Å; S66-K70 PolarHBondContact O-N 3.29Å; V67-K70 PolarHBondContact O-N 3.45Å; K70-A73 PolarHBondContact O-N 2.96Å; K70-Y74 PolarHBondContact O-N 3.44Å |
| 71 | R | 83.9 | Confident | 77.7 | Confident | 173 Ų | 173 | 99.7 Ų | 99.7 | 65% | 0.653 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | 176.4 | -164.5 | -177.2 | -162.3 | 157.9 | 11.5 | 112 | V67 R68 A69 A73 Y74 E75 | V67-R71 PolarHBondContact O-N 3.22Å; R68-R71 PolarHBondContact O-N 2.97Å; A69-R71 PolarHBondContact O-N 3.45Å; R71-A73 VanDerWaalsContact C-N 3.32Å; R71-A73 PolarHBondContact O-N 2.85Å; R71-Y74 PolarHBondContact O-N 3.32Å; R71-E75 IonicContact NE-OE1 3.45Å; R71-E75 PolarHBondContact NE-OE1 3.49Å; R71-E75 PolarHBondContact O-N 3.37Å |
| 72 | Y | 78.8 | Confident | 76.1 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 176.1 | -72.5 | -54.2 | 0 | 0 | 0 | 112.8 | R68 A69 S76 | R68-Y72 HydrophobicContact CG-CD2 4Å; R68-Y72 HydrophobicContact CG-CE2 3.5Å; R68-Y72 PolarHBondContact NE-OH 2.92Å; R68-Y72 VanDerWaalsContact NE-OH 3.1Å; R68-Y72 PolarHBondContact NH2-OH 3.4Å; R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 PolarHBondContact O-N 2.93Å; A69-Y72 PolarHBondContact O-N 3.09Å; Y72-S76 WeakPolarHBondContact O-CB 3.44Å; Y72-S76 PolarHBondContact O-N 3.47Å; Y72-S76 PolarHBondContact O-OG 2.91Å |
| 73 | A | 78.2 | Confident | 74.5 | Confident | 52 Ų | 52 | 104.9 Ų | 104.9 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A69 K70 R71 S76 S77 | A69-A73 PolarHBondContact O-N 3.39Å; K70-A73 PolarHBondContact O-N 2.96Å; R71-A73 VanDerWaalsContact C-N 3.32Å; R71-A73 PolarHBondContact O-N 2.85Å; A73-S76 WeakPolarHBondContact CA-OG 3.37Å; A73-S76 PolarHBondContact O-OG 3.26Å; A73-S77 WeakPolarHBondContact O-CB 3.46Å; A73-S77 PolarHBondContact O-N 2.9Å; A73-S77 PolarHBondContact O-OG 2.92Å |
| 74 | Y | 76.4 | Confident | 72.8 | Confident | 178 Ų | 178 | 106.4 Ų | 106.4 | 70% | 0.698 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.6 | -45.3 | 176.5 | -171.1 | -97.6 | 0 | 0 | 0 | 112.5 | K70 R71 S76 S77 A78 | K70-Y74 PolarHBondContact O-N 3.44Å; R71-Y74 PolarHBondContact O-N 3.32Å; Y74-S76 VanDerWaalsContact C-N 3.34Å; Y74-S76 PolarHBondContact O-N 2.87Å; Y74-S77 WeakPolarHBondContact O-CB 3.5Å; Y74-S77 PolarHBondContact O-N 3.44Å; Y74-A78 WeakPolarHBondContact O-CB 3.38Å; Y74-A78 PolarHBondContact O-N 3.43Å |
| 75 | E | 75.6 | Confident | 71 | Confident | 88 Ų | 88 | 106.5 Ų | 106.5 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 179.2 | -75 | 171.9 | -174.3 | 0 | 0 | 112.5 | R71 S79 | R71-E75 IonicContact NE-OE1 3.45Å; R71-E75 PolarHBondContact NE-OE1 3.49Å; R71-E75 PolarHBondContact O-N 3.37Å; E75-S79 WeakPolarHBondContact O-CB 3.4Å; E75-S79 PolarHBondContact O-N 3.4Å; E75-S79 VanDerWaalsContact O-N 3.09Å; E75-S79 PolarHBondContact O-OG 3.07Å |
| 76 | S | 72.1 | Confident | 69.1 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 173.3 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | Y72 A73 Y74 V80 | Y72-S76 WeakPolarHBondContact O-CB 3.44Å; Y72-S76 PolarHBondContact O-N 3.47Å; Y72-S76 PolarHBondContact O-OG 2.91Å; A73-S76 WeakPolarHBondContact CA-OG 3.37Å; A73-S76 PolarHBondContact O-OG 3.26Å; Y74-S76 VanDerWaalsContact C-N 3.34Å; Y74-S76 PolarHBondContact O-N 2.87Å; S76-V80 WeakPolarHBondContact O-CG2 3.46Å; S76-V80 PolarHBondContact O-N 2.88Å |
| 77 | S | 68.3 | Low | 67.3 | Low | 69 Ų | 69 | 106.1 Ų | 106.1 | 48% | 0.483 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.2 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | A73 Y74 S79 V80 E81 | A73-S77 WeakPolarHBondContact O-CB 3.46Å; A73-S77 PolarHBondContact O-N 2.9Å; A73-S77 PolarHBondContact O-OG 2.92Å; Y74-S77 WeakPolarHBondContact O-CB 3.5Å; Y74-S77 PolarHBondContact O-N 3.44Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.39Å; S77-V80 PolarHBondContact O-N 3.16Å; S77-V80 VanDerWaalsContact O-N 3.09Å; S77-E81 PolarHBondContact O-N 2.85Å |
| 78 | A | 61.8 | Low | 65.2 | Low | 39 Ų | 39 | 109.7 Ų | 109.7 | 32% | 0.322 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -36.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y74 V80 E81 V82 | Y74-A78 WeakPolarHBondContact O-CB 3.38Å; Y74-A78 PolarHBondContact O-N 3.43Å; A78-V80 VanDerWaalsContact C-N 3.25Å; A78-V80 PolarHBondContact O-N 3.23Å; A78-E81 PolarHBondContact O-N 3.46Å; A78-V82 PolarHBondContact O-N 2.86Å |
| 79 | S | 57.2 | Low | 63.2 | Low | 78 Ų | 78 | 111.8 Ų | 111.8 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.6 | -23.4 | 176 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | E75 S77 | E75-S79 WeakPolarHBondContact O-CB 3.4Å; E75-S79 PolarHBondContact O-N 3.4Å; E75-S79 VanDerWaalsContact O-N 3.09Å; E75-S79 PolarHBondContact O-OG 3.07Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.39Å |
| 80 | V | 56.7 | Low | 61.5 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -81.3 | -34.2 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | S76 S77 A78 K83 K84 | S76-V80 WeakPolarHBondContact O-CG2 3.46Å; S76-V80 PolarHBondContact O-N 2.88Å; S77-V80 PolarHBondContact O-N 3.16Å; S77-V80 VanDerWaalsContact O-N 3.09Å; A78-V80 VanDerWaalsContact C-N 3.25Å; A78-V80 PolarHBondContact O-N 3.23Å; V80-K83 PolarHBondContact O-N 2.95Å; V80-K84 HydrophobicContact CG1-CD 4.46Å; V80-K84 PolarHBondContact O-N 3.48Å |
| 81 | E | 52.5 | Low | 59.6 | Low | 129 Ų | 129 | 113.5 Ų | 113.5 | 60% | 0.603 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.4 | -39.5 | 179.3 | -115.2 | 160.7 | -176.4 | 0 | 0 | 112.7 | S77 A78 K83 K84 N85 | S77-E81 PolarHBondContact O-N 2.85Å; A78-E81 PolarHBondContact O-N 3.46Å; E81-K83 VanDerWaalsContact C-N 3.27Å; E81-K83 PolarHBondContact O-N 2.94Å; E81-K84 PolarHBondContact O-N 3.37Å; E81-N85 PolarHBondContact O-N 3.41Å |
| 82 | V | 52.9 | Low | 57.7 | Low | 112 Ų | 112 | 115 Ų | 115 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.2 | -35 | 174.4 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | A78 G86 | A78-V82 PolarHBondContact O-N 2.86Å; V82-G86 PolarHBondContact O-N 3.41Å; V82-G86 VanDerWaalsContact O-N 3.16Å |
| 83 | K | 52.7 | Low | 55.8 | Low | 155 Ų | 155 | 112.5 Ų | 112.5 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.4 | -23.8 | 176.6 | -79.9 | -177.9 | 177.7 | 174.8 | 0 | 114 | V80 E81 K87 | V80-K83 PolarHBondContact O-N 2.95Å; E81-K83 VanDerWaalsContact C-N 3.27Å; E81-K83 PolarHBondContact O-N 2.94Å; K83-K87 WeakPolarHBondContact O-CB 3.39Å; K83-K87 VanDerWaalsContact O-CG 3.32Å; K83-K87 WeakPolarHBondContact O-CG 3.32Å |
| 84 | K | 52.2 | Low | 53.9 | Low | 139 Ų | 139 | 113.7 Ų | 113.7 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.8 | -41.5 | 174.1 | -81.3 | -178.4 | 176.4 | 178.2 | 0 | 111.4 | V80 E81 K87 Q88 | V80-K84 HydrophobicContact CG1-CD 4.46Å; V80-K84 PolarHBondContact O-N 3.48Å; E81-K84 PolarHBondContact O-N 3.37Å; K84-K87 PolarHBondContact O-N 3.48Å; K84-Q88 PolarHBondContact O-N 3.33Å |
| 85 | N | 49.5 | Very low | 52.2 | Low | 105 Ų | 105 | 112.1 Ų | 112.1 | 56% | 0.561 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.3 | -29.1 | 179.6 | -65.3 | -5 | 0 | 0 | 0 | 112.4 | E81 | E81-N85 PolarHBondContact O-N 3.41Å |
| 86 | G | 48.7 | Very low | 50.3 | Low | 53 Ų | 53 | 118.6 Ų | 118.6 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | -14.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V82 | V82-G86 PolarHBondContact O-N 3.41Å; V82-G86 VanDerWaalsContact O-N 3.16Å |
| 87 | K | 49.4 | Very low | 49 | Very low | 145 Ų | 145 | 124 Ų | 124 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -16.3 | 179.5 | -77.6 | -176.5 | 176.8 | -170.1 | 0 | 114.1 | K83 K84 F89 | K83-K87 WeakPolarHBondContact O-CB 3.39Å; K83-K87 VanDerWaalsContact O-CG 3.32Å; K83-K87 WeakPolarHBondContact O-CG 3.32Å; K84-K87 PolarHBondContact O-N 3.48Å; K87-F89 VanDerWaalsContact C-N 3.3Å; K87-F89 PolarHBondContact O-N 3.36Å |
| 88 | Q | 45.6 | Very low | 47.6 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -15.4 | 175.7 | -79.2 | -178 | -34.2 | 0 | 0 | 113.7 | K84 | K84-Q88 PolarHBondContact O-N 3.33Š|
| 89 | F | 44.7 | Very low | 46.3 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 88% | 0.882 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 3.6 | 174.2 | -87.6 | -83.4 | 0 | 0 | 0 | 114.8 | K87 | K87-F89 VanDerWaalsContact C-N 3.3Å; K87-F89 PolarHBondContact O-N 3.36Å |
