| 1 | M | 60.4 | Low | 87.4 | Confident | 238 Ų | 238 | 117.1 Ų | 117.1 | 100% | 1.172 | 62% | 0.617 | S | S | * | * | | | | 0 | 143.4 | 0 | -69.1 | 178.4 | 171.9 | 0 | 0 | 108.4 | T3 | M1-T3 PolarHBondContact O-N 3.36Š|
| 2 | A | 69.7 | Low | 88 | Confident | 105 Ų | 105 | 113 Ų | 113 | 87% | 0.868 | 60% | 0.595 | S | S | * | * | | | trans | -80.9 | 102.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 3 | T | 85.2 | Confident | 88.4 | Confident | 129 Ų | 129 | 108.5 Ų | 108.5 | 79% | 0.791 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 138.1 | 174.6 | 41.9 | 0 | 0 | 0 | 0 | 110.4 | M1 | M1-T3 PolarHBondContact O-N 3.36Š|
| 4 | I | 87.4 | Confident | 88.8 | Confident | 89 Ų | 89 | 112.6 Ų | 112.6 | 46% | 0.456 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 125.4 | 175.6 | -61.5 | 176.4 | 0 | 0 | 0 | 107.6 | K8 L9 | I4-K8 HydrophobicContact CG2-CB 3.86Å; I4-K8 HydrophobicContact CG2-CD 4.05Å; I4-K8 HydrophobicContact CG2-CG 3.9Å; I4-L9 HydrophobicContact CB-CD2 4.08Å; I4-L9 HydrophobicContact CB-CG 4.46Å; I4-L9 HydrophobicContact CD1-CD2 4.46Å; I4-L9 HydrophobicContact CG2-CD2 3.71Å; I4-L9 HydrophobicContact CG2-CG 3.96Å |
| 5 | P | 93.5 | Very high | 89.2 | Confident | 62 Ų | 62 | 116.7 Ų | 116.7 | 40% | 0.403 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 144 | 179.3 | 28.8 | -35.4 | 0 | 0 | 0 | 110.5 | W7 K8 L9 | P5-W7 VanDerWaalsContact C-N 3.32Å; P5-W7 HydrophobicContact CG-CZ2 4.49Å; P5-W7 PolarHBondContact O-N 2.91Å; P5-K8 HydrophobicContact CG-CB 4.21Å; P5-K8 WeakPolarHBondContact O-CB 3.41Å; P5-K8 PolarHBondContact O-N 3.14Å; P5-L9 PolarHBondContact O-N 3.28Å |
| 6 | D | 90.6 | Very high | 89.4 | Confident | 98 Ų | 98 | 120 Ų | 120 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -56.7 | -39.7 | -167.7 | -176 | 56.8 | 0 | 0 | 0 | 113.9 | K8 L9 Q10 | D6-K8 PolarHBondContact O-N 3.41Å; D6-L9 CarbonylContact O-C 3.26Å; D6-L9 WeakPolarHBondContact O-CA 3.35Å; D6-L9 WeakPolarHBondContact O-CB 3.18Å; D6-L9 PolarHBondContact O-N 3.37Å; D6-Q10 WeakPolarHBondContact O-CG 3.11Å; D6-Q10 PolarHBondContact O-N 3.35Å; D6-Q10 PolarHBondContact OD2-NE2 3.45Å |
| 7 | W | 94.7 | Very high | 89.6 | Confident | 164 Ų | 164 | 120.4 Ų | 120.4 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.5 | -29.7 | 175.6 | 72 | -99.2 | 0 | 0 | 0 | 113.5 | P5 L11 | P5-W7 VanDerWaalsContact C-N 3.32Å; P5-W7 HydrophobicContact CG-CZ2 4.49Å; P5-W7 PolarHBondContact O-N 2.91Å; W7-L11 HydrophobicContact CZ3-CD2 4.2Å; W7-L11 WeakPolarHBondContact O-CB 3.17Å; W7-L11 PolarHBondContact O-N 3.25Å |
| 8 | K | 96.3 | Very high | 89.7 | Confident | 104 Ų | 104 | 119.6 Ų | 119.6 | 45% | 0.452 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -80.5 | -28.1 | 176.7 | -176.4 | 170 | 173.6 | -179.4 | 0 | 111.8 | I4 P5 D6 L12 | I4-K8 HydrophobicContact CG2-CB 3.86Å; I4-K8 HydrophobicContact CG2-CD 4.05Å; I4-K8 HydrophobicContact CG2-CG 3.9Å; P5-K8 HydrophobicContact CG-CB 4.21Å; P5-K8 WeakPolarHBondContact O-CB 3.41Å; P5-K8 PolarHBondContact O-N 3.14Å; D6-K8 PolarHBondContact O-N 3.41Å; K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.13Å; K8-L12 PolarHBondContact O-N 3.43Å; K8-L12 VanDerWaalsContact O-N 3.15Å |
| 9 | L | 94.1 | Very high | 89.7 | Confident | 83 Ų | 83 | 119.9 Ų | 119.9 | 44% | 0.435 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.1 | -46.2 | 167.3 | -59.5 | 177.2 | 0 | 0 | 0 | 110.6 | I4 P5 D6 L11 L12 A13 | I4-L9 HydrophobicContact CB-CD2 4.08Å; I4-L9 HydrophobicContact CB-CG 4.46Å; I4-L9 HydrophobicContact CD1-CD2 4.46Å; I4-L9 HydrophobicContact CG2-CD2 3.71Å; I4-L9 HydrophobicContact CG2-CG 3.96Å; P5-L9 PolarHBondContact O-N 3.28Å; D6-L9 CarbonylContact O-C 3.26Å; D6-L9 WeakPolarHBondContact O-CA 3.35Å; D6-L9 WeakPolarHBondContact O-CB 3.18Å; D6-L9 PolarHBondContact O-N 3.37Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L9-L12 PolarHBondContact O-N 3.48Å; L9-A13 WeakPolarHBondContact O-CB 3.17Å; L9-A13 PolarHBondContact O-N 3.32Å |
| 10 | Q | 95.2 | Very high | 89.8 | Confident | 119 Ų | 119 | 116.8 Ų | 116.8 | 56% | 0.556 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58 | -44 | 174.1 | -64.4 | -176.4 | 19.2 | 0 | 0 | 111.9 | D6 L12 A13 R14 | D6-Q10 WeakPolarHBondContact O-CG 3.11Å; D6-Q10 PolarHBondContact O-N 3.35Å; D6-Q10 PolarHBondContact OD2-NE2 3.45Å; Q10-L12 PolarHBondContact O-N 3.45Å; Q10-A13 PolarHBondContact O-N 3.07Å; Q10-R14 WeakPolarHBondContact O-CB 3.38Å; Q10-R14 PolarHBondContact O-N 3.31Å |
| 11 | L | 94.7 | Very high | 89.7 | Confident | 97 Ų | 97 | 114 Ų | 114 | 51% | 0.508 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -38.5 | 177 | -175.7 | 61.6 | 0 | 0 | 0 | 112.4 | W7 L9 R15 | W7-L11 HydrophobicContact CZ3-CD2 4.2Å; W7-L11 WeakPolarHBondContact O-CB 3.17Å; W7-L11 PolarHBondContact O-N 3.25Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L11-R15 WeakPolarHBondContact O-CB 3.24Å; L11-R15 PolarHBondContact O-N 2.76Å |
| 12 | L | 93.9 | Very high | 91 | Very high | 68 Ų | 68 | 106.8 Ų | 106.8 | 36% | 0.356 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.5 | -37.6 | 173.9 | -73.6 | 170.1 | 0 | 0 | 0 | 112.4 | K8 L9 Q10 R15 R16 | K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.13Å; K8-L12 PolarHBondContact O-N 3.43Å; K8-L12 VanDerWaalsContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.48Å; Q10-L12 PolarHBondContact O-N 3.45Å; L12-R15 PolarHBondContact O-N 3.37Å; L12-R16 WeakPolarHBondContact O-CG 3.21Å; L12-R16 PolarHBondContact O-N 2.92Å |
| 13 | A | 93.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 109.4 Ų | 109.4 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L9 Q10 R15 R16 Q17 | L9-A13 WeakPolarHBondContact O-CB 3.17Å; L9-A13 PolarHBondContact O-N 3.32Å; Q10-A13 PolarHBondContact O-N 3.07Å; A13-R15 PolarHBondContact O-N 2.78Å; A13-R16 PolarHBondContact O-N 3.39Å; A13-Q17 PolarHBondContact O-N 3.03Å |
| 14 | R | 94.7 | Very high | 91.9 | Very high | 166 Ų | 166 | 105 Ų | 105 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.1 | -47.3 | 172.9 | 178.6 | 179.8 | 163.5 | 174.8 | -2.3 | 111.4 | Q10 R16 Q17 E18 | Q10-R14 WeakPolarHBondContact O-CB 3.38Å; Q10-R14 PolarHBondContact O-N 3.31Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 2.96Å; R14-Q17 WeakPolarHBondContact O-CB 3.42Å; R14-Q17 PolarHBondContact O-N 2.91Å; R14-Q17 VanDerWaalsContact O-N 3.14Å; R14-E18 IonicContact NE-OE2 3.62Å; R14-E18 IonicContact NH2-OE2 2.68Å; R14-E18 WeakPolarHBondContact O-CB 3.47Å; R14-E18 PolarHBondContact O-N 2.77Å |
| 15 | R | 94.5 | Very high | 91.8 | Very high | 175 Ų | 175 | 109.9 Ų | 109.9 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 178.8 | -175.2 | 174.4 | 176.5 | 167.5 | 1.8 | 112 | L11 L12 A13 E18 E19 | L11-R15 WeakPolarHBondContact O-CB 3.24Å; L11-R15 PolarHBondContact O-N 2.76Å; L12-R15 PolarHBondContact O-N 3.37Å; A13-R15 PolarHBondContact O-N 2.78Å; R15-E18 PolarHBondContact O-N 3.39Å; R15-E19 VanDerWaalsContact O-CB 3.27Å; R15-E19 WeakPolarHBondContact O-CB 3.38Å; R15-E19 PolarHBondContact O-N 3.29Å |
| 16 | R | 92.9 | Very high | 91.5 | Very high | 169 Ų | 169 | 110.5 Ų | 110.5 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -40.8 | 173.6 | -72.8 | 173.6 | -177.5 | 131.1 | -4.8 | 112.2 | L12 A13 R14 A20 | L12-R16 WeakPolarHBondContact O-CG 3.21Å; L12-R16 PolarHBondContact O-N 2.92Å; A13-R16 PolarHBondContact O-N 3.39Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 2.96Å; R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.28Å; R16-A20 PolarHBondContact O-N 3.33Å |
| 17 | Q | 93 | Very high | 91.5 | Very high | 127 Ų | 127 | 111.8 Ų | 111.8 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.8 | -38.7 | 176.8 | -174.9 | 61.4 | 24.2 | 0 | 0 | 112 | A13 R14 S21 | A13-Q17 PolarHBondContact O-N 3.03Å; R14-Q17 WeakPolarHBondContact O-CB 3.42Å; R14-Q17 PolarHBondContact O-N 2.91Å; R14-Q17 VanDerWaalsContact O-N 3.14Å; Q17-S21 WeakPolarHBondContact O-CB 3.32Å; Q17-S21 PolarHBondContact O-N 3.36Å; Q17-S21 PolarHBondContact O-OG 3.26Å |
| 18 | E | 91 | Very high | 91.2 | Very high | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -47.2 | 176.7 | -167.2 | 169 | 149.5 | 0 | 0 | 110.8 | R14 R15 A20 S21 V22 | R14-E18 IonicContact NE-OE2 3.62Å; R14-E18 IonicContact NH2-OE2 2.68Å; R14-E18 WeakPolarHBondContact O-CB 3.47Å; R14-E18 PolarHBondContact O-N 2.77Å; R15-E18 PolarHBondContact O-N 3.39Å; E18-A20 PolarHBondContact O-N 2.99Å; E18-S21 WeakPolarHBondContact O-CB 3.43Å; E18-S21 PolarHBondContact O-N 2.98Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E18-V22 WeakPolarHBondContact O-CG2 3.35Å; E18-V22 PolarHBondContact O-N 3.22Å |
| 19 | E | 89.2 | Confident | 90.8 | Very high | 126 Ų | 126 | 105.9 Ų | 105.9 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 173.5 | -171.4 | -178 | 150.1 | 0 | 0 | 112 | R15 S21 V22 R23 | R15-E19 VanDerWaalsContact O-CB 3.27Å; R15-E19 WeakPolarHBondContact O-CB 3.38Å; R15-E19 PolarHBondContact O-N 3.29Å; E19-S21 VanDerWaalsContact C-N 3.31Å; E19-S21 PolarHBondContact O-N 3.24Å; E19-V22 PolarHBondContact O-N 3.26Å; E19-R23 VanDerWaalsContact O-CB 3.27Å; E19-R23 WeakPolarHBondContact O-CB 3.29Å; E19-R23 PolarHBondContact O-N 2.81Å |
| 20 | A | 92.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 109 Ų | 109 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R16 E18 G24 | R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.28Å; R16-A20 PolarHBondContact O-N 3.33Å; E18-A20 PolarHBondContact O-N 2.99Å; A20-G24 PolarHBondContact O-N 3.18Å |
| 21 | S | 87 | Confident | 90.2 | Very high | 59 Ų | 59 | 109.8 Ų | 109.8 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | Q17 E18 E19 G24 R25 | Q17-S21 WeakPolarHBondContact O-CB 3.32Å; Q17-S21 PolarHBondContact O-N 3.36Å; Q17-S21 PolarHBondContact O-OG 3.26Å; E18-S21 WeakPolarHBondContact O-CB 3.43Å; E18-S21 PolarHBondContact O-N 2.98Å; E18-S21 VanDerWaalsContact O-N 3.12Å; E19-S21 VanDerWaalsContact C-N 3.31Å; E19-S21 PolarHBondContact O-N 3.24Å; S21-G24 PolarHBondContact O-N 3.43Å; S21-R25 PolarHBondContact O-N 3.45Å |
| 22 | V | 88.5 | Confident | 89.9 | Confident | 87 Ų | 87 | 111.8 Ų | 111.8 | 53% | 0.527 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 172.6 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | E18 E19 G24 R25 E26 | E18-V22 WeakPolarHBondContact O-CG2 3.35Å; E18-V22 PolarHBondContact O-N 3.22Å; E19-V22 PolarHBondContact O-N 3.26Å; V22-G24 VanDerWaalsContact C-N 3.27Å; V22-G24 PolarHBondContact O-N 2.89Å; V22-R25 PolarHBondContact O-N 2.87Å; V22-R25 VanDerWaalsContact O-N 3.16Å; V22-E26 WeakPolarHBondContact O-CB 3.42Å; V22-E26 PolarHBondContact O-N 3.48Å |
| 23 | R | 85.6 | Confident | 89.6 | Confident | 159 Ų | 159 | 110.7 Ų | 110.7 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -32.6 | 176.8 | -159.7 | 176.6 | -158.9 | -147 | 4.9 | 112.5 | E19 K27 | E19-R23 VanDerWaalsContact O-CB 3.27Å; E19-R23 WeakPolarHBondContact O-CB 3.29Å; E19-R23 PolarHBondContact O-N 2.81Å; R23-K27 WeakPolarHBondContact O-CB 3.39Å; R23-K27 VanDerWaalsContact O-CG 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.42Å; R23-K27 PolarHBondContact O-N 3.01Å |
| 24 | G | 88.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 111.5 Ų | 111.5 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -48.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A20 S21 V22 K27 A28 | A20-G24 PolarHBondContact O-N 3.18Å; S21-G24 PolarHBondContact O-N 3.43Å; V22-G24 VanDerWaalsContact C-N 3.27Å; V22-G24 PolarHBondContact O-N 2.89Å; G24-K27 PolarHBondContact O-N 3.47Å; G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.92Å |
| 25 | R | 85.1 | Confident | 89.2 | Confident | 192 Ų | 192 | 111.7 Ų | 111.7 | 73% | 0.725 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 174.6 | -73.2 | 179 | 177.4 | -111.7 | 1.8 | 112.5 | S21 V22 K27 A28 E29 | S21-R25 PolarHBondContact O-N 3.45Å; V22-R25 PolarHBondContact O-N 2.87Å; V22-R25 VanDerWaalsContact O-N 3.16Å; R25-K27 PolarHBondContact O-N 2.71Å; R25-A28 PolarHBondContact O-N 2.8Å; R25-E29 PolarHBondContact O-N 3.31Å |
| 26 | E | 86.4 | Confident | 89 | Confident | 74 Ų | 74 | 104.3 Ų | 104.3 | 35% | 0.346 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 178.2 | -168.9 | -156.5 | -159.1 | 0 | 0 | 111.5 | V22 E29 R30 | V22-E26 WeakPolarHBondContact O-CB 3.42Å; V22-E26 PolarHBondContact O-N 3.48Å; E26-E29 PolarHBondContact O-N 3.21Å; E26-R30 VanDerWaalsContact CD-CZ 3.47Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.91Å; E26-R30 IonicContact OE1-CZ 3.11Å; E26-R30 IonicContact OE1-NH1 2.9Å; E26-R30 PolarHBondContact OE1-NH1 3.08Å; E26-R30 IonicContact OE1-NH2 2.68Å; E26-R30 PolarHBondContact OE1-NH2 3.5Å; E26-R30 IonicContact OE2-CZ 3.83Å; E26-R30 IonicContact OE2-NH1 2.89Å; E26-R30 PolarHBondContact OE2-NH1 3.2Å |