| 90 | A | 47.8 | Very low | 45.6 | Very low | 79 Ų | 79 | 139 Ų | 139 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -127.5 | 22.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 91 | Q | 46.3 | Very low | 44.9 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | -110.3 | 9.3 | -174 | -101.9 | -173.7 | -8.6 | 0 | 0 | 116.2 | | |
| 92 | E | 44.1 | Very low | 44.6 | Very low | 206 Ų | 206 | 144.5 Ų | 144.5 | 96% | 0.963 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -94.3 | 85.6 | 161.5 | -82.8 | -172.5 | 154.2 | 0 | 0 | 109.7 | | |
| 93 | G | 38.6 | Very low | 43.9 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 150.5 | 105.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 94 | G | 39.9 | Very low | 43.4 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | 91.3 | 84.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 95 | N | 40.3 | Very low | 43.1 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | | 57.5 | 108.1 | 126.3 | -132 | -1.3 | 0 | 0 | 0 | 120.5 | | |
| 96 | R | 34.5 | Very low | 42.7 | Very low | 224 Ų | 224 | 144.7 Ų | 144.7 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | 23.7 | 114.8 | 140.4 | -70 | 175.9 | 174.2 | 167.2 | -0.2 | 117.8 | | |
| 97 | Q | 46 | Very low | 42.7 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | | -165.7 | 122.1 | 124.2 | -103.8 | 167 | 46.1 | 0 | 0 | 113.3 | | |
| 98 | R | 38.8 | Very low | 42.7 | Very low | 235 Ų | 235 | 149.4 Ų | 149.4 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | 17.8 | 115.2 | 151.8 | -73.9 | 177.9 | -99.2 | -154.9 | -4.5 | 120.2 | | |
| 99 | G | 34.3 | Very low | 42.4 | Very low | 69 Ų | 69 | 148.8 Ų | 148.8 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | | | | 75.1 | 105.3 | 117.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 100 | H | 41.9 | Very low | 42 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | -173.2 | 122.7 | 132.2 | -105.5 | -77.8 | 0 | 0 | 0 | 109.3 | | |
| 101 | K | 42.3 | Very low | 41.6 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 141.1 | 171.4 | -73.6 | 178.1 | 175.4 | 179.7 | 0 | 109.5 | G103 | K101-G103 PolarHBondContact O-N 2.95Š|
| 102 | P | 47.1 | Very low | 41.4 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.8 | 168.3 | 10.6 | 2.1 | 0 | 0 | 0 | 109.6 | | |
| 103 | G | 38.1 | Very low | 41.6 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 134.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K101 M105 | K101-G103 PolarHBondContact O-N 2.95Å; G103-M105 PolarHBondContact O-N 3.34Å |
| 104 | V | 41.5 | Very low | 41.9 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | -74.3 | 111.9 | 161.5 | -175.6 | 0 | 0 | 0 | 0 | 106.2 | | |
| 105 | M | 46.1 | Very low | 41.6 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 128.7 | 172.9 | -67.2 | -128.5 | -163 | 0 | 0 | 109.2 | G103 | G103-M105 PolarHBondContact O-N 3.34Š|
| 106 | P | 41.5 | Very low | 41.5 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138 | 175.3 | 31.7 | -30.5 | 0 | 0 | 0 | 109.7 | | |
| 107 | M | 47.5 | Very low | 41.7 | Very low | 175 Ų | 175 | 146 Ų | 146 | 86% | 0.862 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.3 | 170.8 | -76.8 | -165 | 149.4 | 0 | 0 | 110.9 | | |
| 108 | P | 50.4 | Low | 41.3 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 136.3 | 178.8 | 27.8 | -32.8 | 0 | 0 | 0 | 111.1 | | |
| 109 | P | 39 | Very low | 41.3 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 122.4 | 172.3 | 31.6 | -28.1 | 0 | 0 | 0 | 109.3 | | |
| 110 | G | 35 | Very low | 41.2 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | 158.2 | 104.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 111 | L | 41.1 | Very low | 41 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | 158 | 84.5 | 137 | -81.2 | 170.7 | 0 | 0 | 0 | 107.2 | P113 | L111-P113 WeakPolarHBondContact O-CD 3.47Š|
| 112 | R | 41.7 | Very low | 40.6 | Very low | 242 Ų | 242 | 136.1 Ų | 136.1 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 120 | 171.8 | -163.1 | -175.9 | -71.2 | -144.9 | 1.5 | 107 | | |
| 113 | P | 47.6 | Very low | 40.1 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 150.5 | 173.1 | 26.9 | -31.1 | 0 | 0 | 0 | 109.5 | L111 G115 | L111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-G115 PolarHBondContact O-N 3.42Å |
| 114 | P | 44.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.3 | 177.9 | 25.4 | -31.6 | 0 | 0 | 0 | 109.3 | F116 | P114-F116 PolarHBondContact O-N 2.98Š|
| 115 | G | 34.5 | Very low | 39.6 | Very low | 75 Ų | 75 | 145.4 Ų | 145.4 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | -61.1 | 106.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P113 | P113-G115 PolarHBondContact O-N 3.42Š|
| 116 | F | 38.6 | Very low | 38.9 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 79% | 0.789 | 82% | 0.817 | S | S | * | * | | | trans | -91.9 | 109.4 | 156 | -95.2 | -92 | 0 | 0 | 0 | 107.6 | P114 A118 | P114-F116 PolarHBondContact O-N 2.98Å; F116-A118 PolarHBondContact O-N 3.5Å |
| 117 | N | 37 | Very low | 38.5 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | | | trans | -63.6 | 101.4 | 165.1 | -70.4 | -40.7 | 0 | 0 | 0 | 107.6 | | |
| 118 | A | 37.8 | Very low | 37.9 | Very low | 82 Ų | 82 | 147.8 Ų | 147.8 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | trans | -76.8 | 134.2 | 163 | 0 | 0 | 0 | 0 | 0 | 108.3 | F116 K120 | F116-A118 PolarHBondContact O-N 3.5Å; A118-K120 PolarHBondContact O-N 2.95Å |
| 119 | P | 40.1 | Very low | 37 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | | | trans | -67.7 | 124.2 | 177.4 | 27.8 | -30.4 | 0 | 0 | 0 | 109.1 | | |
| 120 | K | 32.3 | Very low | 36.9 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | trans | -88.3 | 113 | 165.9 | -72.3 | -178.5 | 177.7 | 179.1 | 0 | 107.5 | A118 | A118-K120 PolarHBondContact O-N 2.95Š|
| 121 | E | 37.8 | Very low | 36.9 | Very low | 195 Ų | 195 | 154.5 Ų | 154.5 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | | | trans | 177.4 | 115.5 | 153.3 | -99.5 | 160.9 | -155.4 | 0 | 0 | 103.7 | | |
| 122 | G | 33.2 | Very low | 36.8 | Very low | 65 Ų | 65 | 152.8 Ų | 152.8 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | | | cis | 97.3 | 83.9 | 40 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 123 | T | 37.2 | Very low | 36.6 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | 171.3 | 141 | 137.6 | 31.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 124 | K | 31 | Very low | 36.1 | Very low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | | | trans | -74.5 | 139.6 | 177.2 | -64.3 | 162.8 | 170.2 | 177 | 0 | 108.9 | | |
| 125 | E | 36.5 | Very low | 35.9 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | 177.5 | 93.2 | 151.1 | -101.4 | 169.8 | -168.1 | 0 | 0 | 104.5 | | |
| 126 | E | 32.5 | Very low | 36.1 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | | 48.3 | 87.1 | 82.7 | -140.7 | 178.5 | 138.8 | 0 | 0 | 111.3 | | |
| 127 | F | 33.8 | Very low | 35.9 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 91% | 0.912 | 81% | 0.807 | S | S | * | * | | | trans | -153.5 | 138.2 | 147.4 | -130.2 | -91.8 | 0 | 0 | 0 | 111.8 | | |
| 128 | N | 33.5 | Very low | 36.1 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -72.4 | 145.8 | -154.5 | -79.3 | -61.5 | 0 | 0 | 0 | 115.7 | | |
| 129 | L | 32.5 | Very low | 36.2 | Very low | 154 Ų | 154 | 154 Ų | 154 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | -65.4 | 118.6 | 149.8 | -174.5 | 82.1 | 0 | 0 | 0 | 108.3 | | |
| 130 | E | 37.5 | Very low | 36.2 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | | | trans | 179 | 142.8 | 137.6 | -107.5 | 174.5 | 84.5 | 0 | 0 | 113.9 | | |
| 131 | Q | 34.1 | Very low | 36.7 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | 78.1 | 109.4 | 149.8 | -65.5 | 165.8 | 18.7 | 0 | 0 | 119.4 | | |
| 132 | S | 39.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -155.5 | 100.5 | 130.1 | -7.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 133 | A | 37.8 | Very low | 37.1 | Very low | 89 Ų | 89 | 156.7 Ų | 156.7 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -100.9 | 134.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 134 | S | 36.6 | Very low | 37.3 | Very low | 93 Ų | 93 | 158.7 Ų | 158.7 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | | | trans | 55 | 130.7 | 141.8 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 135 | E | 40.4 | Very low | 37.7 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | 75 | 138.8 | 135.6 | -73.2 | 173.4 | 164.1 | 0 | 0 | 117.4 | | |