| 27 | K | 90.6 | Very high | 88.9 | Confident | 125 Ų | 125 | 99.5 Ų | 99.5 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 172 | -78.2 | 176.6 | 173.7 | -167.4 | 0 | 111.9 | R23 G24 R25 E29 R30 E31 | R23-K27 WeakPolarHBondContact O-CB 3.39Å; R23-K27 VanDerWaalsContact O-CG 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.42Å; R23-K27 PolarHBondContact O-N 3.01Å; G24-K27 PolarHBondContact O-N 3.47Å; R25-K27 PolarHBondContact O-N 2.71Å; K27-E29 VanDerWaalsContact C-N 3.32Å; K27-E29 PolarHBondContact O-N 2.89Å; K27-R30 PolarHBondContact O-N 2.92Å; K27-R30 VanDerWaalsContact O-N 3.13Å; K27-E31 WeakPolarHBondContact O-CB 3.37Å; K27-E31 PolarHBondContact O-N 2.93Å |
| 28 | A | 89.3 | Confident | 88.8 | Confident | 52 Ų | 52 | 96.9 Ų | 96.9 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G24 R25 R32 | G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.92Å; R25-A28 PolarHBondContact O-N 2.8Å; A28-R32 WeakPolarHBondContact O-CB 3.41Å; A28-R32 PolarHBondContact O-N 3.2Å |
| 29 | E | 86.7 | Confident | 88.9 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 170.8 | -85.5 | -159 | -131.8 | 0 | 0 | 112.4 | R25 E26 K27 L33 R48 | R25-E29 PolarHBondContact O-N 3.31Å; E26-E29 PolarHBondContact O-N 3.21Å; K27-E29 VanDerWaalsContact C-N 3.32Å; K27-E29 PolarHBondContact O-N 2.89Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 WeakPolarHBondContact O-CG 3.34Å; E29-L33 PolarHBondContact O-N 3.46Å; E29-R48 IonicContact OE2-CZ 2.6Å; E29-R48 IonicContact OE2-NH1 3.95Å; E29-R48 PolarHBondContact OE2-NH1 3.48Å; E29-R48 IonicContact OE2-NH2 3.91Å; E29-R48 PolarHBondContact OE2-NH2 2.94Å |
| 30 | R | 88 | Confident | 89.2 | Confident | 149 Ų | 149 | 98.6 Ų | 98.6 | 56% | 0.562 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 174.9 | -77.6 | -176 | 176.9 | 122 | 10.8 | 112.3 | E26 K27 L33 S34 | E26-R30 VanDerWaalsContact CD-CZ 3.47Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.91Å; E26-R30 IonicContact OE1-CZ 3.11Å; E26-R30 IonicContact OE1-NH1 2.9Å; E26-R30 PolarHBondContact OE1-NH1 3.08Å; E26-R30 IonicContact OE1-NH2 2.68Å; E26-R30 PolarHBondContact OE1-NH2 3.5Å; E26-R30 IonicContact OE2-CZ 3.83Å; E26-R30 IonicContact OE2-NH1 2.89Å; E26-R30 PolarHBondContact OE2-NH1 3.2Å; K27-R30 PolarHBondContact O-N 2.92Å; K27-R30 VanDerWaalsContact O-N 3.13Å; R30-L33 PolarHBondContact O-N 2.88Å; R30-S34 PolarHBondContact O-N 3.36Å |
| 31 | E | 89.4 | Confident | 89.2 | Confident | 135 Ų | 135 | 100.9 Ų | 100.9 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 176 | -177.2 | 176.6 | -170 | 0 | 0 | 111.6 | K27 L33 S34 Q35 | K27-E31 WeakPolarHBondContact O-CB 3.37Å; K27-E31 PolarHBondContact O-N 2.93Å; E31-L33 PolarHBondContact O-N 2.97Å; E31-S34 WeakPolarHBondContact CA-OG 3.29Å; E31-S34 PolarHBondContact O-N 3.11Å; E31-S34 VanDerWaalsContact O-N 3.08Å; E31-S34 PolarHBondContact O-OG 3.17Å; E31-Q35 PolarHBondContact O-N 3.1Å |
| 32 | R | 88.7 | Confident | 89.3 | Confident | 140 Ų | 140 | 98.7 Ų | 98.7 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.5 | -34.3 | 173 | -174.9 | -173.7 | 172.1 | -73.1 | 1 | 112 | A28 M36 | A28-R32 WeakPolarHBondContact O-CB 3.41Å; A28-R32 PolarHBondContact O-N 3.2Å; R32-M36 VanDerWaalsContact O-CG 3.23Å; R32-M36 WeakPolarHBondContact O-CG 3.44Å |
| 33 | L | 87.3 | Confident | 89.5 | Confident | 45 Ų | 45 | 97.1 Ų | 97.1 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -74.1 | -38.3 | 173.3 | -73.7 | 168.9 | 0 | 0 | 0 | 112 | E29 R30 E31 M36 R41 | E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 WeakPolarHBondContact O-CG 3.34Å; E29-L33 PolarHBondContact O-N 3.46Å; R30-L33 PolarHBondContact O-N 2.88Å; E31-L33 PolarHBondContact O-N 2.97Å; L33-M36 HydrophobicContact CD2-SD 4.35Å; L33-M36 WeakPolarHBondContact O-CB 3.36Å; L33-M36 PolarHBondContact O-N 3.46Å; L33-R41 VanDerWaalsContact O-CD 3.26Å; L33-R41 WeakPolarHBondContact O-CD 3.23Å; L33-R41 VanDerWaalsContact O-CG 3.23Å; L33-R41 WeakPolarHBondContact O-CG 3.42Å; L33-R41 PolarHBondContact O-NE 3.15Å |
| 34 | S | 87.6 | Confident | 89.6 | Confident | 71 Ų | 71 | 91.4 Ų | 91.4 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.5 | -34.8 | 177.6 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | R30 E31 M36 R41 | R30-S34 PolarHBondContact O-N 3.36Å; E31-S34 WeakPolarHBondContact CA-OG 3.29Å; E31-S34 PolarHBondContact O-N 3.11Å; E31-S34 VanDerWaalsContact O-N 3.08Å; E31-S34 PolarHBondContact O-OG 3.17Å; S34-M36 PolarHBondContact O-N 3.2Å; S34-R41 PolarHBondContact O-NH2 2.88Å |
| 35 | Q | 92 | Very high | 89.6 | Confident | 169 Ų | 169 | 95.8 Ų | 95.8 | 79% | 0.79 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.6 | -25.1 | 171.9 | -162.1 | -172.1 | 30.6 | 0 | 0 | 112.9 | E31 | E31-Q35 PolarHBondContact O-N 3.1Å |
| 36 | M | 90.8 | Very high | 89.8 | Confident | 21 Ų | 21 | 93.7 Ų | 93.7 | 10% | 0.103 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -79.6 | 140.1 | 178 | -67.8 | 169.1 | 68.6 | 0 | 0 | 111.3 | R32 L33 S34 K40 R41 L44 | R32-M36 VanDerWaalsContact O-CG 3.23Å; R32-M36 WeakPolarHBondContact O-CG 3.44Å; L33-M36 HydrophobicContact CD2-SD 4.35Å; L33-M36 WeakPolarHBondContact O-CB 3.36Å; L33-M36 PolarHBondContact O-N 3.46Å; S34-M36 PolarHBondContact O-N 3.2Å; M36-K40 HydrophobicContact CE-CB 4.35Å; M36-K40 HydrophobicContact CE-CD 3.75Å; M36-K40 HydrophobicContact CE-CG 3.65Å; M36-R41 HydrophobicContact CB-CG 4.25Å; M36-R41 WeakPolarHBondContact O-CG 3.37Å; M36-R41 PolarHBondContact O-NE 3.32Å; M36-R41 PolarHBondContact O-NH2 2.85Å; M36-L44 HydrophobicContact CE-CD1 3.66Å; M36-L44 HydrophobicContact CE-CD2 3.84Å; M36-L44 HydrophobicContact CE-CG 4.35Å |
| 37 | P | 91.1 | Very high | 90 | Very high | 68 Ų | 68 | 97 Ų | 97 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | | | trans | -56.6 | 148.3 | 174.2 | -28.2 | 35.8 | 0 | 0 | 0 | 113.3 | W39 K40 R41 | P37-W39 VanDerWaalsContact C-N 3.32Å; P37-W39 PolarHBondContact O-N 3.5Å; P37-K40 WeakPolarHBondContact O-CA 3.27Å; P37-K40 VanDerWaalsContact O-CB 3.27Å; P37-K40 WeakPolarHBondContact O-CB 3.38Å; P37-K40 PolarHBondContact O-N 3.33Å; P37-R41 PolarHBondContact O-N 3.37Å |
| 38 | A | 90.4 | Very high | 89.8 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 59% | 0.587 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -54.7 | -41.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | K40 R41 G42 | A38-K40 VanDerWaalsContact C-N 3.25Å; A38-K40 PolarHBondContact O-N 2.84Å; A38-R41 WeakPolarHBondContact O-CB 3.27Å; A38-R41 PolarHBondContact O-N 2.98Å; A38-G42 PolarHBondContact O-N 2.74Å |
| 39 | W | 92.7 | Very high | 89.5 | Confident | 175 Ų | 175 | 95.9 Ų | 95.9 | 66% | 0.663 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.8 | -35.4 | 175.8 | 72.2 | -100.3 | 0 | 0 | 0 | 112.5 | P37 L43 | P37-W39 VanDerWaalsContact C-N 3.32Å; P37-W39 PolarHBondContact O-N 3.5Å; W39-L43 HydrophobicContact CZ3-CD2 4.24Å; W39-L43 VanDerWaalsContact O-CB 3.3Å; W39-L43 WeakPolarHBondContact O-CB 3.26Å; W39-L43 PolarHBondContact O-N 2.85Å |
| 40 | K | 95.4 | Very high | 89.4 | Confident | 92 Ų | 92 | 100.1 Ų | 100.1 | 40% | 0.4 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.2 | -38.3 | 179.3 | -155.3 | 179.8 | -177 | 175.9 | 0 | 110.7 | M36 P37 A38 L43 L44 | M36-K40 HydrophobicContact CE-CB 4.35Å; M36-K40 HydrophobicContact CE-CD 3.75Å; M36-K40 HydrophobicContact CE-CG 3.65Å; P37-K40 WeakPolarHBondContact O-CA 3.27Å; P37-K40 VanDerWaalsContact O-CB 3.27Å; P37-K40 WeakPolarHBondContact O-CB 3.38Å; P37-K40 PolarHBondContact O-N 3.33Å; A38-K40 VanDerWaalsContact C-N 3.25Å; A38-K40 PolarHBondContact O-N 2.84Å; K40-L43 PolarHBondContact O-N 2.82Å; K40-L44 HydrophobicContact CG-CD1 4.46Å; K40-L44 VanDerWaalsContact O-CD1 3.26Å; K40-L44 WeakPolarHBondContact O-CD1 3.48Å; K40-L44 PolarHBondContact O-N 3.29Å |
| 41 | R | 93 | Very high | 88.7 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.6 | -57.8 | 169.4 | -59.3 | -177.7 | -158.9 | 152.8 | 6.2 | 110.5 | L33 S34 M36 P37 A38 L43 L44 E45 | L33-R41 VanDerWaalsContact O-CD 3.26Å; L33-R41 WeakPolarHBondContact O-CD 3.23Å; L33-R41 VanDerWaalsContact O-CG 3.23Å; L33-R41 WeakPolarHBondContact O-CG 3.42Å; L33-R41 PolarHBondContact O-NE 3.15Å; S34-R41 PolarHBondContact O-NH2 2.88Å; M36-R41 HydrophobicContact CB-CG 4.25Å; M36-R41 WeakPolarHBondContact O-CG 3.37Å; M36-R41 PolarHBondContact O-NE 3.32Å; M36-R41 PolarHBondContact O-NH2 2.85Å; P37-R41 PolarHBondContact O-N 3.37Å; A38-R41 WeakPolarHBondContact O-CB 3.27Å; A38-R41 PolarHBondContact O-N 2.98Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.7Å; R41-L44 CarbonylContact O-C 3.56Å; R41-L44 PolarHBondContact O-N 3.39Å; R41-E45 WeakPolarHBondContact O-CB 3.3Å; R41-E45 PolarHBondContact O-N 2.96Å |
| 42 | G | 89.7 | Confident | 87.3 | Confident | 12 Ų | 12 | 95.8 Ų | 95.8 | 12% | 0.124 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.7 | -30 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A38 R46 | A38-G42 PolarHBondContact O-N 2.74Å; G42-R46 VanDerWaalsContact O-CB 3.32Å; G42-R46 WeakPolarHBondContact O-CB 3.42Å; G42-R46 VanDerWaalsContact O-CG 3.24Å; G42-R46 WeakPolarHBondContact O-CG 3.4Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 PolarHBondContact O-NE 2.83Å |
| 43 | L | 90.9 | Very high | 85.8 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 28% | 0.283 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 171.7 | -177.4 | 61 | 0 | 0 | 0 | 112.5 | W39 K40 R41 R47 | W39-L43 HydrophobicContact CZ3-CD2 4.24Å; W39-L43 VanDerWaalsContact O-CB 3.3Å; W39-L43 WeakPolarHBondContact O-CB 3.26Å; W39-L43 PolarHBondContact O-N 2.85Å; K40-L43 PolarHBondContact O-N 2.82Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.7Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.32Å; L43-R47 VanDerWaalsContact O-N 3.14Å |
| 44 | L | 87.8 | Confident | 84 | Confident | 40 Ų | 40 | 95.8 Ų | 95.8 | 21% | 0.209 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -70 | -40 | 173.1 | -95.7 | 78.2 | 0 | 0 | 0 | 111.9 | M36 K40 R41 R47 R48 | M36-L44 HydrophobicContact CE-CD1 3.66Å; M36-L44 HydrophobicContact CE-CD2 3.84Å; M36-L44 HydrophobicContact CE-CG 4.35Å; K40-L44 HydrophobicContact CG-CD1 4.46Å; K40-L44 VanDerWaalsContact O-CD1 3.26Å; K40-L44 WeakPolarHBondContact O-CD1 3.48Å; K40-L44 PolarHBondContact O-N 3.29Å; R41-L44 CarbonylContact O-C 3.56Å; R41-L44 PolarHBondContact O-N 3.39Å; L44-R47 CarbonylContact O-C 3.6Å; L44-R47 WeakPolarHBondContact O-CA 3.39Å; L44-R47 WeakPolarHBondContact O-CB 3.31Å; L44-R47 PolarHBondContact O-N 3.27Å; L44-R48 WeakPolarHBondContact O-CG 3.42Å; L44-R48 PolarHBondContact O-N 3.39Å |
| 45 | E | 88.2 | Confident | 82.2 | Confident | 129 Ų | 129 | 97.3 Ų | 97.3 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -48.6 | 176.4 | -175.8 | 172.3 | -145.5 | 0 | 0 | 111.3 | R41 R47 R48 A49 | R41-E45 WeakPolarHBondContact O-CB 3.3Å; R41-E45 PolarHBondContact O-N 2.96Å; E45-R47 PolarHBondContact O-N 3.14Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.15Å; E45-A49 WeakPolarHBondContact O-CB 3.43Å; E45-A49 PolarHBondContact O-N 2.86Å |
| 46 | R | 89.8 | Confident | 80.1 | Confident | 148 Ų | 148 | 92.4 Ų | 92.4 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.4 | -23.8 | 171 | -72.1 | -176.2 | -63 | -102.4 | 5.4 | 113.4 | G42 K50 | G42-R46 VanDerWaalsContact O-CB 3.32Å; G42-R46 WeakPolarHBondContact O-CB 3.42Å; G42-R46 VanDerWaalsContact O-CG 3.24Å; G42-R46 WeakPolarHBondContact O-CG 3.4Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 PolarHBondContact O-NE 2.83Å; R46-K50 VanDerWaalsContact O-CB 3.31Å; R46-K50 WeakPolarHBondContact O-CB 3.33Å; R46-K50 WeakPolarHBondContact O-CD 3.3Å; R46-K50 WeakPolarHBondContact O-CG 3.45Å; R46-K50 PolarHBondContact O-N 3.3Å |
| 47 | R | 90.6 | Very high | 77.6 | Confident | 144 Ų | 144 | 98.1 Ų | 98.1 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -81.8 | -42.5 | 172.2 | -76 | 169 | 178.1 | 174.5 | 0 | 112.1 | L43 L44 E45 K50 L51 | L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.32Å; L43-R47 VanDerWaalsContact O-N 3.14Å; L44-R47 CarbonylContact O-C 3.6Å; L44-R47 WeakPolarHBondContact O-CA 3.39Å; L44-R47 WeakPolarHBondContact O-CB 3.31Å; L44-R47 PolarHBondContact O-N 3.27Å; E45-R47 PolarHBondContact O-N 3.14Å; R47-K50 PolarHBondContact O-N 3.48Å; R47-L51 WeakPolarHBondContact O-CB 3.46Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.27Å; R47-L51 PolarHBondContact O-N 3.32Å |
| 48 | R | 86.2 | Confident | 75.5 | Confident | 75 Ų | 75 | 99.7 Ų | 99.7 | 28% | 0.283 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.7 | -51.4 | 174.3 | -74.8 | -169.9 | -171 | -137.2 | 5.5 | 110.2 | E29 L44 E45 K50 L51 G52 L53 | E29-R48 IonicContact OE2-CZ 2.6Å; E29-R48 IonicContact OE2-NH1 3.95Å; E29-R48 PolarHBondContact OE2-NH1 3.48Å; E29-R48 IonicContact OE2-NH2 3.91Å; E29-R48 PolarHBondContact OE2-NH2 2.94Å; L44-R48 WeakPolarHBondContact O-CG 3.42Å; L44-R48 PolarHBondContact O-N 3.39Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.15Å; R48-K50 PolarHBondContact O-N 3.17Å; R48-L51 CarbonylContact O-C 3.51Å; R48-L51 PolarHBondContact O-N 3.28Å; R48-G52 PolarHBondContact O-N 3.13Å; R48-L53 HydrophobicContact CB-CB 4.4Å; R48-L53 PolarHBondContact O-N 2.97Å |