| 136 | T | 38.8 | Very low | 37.8 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | cis | -160.4 | 162 | 21 | 28.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 137 | D | 34.5 | Very low | 37.7 | Very low | 152 Ų | 152 | 153 Ų | 153 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -26.9 | 144.9 | 165.1 | -61.9 | -75.7 | 0 | 0 | 0 | 120.4 | | |
| 138 | E | 40.9 | Very low | 38 | Very low | 198 Ų | 198 | 152 Ų | 152 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -152.4 | 124.9 | 132.9 | -129 | -174 | 140 | 0 | 0 | 113.2 | | |
| 139 | E | 39.7 | Very low | 37.8 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | -50.1 | 149.8 | 169.1 | -112.2 | -177.5 | 102.4 | 0 | 0 | 112.6 | | |
| 140 | R | 40.3 | Very low | 37.9 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | | 156.6 | 176.3 | 70.5 | -131.4 | -162.6 | -165.9 | -163.2 | -0.3 | 110.8 | | |
| 141 | P | 43.7 | Very low | 38 | Very low | 87 Ų | 87 | 157.2 Ų | 157.2 | 57% | 0.565 | 81% | 0.805 | S | S | * | * | | | | -141.7 | -169.9 | -87.9 | 48.9 | -30.6 | 0 | 0 | 0 | 116.7 | | |
| 142 | Q | 39 | Very low | 38 | Very low | 168 Ų | 168 | 158.5 Ų | 158.5 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 76.1 | 116.1 | 146.7 | -73.4 | 174.6 | 28.9 | 0 | 0 | 121.2 | | |
| 143 | K | 40.5 | Very low | 38 | Very low | 193 Ų | 193 | 163.5 Ų | 163.5 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | | -163.2 | 106.1 | 120.5 | -109.8 | 168.7 | -175.5 | 175.4 | 0 | 114.1 | | |
| 144 | K | 40.9 | Very low | 38 | Very low | 193 Ų | 193 | 163.8 Ų | 163.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | 59.5 | 117.3 | 132.5 | -58.5 | -177.1 | -180 | -172.7 | 0 | 121.4 | | |
| 145 | K | 38.7 | Very low | 38 | Very low | 200 Ų | 200 | 169.4 Ų | 169.4 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | | | trans | -80.5 | 170.6 | 159.1 | -62.7 | 179.6 | 177.2 | 179.2 | 0 | 111.6 | | |
| 146 | P | 39.3 | Very low | 37.9 | Very low | 129 Ų | 129 | 170.5 Ų | 170.5 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | | | | -145.9 | 170.6 | 102.7 | 31 | -10.2 | 0 | 0 | 0 | 116.9 | | |
| 147 | C | 30.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 170 Ų | 170 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | | | trans | -62.5 | 160.3 | -170.1 | -46.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 148 | E | 39.9 | Very low | 37.8 | Very low | 187 Ų | 187 | 168.6 Ų | 168.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | | 162.3 | 151.9 | 95.1 | -134.8 | 173.7 | 165.9 | 0 | 0 | 112.7 | | |
| 149 | C | 28.5 | Very low | 37.5 | Very low | 124 Ų | 124 | 163.9 Ų | 163.9 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | | | trans | -53.7 | 123.6 | -170.9 | -55.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 150 | R | 35.3 | Very low | 37.3 | Very low | 243 Ų | 243 | 159.4 Ų | 159.4 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | trans | -171.8 | 119.9 | 141.6 | -136.2 | 166.1 | 176.9 | 153.6 | -1.9 | 111.2 | | |
| 151 | M | 39.1 | Very low | 37.1 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | | | trans | 149.4 | 78.7 | 150.8 | -69.4 | -112.6 | -172.8 | 0 | 0 | 109 | | |
| 152 | E | 35.3 | Very low | 36.7 | Very low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | -63.9 | 153.6 | 155.1 | -70.3 | 171.5 | 118.6 | 0 | 0 | 109.9 | | |
| 153 | R | 39 | Very low | 36.6 | Very low | 234 Ų | 234 | 153 Ų | 153 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | | | trans | 92.7 | 113.1 | -176.9 | -56.5 | 171.4 | -161.4 | -171.9 | 4.2 | 112.6 | | |
| 154 | A | 36.5 | Very low | 36.3 | Very low | 96 Ų | 96 | 152.8 Ų | 152.8 | 79% | 0.793 | 83% | 0.83 | S | S | * | * | | | cis | -145.1 | 117.3 | 12.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | K156 | A154-K156 PolarHBondContact O-N 2.71Š|
| 155 | K | 37.8 | Very low | 36.2 | Very low | 210 Ų | 210 | 149.5 Ų | 149.5 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | | | trans | -65.3 | 100.9 | 169.1 | -77.2 | 179.9 | 178.1 | 178.5 | 0 | 107.2 | C157 | K155-C157 PolarHBondContact O-N 3.07Å; K155-C157 VanDerWaalsContact O-N 3.1Å |
| 156 | K | 38.5 | Very low | 36.1 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | | | trans | -53.1 | 112 | 169 | -152.6 | 171.7 | -171.5 | -178.6 | 0 | 106.5 | A154 | A154-K156 PolarHBondContact O-N 2.71Š|
| 157 | C | 30.5 | Very low | 36.2 | Very low | 111 Ų | 111 | 149 Ų | 149 | 75% | 0.75 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.1 | 172 | -63.6 | 0 | 0 | 0 | 0 | 107.7 | K155 A159 | K155-C157 PolarHBondContact O-N 3.07Å; K155-C157 VanDerWaalsContact O-N 3.1Å; C157-A159 PolarHBondContact O-N 2.88Å |
| 158 | P | 39.9 | Very low | 36.6 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 143.3 | 172.3 | 24.6 | -32.3 | 0 | 0 | 0 | 108.9 | G160 | P158-G160 PolarHBondContact O-N 2.95Š|
| 159 | A | 35.3 | Very low | 36.3 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 135 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | C157 | C157-A159 PolarHBondContact O-N 2.88Š|
| 160 | G | 35 | Very low | 36.8 | Very low | 60 Ų | 60 | 148.9 Ų | 148.9 | 62% | 0.619 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 151.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P158 | P158-G160 PolarHBondContact O-N 2.95Š|
| 161 | P | 35.8 | Very low | 37.1 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.6 | 177.1 | 25.4 | -33.4 | 0 | 0 | 0 | 109.9 | G163 | P161-G163 PolarHBondContact O-N 3.35Š|
| 162 | P | 36 | Very low | 36.9 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 140.6 | 170.7 | -25.9 | 34 | 0 | 0 | 0 | 110.8 | | |
| 163 | G | 35.9 | Very low | 37.2 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 145.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P161 | P161-G163 PolarHBondContact O-N 3.35Š|
| 164 | Q | 35.1 | Very low | 37.3 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.9 | 178.8 | -68.9 | -178.8 | 20.6 | 0 | 0 | 110 | G166 | Q164-G166 PolarHBondContact O-N 3.04Š|
| 165 | P | 38.6 | Very low | 37.4 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 138.3 | 170.9 | -25.9 | 34.3 | 0 | 0 | 0 | 110.9 | | |
| 166 | G | 36.5 | Very low | 37.6 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57 | 145.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q164 H168 | Q164-G166 PolarHBondContact O-N 3.04Å; G166-H168 PolarHBondContact O-N 3.1Å |
| 167 | R | 41.8 | Very low | 37.8 | Very low | 251 Ų | 251 | 118.8 Ų | 118.8 | 95% | 0.947 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 132.9 | 176.8 | -68.6 | -175.5 | 176.5 | -139.8 | -0.6 | 109.9 | | |
| 168 | H | 37.4 | Very low | 38 | Very low | 186 Ų | 186 | 115.9 Ų | 115.9 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 139.2 | 171.9 | -50 | -69.9 | 0 | 0 | 0 | 110 | G166 | G166-H168 PolarHBondContact O-N 3.1Š|
| 169 | G | 33.9 | Very low | 37.9 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 170 | L | 39.4 | Very low | 38.1 | Very low | 169 Ų | 169 | 118.8 Ų | 118.8 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 140.5 | 176.9 | -67.7 | 170 | 0 | 0 | 0 | 110.4 | G172 | L170-G172 PolarHBondContact O-N 3.33Š|
| 171 | P | 41.5 | Very low | 38.2 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.7 | 173.6 | -24.5 | 33.5 | 0 | 0 | 0 | 111.4 | | |
| 172 | G | 35.7 | Very low | 38.4 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L170 | L170-G172 PolarHBondContact O-N 3.33Š|
| 173 | A | 40.5 | Very low | 38.8 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 144.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G175 | A173-G175 PolarHBondContact O-N 3.03Š|
| 174 | N | 42 | Very low | 38.8 | Very low | 119 Ų | 119 | 122 Ų | 122 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 132.9 | 173.4 | -60.1 | -22.9 | 0 | 0 | 0 | 109.1 | R223 | N174-R223 PolarHBondContact OD1-NH1 3Å; N174-R223 PolarHBondContact OD1-NH2 3.41Å |
| 175 | G | 38.6 | Very low | 39.1 | Very low | 49 Ų | 49 | 122.4 Ų | 122.4 | 51% | 0.505 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 156.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A173 | A173-G175 PolarHBondContact O-N 3.03Š|