| 49 | A | 83 | Confident | 72.9 | Confident | 78 Ų | 78 | 101.6 Ų | 101.6 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E45 L51 G52 | E45-A49 WeakPolarHBondContact O-CB 3.43Å; E45-A49 PolarHBondContact O-N 2.86Å; A49-L51 PolarHBondContact O-N 3.43Å; A49-G52 PolarHBondContact O-N 3.34Å |
| 50 | K | 85.7 | Confident | 70.5 | Confident | 181 Ų | 181 | 98 Ų | 98 | 79% | 0.787 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.2 | -16.2 | 176 | -79.1 | 178.3 | -179.7 | -169.8 | 0 | 114.6 | R46 R47 R48 | R46-K50 VanDerWaalsContact O-CB 3.31Å; R46-K50 WeakPolarHBondContact O-CB 3.33Å; R46-K50 WeakPolarHBondContact O-CD 3.3Å; R46-K50 WeakPolarHBondContact O-CG 3.45Å; R46-K50 PolarHBondContact O-N 3.3Å; R47-K50 PolarHBondContact O-N 3.48Å; R48-K50 PolarHBondContact O-N 3.17Å |
| 51 | L | 71.8 | Confident | 67.9 | Low | 127 Ų | 127 | 100.1 Ų | 100.1 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 6.3 | 176.6 | -68.1 | 170.6 | 0 | 0 | 0 | 112.6 | R47 R48 A49 L53 | R47-L51 WeakPolarHBondContact O-CB 3.46Å; R47-L51 VanDerWaalsContact O-CG 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.27Å; R47-L51 PolarHBondContact O-N 3.32Å; R48-L51 CarbonylContact O-C 3.51Å; R48-L51 PolarHBondContact O-N 3.28Å; A49-L51 PolarHBondContact O-N 3.43Å; L51-L53 HydrophobicContact CB-CD1 4.2Å; L51-L53 HydrophobicContact CB-CG 4.08Å; L51-L53 PolarHBondContact O-N 2.99Å |
| 52 | G | 60 | Low | 65.4 | Low | 66 Ų | 66 | 103.6 Ų | 103.6 | 68% | 0.68 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 7.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R48 A49 S54 | R48-G52 PolarHBondContact O-N 3.13Å; A49-G52 PolarHBondContact O-N 3.34Å; G52-S54 PolarHBondContact O-N 3.1Å |
| 53 | L | 58 | Low | 63.1 | Low | 106 Ų | 106 | 105.8 Ų | 105.8 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | | | trans | -83 | 83.9 | -177.2 | -63.1 | 179 | 0 | 0 | 0 | 110.3 | R48 L51 | R48-L53 HydrophobicContact CB-CB 4.4Å; R48-L53 PolarHBondContact O-N 2.97Å; L51-L53 HydrophobicContact CB-CD1 4.2Å; L51-L53 HydrophobicContact CB-CG 4.08Å; L51-L53 PolarHBondContact O-N 2.99Å |
| 54 | S | 49.5 | Very low | 60.5 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | | | trans | -53.2 | 128.1 | 173.2 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | G52 G56 | G52-S54 PolarHBondContact O-N 3.1Å; S54-G56 PolarHBondContact O-N 3.36Å |
| 55 | P | 49.1 | Very low | 58.3 | Low | 102 Ų | 102 | 113.9 Ų | 113.9 | 66% | 0.662 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 82.5 | -177.7 | 33.2 | -35 | 0 | 0 | 0 | 111.5 | | |
| 56 | G | 49.5 | Very low | 56.3 | Low | 67 Ų | 67 | 115.9 Ų | 115.9 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.7 | -5.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | S54 P58 | S54-G56 PolarHBondContact O-N 3.36Å; G56-P58 WeakPolarHBondContact O-CD 3.41Å |
| 57 | E | 38.3 | Very low | 53.8 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 66% | 0.659 | 68% | 0.679 | S | S | * | * | | | trans | -87.4 | 117.7 | -178.1 | -160 | 169.3 | -172.2 | 0 | 0 | 111.1 | | |
| 58 | P | 45.3 | Very low | 52 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 66% | 0.656 | 68% | 0.683 | S | S | * | * | | | trans | -70.3 | 133.3 | 170.5 | 30.1 | -32.4 | 0 | 0 | 0 | 109.1 | G56 P60 | G56-P58 WeakPolarHBondContact O-CD 3.41Å; P58-P60 VanDerWaalsContact O-N 3.09Å |
| 59 | S | 37 | Very low | 50.6 | Low | 110 Ų | 110 | 111.7 Ų | 111.7 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | | | trans | -25.6 | 109.4 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 112.9 | V61 | S59-V61 PolarHBondContact O-N 3.25Š|
| 60 | P | 41.6 | Very low | 49.3 | Very low | 101 Ų | 101 | 113 Ų | 113 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | | | trans | -62.1 | 115.4 | -174 | 23.1 | -33 | 0 | 0 | 0 | 109.9 | P58 L62 | P58-P60 VanDerWaalsContact O-N 3.09Å; P60-L62 PolarHBondContact O-N 2.79Å; P60-L62 VanDerWaalsContact O-N 3.17Å |
| 61 | V | 40.5 | Very low | 47.8 | Very low | 136 Ų | 136 | 108.5 Ų | 108.5 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | | | trans | -63.9 | 116.1 | 171.1 | 173.2 | 0 | 0 | 0 | 0 | 107 | S59 G63 | S59-V61 PolarHBondContact O-N 3.25Å; V61-G63 PolarHBondContact O-N 3.08Å |
| 62 | L | 41.2 | Very low | 47.2 | Very low | 178 Ų | 178 | 107.1 Ų | 107.1 | 93% | 0.932 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -56.2 | 106.5 | -180 | -71.9 | 168 | 0 | 0 | 0 | 110.5 | P60 | P60-L62 PolarHBondContact O-N 2.79Å; P60-L62 VanDerWaalsContact O-N 3.17Å |
| 63 | G | 40.6 | Very low | 47.1 | Very low | 59 Ų | 59 | 108.2 Ų | 108.2 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | | | trans | 175.8 | 116.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V61 | V61-G63 PolarHBondContact O-N 3.08Š|
| 64 | T | 37.7 | Very low | 47 | Very low | 133 Ų | 133 | 110.1 Ų | 110.1 | 82% | 0.816 | 69% | 0.693 | S | S | * | * | | | trans | 87.9 | 93.2 | 155.7 | -34.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 65 | V | 41.5 | Very low | 47.4 | Very low | 131 Ų | 131 | 108.5 Ų | 108.5 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | | | trans | 71.5 | 134 | 139.7 | 179.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 66 | E | 44.9 | Very low | 47.8 | Very low | 171 Ų | 171 | 105.7 Ų | 105.7 | 80% | 0.799 | 67% | 0.667 | S | S | * | * | | | cis | -150.3 | -178.7 | 29.4 | -141.9 | -116.4 | 112 | 0 | 0 | 113.8 | | |
| 67 | A | 37.7 | Very low | 48.1 | Very low | 83 Ų | 83 | 106.3 Ų | 106.3 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 48.9 | 88.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 68 | G | 52.3 | Low | 49.3 | Very low | 61 Ų | 61 | 106.9 Ų | 106.9 | 63% | 0.629 | 66% | 0.664 | S | S | * | * | | | trans | 149.2 | 128.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P70 | G68-P70 VanDerWaalsContact O-CD 3.24Å; G68-P70 WeakPolarHBondContact O-CD 2.98Å |
| 69 | P | 56.9 | Low | 49.9 | Very low | 134 Ų | 134 | 108.7 Ų | 108.7 | 87% | 0.87 | 67% | 0.667 | S | S | * | * | | | trans | -74.8 | 114.5 | 172.4 | 29.5 | -31.1 | 0 | 0 | 0 | 109.7 | | |
| 70 | P | 55.2 | Low | 50.9 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | | | trans | -74.5 | 140.4 | 174 | 32.3 | -33.5 | 0 | 0 | 0 | 109.7 | G68 | G68-P70 VanDerWaalsContact O-CD 3.24Å; G68-P70 WeakPolarHBondContact O-CD 2.98Å |
| 71 | D | 54.3 | Low | 51.9 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 47% | 0.465 | 65% | 0.647 | S | S | . | * | | | trans | -64.5 | 126.6 | 174.4 | -165.3 | -57.1 | 0 | 0 | 0 | 109.6 | D73 E74 S75 | D71-D73 PolarHBondContact O-N 3.37Å; D71-D73 PolarHBondContact OD1-N 3.49Å; D71-E74 HydrophobicContact CB-CB 4.42Å; D71-E74 HydrophobicContact CB-CG 4.12Å; D71-E74 PolarHBondContact O-N 2.95Å; D71-S75 PolarHBondContact O-N 3.29Å; D71-S75 PolarHBondContact O-OG 3.33Å |
| 72 | P | 59.6 | Low | 53.1 | Low | 99 Ų | 99 | 107.9 Ų | 107.9 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.7 | -22.8 | -176.1 | 26 | -35.2 | 0 | 0 | 0 | 113.4 | A76 | P72-A76 WeakPolarHBondContact O-CB 3.05Å; P72-A76 PolarHBondContact O-N 2.96Å |
| 73 | D | 58.2 | Low | 54.5 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -82.9 | -30.5 | 177.7 | -89.9 | -39.9 | 0 | 0 | 0 | 113 | D71 R89 | D71-D73 PolarHBondContact O-N 3.37Å; D71-D73 PolarHBondContact OD1-N 3.49Å; D73-R89 IonicContact OD1-CZ 3.05Å; D73-R89 IonicContact OD1-NH1 3.38Å; D73-R89 PolarHBondContact OD1-NH1 2.84Å; D73-R89 IonicContact OD1-NH2 2.72Å; D73-R89 PolarHBondContact OD1-NH2 3.39Å; D73-R89 IonicContact OD2-NH2 2.73Å |
| 74 | E | 55.9 | Low | 56.3 | Low | 147 Ų | 147 | 102 Ų | 102 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.2 | -46 | 176.8 | -70.8 | -168.9 | -175.5 | 0 | 0 | 112.1 | D71 V77 | D71-E74 HydrophobicContact CB-CB 4.42Å; D71-E74 HydrophobicContact CB-CG 4.12Å; D71-E74 PolarHBondContact O-N 2.95Å; E74-V77 PolarHBondContact O-N 3.09Å |
| 75 | S | 58.4 | Low | 58.2 | Low | 45 Ų | 45 | 100.1 Ų | 100.1 | 32% | 0.315 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.9 | -30.4 | -179.4 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | D71 V77 L78 L79 | D71-S75 PolarHBondContact O-N 3.29Å; D71-S75 PolarHBondContact O-OG 3.33Å; S75-V77 VanDerWaalsContact C-N 3.33Å; S75-V77 PolarHBondContact O-N 3.32Å; S75-L78 PolarHBondContact O-N 3.19Å; S75-L79 WeakPolarHBondContact O-CB 3.36Å; S75-L79 WeakPolarHBondContact O-CG 3.49Å; S75-L79 PolarHBondContact O-N 2.9Å |
| 76 | A | 56.1 | Low | 59.9 | Low | 42 Ų | 42 | 100.3 Ų | 100.3 | 35% | 0.347 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.6 | -31.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P72 | P72-A76 WeakPolarHBondContact O-CB 3.05Å; P72-A76 PolarHBondContact O-N 2.96Å |
| 77 | V | 57.4 | Low | 61.7 | Low | 80 Ų | 80 | 98.6 Ų | 98.6 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -76.5 | -30.2 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | E74 S75 F90 | E74-V77 PolarHBondContact O-N 3.09Å; S75-V77 VanDerWaalsContact C-N 3.33Å; S75-V77 PolarHBondContact O-N 3.32Å; V77-F90 HydrophobicContact CG2-CZ 4.27Å |
| 78 | L | 61.9 | Low | 63.8 | Low | 154 Ų | 154 | 96.7 Ų | 96.7 | 81% | 0.806 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -85.7 | -22.5 | 178.3 | -64.6 | 175.5 | 0 | 0 | 0 | 113.5 | S75 | S75-L78 PolarHBondContact O-N 3.19Å |
| 79 | L | 58.6 | Low | 65.4 | Low | 139 Ų | 139 | 98.7 Ų | 98.7 | 73% | 0.728 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -93 | 7.8 | 176.7 | -71.2 | 170.1 | 0 | 0 | 0 | 114 | S75 A81 | S75-L79 WeakPolarHBondContact O-CB 3.36Å; S75-L79 WeakPolarHBondContact O-CG 3.49Å; S75-L79 PolarHBondContact O-N 2.9Å; L79-A81 PolarHBondContact O-N 3.12Å |
| 80 | E | 59.1 | Low | 66.7 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 30% | 0.299 | 54% | 0.54 | S | S | . | . | | | trans | -73.8 | 76.3 | 176.5 | -166 | 164.8 | -127.6 | 0 | 0 | 111.4 | N88 R89 F90 | E80-N88 VanDerWaalsContact OE1-CA 3.3Å; E80-N88 WeakPolarHBondContact OE1-CA 3.39Å; E80-N88 VanDerWaalsContact OE1-CG 3.3Å; E80-N88 PolarHBondContact OE1-ND2 3.15Å; E80-N88 PolarHBondContact OE2-ND2 3.18Å; E80-R89 PolarHBondContact OE1-N 3.41Å; E80-F90 WeakPolarHBondContact OE2-CD2 3.43Å |
| 81 | A | 62.1 | Low | 68 | Low | 85 Ų | 85 | 94.6 Ų | 94.6 | 70% | 0.702 | 52% | 0.519 | S | S | * | . | | | trans | -55 | 149.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | L79 G83 | L79-A81 PolarHBondContact O-N 3.12Å; A81-G83 PolarHBondContact O-N 3.31Å |
| 82 | I | 64.4 | Low | 69.6 | Low | 181 Ų | 181 | 98.3 Ų | 98.3 | 93% | 0.928 | 53% | 0.526 | S | S | * | . | | | trans | -74.9 | 69 | -174 | -47.7 | 174.6 | 0 | 0 | 0 | 110.7 | | |
| 83 | G | 71.8 | Confident | 71.1 | Confident | 37 Ų | 37 | 98 Ų | 98 | 38% | 0.381 | 52% | 0.516 | S | S | . | . | | | trans | -73.3 | 175.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A81 V85 | A81-G83 PolarHBondContact O-N 3.31Å; G83-V85 PolarHBondContact O-N 3.27Å |
| 84 | P | 78.2 | Confident | 72.5 | Confident | 76 Ų | 76 | 98.3 Ų | 98.3 | 49% | 0.494 | 52% | 0.515 | S | S | . | . | | | trans | -50.8 | 133.3 | 172.5 | -26.2 | 34.1 | 0 | 0 | 0 | 111.4 | H86 Q87 | P84-H86 PolarHBondContact O-N 3.22Å; P84-Q87 WeakPolarHBondContact O-CB 3.35Å; P84-Q87 PolarHBondContact O-N 2.92Å |
| 85 | V | 77 | Confident | 74.2 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -47 | -33.8 | -172.6 | 178.3 | 0 | 0 | 0 | 0 | 113.5 | G83 Q87 N88 I91 | G83-V85 PolarHBondContact O-N 3.27Å; V85-Q87 VanDerWaalsContact C-N 3.27Å; V85-Q87 PolarHBondContact O-N 3.18Å; V85-N88 WeakPolarHBondContact O-CB 3.3Å; V85-N88 PolarHBondContact O-N 2.94Å; V85-I91 HydrophobicContact CG1-CD1 3.84Å; V85-I91 HydrophobicContact CG1-CG1 3.78Å; V85-I91 HydrophobicContact CG1-CG2 4.19Å; V85-I91 VanDerWaalsContact O-CB 3.3Å; V85-I91 WeakPolarHBondContact O-CB 3.4Å; V85-I91 WeakPolarHBondContact O-CG1 3.36Å; V85-I91 WeakPolarHBondContact O-CG2 3.11Å |
| 86 | H | 77.9 | Confident | 75.7 | Confident | 135 Ų | 135 | 101.2 Ų | 101.2 | 63% | 0.625 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -64.9 | -19.7 | 177.3 | -46.4 | 111.6 | 0 | 0 | 0 | 115.7 | P84 R92 | P84-H86 PolarHBondContact O-N 3.22Å; H86-R92 WeakPolarHBondContact O-CG 3.39Å |
| 87 | Q | 82 | Confident | 77.4 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -87.7 | -26.5 | -179.5 | -63.1 | -177 | -6.9 | 0 | 0 | 112.7 | P84 V85 | P84-Q87 WeakPolarHBondContact O-CB 3.35Å; P84-Q87 PolarHBondContact O-N 2.92Å; V85-Q87 VanDerWaalsContact C-N 3.27Å; V85-Q87 PolarHBondContact O-N 3.18Å |
| 88 | N | 82.7 | Confident | 79 | Confident | 44 Ų | 44 | 105 Ų | 105 | 24% | 0.235 | 52% | 0.523 | C | S | . | . | | | trans | -55.1 | 133.8 | -178.2 | 176.7 | -73.3 | 0 | 0 | 0 | 111.7 | E80 V85 F90 I91 R92 | E80-N88 VanDerWaalsContact OE1-CA 3.3Å; E80-N88 WeakPolarHBondContact OE1-CA 3.39Å; E80-N88 VanDerWaalsContact OE1-CG 3.3Å; E80-N88 PolarHBondContact OE1-ND2 3.15Å; E80-N88 PolarHBondContact OE2-ND2 3.18Å; V85-N88 WeakPolarHBondContact O-CB 3.3Å; V85-N88 PolarHBondContact O-N 2.94Å; N88-F90 VanDerWaalsContact C-N 3.35Å; N88-F90 PolarHBondContact O-N 3Å; N88-F90 WeakPolarHBondContact OD1-CA 3.19Å; N88-F90 VanDerWaalsContact OD1-CB 3.31Å; N88-F90 WeakPolarHBondContact OD1-CB 3.38Å; N88-F90 PolarHBondContact OD1-N 3.43Å; N88-I91 HydrophobicContact CB-CB 4.11Å; N88-I91 HydrophobicContact CB-CG1 3.91Å; N88-I91 PolarHBondContact O-N 3.4Å; N88-I91 PolarHBondContact OD1-N 3.29Å; N88-R92 WeakPolarHBondContact O-CG 3.49Å; N88-R92 PolarHBondContact O-N 2.73Å |
| 89 | R | 85.8 | Confident | 80.4 | Confident | 102 Ų | 102 | 102.6 Ų | 102.6 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | -175.6 | -176.4 | 176.5 | 177.9 | -178 | -2.3 | 111.1 | D73 E80 R92 Q93 | D73-R89 IonicContact OD1-CZ 3.05Å; D73-R89 IonicContact OD1-NH1 3.38Å; D73-R89 PolarHBondContact OD1-NH1 2.84Å; D73-R89 IonicContact OD1-NH2 2.72Å; D73-R89 PolarHBondContact OD1-NH2 3.39Å; D73-R89 IonicContact OD2-NH2 2.73Å; E80-R89 PolarHBondContact OE1-N 3.41Å; R89-R92 PolarHBondContact O-N 2.96Å; R89-Q93 WeakPolarHBondContact O-CB 3.13Å; R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.3Å; R89-Q93 PolarHBondContact O-N 2.81Å |
| 90 | F | 83.6 | Confident | 82 | Confident | 107 Ų | 107 | 101 Ų | 101 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.7 | -58.3 | -85.1 | 0 | 0 | 0 | 111.9 | V77 E80 N88 R92 Q93 E94 | V77-F90 HydrophobicContact CG2-CZ 4.27Å; E80-F90 WeakPolarHBondContact OE2-CD2 3.43Å; N88-F90 VanDerWaalsContact C-N 3.35Å; N88-F90 PolarHBondContact O-N 3Å; N88-F90 WeakPolarHBondContact OD1-CA 3.19Å; N88-F90 VanDerWaalsContact OD1-CB 3.31Å; N88-F90 WeakPolarHBondContact OD1-CB 3.38Å; N88-F90 PolarHBondContact OD1-N 3.43Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.28Å; F90-Q93 PolarHBondContact O-N 2.89Å; F90-E94 VanDerWaalsContact O-CB 3.26Å; F90-E94 WeakPolarHBondContact O-CB 3.38Å; F90-E94 PolarHBondContact O-N 3.4Å |
| 91 | I | 83.5 | Confident | 83.5 | Confident | 47 Ų | 47 | 103.3 Ų | 103.3 | 24% | 0.241 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.5 | -63.7 | -72.2 | 0 | 0 | 0 | 111.7 | V85 N88 R95 | V85-I91 HydrophobicContact CG1-CD1 3.84Å; V85-I91 HydrophobicContact CG1-CG1 3.78Å; V85-I91 HydrophobicContact CG1-CG2 4.19Å; V85-I91 VanDerWaalsContact O-CB 3.3Å; V85-I91 WeakPolarHBondContact O-CB 3.4Å; V85-I91 WeakPolarHBondContact O-CG1 3.36Å; V85-I91 WeakPolarHBondContact O-CG2 3.11Å; N88-I91 HydrophobicContact CB-CB 4.11Å; N88-I91 HydrophobicContact CB-CG1 3.91Å; N88-I91 PolarHBondContact O-N 3.4Å; N88-I91 PolarHBondContact OD1-N 3.29Å; I91-R95 VanDerWaalsContact O-CB 3.23Å; I91-R95 WeakPolarHBondContact O-CB 3.25Å; I91-R95 PolarHBondContact O-N 3.24Å |
| 92 | R | 88.2 | Confident | 84.7 | Confident | 164 Ų | 164 | 104.9 Ų | 104.9 | 62% | 0.619 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.6 | -44.3 | 174.8 | -71.2 | 177.2 | 63.3 | -159.7 | -2.3 | 111.6 | H86 N88 R89 F90 Q96 | H86-R92 WeakPolarHBondContact O-CG 3.39Å; N88-R92 WeakPolarHBondContact O-CG 3.49Å; N88-R92 PolarHBondContact O-N 2.73Å; R89-R92 PolarHBondContact O-N 2.96Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.28Å; R92-Q96 WeakPolarHBondContact O-CB 3.32Å; R92-Q96 PolarHBondContact O-N 3.21Å |
| 93 | Q | 89.8 | Confident | 85.8 | Confident | 92 Ų | 92 | 102.5 Ų | 102.5 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 176.1 | -74.4 | 175.4 | -14.8 | 0 | 0 | 112.3 | R89 F90 Q96 Q97 | R89-Q93 WeakPolarHBondContact O-CB 3.13Å; R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.3Å; R89-Q93 PolarHBondContact O-N 2.81Å; F90-Q93 PolarHBondContact O-N 2.89Å; Q93-Q96 CarbonylContact O-C 3.55Å; Q93-Q96 PolarHBondContact O-N 3.35Å; Q93-Q97 WeakPolarHBondContact O-CB 3.39Å; Q93-Q97 PolarHBondContact O-N 3.46Å |
| 94 | E | 88.8 | Confident | 86.4 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.7 | -167.4 | -159.8 | 178.5 | 0 | 0 | 110.2 | F90 Q96 Q97 Q98 | F90-E94 VanDerWaalsContact O-CB 3.26Å; F90-E94 WeakPolarHBondContact O-CB 3.38Å; F90-E94 PolarHBondContact O-N 3.4Å; E94-Q96 VanDerWaalsContact C-N 3.3Å; E94-Q96 PolarHBondContact O-N 3.16Å; E94-Q97 CarbonylContact O-C 3.54Å; E94-Q97 PolarHBondContact O-N 3.27Å; E94-Q97 VanDerWaalsContact O-N 3.08Å; E94-Q98 VanDerWaalsContact CD-NE2 3.32Å; E94-Q98 HydrophobicContact CG-CG 4.39Å; E94-Q98 WeakPolarHBondContact O-CB 3.39Å; E94-Q98 WeakPolarHBondContact O-CG 3.5Å; E94-Q98 PolarHBondContact O-N 2.85Å; E94-Q98 PolarHBondContact OE1-NE2 3.35Å |
| 95 | R | 90.6 | Very high | 86.6 | Confident | 135 Ų | 135 | 108.5 Ų | 108.5 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 174.5 | -174.8 | 177.6 | -61.2 | -113 | -4 | 111.9 | I91 Q97 Q99 | I91-R95 VanDerWaalsContact O-CB 3.23Å; I91-R95 WeakPolarHBondContact O-CB 3.25Å; I91-R95 PolarHBondContact O-N 3.24Å; R95-Q97 VanDerWaalsContact C-N 3.35Å; R95-Q99 WeakPolarHBondContact O-CB 3.37Å; R95-Q99 VanDerWaalsContact O-CG 3.29Å; R95-Q99 WeakPolarHBondContact O-CG 3.43Å; R95-Q99 PolarHBondContact O-N 2.6Å |
| 96 | Q | 91.1 | Very high | 87 | Confident | 117 Ų | 117 | 110.7 Ų | 110.7 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -33.5 | 175.3 | -166.8 | -175.4 | -1.1 | 0 | 0 | 112.2 | R92 Q93 E94 Q100 | R92-Q96 WeakPolarHBondContact O-CB 3.32Å; R92-Q96 PolarHBondContact O-N 3.21Å; Q93-Q96 CarbonylContact O-C 3.55Å; Q93-Q96 PolarHBondContact O-N 3.35Å; E94-Q96 VanDerWaalsContact C-N 3.3Å; E94-Q96 PolarHBondContact O-N 3.16Å; Q96-Q100 WeakPolarHBondContact O-CB 3.24Å; Q96-Q100 WeakPolarHBondContact O-CG 3.47Å; Q96-Q100 PolarHBondContact O-N 2.87Å; Q96-Q100 PolarHBondContact O-NE2 2.91Å |
| 97 | Q | 91.9 | Very high | 87.3 | Confident | 115 Ų | 115 | 110.3 Ų | 110.3 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.3 | -39.2 | 175.8 | -165 | -165.8 | 75 | 0 | 0 | 111.6 | Q93 E94 R95 Q100 Q101 | Q93-Q97 WeakPolarHBondContact O-CB 3.39Å; Q93-Q97 PolarHBondContact O-N 3.46Å; E94-Q97 CarbonylContact O-C 3.54Å; E94-Q97 PolarHBondContact O-N 3.27Å; E94-Q97 VanDerWaalsContact O-N 3.08Å; R95-Q97 VanDerWaalsContact C-N 3.35Å; Q97-Q100 PolarHBondContact O-N 3.37Å; Q97-Q101 WeakPolarHBondContact O-CB 3.14Å; Q97-Q101 WeakPolarHBondContact O-CG 3.25Å; Q97-Q101 PolarHBondContact O-N 2.75Å |
| 98 | Q | 90.2 | Very high | 86.9 | Confident | 86 Ų | 86 | 109.3 Ų | 109.3 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 172 | -71.3 | -177.6 | 17.9 | 0 | 0 | 110.9 | E94 Q101 Q102 | E94-Q98 VanDerWaalsContact CD-NE2 3.32Å; E94-Q98 HydrophobicContact CG-CG 4.39Å; E94-Q98 WeakPolarHBondContact O-CB 3.39Å; E94-Q98 WeakPolarHBondContact O-CG 3.5Å; E94-Q98 PolarHBondContact O-N 2.85Å; E94-Q98 PolarHBondContact OE1-NE2 3.35Å; Q98-Q101 PolarHBondContact O-N 2.75Å; Q98-Q102 WeakPolarHBondContact O-CB 3.31Å; Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.24Å; Q98-Q102 PolarHBondContact O-N 3.21Å |
| 99 | Q | 91.9 | Very high | 86.2 | Confident | 105 Ų | 105 | 112.9 Ų | 112.9 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 172.1 | -78.7 | 176.4 | -10.1 | 0 | 0 | 112.1 | R95 Q101 Q102 Q103 | R95-Q99 WeakPolarHBondContact O-CB 3.37Å; R95-Q99 VanDerWaalsContact O-CG 3.29Å; R95-Q99 WeakPolarHBondContact O-CG 3.43Å; R95-Q99 PolarHBondContact O-N 2.6Å; Q99-Q101 VanDerWaalsContact C-N 3.35Å; Q99-Q101 PolarHBondContact O-N 3.04Å; Q99-Q102 PolarHBondContact O-N 3.24Å; Q99-Q103 WeakPolarHBondContact O-CB 3.32Å; Q99-Q103 WeakPolarHBondContact O-CG 3.4Å; Q99-Q103 PolarHBondContact O-N 3.15Å |
| 100 | Q | 92 | Very high | 85.5 | Confident | 104 Ų | 104 | 111 Ų | 111 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 173.7 | -77 | 168.4 | 93.9 | 0 | 0 | 113 | Q96 Q97 R104 | Q96-Q100 WeakPolarHBondContact O-CB 3.24Å; Q96-Q100 WeakPolarHBondContact O-CG 3.47Å; Q96-Q100 PolarHBondContact O-N 2.87Å; Q96-Q100 PolarHBondContact O-NE2 2.91Å; Q97-Q100 PolarHBondContact O-N 3.37Å; Q100-R104 WeakPolarHBondContact O-CB 3.44Å; Q100-R104 PolarHBondContact O-N 3.22Å |
| 101 | Q | 89.6 | Confident | 84.4 | Confident | 113 Ų | 113 | 113.5 Ų | 113.5 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.5 | -36.3 | 173 | -77.3 | 179.4 | 78.2 | 0 | 0 | 112 | Q97 Q98 Q99 S105 | Q97-Q101 WeakPolarHBondContact O-CB 3.14Å; Q97-Q101 WeakPolarHBondContact O-CG 3.25Å; Q97-Q101 PolarHBondContact O-N 2.75Å; Q98-Q101 PolarHBondContact O-N 2.75Å; Q99-Q101 VanDerWaalsContact C-N 3.35Å; Q99-Q101 PolarHBondContact O-N 3.04Å; Q101-S105 WeakPolarHBondContact O-CB 3.5Å; Q101-S105 PolarHBondContact O-N 3.2Å; Q101-S105 PolarHBondContact O-OG 2.73Å |
| 102 | Q | 88.8 | Confident | 83.3 | Confident | 118 Ų | 118 | 121 Ų | 121 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -47.5 | 171.9 | -75.9 | 171.2 | 28.5 | 0 | 0 | 110.5 | Q98 Q99 R104 S105 E106 | Q98-Q102 WeakPolarHBondContact O-CB 3.31Å; Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.24Å; Q98-Q102 PolarHBondContact O-N 3.21Å; Q99-Q102 PolarHBondContact O-N 3.24Å; Q102-R104 PolarHBondContact O-N 3.03Å; Q102-S105 PolarHBondContact O-N 3.48Å; Q102-S105 PolarHBondContact O-OG 2.59Å; Q102-E106 WeakPolarHBondContact O-CB 3.26Å; Q102-E106 PolarHBondContact O-N 2.94Å |
| 103 | Q | 87.2 | Confident | 81.4 | Confident | 131 Ų | 131 | 121.1 Ų | 121.1 | 61% | 0.612 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.4 | -47.7 | 174.5 | -75.3 | 175.3 | -13.4 | 0 | 0 | 111.9 | Q99 S105 E106 E107 | Q99-Q103 WeakPolarHBondContact O-CB 3.32Å; Q99-Q103 WeakPolarHBondContact O-CG 3.4Å; Q99-Q103 PolarHBondContact O-N 3.15Å; Q103-S105 PolarHBondContact O-N 2.68Å; Q103-E106 PolarHBondContact O-N 3.37Å; Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 PolarHBondContact O-N 3.3Å |
| 104 | R | 84.7 | Confident | 79.4 | Confident | 180 Ų | 180 | 122.4 Ų | 122.4 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.8 | -37 | 175.8 | -87.8 | -175 | 164.8 | 160.6 | -2.1 | 113.9 | Q100 Q102 L108 | Q100-R104 WeakPolarHBondContact O-CB 3.44Å; Q100-R104 PolarHBondContact O-N 3.22Å; Q102-R104 PolarHBondContact O-N 3.03Å; R104-L108 VanDerWaalsContact O-CB 3.28Å; R104-L108 WeakPolarHBondContact O-CB 3.37Å; R104-L108 WeakPolarHBondContact O-CD1 3.49Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 2.8Å |
| 105 | S | 82 | Confident | 76.9 | Confident | 60 Ų | 60 | 121.5 Ų | 121.5 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -76.5 | -32.5 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | Q101 Q102 Q103 L109 | Q101-S105 WeakPolarHBondContact O-CB 3.5Å; Q101-S105 PolarHBondContact O-N 3.2Å; Q101-S105 PolarHBondContact O-OG 2.73Å; Q102-S105 PolarHBondContact O-N 3.48Å; Q102-S105 PolarHBondContact O-OG 2.59Å; Q103-S105 PolarHBondContact O-N 2.68Å; S105-L109 VanDerWaalsContact O-CB 3.24Å; S105-L109 WeakPolarHBondContact O-CB 3.22Å; S105-L109 WeakPolarHBondContact O-CD1 3.3Å; S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 2.66Å |
| 106 | E | 85.6 | Confident | 74.6 | Confident | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.3 | -39.6 | 170.6 | -172.3 | 165.7 | -165.9 | 0 | 0 | 111.3 | Q102 Q103 L109 A110 | Q102-E106 WeakPolarHBondContact O-CB 3.26Å; Q102-E106 PolarHBondContact O-N 2.94Å; Q103-E106 PolarHBondContact O-N 3.37Å; E106-L109 CarbonylContact O-C 3.55Å; E106-L109 PolarHBondContact O-N 3.41Å; E106-A110 WeakPolarHBondContact O-CB 3.23Å; E106-A110 PolarHBondContact O-N 3.18Å |
| 107 | E | 82.3 | Confident | 72.5 | Confident | 127 Ų | 127 | 121.8 Ų | 121.8 | 59% | 0.593 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64 | -48.8 | 173.4 | -174.5 | 171.7 | -132.7 | 0 | 0 | 111.3 | Q103 L109 A110 E111 | Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 PolarHBondContact O-N 3.3Å; E107-L109 VanDerWaalsContact C-N 3.27Å; E107-L109 PolarHBondContact O-N 3.45Å; E107-A110 CarbonylContact O-C 3.53Å; E107-A110 PolarHBondContact O-N 2.73Å; E107-E111 PolarHBondContact O-N 2.97Å |
| 108 | L | 75.4 | Confident | 70.3 | Confident | 113 Ų | 113 | 124.3 Ų | 124.3 | 59% | 0.592 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.5 | -27.4 | 173.9 | -72.3 | 167.7 | 0 | 0 | 0 | 113.3 | R104 R112 | R104-L108 VanDerWaalsContact O-CB 3.28Å; R104-L108 WeakPolarHBondContact O-CB 3.37Å; R104-L108 WeakPolarHBondContact O-CD1 3.49Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 2.8Å; L108-R112 WeakPolarHBondContact O-CB 3.47Å; L108-R112 PolarHBondContact O-N 3.47Å |