| 176 | P | 42.2 | Very low | 39.3 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148.1 | 177.5 | 26.2 | -33.7 | 0 | 0 | 0 | 111.1 | | |
| 177 | N | 41.8 | Very low | 39.3 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.2 | 173.1 | -67.8 | -27.9 | 0 | 0 | 0 | 110 | | |
| 178 | G | 35.2 | Very low | 39.5 | Very low | 49 Ų | 49 | 123.5 Ų | 123.5 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 148.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 179 | I | 37.7 | Very low | 39.8 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 131.1 | 179.1 | -47.6 | 168.5 | 0 | 0 | 0 | 108.4 | G181 | I179-G181 PolarHBondContact O-N 3.29Š|
| 180 | P | 40.6 | Very low | 40.1 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 138.5 | 173.6 | -25.4 | 34.3 | 0 | 0 | 0 | 111.6 | | |
| 181 | G | 36.1 | Very low | 40.1 | Very low | 58 Ų | 58 | 122.9 Ų | 122.9 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I179 | I179-G181 PolarHBondContact O-N 3.29Š|
| 182 | K | 40.2 | Very low | 40 | Very low | 203 Ų | 203 | 123.3 Ų | 123.3 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 141 | 176.8 | -67.9 | -177.3 | 178.1 | 179.8 | 0 | 110.2 | | |
| 183 | P | 43.4 | Very low | 40 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 141.1 | 171.2 | -23.9 | 33.7 | 0 | 0 | 0 | 111.2 | | |
| 184 | G | 37.3 | Very low | 40.2 | Very low | 63 Ų | 63 | 129.6 Ų | 129.6 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62 | 147 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 185 | E | 40.4 | Very low | 40.1 | Very low | 197 Ų | 197 | 129 Ų | 129 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 144 | 176.5 | -65.9 | -175.6 | 153.7 | 0 | 0 | 111.1 | G187 | E185-G187 PolarHBondContact O-N 3.45Š|
| 186 | R | 42.4 | Very low | 40.1 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131.6 | 175.8 | -175.9 | -169.1 | -63 | 177.4 | 0.9 | 108.7 | E188 | R186-E188 PolarHBondContact O-N 2.98Š|
| 187 | G | 38.3 | Very low | 40.3 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 137.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E185 D189 | E185-G187 PolarHBondContact O-N 3.45Å; G187-D189 PolarHBondContact O-N 3.48Å |
| 188 | E | 44.2 | Very low | 40.6 | Very low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.3 | -177.8 | -60.8 | 177.1 | 147 | 0 | 0 | 111.1 | R186 A190 | R186-E188 PolarHBondContact O-N 2.98Å; E188-A190 PolarHBondContact O-N 3.28Å |
| 189 | D | 44.2 | Very low | 40.9 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.9 | 176.1 | -59.7 | -42.2 | 0 | 0 | 0 | 109.3 | G187 Q191 | G187-D189 PolarHBondContact O-N 3.48Å; D189-Q191 PolarHBondContact O-N 3.4Å |
| 190 | A | 39.9 | Very low | 41.1 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -56.9 | 109.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | E188 L192 | E188-A190 PolarHBondContact O-N 3.28Å; A190-L192 PolarHBondContact O-N 3.5Å |
| 191 | Q | 39.9 | Very low | 41.7 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -64.8 | 103.5 | 175.5 | -85.5 | 160.3 | 7 | 0 | 0 | 109.5 | D189 L193 | D189-Q191 PolarHBondContact O-N 3.4Å; Q191-L193 PolarHBondContact O-N 3.3Å |
| 192 | L | 39.7 | Very low | 42.2 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 71% | 0.707 | 79% | 0.786 | S | S | * | * | | | trans | -67.7 | 118.1 | 175.3 | -137.1 | 92.9 | 0 | 0 | 0 | 109.4 | A190 L207 | A190-L192 PolarHBondContact O-N 3.5Å; L192-L207 HydrophobicContact CD1-CD2 4.38Å |
| 193 | L | 35.8 | Very low | 42.3 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -120.6 | 69.5 | 175.5 | -161.3 | 88.9 | 0 | 0 | 0 | 110.6 | Q191 | Q191-L193 PolarHBondContact O-N 3.3Š|
| 194 | V | 44.1 | Very low | 42.2 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | trans | -151.8 | 135.6 | 163.6 | -158.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 195 | P | 39.2 | Very low | 42.6 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | trans | -98 | 146 | -157.1 | 38.3 | -33.7 | 0 | 0 | 0 | 115.2 | | |
| 196 | I | 39.1 | Very low | 42.6 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | 15.9 | 111.9 | 147.7 | 36.3 | 170.5 | 0 | 0 | 0 | 119 | | |
| 197 | A | 46.5 | Very low | 42.5 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | trans | -165.8 | 120.2 | 130.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 198 | S | 48.5 | Very low | 42.4 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | 68.9 | 101.2 | 142.9 | -54.7 | 0 | 0 | 0 | 0 | 120 | | |
| 199 | D | 42.2 | Very low | 42.2 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | | 72.6 | 70.6 | 126.6 | -43.8 | -29.1 | 0 | 0 | 0 | 118.2 | | |
| 200 | C | 41.3 | Very low | 42 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | trans | -149.5 | 114.5 | 145.9 | -147.2 | 0 | 0 | 0 | 0 | 111.9 | I202 | C200-I202 PolarHBondContact O-N 3.39Š|
| 201 | I | 52.6 | Low | 42 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -0.1 | -178.8 | -78.4 | 169.8 | 0 | 0 | 0 | 112.9 | | |
| 202 | I | 46.8 | Very low | 42 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -8.8 | -165.2 | -62.1 | 178.4 | 0 | 0 | 0 | 115 | C200 | C200-I202 PolarHBondContact O-N 3.39Š|
| 203 | C | 42.4 | Very low | 42 | Very low | 81 Ų | 81 | 128 Ų | 128 | 55% | 0.547 | 77% | 0.765 | S | S | . | * | | | trans | -132.3 | 21.3 | -167.9 | -65.9 | 0 | 0 | 0 | 0 | 118 | S205 | C203-S205 PolarHBondContact O-N 2.99Š|
| 204 | R | 40.8 | Very low | 42.3 | Very low | 239 Ų | 239 | 125.4 Ų | 125.4 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -8.6 | 175.9 | -157.6 | 164.9 | -175.7 | 173.7 | 0.9 | 114.2 | | |
| 205 | S | 46.3 | Very low | 42 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -4.5 | -178.8 | -44.5 | 0 | 0 | 0 | 0 | 114.5 | C203 | C203-S205 PolarHBondContact O-N 2.99Š|
| 206 | C | 40.9 | Very low | 42.1 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -109.5 | -0.5 | -171.4 | -62.4 | 0 | 0 | 0 | 0 | 115 | | |
| 207 | L | 39.9 | Very low | 42.3 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -99.7 | -4.5 | 179.4 | -144.8 | 80.4 | 0 | 0 | 0 | 114.1 | L192 | L192-L207 HydrophobicContact CD1-CD2 4.38Š|
| 208 | N | 36.7 | Very low | 42 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -104.5 | 102.3 | 175.5 | -74.7 | 10.8 | 0 | 0 | 0 | 108.9 | | |
| 209 | G | 39.4 | Very low | 41.7 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57 | 139.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 210 | A | 39.4 | Very low | 41.7 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 138.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G212 | A210-G212 PolarHBondContact O-N 3.05Š|
| 211 | P | 41.4 | Very low | 41.6 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 136.2 | 173.8 | -26.1 | 33.8 | 0 | 0 | 0 | 110.9 | | |
| 212 | G | 38.2 | Very low | 41.1 | Very low | 71 Ų | 71 | 117.1 Ų | 117.1 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56 | 144.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | A210 | A210-G212 PolarHBondContact O-N 3.05Š|
| 213 | Q | 40.4 | Very low | 41.1 | Very low | 187 Ų | 187 | 118.1 Ų | 118.1 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.1 | 177.2 | -68.3 | -172 | 12.9 | 0 | 0 | 110.5 | G215 | Q213-G215 PolarHBondContact O-N 2.95Š|
| 214 | P | 41.3 | Very low | 41 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 139.7 | 171.8 | -24.9 | 34 | 0 | 0 | 0 | 111.3 | | |
| 215 | G | 38 | Very low | 41.2 | Very low | 55 Ų | 55 | 111 Ų | 111 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 156.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q213 | Q213-G215 PolarHBondContact O-N 2.95Š|
| 216 | P | 41.7 | Very low | 41.3 | Very low | 123 Ų | 123 | 111.3 Ų | 111.3 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 152.5 | 177.6 | 27.3 | -34.6 | 0 | 0 | 0 | 111.3 | | |
| 217 | P | 43.5 | Very low | 41.3 | Very low | 127 Ų | 127 | 108.8 Ų | 108.8 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.6 | 172.9 | -24.4 | 33.7 | 0 | 0 | 0 | 111.9 | | |
| 218 | G | 39.7 | Very low | 41.6 | Very low | 51 Ų | 51 | 113.9 Ų | 113.9 | 53% | 0.526 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 159.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 219 | P | 42.5 | Very low | 42.2 | Very low | 125 Ų | 125 | 112 Ų | 112 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 148.6 | 179.2 | 26.8 | -34.4 | 0 | 0 | 0 | 111.5 | G221 | P219-G221 PolarHBondContact O-N 3.48Š|