| 109 | L | 68.1 | Low | 67.9 | Low | 119 Ų | 119 | 125 Ų | 125 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -81.5 | -26.3 | 171.9 | -73.7 | 169.2 | 0 | 0 | 0 | 112.5 | S105 E106 E107 R112 K113 | S105-L109 VanDerWaalsContact O-CB 3.24Å; S105-L109 WeakPolarHBondContact O-CB 3.22Å; S105-L109 WeakPolarHBondContact O-CD1 3.3Å; S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 2.66Å; E106-L109 CarbonylContact O-C 3.55Å; E106-L109 PolarHBondContact O-N 3.41Å; E107-L109 VanDerWaalsContact C-N 3.27Å; E107-L109 PolarHBondContact O-N 3.45Å; L109-R112 CarbonylContact O-C 3.57Å; L109-R112 VanDerWaalsContact O-C 3.26Å; L109-R112 PolarHBondContact O-N 3.04Å; L109-K113 PolarHBondContact O-N 3.25Å |
| 110 | A | 70.6 | Confident | 65.7 | Low | 62 Ų | 62 | 129.9 Ų | 129.9 | 51% | 0.512 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -81.2 | -32.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E106 E107 K113 | E106-A110 WeakPolarHBondContact O-CB 3.23Å; E106-A110 PolarHBondContact O-N 3.18Å; E107-A110 CarbonylContact O-C 3.53Å; E107-A110 PolarHBondContact O-N 2.73Å; A110-K113 WeakPolarHBondContact O-CB 3.13Å; A110-K113 PolarHBondContact O-N 3Å |
| 111 | E | 60.7 | Low | 63.5 | Low | 160 Ų | 160 | 131.8 Ų | 131.8 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62.5 | -36.7 | 162.2 | -73.3 | -161.4 | 125.5 | 0 | 0 | 110.5 | E107 K113 | E107-E111 PolarHBondContact O-N 2.97Å; E111-K113 PolarHBondContact O-N 3.27Å; E111-K113 VanDerWaalsContact O-N 3.14Å |
| 112 | R | 59.5 | Low | 61.1 | Low | 205 Ų | 205 | 137.6 Ų | 137.6 | 77% | 0.774 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 26.9 | 174.3 | -150.1 | -178.1 | -178.9 | -137.4 | -3.4 | 114 | L108 L109 | L108-R112 WeakPolarHBondContact O-CB 3.47Å; L108-R112 PolarHBondContact O-N 3.47Å; L109-R112 CarbonylContact O-C 3.57Å; L109-R112 VanDerWaalsContact O-C 3.26Å; L109-R112 PolarHBondContact O-N 3.04Å |
| 113 | K | 49.4 | Very low | 58.9 | Low | 167 Ų | 167 | 143.9 Ų | 143.9 | 73% | 0.726 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.7 | 174.6 | -175.2 | 170.7 | -172.1 | 173.7 | 0 | 110.5 | L109 A110 E111 G115 | L109-K113 PolarHBondContact O-N 3.25Å; A110-K113 WeakPolarHBondContact O-CB 3.13Å; A110-K113 PolarHBondContact O-N 3Å; E111-K113 PolarHBondContact O-N 3.27Å; E111-K113 VanDerWaalsContact O-N 3.14Å; K113-G115 PolarHBondContact O-N 3.35Å |
| 114 | P | 46.5 | Very low | 56.9 | Low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 123.8 | 178.2 | -21.8 | 33 | 0 | 0 | 0 | 111.1 | P116 | P114-P116 WeakPolarHBondContact O-CD 3.23Š|
| 115 | G | 37 | Very low | 54.8 | Low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 121 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | K113 | K113-G115 PolarHBondContact O-N 3.35Š|
| 116 | P | 42.5 | Very low | 53.2 | Low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 157.8 | 166.2 | 37.1 | -32.8 | 0 | 0 | 0 | 110.4 | P114 | P114-P116 WeakPolarHBondContact O-CD 3.23Š|
| 117 | L | 45.8 | Very low | 51.6 | Low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | 64.6 | 148.8 | 167 | -61.4 | 165 | 0 | 0 | 0 | 115.5 | | |
| 118 | E | 46.6 | Very low | 50 | Low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | cis | -161 | 175.8 | -28 | -147.7 | -179.7 | -137 | 0 | 0 | 108.3 | R120 | E118-R120 PolarHBondContact O-N 3.16Š|
| 119 | A | 39.9 | Very low | 48.8 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -52.2 | 90.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 120 | R | 45.5 | Very low | 47.6 | Very low | 208 Ų | 208 | 149.4 Ų | 149.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -148.9 | 145.6 | 159.7 | -104.9 | 177.8 | 127.6 | -176.5 | -10.8 | 109.7 | E118 | E118-R120 PolarHBondContact O-N 3.16Š|
| 121 | E | 46.5 | Very low | 46.5 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | | | cis | -145.7 | 165.9 | 2 | -164.3 | 151.4 | -125.7 | 0 | 0 | 110.7 | | |
| 122 | R | 39 | Very low | 46.1 | Very low | 235 Ų | 235 | 153.5 Ų | 153.5 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -77.1 | 137.7 | -169.8 | -49.8 | 174.7 | -174.2 | -175.6 | 0.4 | 113.3 | | |
| 123 | R | 43 | Very low | 45.4 | Very low | 249 Ų | 249 | 149 Ų | 149 | 94% | 0.94 | 78% | 0.784 | S | S | * | * | | | trans | -151.8 | 126.2 | 134 | -72.6 | -153.4 | 179.3 | -154.1 | -0.6 | 111.4 | | |
| 124 | P | 44.4 | Very low | 45.6 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | | | trans | -111.2 | -179.3 | 177 | 41.1 | -34.1 | 0 | 0 | 0 | 114 | | |
| 125 | S | 40 | Very low | 45.8 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | 79.2 | 156.3 | 160.3 | -57.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 126 | P | 48.6 | Very low | 46.4 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | cis | -129.9 | 176.5 | -17.1 | 31.5 | -11.5 | 0 | 0 | 0 | 114.8 | | |
| 127 | G | 53 | Low | 46.8 | Very low | 65 Ų | 65 | 154.8 Ų | 154.8 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | 138.8 | 81.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 128 | E | 48.2 | Very low | 47 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | | 58.1 | 121.8 | 74.8 | -63.8 | -166.2 | 122.9 | 0 | 0 | 114.2 | | |
| 129 | M | 50.2 | Low | 47.1 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | | | cis | -150.1 | 144.1 | -17.3 | -78.8 | -152.8 | -61.8 | 0 | 0 | 108.1 | | |
| 130 | R | 43.6 | Very low | 47.5 | Very low | 223 Ų | 223 | 155.7 Ų | 155.7 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | -157.2 | 115.9 | 143 | -153.2 | 158.9 | -172.8 | -176.9 | 1.8 | 116.1 | | |
| 131 | D | 46.9 | Very low | 47.6 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | | | trans | 47 | 119.2 | 143.7 | -49.7 | -19.2 | 0 | 0 | 0 | 122.2 | | |
| 132 | Q | 51.9 | Low | 47.4 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | trans | 109.9 | 104.8 | 141.2 | -50.2 | -124.1 | 73.7 | 0 | 0 | 119.6 | | |
| 133 | S | 44.7 | Very low | 47.7 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | -67.8 | -179.4 | 161.2 | -143.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 134 | P | 53.8 | Low | 47.7 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | | | cis | -152 | 175.5 | 15.6 | 46.7 | -26.5 | 0 | 0 | 0 | 120.3 | | |
| 135 | K | 51 | Low | 47.6 | Very low | 209 Ų | 209 | 150.3 Ų | 150.3 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | 69.6 | 143.1 | 162.9 | -49.1 | 178.5 | -170.7 | 175.5 | 0 | 117.5 | | |
| 136 | G | 49.2 | Very low | 48.3 | Very low | 69 Ų | 69 | 151.3 Ų | 151.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | cis | 161.1 | 154.1 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 137 | R | 52.3 | Low | 48 | Very low | 218 Ų | 218 | 155 Ų | 155 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | | | trans | 66.7 | 151.4 | 173.7 | -69 | -157.7 | -175.6 | -115.9 | 6.8 | 117.8 | | |
| 138 | E | 48.1 | Very low | 47.8 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | | | cis | -175.4 | 150.1 | -30.7 | -118 | 160.7 | -147.9 | 0 | 0 | 110.4 | | |
| 139 | S | 49.1 | Very low | 47.8 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | 68.1 | 157.8 | 150 | 79.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 140 | R | 47.9 | Very low | 47.4 | Very low | 193 Ų | 193 | 157.5 Ų | 157.5 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | | | cis | -175.9 | 135.4 | -19.7 | 162.7 | 174.6 | 177.7 | -119 | -17.3 | 112 | | |
| 141 | E | 47.7 | Very low | 48 | Very low | 149 Ų | 149 | 154 Ų | 154 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | trans | 56.7 | 169.6 | 162.8 | -73.1 | 147.3 | -127.5 | 0 | 0 | 116.9 | | |
| 142 | E | 43.4 | Very low | 48.5 | Very low | 177 Ų | 177 | 157 Ų | 157 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | cis | -142.5 | -177.9 | 21.3 | -160.6 | 176.2 | 151.1 | 0 | 0 | 111.8 | | |
| 143 | R | 44.1 | Very low | 48.4 | Very low | 228 Ų | 228 | 156.8 Ų | 156.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -126.5 | 162.2 | 177.6 | -41.9 | -173.3 | 85 | -171.3 | 7.5 | 111.1 | | |
| 144 | L | 42.8 | Very low | 48.5 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | | | trans | 177.5 | 155.8 | 139.1 | -98.4 | 165.8 | 0 | 0 | 0 | 111.9 | | |
| 145 | S | 43 | Very low | 48.5 | Very low | 109 Ų | 109 | 158.6 Ų | 158.6 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -164.6 | 141.5 | 171.1 | 60.5 | 0 | 0 | 0 | 0 | 115 | | |
| 146 | P | 54 | Low | 48.3 | Very low | 132 Ų | 132 | 156.9 Ų | 156.9 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | trans | -145 | -175.6 | 155.7 | 39.3 | -23.5 | 0 | 0 | 0 | 113.8 | | |
| 147 | R | 43 | Very low | 48.3 | Very low | 207 Ų | 207 | 157.5 Ų | 157.5 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | | -175.3 | 153.8 | -54.2 | -153 | -171.9 | -180 | -129.5 | -3.8 | 108.7 | | |
| 148 | E | 48.8 | Very low | 47.7 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | trans | 68.2 | 159.2 | 159 | -63.9 | -128.8 | -156.2 | 0 | 0 | 119.1 | | |
| 149 | T | 48.6 | Very low | 47.4 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 61% | 0.607 | 78% | 0.782 | S | S | * | * | | | cis | -169.5 | 128.4 | -19.8 | -95.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 150 | R | 42.1 | Very low | 46.9 | Very low | 233 Ų | 233 | 152.2 Ų | 152.2 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | 39.9 | 128.5 | 136.5 | -175.5 | -154.8 | -165 | -176.1 | 7.8 | 123.4 | | |
| 151 | E | 56.1 | Low | 46.6 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | -159.4 | 136.9 | 139.7 | -148.9 | 146.9 | -132.8 | 0 | 0 | 119.7 | | |
| 152 | R | 56.3 | Low | 46.3 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 67% | 0.672 | 79% | 0.785 | S | S | * | * | | | trans | 29.3 | 162 | 148.3 | -64 | 173.7 | -148.2 | -146.9 | 13.5 | 124.7 | | |
| 153 | R | 50.1 | Low | 46.2 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | cis | -171.9 | 150.6 | -21.7 | -107.3 | -177.2 | -140.6 | -96.4 | 2.5 | 112.7 | | |
| 154 | L | 47.7 | Very low | 45.9 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | 66.5 | 140.4 | 147.5 | -64.7 | 166.1 | 0 | 0 | 0 | 121.7 | | |
| 155 | G | 53.6 | Low | 45.5 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 176.9 | 23.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 156 | I | 47.2 | Very low | 45.6 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | 35.6 | 110.7 | 160.4 | -49.4 | 174.3 | 0 | 0 | 0 | 120.7 | | |
| 157 | G | 47.8 | Very low | 44.8 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | 78.1 | 146.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 158 | G | 40.9 | Very low | 44.7 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | cis | 179 | 158.5 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 159 | A | 41.7 | Very low | 44.2 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | 76.2 | 153.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 160 | Q | 38.8 | Very low | 43.7 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -49.2 | 159.4 | -173.3 | -66.5 | 159.7 | -50.9 | 0 | 0 | 117.1 | | |
| 161 | E | 40.7 | Very low | 43.6 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | cis | -156.7 | 167.4 | -12.7 | -118.4 | -178.7 | 107.7 | 0 | 0 | 111.2 | | |
| 162 | L | 42 | Very low | 42.5 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | -12.2 | 149.2 | 166.5 | -52.5 | 173.1 | 0 | 0 | 0 | 120.3 | | |
| 163 | S | 41.1 | Very low | 41.8 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | | | cis | -173.2 | 135.1 | -16.3 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 164 | L | 37.5 | Very low | 41.4 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | trans | 60.3 | 113.4 | 149.2 | -58.5 | 174.4 | 0 | 0 | 0 | 121.7 | | |
| 165 | R | 35.1 | Very low | 40.9 | Very low | 236 Ų | 236 | 147 Ų | 147 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | | | trans | -98.1 | 144.9 | 146.9 | -86.3 | -81.5 | -154 | 158.6 | 5.7 | 109.6 | | |
| 166 | P | 44.6 | Very low | 40.6 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | -98.2 | 158.4 | 152.9 | -9.4 | 28.6 | 0 | 0 | 0 | 112.6 | | |
| 167 | L | 37.6 | Very low | 40.6 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | -142.9 | 168.3 | 175.5 | -174.7 | 60.9 | 0 | 0 | 0 | 108.5 | | |
| 168 | E | 40 | Very low | 40.5 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | 73.6 | 148.2 | 177 | -44.8 | -166.2 | 122.9 | 0 | 0 | 114.7 | | |
| 169 | A | 39.5 | Very low | 40.9 | Very low | 89 Ų | 89 | 152.5 Ų | 152.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | cis | -124.4 | 160.8 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 170 | R | 38 | Very low | 41 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | | 56.3 | 138.6 | 53.3 | -89.7 | -170.8 | 167.1 | 172.5 | -3.3 | 113.7 | | |
| 171 | D | 38.5 | Very low | 41 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 51% | 0.513 | 79% | 0.793 | S | S | . | * | | | cis | -156.6 | 136.6 | -13.4 | 178.7 | 26.9 | 0 | 0 | 0 | 107 | R173 | D171-R173 IonicContact OD2-NH2 3.36Å; D171-R173 PolarHBondContact OD2-NH2 3.31Å |