| 220 | Q | 43.1 | Very low | 42.2 | Very low | 153 Ų | 153 | 111.3 Ų | 111.3 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 132.1 | 174 | -173.8 | 175.1 | -4.4 | 0 | 0 | 110 | | |
| 221 | G | 39.7 | Very low | 42.6 | Very low | 53 Ų | 53 | 112.9 Ų | 112.9 | 55% | 0.546 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 146.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P219 | P219-G221 PolarHBondContact O-N 3.48Š|
| 222 | L | 42 | Very low | 43 | Very low | 173 Ų | 173 | 113.2 Ų | 113.2 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 141 | 178.3 | -66.3 | 174.1 | 0 | 0 | 0 | 110.7 | G224 | L222-G224 PolarHBondContact O-N 3.27Š|
| 223 | R | 45 | Very low | 43.2 | Very low | 164 Ų | 164 | 112.2 Ų | 112.2 | 62% | 0.619 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.6 | 172.2 | -178.8 | 179.1 | 167.1 | 162.7 | 1.7 | 109.3 | N174 | N174-R223 PolarHBondContact OD1-NH1 3Å; N174-R223 PolarHBondContact OD1-NH2 3.41Å |
| 224 | G | 42.3 | Very low | 43.5 | Very low | 48 Ų | 48 | 108.2 Ų | 108.2 | 50% | 0.495 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 155 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L222 | L222-G224 PolarHBondContact O-N 3.27Š|
| 225 | P | 44.9 | Very low | 44 | Very low | 122 Ų | 122 | 110.3 Ų | 110.3 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 152.9 | 178.7 | 26.6 | -34.2 | 0 | 0 | 0 | 111.3 | | |
| 226 | P | 46.6 | Very low | 44.1 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 145 | 170.8 | -23.3 | 33.4 | 0 | 0 | 0 | 111.5 | | |
| 227 | G | 40.9 | Very low | 44.5 | Very low | 57 Ų | 57 | 108.8 Ų | 108.8 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -57 | 152.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 228 | R | 47.3 | Very low | 44.8 | Very low | 242 Ų | 242 | 107.5 Ų | 107.5 | 91% | 0.913 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.3 | 175.5 | -68.5 | -175.7 | 177.1 | -174.6 | 0.4 | 110 | | |
| 229 | A | 49.1 | Very low | 44.9 | Very low | 97 Ų | 97 | 107.5 Ų | 107.5 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -59 | 140.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 230 | G | 40.1 | Very low | 45.3 | Very low | 57 Ų | 57 | 106.3 Ų | 106.3 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 149.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 231 | V | 46.9 | Very low | 45.9 | Very low | 125 Ų | 125 | 105 Ų | 105 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 135.2 | 175 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 232 | P | 50.3 | Low | 45.9 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 140.8 | 171.9 | -25.6 | 34.7 | 0 | 0 | 0 | 111.2 | | |
| 233 | G | 41.1 | Very low | 46.6 | Very low | 49 Ų | 49 | 105.2 Ų | 105.2 | 51% | 0.505 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 147.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 234 | S | 46.8 | Very low | 47 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.3 | 173.8 | 54 | 0 | 0 | 0 | 0 | 110.8 | | |
| 235 | D | 52.2 | Low | 47.1 | Very low | 158 Ų | 158 | 105.6 Ų | 105.6 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 139.9 | 172.3 | -68 | -29.7 | 0 | 0 | 0 | 110.7 | | |
| 236 | G | 40.7 | Very low | 47.5 | Very low | 53 Ų | 53 | 107.3 Ų | 107.3 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 144.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 237 | A | 48.9 | Very low | 48.1 | Very low | 93 Ų | 93 | 107.6 Ų | 107.6 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G239 | A237-G239 PolarHBondContact O-N 3.19Š|
| 238 | A | 51.2 | Low | 48.2 | Very low | 100 Ų | 100 | 106.3 Ų | 106.3 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 239 | G | 40.7 | Very low | 48.6 | Very low | 50 Ų | 50 | 100.6 Ų | 100.6 | 52% | 0.515 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 144.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A237 | A237-G239 PolarHBondContact O-N 3.19Š|
| 240 | S | 51.1 | Low | 48.9 | Very low | 101 Ų | 101 | 104.7 Ų | 104.7 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 142 | 175.8 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 241 | P | 55.3 | Low | 49 | Very low | 126 Ų | 126 | 103.8 Ų | 103.8 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 141.3 | 171.7 | -24.6 | 33.9 | 0 | 0 | 0 | 111.4 | | |
| 242 | G | 41.1 | Very low | 49.3 | Very low | 48 Ų | 48 | 107.1 Ų | 107.1 | 50% | 0.495 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 149.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 243 | E | 56.9 | Low | 49.7 | Very low | 181 Ų | 181 | 109.2 Ų | 109.2 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.6 | 176.1 | -66.8 | -176.3 | 157 | 0 | 0 | 111.4 | G245 | E243-G245 PolarHBondContact O-N 3.01Š|
| 244 | M | 53.5 | Low | 49.8 | Very low | 184 Ų | 184 | 109.3 Ų | 109.3 | 91% | 0.906 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129.3 | 174.7 | 178.9 | 169.3 | 50.3 | 0 | 0 | 109.4 | | |
| 245 | G | 42.8 | Very low | 50.4 | Low | 36 Ų | 36 | 113.8 Ų | 113.8 | 37% | 0.371 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -61 | 148.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E243 | E243-G245 PolarHBondContact O-N 3.01Š|
| 246 | L | 55 | Low | 51 | Low | 158 Ų | 158 | 112.3 Ų | 112.3 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.4 | 178.2 | -65.5 | 170.7 | 0 | 0 | 0 | 111.4 | | |
| 247 | P | 58.2 | Low | 51.3 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 139.8 | 171.3 | -24.1 | 33.5 | 0 | 0 | 0 | 111.5 | | |
| 248 | G | 43.7 | Very low | 51.6 | Low | 30 Ų | 30 | 117 Ų | 117 | 31% | 0.309 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -62 | 156.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 249 | P | 54.6 | Low | 51.9 | Low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 148.2 | 177.5 | 26.2 | -34.2 | 0 | 0 | 0 | 111.5 | G251 | P249-G251 PolarHBondContact O-N 2.93Š|
| 250 | Q | 56.4 | Low | 52.3 | Low | 183 Ų | 183 | 122 Ų | 122 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131 | 173.9 | -178.7 | 175.8 | -13 | 0 | 0 | 109.9 | | |
| 251 | G | 41.3 | Very low | 52.4 | Low | 37 Ų | 37 | 128.9 Ų | 128.9 | 38% | 0.381 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 147.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P249 | P249-G251 PolarHBondContact O-N 2.93Š|
| 252 | E | 53 | Low | 52.2 | Low | 195 Ų | 195 | 129.7 Ų | 129.7 | 91% | 0.911 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.7 | 178.9 | -64.8 | -174.2 | 157.2 | 0 | 0 | 112 | G254 | E252-G254 PolarHBondContact O-N 3.43Š|
| 253 | I | 59.3 | Low | 52.6 | Low | 160 Ų | 160 | 131 Ų | 131 | 82% | 0.821 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 125.3 | 175.5 | -62.9 | 169.8 | 0 | 0 | 0 | 108.6 | | |
| 254 | G | 43.3 | Very low | 52.3 | Low | 51 Ų | 51 | 128.4 Ų | 128.4 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 139.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E252 | E252-G254 PolarHBondContact O-N 3.43Š|
| 255 | K | 58.7 | Low | 52.2 | Low | 198 Ų | 198 | 126.7 Ų | 126.7 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145.3 | 179.1 | -66.4 | -178.8 | -179.8 | 178.4 | 0 | 111.1 | G257 | K255-G257 PolarHBondContact O-N 3.31Š|
| 256 | P | 64.6 | Low | 52.4 | Low | 127 Ų | 127 | 130.5 Ų | 130.5 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 140.1 | 174.3 | -25 | 33.6 | 0 | 0 | 0 | 111.9 | | |
| 257 | G | 48.4 | Very low | 52.2 | Low | 56 Ų | 56 | 131.2 Ų | 131.2 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 144.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K255 K259 | K255-G257 PolarHBondContact O-N 3.31Å; G257-K259 PolarHBondContact O-N 3.01Å |
| 258 | M | 54.8 | Low | 51.6 | Low | 189 Ų | 189 | 136.9 Ų | 136.9 | 93% | 0.931 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.5 | 176.2 | -71.7 | 177.1 | 68.2 | 0 | 0 | 110.6 | G260 | M258-G260 PolarHBondContact O-N 3.01Š|
| 259 | K | 58.1 | Low | 51.9 | Low | 198 Ų | 198 | 141.7 Ų | 141.7 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.3 | 174.3 | -165.7 | 174.9 | -176.3 | 179.1 | 0 | 108.8 | G257 R261 | G257-K259 PolarHBondContact O-N 3.01Å; K259-R261 PolarHBondContact O-N 2.78Å |
| 260 | G | 49.4 | Very low | 52 | Low | 56 Ų | 56 | 143 Ų | 143 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | M258 N262 | M258-G260 PolarHBondContact O-N 3.01Å; G260-N262 PolarHBondContact O-N 3.38Å |
| 261 | R | 53.1 | Low | 51.7 | Low | 246 Ų | 246 | 137.4 Ų | 137.4 | 93% | 0.928 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 127.3 | 177 | -169.3 | 164.1 | 79.5 | 170.7 | 5.2 | 108.7 | K259 G263 | K259-R261 PolarHBondContact O-N 2.78Å; R261-G263 PolarHBondContact O-N 3.38Å; R261-G263 VanDerWaalsContact O-N 3.11Å |
| 262 | N | 51.4 | Low | 52.2 | Low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 118.1 | 175.9 | -72.7 | -10 | 0 | 0 | 0 | 109.3 | G260 T264 | G260-N262 PolarHBondContact O-N 3.38Å; N262-T264 PolarHBondContact O-N 3.32Å |
| 263 | G | 48.2 | Very low | 52.4 | Low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -74.7 | 109.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R261 N265 | R261-G263 PolarHBondContact O-N 3.38Å; R261-G263 VanDerWaalsContact O-N 3.11Å; G263-N265 VanDerWaalsContact C-N 3.3Å; G263-N265 PolarHBondContact O-N 3.48Å; G263-N265 VanDerWaalsContact O-N 3.11Å |
| 264 | T | 50.3 | Low | 52 | Low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -74 | 90.6 | 160.3 | 50.5 | 0 | 0 | 0 | 0 | 106.9 | N262 | N262-T264 PolarHBondContact O-N 3.32Š|
| 265 | N | 52.3 | Low | 52.5 | Low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 158.2 | 107.6 | 153.3 | -78.3 | -14.9 | 0 | 0 | 0 | 109 | G263 E267 | G263-N265 VanDerWaalsContact C-N 3.3Å; G263-N265 PolarHBondContact O-N 3.48Å; G263-N265 VanDerWaalsContact O-N 3.11Å; N265-E267 PolarHBondContact O-N 3.49Å |
| 266 | A | 45.7 | Very low | 52.4 | Low | 115 Ų | 115 | 144.5 Ų | 144.5 | 95% | 0.95 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 22.4 | 2.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 267 | E | 51.9 | Low | 51.6 | Low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -110.3 | 122.8 | 173.6 | -99.4 | 160.2 | 146.8 | 0 | 0 | 111.2 | N265 V269 | N265-E267 PolarHBondContact O-N 3.49Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.5Å |
| 268 | R | 45 | Very low | 51.8 | Low | 245 Ų | 245 | 145.3 Ų | 145.3 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | | | trans | -56.4 | 88.8 | 176.5 | -87.6 | -178 | -82.1 | -101.5 | -3.4 | 110.4 | I270 | R268-I270 PolarHBondContact O-N 3.25Š|
| 269 | V | 50.9 | Low | 51.9 | Low | 130 Ų | 130 | 142.2 Ų | 142.2 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -87.3 | 99.6 | 164.5 | -175.2 | 0 | 0 | 0 | 0 | 107.3 | E267 G271 | E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.5Å; V269-G271 PolarHBondContact O-N 2.88Å |
| 270 | I | 56 | Low | 51.2 | Low | 151 Ų | 151 | 134.8 Ų | 134.8 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -56.5 | 119.3 | 168.1 | -66.3 | 168.5 | 0 | 0 | 0 | 107 | R268 V272 | R268-I270 PolarHBondContact O-N 3.25Å; I270-V272 PolarHBondContact O-N 3.09Å |
| 271 | G | 49.2 | Very low | 51.2 | Low | 65 Ų | 65 | 138.1 Ų | 138.1 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | -56.1 | 112 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V269 K273 | V269-G271 PolarHBondContact O-N 2.88Å; G271-K273 PolarHBondContact O-N 3.38Å |
| 272 | V | 53.2 | Low | 51 | Low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.2 | 179.4 | -148.9 | 0 | 0 | 0 | 0 | 107.7 | I270 G274 | I270-V272 PolarHBondContact O-N 3.09Å; V272-G274 PolarHBondContact O-N 2.65Å |
| 273 | K | 56.4 | Low | 50.5 | Low | 196 Ų | 196 | 130.1 Ų | 130.1 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.1 | 174.6 | -178.1 | 176.1 | 179.6 | 176 | 0 | 108.2 | G271 L275 | G271-K273 PolarHBondContact O-N 3.38Å; K273-L275 PolarHBondContact O-N 3.18Å |
| 274 | G | 50.7 | Low | 50.3 | Low | 47 Ų | 47 | 133 Ų | 133 | 49% | 0.485 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 135 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V272 | V272-G274 PolarHBondContact O-N 2.65Š|
| 275 | L | 54.3 | Low | 50.3 | Low | 173 Ų | 173 | 136.1 Ų | 136.1 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -55 | 140 | 177.1 | -67 | 168.4 | 0 | 0 | 0 | 109.6 | K273 G277 | K273-L275 PolarHBondContact O-N 3.18Å; L275-G277 PolarHBondContact O-N 3.43Å |
| 276 | R | 57.5 | Low | 49.7 | Very low | 237 Ų | 237 | 130.8 Ų | 130.8 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -55 | 128.9 | 172.2 | -178.7 | 177.9 | 179.7 | 167.2 | 0.4 | 107.8 | | |
| 277 | G | 47.2 | Very low | 49.7 | Very low | 44 Ų | 44 | 131.9 Ų | 131.9 | 45% | 0.454 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 142.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L275 | L275-G277 PolarHBondContact O-N 3.43Š|
| 278 | N | 51.5 | Low | 49.4 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 143.2 | 176 | -68.5 | -26.4 | 0 | 0 | 0 | 109.7 | G280 | N278-G280 PolarHBondContact O-N 3.07Š|
| 279 | P | 56.9 | Low | 49.2 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 139.2 | 169.7 | -25.3 | 34 | 0 | 0 | 0 | 110.2 | | |
| 280 | G | 44.4 | Very low | 49 | Very low | 42 Ų | 42 | 121 Ų | 121 | 43% | 0.433 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 156.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | N278 M282 | N278-G280 PolarHBondContact O-N 3.07Å; G280-M282 PolarHBondContact O-N 2.97Å |
| 281 | P | 49.2 | Very low | 48.7 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.7 | 176 | 24.8 | -33.6 | 0 | 0 | 0 | 109.9 | G283 | P281-G283 PolarHBondContact O-N 2.84Š|
| 282 | M | 48.7 | Very low | 48.1 | Very low | 183 Ų | 183 | 118.7 Ų | 118.7 | 90% | 0.901 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -52 | 133.5 | 171.9 | -175.4 | 170.2 | 63.7 | 0 | 0 | 108.8 | G280 | G280-M282 PolarHBondContact O-N 2.97Š|
| 283 | G | 41.8 | Very low | 47.7 | Very low | 38 Ų | 38 | 121.9 Ų | 121.9 | 39% | 0.392 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 145.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P281 Q285 | P281-G283 PolarHBondContact O-N 2.84Å; G283-Q285 PolarHBondContact O-N 3.09Å |
| 284 | I | 43.9 | Very low | 47.3 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 132.3 | 173.2 | 51.3 | 173.5 | 0 | 0 | 0 | 109.2 | G286 | I284-G286 PolarHBondContact O-N 3.31Š|
| 285 | Q | 49.1 | Very low | 46.7 | Very low | 192 Ų | 192 | 120.1 Ų | 120.1 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 129.8 | 173.3 | -173.2 | 174 | 32.7 | 0 | 0 | 108.2 | G283 V287 | G283-Q285 PolarHBondContact O-N 3.09Å; Q285-V287 PolarHBondContact O-N 3.35Å |
| 286 | G | 40.5 | Very low | 46.2 | Very low | 36 Ų | 36 | 117 Ų | 117 | 37% | 0.371 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 141.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I284 K288 | I284-G286 PolarHBondContact O-N 3.31Å; G286-K288 PolarHBondContact O-N 3.34Å |
| 287 | V | 44.4 | Very low | 45.6 | Very low | 137 Ų | 137 | 114.3 Ų | 114.3 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.5 | 174 | -123.5 | 0 | 0 | 0 | 0 | 108.5 | Q285 G289 | Q285-V287 PolarHBondContact O-N 3.35Å; V287-G289 PolarHBondContact O-N 3.29Å |
| 288 | K | 47.3 | Very low | 45.2 | Very low | 203 Ų | 203 | 114 Ų | 114 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129.1 | 173.7 | -174 | 178.1 | -179 | 178.9 | 0 | 108.2 | G286 | G286-K288 PolarHBondContact O-N 3.34Š|
| 289 | G | 40.8 | Very low | 44.8 | Very low | 30 Ų | 30 | 114.7 Ų | 114.7 | 31% | 0.309 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 151.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V287 | V287-G289 PolarHBondContact O-N 3.29Š|
| 290 | A | 46.9 | Very low | 44.3 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 147.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G292 | A290-G292 PolarHBondContact O-N 3.35Š|
| 291 | P | 47.8 | Very low | 44 | Very low | 125 Ų | 125 | 115.3 Ų | 115.3 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 137.1 | 172 | -24.6 | 33.7 | 0 | 0 | 0 | 110.3 | | |
| 292 | G | 37.3 | Very low | 43.9 | Very low | 42 Ų | 42 | 113.7 Ų | 113.7 | 43% | 0.433 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 147 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A290 N294 | A290-G292 PolarHBondContact O-N 3.35Å; G292-N294 PolarHBondContact O-N 3.44Å |
| 293 | K | 46 | Very low | 43.9 | Very low | 203 Ų | 203 | 111.8 Ų | 111.8 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 138.1 | 171.7 | -67.6 | -179 | 178.1 | 177.4 | 0 | 108.3 | G295 | K293-G295 PolarHBondContact O-N 3.39Š|
| 294 | N | 47.5 | Very low | 43.7 | Very low | 160 Ų | 160 | 112.4 Ų | 112.4 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 133.2 | 171.2 | -74.1 | -4.2 | 0 | 0 | 0 | 108.7 | G292 | G292-N294 PolarHBondContact O-N 3.44Š|