| 172 | W | 33.6 | Very low | 41.4 | Very low | 258 Ų | 258 | 154.9 Ų | 154.9 | 98% | 0.977 | 80% | 0.804 | S | S | * | * | | | trans | -143.5 | 136.9 | 167.9 | -81.8 | 119.7 | 0 | 0 | 0 | 111.1 | | |
| 173 | R | 41.7 | Very low | 41.3 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | | | trans | -118 | 124.5 | -154.1 | -178.2 | -177.5 | -54.6 | -116 | -12.8 | 111.6 | D171 | D171-R173 IonicContact OD2-NH2 3.36Å; D171-R173 PolarHBondContact OD2-NH2 3.31Å |
| 174 | Q | 41.6 | Very low | 41.3 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | 30.9 | 116.8 | 150.8 | -54.1 | 176.3 | 52.6 | 0 | 0 | 118.6 | | |
| 175 | S | 38.4 | Very low | 41.7 | Very low | 123 Ų | 123 | 156.6 Ų | 156.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | | -171 | 153.3 | 105.9 | -75.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 176 | P | 45.5 | Very low | 42.1 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -115.9 | 166.1 | -172.1 | 41.3 | -31.5 | 0 | 0 | 0 | 115.6 | | |
| 177 | G | 48.7 | Very low | 41.8 | Very low | 75 Ų | 75 | 151.1 Ų | 151.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | 121.4 | 144.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 178 | E | 44.4 | Very low | 42.1 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | cis | -159.1 | 159.4 | -5.2 | -151 | -165.8 | 126.3 | 0 | 0 | 109.2 | | |
| 179 | V | 49.4 | Very low | 42.4 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | 54.6 | 131.7 | 166.6 | -169.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 180 | G | 43.5 | Very low | 42.6 | Very low | 70 Ų | 70 | 153.8 Ų | 153.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | 143.6 | 112.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117 | R182 | G180-R182 PolarHBondContact O-N 3.5Š|
| 181 | D | 40.6 | Very low | 43.3 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | trans | -54.6 | 128.4 | 170.2 | -88 | -60.4 | 0 | 0 | 0 | 113.4 | | |
| 182 | R | 47.9 | Very low | 43.3 | Very low | 247 Ų | 247 | 158.7 Ų | 158.7 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | 175.2 | 68.9 | 146.2 | -93.2 | 145.2 | -161.2 | -100.4 | 2.4 | 113.6 | G180 | G180-R182 PolarHBondContact O-N 3.5Š|
| 183 | S | 40.5 | Very low | 44 | Very low | 114 Ų | 114 | 156.6 Ų | 156.6 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -145.3 | 76.2 | 166.3 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 184 | S | 41.8 | Very low | 44.2 | Very low | 101 Ų | 101 | 156 Ų | 156 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -75.9 | 149.1 | 163.3 | 73 | 0 | 0 | 0 | 0 | 110.8 | | |
| 185 | R | 43.9 | Very low | 44 | Very low | 232 Ų | 232 | 153.5 Ų | 153.5 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | | | trans | 67.7 | 63.6 | 166.1 | -49.1 | 172.5 | -173.2 | -91.7 | 0.5 | 117.4 | | |
| 186 | L | 45.3 | Very low | 44.7 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | | | trans | -133.6 | 125.1 | 158.3 | -73.5 | 177.3 | 0 | 0 | 0 | 113.2 | | |
| 187 | S | 38.2 | Very low | 44.4 | Very low | 83 Ų | 83 | 150.2 Ų | 150.2 | 58% | 0.58 | 80% | 0.801 | S | S | * | * | | | trans | 51.1 | 82.3 | 150 | -56 | 0 | 0 | 0 | 0 | 120.7 | | |
| 188 | E | 43.1 | Very low | 44.2 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | trans | -94.7 | 4.2 | 161.9 | -141.9 | 178.3 | 159.9 | 0 | 0 | 113.7 | W190 | E188-W190 PolarHBondContact O-N 3.41Š|
| 189 | A | 46.3 | Very low | 43.9 | Very low | 91 Ų | 91 | 152.9 Ų | 152.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -93.7 | 14.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 190 | W | 43.4 | Very low | 43.4 | Very low | 202 Ų | 202 | 152 Ų | 152 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | trans | -115.1 | 11.7 | -169.3 | -74.3 | -18.7 | 0 | 0 | 0 | 116.6 | E188 W192 | E188-W190 PolarHBondContact O-N 3.41Å; W190-W192 PolarHBondContact O-N 3.38Å |
| 191 | K | 53.6 | Low | 43.4 | Very low | 182 Ų | 182 | 157.7 Ų | 157.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -79.3 | -4 | -174.1 | -84.6 | -175.7 | 173 | 176.2 | 0 | 117.6 | | |
| 192 | W | 39.1 | Very low | 43.2 | Very low | 251 Ų | 251 | 160.6 Ų | 160.6 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -128.9 | 66.3 | -176.5 | -66.7 | 111 | 0 | 0 | 0 | 113.2 | W190 | W190-W192 PolarHBondContact O-N 3.38Š|
| 193 | R | 47.2 | Very low | 42.8 | Very low | 215 Ų | 215 | 154.5 Ų | 154.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -139.2 | 12.4 | 178.3 | -98.1 | -112.2 | -80.7 | -94.8 | -0.7 | 115.9 | | |
| 194 | L | 45.7 | Very low | 42.7 | Very low | 170 Ų | 170 | 157 Ų | 157 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -125.1 | 102.8 | 167.7 | -76.1 | 87.3 | 0 | 0 | 0 | 109.7 | | |
| 195 | S | 37.2 | Very low | 42.4 | Very low | 117 Ų | 117 | 163.6 Ų | 163.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -96.8 | 122.1 | 157.9 | -58.7 | 0 | 0 | 0 | 0 | 108 | | |
| 196 | P | 54.3 | Low | 42.2 | Very low | 129 Ų | 129 | 160.8 Ų | 160.8 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -59.7 | 148.4 | 147.2 | -11 | 27.5 | 0 | 0 | 0 | 108 | | |
| 197 | G | 37.9 | Very low | 41.9 | Very low | 59 Ų | 59 | 156.6 Ų | 156.6 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | cis | 137.4 | 96 | 6.9 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 198 | E | 44.9 | Very low | 41.9 | Very low | 187 Ų | 187 | 161.9 Ų | 161.9 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | 62.5 | 148.5 | -179.1 | -68.4 | 153.9 | 94 | 0 | 0 | 114.5 | | |
| 199 | T | 38.4 | Very low | 41.7 | Very low | 121 Ų | 121 | 158.7 Ų | 158.7 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | cis | -132.1 | 162.9 | 32.2 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 200 | P | 39 | Very low | 41.2 | Very low | 116 Ų | 116 | 164.6 Ų | 164.6 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | trans | -113.3 | 92 | 165 | 36.1 | -24.5 | 0 | 0 | 0 | 111.9 | R202 | P200-R202 VanDerWaalsContact C-N 3.26Å; P200-R202 PolarHBondContact O-N 3.25Å |
| 201 | E | 42.3 | Very low | 41 | Very low | 189 Ų | 189 | 161.8 Ų | 161.8 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -75.8 | 76 | 175.4 | -71.3 | -155.1 | 125.7 | 0 | 0 | 113.3 | | |
| 202 | R | 38 | Very low | 40.2 | Very low | 223 Ų | 223 | 162.6 Ų | 162.6 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | | | trans | 20.5 | 103.6 | 141.8 | -161.9 | 174.6 | -166.2 | 160.3 | 2.9 | 117.1 | P200 L204 | P200-R202 VanDerWaalsContact C-N 3.26Å; P200-R202 PolarHBondContact O-N 3.25Å; R202-L204 PolarHBondContact O-N 3.05Å |
| 203 | S | 38.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 155.6 Ų | 155.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -57.7 | 119.2 | 172.3 | -50.6 | 0 | 0 | 0 | 0 | 113.2 | R205 | S203-R205 PolarHBondContact O-N 3Š|
| 204 | L | 39.2 | Very low | 39.8 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -84.4 | 83.4 | 168.2 | -72 | 178.4 | 0 | 0 | 0 | 111.2 | R202 | R202-L204 PolarHBondContact O-N 3.05Š|
| 205 | R | 36 | Very low | 39.4 | Very low | 238 Ų | 238 | 153.7 Ų | 153.7 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | -146.5 | 99.2 | 160.5 | -74.5 | -162.8 | -177.5 | -147.5 | 3.3 | 110.9 | S203 | S203-R205 PolarHBondContact O-N 3Š|
| 206 | L | 39.6 | Very low | 39.8 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | | | trans | -154.8 | 134.5 | 161.1 | -163.9 | 59.7 | 0 | 0 | 0 | 112.1 | | |
| 207 | A | 38.7 | Very low | 39.5 | Very low | 71 Ų | 71 | 160.5 Ų | 160.5 | 59% | 0.587 | 80% | 0.803 | S | S | * | * | | | trans | 31.3 | 106.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 208 | E | 36.5 | Very low | 39.8 | Very low | 194 Ų | 194 | 164.6 Ų | 164.6 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | | | | 39.8 | 107.5 | 117.6 | -61.3 | 171.1 | 107.7 | 0 | 0 | 120.3 | | |
| 209 | S | 39.4 | Very low | 39.7 | Very low | 119 Ų | 119 | 161.9 Ų | 161.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -142.1 | 70.7 | 156.9 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 210 | R | 36.1 | Very low | 39.6 | Very low | 214 Ų | 214 | 162.8 Ų | 162.8 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | 31.9 | 116.9 | 139.2 | -168.3 | 177.3 | -178 | 173.2 | 4.4 | 120.4 | | |
| 211 | E | 39 | Very low | 40 | Very low | 144 Ų | 144 | 162.7 Ų | 162.7 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | | | trans | 43.4 | 108.3 | 144.7 | -53.6 | 176.1 | 122.1 | 0 | 0 | 120.6 | | |
| 212 | Q | 38 | Very low | 39.9 | Very low | 199 Ų | 199 | 163.4 Ų | 163.4 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | | -180 | 162.8 | 105.7 | -95.3 | -175.4 | 23.9 | 0 | 0 | 112.3 | | |
| 213 | S | 31.5 | Very low | 40.3 | Very low | 104 Ų | 104 | 161.2 Ų | 161.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -130 | 149.2 | -180 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 214 | P | 46 | Very low | 40.1 | Very low | 126 Ų | 126 | 161 Ų | 161 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -144.8 | 97.1 | 137.1 | 34 | -16.2 | 0 | 0 | 0 | 115.9 | | |
| 215 | R | 36.2 | Very low | 40.3 | Very low | 218 Ų | 218 | 159 Ų | 159 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | | | | 19.3 | 115.5 | 128.7 | -166 | -172 | -159 | -160.9 | 7.6 | 119.9 | | |
| 216 | R | 47.2 | Very low | 40.8 | Very low | 241 Ų | 241 | 151.4 Ų | 151.4 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -170.1 | 134.7 | 148.9 | -98.3 | 149.1 | -157.6 | -127.9 | 6.3 | 106.9 | | |
| 217 | K | 46.3 | Very low | 41.1 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | cis | 60.3 | 128.2 | 47.6 | -78.9 | 177.2 | 162.9 | -97.1 | 0 | 111.6 | | |
| 218 | E | 44.7 | Very low | 41.5 | Very low | 145 Ų | 145 | 154.4 Ų | 154.4 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | cis | -165.6 | -164.9 | 13.6 | -132.9 | 149.4 | 178 | 0 | 0 | 111.5 | | |
| 219 | V | 42.3 | Very low | 41.9 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 86.8 | 107.5 | 164.4 | -167.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 220 | E | 37.4 | Very low | 42 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -84.7 | 135.6 | 158.6 | 173.7 | -176.1 | 157.9 | 0 | 0 | 109.5 | R222 | E220-R222 IonicContact OE1-CZ 3.11Å; E220-R222 IonicContact OE1-NE 2.7Å; E220-R222 PolarHBondContact OE1-NE 3.45Å; E220-R222 IonicContact OE1-NH2 2.71Å; E220-R222 PolarHBondContact OE1-NH2 3.34Å |
| 221 | S | 48 | Very low | 42.2 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -126.8 | 105.4 | 177.7 | 62 | 0 | 0 | 0 | 0 | 111.8 | | |
| 222 | R | 38.9 | Very low | 42.2 | Very low | 205 Ų | 205 | 156 Ų | 156 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | | | trans | -93.7 | 130 | 175 | -62.2 | 179.6 | -179.7 | -102.3 | -13.4 | 110.6 | E220 | E220-R222 IonicContact OE1-CZ 3.11Å; E220-R222 IonicContact OE1-NE 2.7Å; E220-R222 PolarHBondContact OE1-NE 3.45Å; E220-R222 IonicContact OE1-NH2 2.71Å; E220-R222 PolarHBondContact OE1-NH2 3.34Å |
| 223 | L | 46.1 | Very low | 42.5 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -144.4 | 129.9 | 157 | -74.1 | -179.5 | 0 | 0 | 0 | 110.3 | | |
| 224 | S | 34.4 | Very low | 42.6 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -150.2 | 173.4 | 172.9 | -56.9 | 0 | 0 | 0 | 0 | 107 | | |
| 225 | P | 44.5 | Very low | 42.2 | Very low | 126 Ų | 126 | 154.3 Ų | 154.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | cis | -117.6 | 172.6 | -48.1 | 36 | -23.3 | 0 | 0 | 0 | 110.9 | | |
| 226 | G | 46.7 | Very low | 42 | Very low | 78 Ų | 78 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -107 | 134.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 227 | E | 45.5 | Very low | 41.5 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -75.6 | 174 | 172 | -48.8 | 156.9 | 113.5 | 0 | 0 | 109.6 | | |
| 228 | S | 46.1 | Very low | 40.9 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | cis | -166.5 | -154.1 | 22.2 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 229 | A | 46.2 | Very low | 40.3 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | | | trans | 84.8 | 91.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 230 | Y | 40.7 | Very low | 40.2 | Very low | 220 Ų | 220 | 148.7 Ų | 148.7 | 86% | 0.863 | 81% | 0.81 | S | S | * | * | | | trans | -53.2 | 145 | 165.8 | -47.8 | -98.5 | 0 | 0 | 0 | 115.4 | | |
| 231 | Q | 41 | Very low | 40.1 | Very low | 188 Ų | 188 | 154.1 Ų | 154.1 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | | | | -158.2 | 139 | 121.7 | -110.9 | 150.4 | 105.4 | 0 | 0 | 111.7 | | |
| 232 | K | 38.6 | Very low | 39.7 | Very low | 208 Ų | 208 | 158.1 Ų | 158.1 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | | | trans | -122.3 | 82.6 | -176.1 | -174.4 | -168.6 | 173.4 | -173.4 | 0 | 110.2 | | |
| 233 | L | 44.4 | Very low | 40.2 | Very low | 165 Ų | 165 | 154.4 Ų | 154.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -129.8 | 143.3 | 159.6 | -64 | 171.9 | 0 | 0 | 0 | 106.4 | | |