| 295 | G | 37.5 | Very low | 43.8 | Very low | 47 Ų | 47 | 113.6 Ų | 113.6 | 49% | 0.485 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 144.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | K293 Q297 | K293-G295 PolarHBondContact O-N 3.39Å; G295-Q297 PolarHBondContact O-N 3.26Å |
| 296 | S | 43.1 | Very low | 43.8 | Very low | 108 Ų | 108 | 110.1 Ų | 110.1 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 137.2 | 170.6 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | G298 | S296-G298 PolarHBondContact O-N 2.95Š|
| 297 | Q | 46.7 | Very low | 43.7 | Very low | 180 Ų | 180 | 111.3 Ų | 111.3 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 129.1 | 173.1 | -173.8 | 176.2 | -22.7 | 0 | 0 | 108.9 | G295 | G295-Q297 PolarHBondContact O-N 3.26Š|
| 298 | G | 36.9 | Very low | 43.8 | Very low | 38 Ų | 38 | 112.5 Ų | 112.5 | 39% | 0.392 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 147.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | S296 V300 | S296-G298 PolarHBondContact O-N 2.95Å; G298-V300 PolarHBondContact O-N 3.16Å |
| 299 | L | 43.1 | Very low | 43.9 | Very low | 169 Ų | 169 | 109.7 Ų | 109.7 | 89% | 0.885 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 134.6 | 173.9 | -71.8 | 164.3 | 0 | 0 | 0 | 109.2 | G301 | L299-G301 PolarHBondContact O-N 3.19Š|
| 300 | V | 47 | Very low | 43.8 | Very low | 133 Ų | 133 | 110.7 Ų | 110.7 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 124.7 | 172.2 | 180 | 0 | 0 | 0 | 0 | 107.4 | G298 | G298-V300 PolarHBondContact O-N 3.16Š|
| 301 | G | 38.6 | Very low | 43.6 | Very low | 46 Ų | 46 | 112.7 Ų | 112.7 | 47% | 0.474 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 142.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L299 V303 | L299-G301 PolarHBondContact O-N 3.19Å; G301-V303 PolarHBondContact O-N 3.07Å |
| 302 | A | 46.5 | Very low | 43.4 | Very low | 93 Ų | 93 | 111.4 Ų | 111.4 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 140.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G304 | A302-G304 PolarHBondContact O-N 3.35Š|
| 303 | V | 48.5 | Very low | 43.5 | Very low | 143 Ų | 143 | 112.9 Ų | 112.9 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125.9 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | G301 L305 | G301-V303 PolarHBondContact O-N 3.07Å; V303-L305 PolarHBondContact O-N 3.34Å |
| 304 | G | 38.5 | Very low | 43.2 | Very low | 51 Ų | 51 | 112.4 Ų | 112.4 | 53% | 0.526 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 140.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A302 | A302-G304 PolarHBondContact O-N 3.35Š|
| 305 | L | 44.9 | Very low | 43 | Very low | 161 Ų | 161 | 109.4 Ų | 109.4 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 143.9 | 174.8 | -69 | 168.5 | 0 | 0 | 0 | 109.9 | V303 G307 | V303-L305 PolarHBondContact O-N 3.34Å; L305-G307 PolarHBondContact O-N 3.05Å |
| 306 | P | 48.9 | Very low | 43 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 135.5 | 169.1 | -24.8 | 34 | 0 | 0 | 0 | 110 | | |
| 307 | G | 38.4 | Very low | 43 | Very low | 61 Ų | 61 | 111.3 Ų | 111.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 147.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L305 V309 | L305-G307 PolarHBondContact O-N 3.05Å; G307-V309 PolarHBondContact O-N 3.44Å |
| 308 | D | 47.3 | Very low | 43.1 | Very low | 163 Ų | 163 | 108.8 Ų | 108.8 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140.9 | 175.7 | -62.7 | -45.8 | 0 | 0 | 0 | 110.5 | G310 | D308-G310 PolarHBondContact O-N 3.45Å; D308-G310 VanDerWaalsContact O-N 3.16Å |
| 309 | V | 48.7 | Very low | 43.1 | Very low | 144 Ų | 144 | 110 Ų | 110 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 122.3 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | G307 | G307-V309 PolarHBondContact O-N 3.44Š|
| 310 | G | 39.2 | Very low | 43.1 | Very low | 51 Ų | 51 | 108.2 Ų | 108.2 | 53% | 0.526 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 153.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D308 | D308-G310 PolarHBondContact O-N 3.45Å; D308-G310 VanDerWaalsContact O-N 3.16Å |
| 311 | P | 42.5 | Very low | 43 | Very low | 130 Ų | 130 | 106.6 Ų | 106.6 | 84% | 0.844 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 146.6 | 177.8 | 25.2 | -33.8 | 0 | 0 | 0 | 110.4 | G313 | P311-G313 PolarHBondContact O-N 3.16Š|
| 312 | A | 44.5 | Very low | 43 | Very low | 98 Ų | 98 | 107.4 Ų | 107.4 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 133.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 313 | G | 38 | Very low | 42.8 | Very low | 72 Ų | 72 | 109.3 Ų | 109.3 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 141.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P311 A315 | P311-G313 PolarHBondContact O-N 3.16Å; G313-A315 PolarHBondContact O-N 3.27Å |
| 314 | E | 40.3 | Very low | 42.5 | Very low | 193 Ų | 193 | 110.3 Ų | 110.3 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 136.5 | 174 | -70.7 | -179.2 | 159.2 | 0 | 0 | 109.7 | A316 | E314-A316 PolarHBondContact O-N 3.3Š|
| 315 | A | 43.2 | Very low | 42.5 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 129.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | G313 | G313-A315 PolarHBondContact O-N 3.27Š|
| 316 | A | 38.6 | Very low | 42.4 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 141.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | E314 | E314-A316 PolarHBondContact O-N 3.3Š|
| 317 | P | 43.3 | Very low | 42.2 | Very low | 112 Ų | 112 | 110 Ų | 110 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148 | 173.2 | 23.9 | -32.6 | 0 | 0 | 0 | 109.8 | G319 | P317-G319 PolarHBondContact O-N 3.37Š|
| 318 | P | 48.3 | Very low | 42.2 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 134 | 175.7 | -28 | 34.6 | 0 | 0 | 0 | 111 | | |
| 319 | G | 37.8 | Very low | 41.9 | Very low | 63 Ų | 63 | 105.4 Ų | 105.4 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 152 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P317 A321 | P317-G319 PolarHBondContact O-N 3.37Å; G319-A321 PolarHBondContact O-N 3.36Å |
| 320 | P | 41.4 | Very low | 42.1 | Very low | 131 Ų | 131 | 105 Ų | 105 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56 | 140.8 | 173.3 | 25.4 | -33.2 | 0 | 0 | 0 | 109.5 | G322 | P320-G322 PolarHBondContact O-N 2.98Š|
| 321 | A | 46.7 | Very low | 42.2 | Very low | 100 Ų | 100 | 105.3 Ų | 105.3 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 134.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G319 | G319-A321 PolarHBondContact O-N 3.36Š|
| 322 | G | 38.6 | Very low | 42.5 | Very low | 62 Ų | 62 | 105.3 Ų | 105.3 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 152.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P320 M324 | P320-G322 PolarHBondContact O-N 2.98Å; G322-M324 PolarHBondContact O-N 3.24Å |
| 323 | P | 41.4 | Very low | 42.4 | Very low | 133 Ų | 133 | 107.8 Ų | 107.8 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 137 | 173.5 | 25.5 | -33.2 | 0 | 0 | 0 | 109.4 | G325 | P323-G325 PolarHBondContact O-N 3.34Š|
| 324 | M | 42 | Very low | 42.6 | Very low | 164 Ų | 164 | 109 Ų | 109 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 131.7 | 172 | -173.4 | 173.4 | 71.8 | 0 | 0 | 108.5 | G322 | G322-M324 PolarHBondContact O-N 3.24Š|
| 325 | G | 38.9 | Very low | 42.7 | Very low | 49 Ų | 49 | 105.3 Ų | 105.3 | 51% | 0.505 | 75% | 0.749 | S | S | . | * | P | Polyproline II helix | trans | -55 | 155.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P323 I327 | P323-G325 PolarHBondContact O-N 3.34Å; G325-I327 PolarHBondContact O-N 3.28Å |
| 326 | P | 42.3 | Very low | 42.8 | Very low | 129 Ų | 129 | 108 Ų | 108 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.5 | 176.2 | 24.2 | -32.8 | 0 | 0 | 0 | 109.4 | G328 | P326-G328 PolarHBondContact O-N 3.23Å; P326-G328 VanDerWaalsContact O-N 3.16Å |
| 327 | I | 45.9 | Very low | 42.7 | Very low | 147 Ų | 147 | 113.1 Ų | 113.1 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 124.3 | 171.3 | -64.2 | 171.3 | 0 | 0 | 0 | 106.5 | G325 G329 | G325-I327 PolarHBondContact O-N 3.28Å; I327-G329 PolarHBondContact O-N 3.24Å |