| 234 | G | 33.3 | Very low | 39.8 | Very low | 64 Ų | 64 | 152.2 Ų | 152.2 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | | | cis | 130.7 | 96.2 | 4.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 235 | L | 38.2 | Very low | 39.6 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | 78.5 | 143.2 | 171.8 | -51.4 | 173.8 | 0 | 0 | 0 | 117.9 | | |
| 236 | T | 31.8 | Very low | 39.5 | Very low | 129 Ų | 129 | 155 Ų | 155 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | 52.6 | 87.9 | 154.1 | 53.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 237 | E | 35.7 | Very low | 39 | Very low | 203 Ų | 203 | 159.1 Ų | 159.1 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | | | trans | -104.7 | 82.9 | 142.5 | -171.6 | 167.9 | -156.4 | 0 | 0 | 109.1 | | |
| 238 | A | 34 | Very low | 38.7 | Very low | 80 Ų | 80 | 154.9 Ų | 154.9 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | | | trans | -133.3 | 69.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 239 | H | 32.5 | Very low | 38.2 | Very low | 178 Ų | 178 | 155 Ų | 155 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -160.3 | 158.9 | 173 | -113.4 | -74.5 | 0 | 0 | 0 | 112 | | |
| 240 | K | 39.7 | Very low | 37.8 | Very low | 175 Ų | 175 | 158 Ų | 158 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | 71.2 | 76.9 | 171.4 | -55.1 | 159.8 | -178.1 | -72.5 | 0 | 116 | | |
| 241 | W | 36.5 | Very low | 37.7 | Very low | 254 Ų | 254 | 154.4 Ų | 154.4 | 96% | 0.962 | 78% | 0.777 | S | S | * | * | | | | -139 | 124.1 | 104.3 | -79.8 | 104.7 | 0 | 0 | 0 | 108.9 | | |
| 242 | R | 39.5 | Very low | 38 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | trans | -89.2 | 136.9 | 162.6 | -79.8 | -171.2 | 174 | -82 | 1.5 | 107.7 | D244 | R242-D244 WeakPolarHBondContact CB-OD1 3.48Å; R242-D244 VanDerWaalsContact CD-OD1 3.27Å; R242-D244 WeakPolarHBondContact CD-OD1 3.39Å; R242-D244 PolarHBondContact O-N 3.48Å |
| 243 | P | 49.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | -68.8 | 106.6 | 142.6 | -1 | 19.7 | 0 | 0 | 0 | 106.2 | | |
| 244 | D | 36.1 | Very low | 38.1 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | trans | -77.8 | 140.2 | 175.5 | -76.2 | -39.3 | 0 | 0 | 0 | 110.4 | R242 R246 | R242-D244 WeakPolarHBondContact CB-OD1 3.48Å; R242-D244 VanDerWaalsContact CD-OD1 3.27Å; R242-D244 WeakPolarHBondContact CD-OD1 3.39Å; R242-D244 PolarHBondContact O-N 3.48Å; D244-R246 PolarHBondContact O-N 3.31Å |
| 245 | S | 31.7 | Very low | 38.5 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -61.7 | 119.9 | -163.4 | -47.9 | 0 | 0 | 0 | 0 | 114 | | |
| 246 | R | 41.8 | Very low | 38.8 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | | | trans | -145.3 | 2 | 167.3 | -131.7 | 175.5 | -173.4 | -69 | -14.1 | 117.8 | D244 S248 | D244-R246 PolarHBondContact O-N 3.31Å; R246-S248 PolarHBondContact O-N 3.46Å; R246-S248 VanDerWaalsContact O-N 3.12Å |
| 247 | E | 36.3 | Very low | 39.3 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -69.7 | -5.2 | 178.8 | -67.5 | 167.3 | 105.8 | 0 | 0 | 113.9 | Q249 | E247-Q249 VanDerWaalsContact C-N 3.28Å; E247-Q249 PolarHBondContact O-N 2.95Å |
| 248 | S | 38.5 | Very low | 39.6 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -74.8 | -7.1 | 178.2 | -44.2 | 0 | 0 | 0 | 0 | 115 | R246 | R246-S248 PolarHBondContact O-N 3.46Å; R246-S248 VanDerWaalsContact O-N 3.12Å |
| 249 | Q | 35.2 | Very low | 40 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 53% | 0.533 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -96.1 | -19.6 | -176.7 | -170.3 | 162.2 | 8.8 | 0 | 0 | 114.1 | E247 S252 | E247-Q249 VanDerWaalsContact C-N 3.28Å; E247-Q249 PolarHBondContact O-N 2.95Å; Q249-S252 PolarHBondContact O-OG 3.18Å; Q249-S252 VanDerWaalsContact O-OG 3.13Å |
| 250 | E | 38.8 | Very low | 40.4 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -87.5 | -25.4 | -174.8 | -62.2 | -177.4 | 147.3 | 0 | 0 | 112.2 | S252 L253 V254 | E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 3.12Å; E250-L253 PolarHBondContact O-N 3.04Å; E250-V254 PolarHBondContact O-N 3.45Å |
| 251 | Q | 38.5 | Very low | 40.1 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.9 | -15.9 | 175 | -65.7 | -169.2 | -4.3 | 0 | 0 | 114.7 | Q255 | Q251-Q255 PolarHBondContact O-NE2 3.34Å; Q251-Q255 VanDerWaalsContact O-NE2 3.1Å |
| 252 | S | 47.5 | Very low | 40.3 | Very low | 64 Ų | 64 | 136 Ų | 136 | 45% | 0.448 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -86.1 | -25.1 | 173.5 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | Q249 E250 L256 | Q249-S252 PolarHBondContact O-OG 3.18Å; Q249-S252 VanDerWaalsContact O-OG 3.13Å; E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 3.12Å; S252-L256 PolarHBondContact O-N 3.01Å |
| 253 | L | 41.3 | Very low | 40.4 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 61% | 0.607 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.2 | -44.5 | 177.5 | -157.9 | 72.2 | 0 | 0 | 0 | 111 | E250 Q255 L256 E257 | E250-L253 PolarHBondContact O-N 3.04Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.27Å; L253-L256 PolarHBondContact O-N 3.18Å; L253-L256 VanDerWaalsContact O-N 3.11Å; L253-E257 PolarHBondContact O-N 2.99Å |
| 254 | V | 43.4 | Very low | 40 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -63.3 | -33.5 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | E250 A258 | E250-V254 PolarHBondContact O-N 3.45Å; V254-A258 WeakPolarHBondContact O-CB 3.39Å; V254-A258 PolarHBondContact O-N 3.42Å |
| 255 | Q | 42.5 | Very low | 40 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -73 | -27.6 | 174.9 | -76.6 | -178.6 | 78.5 | 0 | 0 | 113.4 | Q251 L253 T259 | Q251-Q255 PolarHBondContact O-NE2 3.34Å; Q251-Q255 VanDerWaalsContact O-NE2 3.1Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.27Å; Q255-T259 PolarHBondContact O-N 3.08Å; Q255-T259 PolarHBondContact O-OG1 2.84Å |
| 256 | L | 43.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 137 Ų | 137 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -74.2 | -46.4 | 176.3 | -89 | 162.9 | 0 | 0 | 0 | 111.9 | S252 L253 A258 T259 E260 | S252-L256 PolarHBondContact O-N 3.01Å; L253-L256 PolarHBondContact O-N 3.18Å; L253-L256 VanDerWaalsContact O-N 3.11Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 3.01Å; L256-T259 WeakPolarHBondContact O-CB 3.4Å; L256-T259 PolarHBondContact O-N 2.89Å; L256-E260 PolarHBondContact O-N 3.36Å |
| 257 | E | 42.6 | Very low | 40.2 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 60% | 0.603 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -61 | -37.5 | 174 | -68.8 | -169.1 | 153.5 | 0 | 0 | 111.7 | L253 T259 E260 W261 | L253-E257 PolarHBondContact O-N 2.99Å; E257-T259 PolarHBondContact O-N 3.2Å; E257-T259 VanDerWaalsContact O-N 3.1Å; E257-E260 PolarHBondContact O-N 2.99Å; E257-W261 VanDerWaalsContact O-CD1 3.29Å |
| 258 | A | 42.4 | Very low | 40.5 | Very low | 63 Ų | 63 | 138.8 Ų | 138.8 | 52% | 0.521 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -64.7 | -11 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V254 L256 | V254-A258 WeakPolarHBondContact O-CB 3.39Å; V254-A258 PolarHBondContact O-N 3.42Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 3.01Å |
| 259 | T | 42 | Very low | 40.6 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 52% | 0.515 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -99.8 | -30.6 | 179 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | Q255 L256 E257 W261 R262 | Q255-T259 PolarHBondContact O-N 3.08Å; Q255-T259 PolarHBondContact O-OG1 2.84Å; L256-T259 WeakPolarHBondContact O-CB 3.4Å; L256-T259 PolarHBondContact O-N 2.89Å; E257-T259 PolarHBondContact O-N 3.2Å; E257-T259 VanDerWaalsContact O-N 3.1Å; T259-W261 PolarHBondContact O-N 3.5Å; T259-R262 PolarHBondContact O-N 2.91Å |
| 260 | E | 39.8 | Very low | 40.9 | Very low | 157 Ų | 157 | 144 Ų | 144 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -64.7 | -37.4 | -178.2 | -171.1 | 168.8 | 177.1 | 0 | 0 | 113 | L256 E257 R262 L263 | L256-E260 PolarHBondContact O-N 3.36Å; E257-E260 PolarHBondContact O-N 2.99Å; E260-R262 PolarHBondContact O-N 3.06Å; E260-L263 PolarHBondContact O-N 3.46Å |
| 261 | W | 34.4 | Very low | 41 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -2.9 | 177.4 | -68.3 | 100.4 | 0 | 0 | 0 | 115 | E257 T259 | E257-W261 VanDerWaalsContact O-CD1 3.29Å; T259-W261 PolarHBondContact O-N 3.5Å |
| 262 | R | 41.5 | Very low | 40.9 | Very low | 213 Ų | 213 | 145 Ų | 145 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 1.2 | -177 | -150.5 | 179.7 | -68.4 | -133.1 | 2.2 | 114.6 | T259 E260 | T259-R262 PolarHBondContact O-N 2.91Å; E260-R262 PolarHBondContact O-N 3.06Å |
| 263 | L | 41.6 | Very low | 40.5 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -121.1 | 9.5 | -170.3 | -105.2 | 89.4 | 0 | 0 | 0 | 117.6 | E260 | E260-L263 PolarHBondContact O-N 3.46Š|
| 264 | R | 40.5 | Very low | 40.6 | Very low | 245 Ų | 245 | 149 Ų | 149 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -135.8 | 68.8 | 177.3 | -69.3 | -167.7 | 179.3 | -82.2 | 0.8 | 114.1 | | |
| 265 | S | 36.9 | Very low | 40.9 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -154.5 | 38.4 | 169.1 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 266 | G | 36.6 | Very low | 40.7 | Very low | 71 Ų | 71 | 152.2 Ų | 152.2 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | | | trans | -148.3 | 164 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 267 | E | 39.5 | Very low | 40.5 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | | | trans | 79.2 | 63.5 | 170.8 | -153.9 | 162.2 | 108.3 | 0 | 0 | 118.6 | | |
| 268 | E | 43.1 | Very low | 40.5 | Very low | 191 Ų | 191 | 154.3 Ų | 154.3 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | trans | -159 | 81.8 | 149.9 | -161.9 | 173 | 171 | 0 | 0 | 108.1 | | |
| 269 | R | 41.9 | Very low | 40.5 | Very low | 190 Ų | 190 | 160.3 Ų | 160.3 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | | 66.9 | 81.7 | 68.1 | -153.1 | 176.3 | -155.8 | -61.7 | -7.4 | 112 | | |
| 270 | Q | 39.7 | Very low | 40.6 | Very low | 140 Ų | 140 | 163.4 Ų | 163.4 | 65% | 0.654 | 79% | 0.788 | S | S | * | * | | | | 84.9 | 116.6 | 96.7 | -115.8 | 175.4 | -20 | 0 | 0 | 113.8 | | |
| 271 | D | 40.7 | Very low | 40.6 | Very low | 112 Ų | 112 | 164.8 Ų | 164.8 | 60% | 0.599 | 80% | 0.795 | S | S | * | * | | | | 161.8 | 144.9 | 111.4 | -83.5 | -18.1 | 0 | 0 | 0 | 116.9 | | |
| 272 | Y | 36.8 | Very low | 40.7 | Very low | 204 Ų | 204 | 164.3 Ų | 164.3 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | 49.2 | 103.5 | 160.9 | -62.6 | -65.7 | 0 | 0 | 0 | 125.4 | | |
| 273 | S | 40.5 | Very low | 40.7 | Very low | 86 Ų | 86 | 159.8 Ų | 159.8 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | | | | 44.7 | 134.6 | 111.5 | -84.5 | 0 | 0 | 0 | 0 | 125.7 | | |
| 274 | E | 43.2 | Very low | 40.5 | Very low | 178 Ų | 178 | 158.8 Ų | 158.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | | 61.6 | 122.2 | 129.5 | -63 | 163.8 | 101.4 | 0 | 0 | 122.4 | | |
| 275 | E | 49.7 | Very low | 40.7 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | | | | -159.3 | 178.7 | 106.3 | -132.5 | -161.3 | 126.1 | 0 | 0 | 113.3 | | |
| 276 | C | 37.6 | Very low | 40.7 | Very low | 113 Ų | 113 | 150 Ų | 150 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -64.3 | 166.3 | -175 | -64.3 | 0 | 0 | 0 | 0 | 115 | | |
| 277 | G | 39.8 | Very low | 41.2 | Very low | 76 Ų | 76 | 153.9 Ų | 153.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | cis | 106.9 | 93.5 | 7.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 278 | R | 42.7 | Very low | 41.1 | Very low | 218 Ų | 218 | 148.9 Ų | 148.9 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | | | trans | -149.1 | 150.2 | 166.6 | -158.9 | -170.2 | -71 | -107.3 | 0.3 | 111.8 | | |
| 279 | K | 42.9 | Very low | 41.3 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -101.2 | -156.3 | 173.9 | -66.7 | 179.9 | 171.4 | -179.1 | 0 | 110.6 | | |
| 280 | E | 44.1 | Very low | 41.4 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | 95.3 | 98.5 | 176.2 | -60 | 131.8 | -126.8 | 0 | 0 | 112.1 | | |
| 281 | E | 39 | Very low | 41.5 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | cis | 106.8 | 133.3 | 33.8 | -171.2 | 166.1 | -177.4 | 0 | 0 | 111.8 | | |
| 282 | W | 36.8 | Very low | 41.6 | Very low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -80 | 158 | -176.6 | -62.4 | 85.1 | 0 | 0 | 0 | 111.4 | | |
| 283 | P | 40.4 | Very low | 41.8 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | | -149.1 | 166.5 | 106 | 37.1 | -21.5 | 0 | 0 | 0 | 115.9 | | |
| 284 | V | 38.6 | Very low | 41.9 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -111.7 | 130.9 | 164.7 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 285 | P | 43.4 | Very low | 41.8 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -134.8 | 149.6 | 136.7 | 36 | -24.6 | 0 | 0 | 0 | 111.8 | | |
| 286 | G | 37 | Very low | 41.7 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | -122.3 | 154.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 287 | V | 47.2 | Very low | 42 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 93% | 0.927 | 75% | 0.752 | S | S | * | * | | | trans | -151.7 | 145.2 | 160.8 | -93.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 288 | A | 37.2 | Very low | 42.1 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | trans | -106.5 | -170.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 289 | P | 48 | Very low | 42.3 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | cis | -142 | -172 | 2 | 45.3 | -28.1 | 0 | 0 | 0 | 115.7 | | |
| 290 | K | 43.4 | Very low | 42.3 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | 64.9 | 165.4 | 157.9 | -73 | 167.4 | 167.6 | -105.7 | 0 | 114.8 | | |
| 291 | E | 42.3 | Very low | 42.5 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | | | cis | -156.6 | 158.9 | -12.7 | -116.2 | 154.4 | -167.6 | 0 | 0 | 104.2 | | |
| 292 | T | 43.8 | Very low | 42.7 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | cis | -167.1 | 171 | 32.1 | 30.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 293 | A | 41 | Very low | 43 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | trans | 64.7 | 158.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 294 | E | 41.2 | Very low | 43.2 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | | | cis | -166.7 | 172.9 | -18.1 | -104.7 | 167.6 | -122.2 | 0 | 0 | 106.4 | | |
| 295 | L | 42.5 | Very low | 43.4 | Very low | 133 Ų | 133 | 126 Ų | 126 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | | | cis | -155.9 | 144.2 | 5.3 | -132.5 | 170.5 | 0 | 0 | 0 | 108.9 | | |
| 296 | S | 47.5 | Very low | 43.6 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | | | trans | 55.3 | 172.4 | 154.9 | 77.6 | 0 | 0 | 0 | 0 | 120 | | |
| 297 | E | 43.5 | Very low | 44 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | cis | -156.8 | 123.2 | 5.8 | -149.2 | 146.3 | 151.7 | 0 | 0 | 114.8 | | |
| 298 | T | 41.4 | Very low | 43.8 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | | | trans | 60.9 | 168.3 | 153.1 | 66.8 | 0 | 0 | 0 | 0 | 119 | | |
| 299 | L | 47.5 | Very low | 44 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | cis | -155.6 | 127.9 | 14.9 | -167.8 | 56.8 | 0 | 0 | 0 | 112.2 | | |
| 300 | T | 43.1 | Very low | 43.9 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | | | trans | 62.6 | 140.3 | 143.2 | -65 | 0 | 0 | 0 | 0 | 121.1 | | |
| 301 | R | 47.2 | Very low | 44 | Very low | 197 Ų | 197 | 123.3 Ų | 123.3 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | cis | -175.9 | 148.8 | -11.5 | 169.7 | 168.5 | -176 | -126.5 | -16.1 | 110.8 | | |
| 302 | E | 44.7 | Very low | 43.9 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | trans | 9.5 | 154.6 | 150.7 | -60.2 | 175 | 141 | 0 | 0 | 121.6 | | |
| 303 | A | 42.9 | Very low | 43.7 | Very low | 90 Ų | 90 | 122.6 Ų | 122.6 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | | | cis | -159.2 | -172 | -7 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 304 | Q | 43.9 | Very low | 43.6 | Very low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | cis | -158.2 | 141.7 | 16.9 | -159.4 | 164.5 | -16 | 0 | 0 | 105 | | |
| 305 | G | 43 | Very low | 43.6 | Very low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | | 86.3 | 137.9 | 64.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 306 | N | 47.7 | Very low | 43.5 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | cis | -149 | 171.2 | 7 | -66.6 | 32.4 | 0 | 0 | 0 | 111.4 | | |
| 307 | S | 45.8 | Very low | 43.3 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | 3.8 | 154.8 | 149.2 | 60 | 0 | 0 | 0 | 0 | 121.3 | | |
| 308 | S | 42.1 | Very low | 43.2 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | cis | -159.5 | 146.2 | 33.6 | -157.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 309 | A | 40.9 | Very low | 43.5 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | | | cis | 79.1 | 118.9 | 33.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 310 | G | 47.5 | Very low | 43.5 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | 164.4 | 150.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 311 | V | 44.8 | Very low | 43.3 | Very low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | | | | -171.2 | 151.5 | -99 | 150.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 312 | E | 40.9 | Very low | 43.1 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | 65.6 | 154.9 | -179.1 | -64.5 | -55.5 | 96.2 | 0 | 0 | 116.8 | | |
| 313 | A | 39.9 | Very low | 43.1 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | cis | -151.5 | 138.6 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 314 | A | 38.7 | Very low | 43.3 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | | | | 81.2 | 155.3 | 71.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 315 | E | 40.6 | Very low | 43.2 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 78.8 | 140.5 | -170 | -52.3 | -149.9 | 106.8 | 0 | 0 | 116.3 | | |
| 316 | Q | 40.2 | Very low | 43.4 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | cis | -157 | 125.6 | -8.8 | -118.1 | -171 | 58.2 | 0 | 0 | 112.8 | | |
| 317 | R | 43.8 | Very low | 43.8 | Very low | 227 Ų | 227 | 137.5 Ų | 137.5 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | trans | 66.6 | 161.6 | 146.4 | -59.8 | -72.4 | -98.5 | 158.7 | -5.1 | 121 | | |
| 318 | P | 41.9 | Very low | 44.2 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | trans | -130.4 | 174.9 | -153.5 | 44.6 | -30.4 | 0 | 0 | 0 | 116.7 | | |
| 319 | V | 45.9 | Very low | 44.4 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -179.3 | 165.3 | 139.4 | 133.5 | 0 | 0 | 0 | 0 | 112 | | |
| 320 | E | 47.6 | Very low | 44.8 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | 77.5 | 153 | -179.8 | -63.9 | -57.8 | 85.3 | 0 | 0 | 119.8 | | |
| 321 | D | 39.7 | Very low | 44.9 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -116.4 | 169 | -167 | -171.7 | 10.6 | 0 | 0 | 0 | 111.4 | | |
| 322 | G | 43.2 | Very low | 44.8 | Very low | 60 Ų | 60 | 147.3 Ų | 147.3 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | | | trans | 149.5 | 79.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 323 | E | 44.5 | Very low | 45.7 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -56 | 137.3 | 172.6 | -59.8 | -171.4 | 114.4 | 0 | 0 | 113 | | |
| 324 | R | 46.2 | Very low | 45.8 | Very low | 230 Ų | 230 | 155.3 Ų | 155.3 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -145.8 | 84.9 | 169.1 | -152.6 | 171.6 | -60.7 | -92.9 | -2.4 | 111.8 | | |
| 325 | G | 42 | Very low | 47.1 | Very low | 75 Ų | 75 | 155.6 Ų | 155.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 145.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 326 | M | 47.7 | Very low | 47.2 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 139.4 | 173.5 | -71.5 | -66.9 | 169.4 | 0 | 0 | 111.3 | | |
| 327 | K | 55.6 | Low | 47.8 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81 | 128 | -165.2 | -58.6 | 167.7 | -177.7 | 174.2 | 0 | 113 | | |
| 328 | P | 55 | Low | 47.5 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 130 | 148.9 | 31.7 | -29.7 | 0 | 0 | 0 | 109.2 | E330 | P328-E330 PolarHBondContact O-N 3.39Å; P328-E330 VanDerWaalsContact O-N 3.17Å |
| 329 | T | 45.8 | Very low | 47.7 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | trans | -84.9 | 86.3 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | G331 | T329-G331 PolarHBondContact O-N 3.49Š|
| 330 | E | 48.4 | Very low | 47.8 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | trans | -72.7 | 113 | -179.6 | -63 | -163.4 | 133.8 | 0 | 0 | 112.4 | P328 W332 | P328-E330 PolarHBondContact O-N 3.39Å; P328-E330 VanDerWaalsContact O-N 3.17Å; E330-W332 PolarHBondContact O-N 3.41Å |
| 331 | G | 49.5 | Very low | 47.4 | Very low | 69 Ų | 69 | 148.6 Ų | 148.6 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -73.3 | 118.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | T329 K333 | T329-G331 PolarHBondContact O-N 3.49Å; G331-K333 PolarHBondContact O-N 3.15Å |
| 332 | W | 43.3 | Very low | 48.1 | Very low | 231 Ų | 231 | 150 Ų | 150 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | | | trans | -59.3 | 106.1 | -179.2 | -70.3 | -4.6 | 0 | 0 | 0 | 113 | E330 W334 | E330-W332 PolarHBondContact O-N 3.41Å; W332-W334 PolarHBondContact O-N 3.26Å |
| 333 | K | 60.7 | Low | 48.3 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | | | trans | -99.3 | 85.7 | -173.7 | -174.1 | -177.3 | 177.1 | -174.1 | 0 | 110.5 | G331 T335 | G331-K333 PolarHBondContact O-N 3.15Å; K333-T335 PolarHBondContact O-N 3.24Å |
| 334 | W | 41.9 | Very low | 48 | Very low | 235 Ų | 235 | 156.6 Ų | 156.6 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | -63.8 | 96.3 | 177.5 | -70.2 | 83 | 0 | 0 | 0 | 111.7 | W332 L336 | W332-W334 PolarHBondContact O-N 3.26Å; W334-L336 PolarHBondContact O-N 3.23Å |
| 335 | T | 65 | Low | 47.8 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 59% | 0.589 | 79% | 0.791 | S | S | * | * | | | trans | -75.9 | 116.2 | 168.6 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | K333 N337 | K333-T335 PolarHBondContact O-N 3.24Å; T335-N337 PolarHBondContact O-N 3.32Å |
| 336 | L | 43.4 | Very low | 47.7 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -76 | 87.1 | -178.4 | -165.9 | 145.5 | 0 | 0 | 0 | 110 | W334 S338 | W334-L336 PolarHBondContact O-N 3.23Å; L336-S338 PolarHBondContact O-N 3.06Å |
| 337 | N | 52.5 | Low | 47.4 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -68.2 | 111.3 | -179.3 | -72.9 | -12.3 | 0 | 0 | 0 | 110.7 | T335 G339 | T335-N337 PolarHBondContact O-N 3.32Å; N337-G339 PolarHBondContact O-N 2.96Å |
| 338 | S | 38.7 | Very low | 46.4 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -74.8 | 67.2 | 172.7 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | L336 | L336-S338 PolarHBondContact O-N 3.06Š|
| 339 | G | 46.2 | Very low | 46.4 | Very low | 65 Ų | 65 | 153.7 Ų | 153.7 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | trans | -88.9 | 137.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N337 | N337-G339 PolarHBondContact O-N 2.96Š|
| 340 | K | 46.7 | Very low | 46.5 | Very low | 208 Ų | 208 | 155.4 Ų | 155.4 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 136.5 | 175.2 | -63.3 | -178.6 | -179.4 | -179.9 | 0 | 109.8 | R342 | K340-R342 PolarHBondContact O-N 3.05Å; K340-R342 VanDerWaalsContact O-N 3.15Å |
| 341 | A | 40.4 | Very low | 46.1 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | | | trans | -63.3 | 115.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | E343 | A341-E343 PolarHBondContact O-N 3.4Š|
| 342 | R | 54.5 | Low | 45.6 | Very low | 189 Ų | 189 | 157 Ų | 157 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -88.8 | 97.5 | 175.1 | -173.7 | -176.3 | -164.9 | -107.1 | 11.6 | 107.9 | K340 W344 | K340-R342 PolarHBondContact O-N 3.05Å; K340-R342 VanDerWaalsContact O-N 3.15Å; R342-W344 VanDerWaalsContact NH1-CE2 3.26Å; R342-W344 VanDerWaalsContact NH1-NE1 3.14Å; R342-W344 PolarHBondContact O-N 3.29Å |
| 343 | E | 46.6 | Very low | 45.3 | Very low | 179 Ų | 179 | 152.1 Ų | 152.1 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -59.3 | 122.4 | 172 | -171.5 | 165.7 | -148.2 | 0 | 0 | 109.5 | A341 | A341-E343 PolarHBondContact O-N 3.4Š|
| 344 | W | 37.6 | Very low | 44.3 | Very low | 209 Ų | 209 | 152.1 Ų | 152.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -101.2 | 103.9 | 174.5 | -90.2 | 71.7 | 0 | 0 | 0 | 108.2 | R342 | R342-W344 VanDerWaalsContact NH1-CE2 3.26Å; R342-W344 VanDerWaalsContact NH1-NE1 3.14Å; R342-W344 PolarHBondContact O-N 3.29Å |
| 345 | T | 41.5 | Very low | 43.9 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -85.8 | 127.3 | 162.5 | 25.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 346 | P | 41.2 | Very low | 42.9 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -71.3 | 131.2 | 168.4 | 29.8 | -32.1 | 0 | 0 | 0 | 109.3 | | |
| 347 | R | 41.1 | Very low | 42.5 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | trans | -139.6 | 123.8 | 168.1 | -80.8 | -162 | 168 | -75.8 | -1.2 | 110.8 | | |
| 348 | D | 35.2 | Very low | 42.5 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | 39 | 89.8 | 135.3 | -43.3 | -44.1 | 0 | 0 | 0 | 117.3 | | |
| 349 | I | 54.2 | Low | 43 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -133.9 | 128.3 | 157.3 | -43.4 | 176.2 | 0 | 0 | 0 | 102.6 | | |
| 350 | E | 47.4 | Very low | 42.5 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | cis | -151.5 | 124.1 | 34 | -150.9 | 159.3 | -172.4 | 0 | 0 | 107.3 | | |
| 351 | A | 41.4 | Very low | 42.4 | Very low | 81 Ų | 81 | 147.