| 328 | G | 37.6 | Very low | 42.7 | Very low | 65 Ų | 65 | 114.5 Ų | 114.5 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 129.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P326 | P326-G328 PolarHBondContact O-N 3.23Å; P326-G328 VanDerWaalsContact O-N 3.16Å |
| 329 | G | 41 | Very low | 42.7 | Very low | 62 Ų | 62 | 113.9 Ų | 113.9 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 155.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I327 G331 | I327-G329 PolarHBondContact O-N 3.24Å; G329-G331 PolarHBondContact O-N 3.5Å |
| 330 | P | 51.8 | Low | 43 | Very low | 137 Ų | 137 | 116 Ų | 116 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 130.2 | 173.9 | -23.8 | 32.5 | 0 | 0 | 0 | 109.9 | | |
| 331 | G | 41.8 | Very low | 43 | Very low | 56 Ų | 56 | 118.6 Ų | 118.6 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 155.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | G329 D333 | G329-G331 PolarHBondContact O-N 3.5Å; G331-D333 PolarHBondContact O-N 3.26Å; G331-D333 VanDerWaalsContact O-N 3.07Å |
| 332 | P | 49.5 | Very low | 43.1 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 123.6 | 176.2 | 24.3 | -32.4 | 0 | 0 | 0 | 108 | A334 | P332-A334 PolarHBondContact O-N 2.74Å; P332-A334 VanDerWaalsContact O-N 3.1Å |
| 333 | D | 42.7 | Very low | 43.3 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -50 | 123.3 | 174.5 | -123.2 | -17.2 | 0 | 0 | 0 | 106.9 | G331 T335 | G331-D333 PolarHBondContact O-N 3.26Å; G331-D333 VanDerWaalsContact O-N 3.07Å; D333-T335 PolarHBondContact O-N 3.1Å |
| 334 | A | 42.1 | Very low | 43.2 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -73.3 | 63 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P332 L336 | P332-A334 PolarHBondContact O-N 2.74Å; P332-A334 VanDerWaalsContact O-N 3.1Å; A334-L336 PolarHBondContact O-N 3.11Å; A334-L336 VanDerWaalsContact O-N 3.11Å |
| 335 | T | 42.5 | Very low | 43.4 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | trans | -85.2 | 81 | 166.5 | -13 | 0 | 0 | 0 | 0 | 107.9 | D333 Q337 | D333-T335 PolarHBondContact O-N 3.1Å; T335-Q337 PolarHBondContact O-N 3.07Å |
| 336 | L | 43.9 | Very low | 43.6 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -38.3 | 112.8 | 164 | -159.8 | 154.4 | 0 | 0 | 0 | 110.8 | A334 | A334-L336 PolarHBondContact O-N 3.11Å; A334-L336 VanDerWaalsContact O-N 3.11Å |
| 337 | Q | 37.2 | Very low | 43.5 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -167.8 | 77.2 | 158.5 | -107.5 | 162.5 | 71 | 0 | 0 | 109.7 | T335 | T335-Q337 PolarHBondContact O-N 3.07Š|
| 338 | D | 43.5 | Very low | 43.4 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -113.5 | 138.1 | 154.3 | -163.6 | 7.3 | 0 | 0 | 0 | 108.8 | | |
| 339 | T | 48.7 | Very low | 43.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | 69.6 | 85.5 | 176.7 | 65.7 | 0 | 0 | 0 | 0 | 117.8 | M341 | T339-M341 VanDerWaalsContact C-N 3.28Å; T339-M341 PolarHBondContact O-N 2.88Å |
| 340 | S | 43.5 | Very low | 44.2 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -42 | 92.4 | 136.7 | 143.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 341 | M | 42.5 | Very low | 44 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -95.1 | 105.4 | 146.1 | -115.6 | -175.5 | -159.3 | 0 | 0 | 107.1 | T339 I343 | T339-M341 VanDerWaalsContact C-N 3.28Å; T339-M341 PolarHBondContact O-N 2.88Å; M341-I343 PolarHBondContact O-N 3.3Å |
| 342 | R | 47.1 | Very low | 44.1 | Very low | 228 Ų | 228 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -69.3 | 112.4 | 167.7 | -70.3 | 178.4 | 179.6 | 170.4 | 0.1 | 108.2 | | |
| 343 | I | 44 | Very low | 43.7 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | | -177 | 103.6 | 125.7 | -80.7 | 148.9 | 0 | 0 | 0 | 105.1 | M341 | M341-I343 PolarHBondContact O-N 3.3Š|
| 344 | G | 39.1 | Very low | 43.8 | Very low | 67 Ų | 67 | 147.9 Ų | 147.9 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 150.1 | 61.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 345 | T | 46.1 | Very low | 43.8 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | 33.8 | 104.8 | 151.1 | 57 | 0 | 0 | 0 | 0 | 121.1 | | |
| 346 | T | 42.1 | Very low | 43.9 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | | 162 | 101.5 | 123.2 | 33.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 347 | R | 42.1 | Very low | 43.9 | Very low | 231 Ų | 231 | 152.3 Ų | 152.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | | 49.5 | 127.6 | 116.3 | -77.8 | -173 | -179.5 | -177.1 | 2.7 | 115.9 | | |
| 348 | L | 43 | Very low | 44 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | cis | -176.2 | 138.4 | 22 | -100.9 | 151.2 | 0 | 0 | 0 | 111.4 | | |
| 349 | S | 46.8 | Very low | 43.9 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | 58.9 | 145.8 | 143.2 | 79.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 350 | S | 48.2 | Very low | 43.9 | Very low | 97 Ų | 97 | 149.7 Ų | 149.7 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | cis | -178.5 | 144.2 | 2.7 | -111.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 351 | R | 47.2 | Very low | 43.9 | Very low | 227 Ų | 227 | 151.4 Ų | 151.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | trans | 70.4 | 119.6 | 145.7 | -61.4 | 174.1 | 176.3 | -178.6 | -2.7 | 121.1 | | |
| 352 | Q | 43.9 | Very low | 43.9 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | cis | 87.6 | 129.7 | 44.7 | -94.7 | -178.6 | -21.1 | 0 | 0 | 117.6 | | |
| 353 | N | 41.5 | Very low | 43.7 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | | | trans | 101.6 | 118.5 | 150.7 | -67.6 | 18.1 | 0 | 0 | 0 | 119.4 | | |
| 354 | E | 44 | Very low | 43.8 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | | 72.4 | 128.8 | 74.6 | -112.9 | 179 | 154.9 | 0 | 0 | 109.9 | | |
| 355 | E | 42.8 | Very low | 44.1 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | cis | -174.8 | 154.4 | 42 | -86 | -176.4 | 116.9 | 0 | 0 | 111.4 | | |
| 356 | H | 44.5 | Very low | 44.1 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | 55.7 | 149.4 | 135.7 | -74.6 | -94.1 | 0 | 0 | 0 | 125.1 | | |
| 357 | I | 43.3 | Very low | 44.2 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | 129.5 | 107.8 | 131.8 | -59.3 | -169.8 | 0 | 0 | 0 | 116.1 | | |
| 358 | F | 41 | Very low | 44.7 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | 77.6 | 107.2 | 144.4 | -82.7 | -118.9 | 0 | 0 | 0 | 124.7 | | |
| 359 | A | 40.3 | Very low | 45 | Very low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | | 49.3 | 157.8 | 104.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 360 | P | 49.1 | Very low | 44.9 | Very low | 111 Ų | 111 | 154.3 Ų | 154.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | trans | -115 | 175.6 | -137.7 | 39.2 | -26.2 | 0 | 0 | 0 | 115.7 | | |
| 361 | T | 43.8 | Very low | 44.7 | Very low | 144 Ų | 144 | 157.3 Ų | 157.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | 141.3 | 134.6 | 140.1 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 362 | G | 43.1 | Very low | 44.5 | Very low | 65 Ų | 65 | 153.4 Ų | 153.4 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | | | | 109 | 116.3 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 363 | K | 42.9 | Very low | 44.6 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | 77.2 | 103.1 | 141.1 | -55.6 | 175 | -176.4 | 177.6 | 0 | 116.3 | | |
| 364 | S | 44.2 | Very low | 44.8 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | | 61.6 | 108.8 | 79.2 | -158 | 0 | 0 | 0 | 0 | 114.1 | | |
| 365 | L | 46.1 | Very low | 44.8 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | | | | 162.1 | 134.2 | 116.8 | -84.5 | 162.4 | 0 | 0 | 0 | 113.7 | | |
| 366 | K | 45.3 | Very low | 45 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | | | trans | 77.2 | 94.1 | 139.8 | -72.6 | 172.3 | 173.8 | 177 | 0 | 121.6 | | |
| 367 | K | 45.3 | Very low | 45 | Very low | 202 Ų | 202 | 153.1 Ų | 153.1 | 88% | 0.878 | 84% | 0.84 | S | S | * | * | | | | 31.2 | 127.5 | 107.8 | -126 | 179.4 | -173.1 | -179.7 | 0 | 119.4 | | |
| 368 | K | 51.5 | Low | 45.1 | Very low | 215 Ų | 215 | 153.6 Ų | 153.6 | 94% | 0.935 | 85% | 0.847 | S | S | * | * | | | trans | -170.8 | 101.5 | 132.2 | -109 | 179.2 | -178.8 | -176.7 | 0 | 113 | | |
| 369 | S | 49.2 | Very low | 45.5 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 100% | 1.357 | 85% | 0.848 | S | S | * | * | | | trans | 158.3 | 0 | 134.2 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | | |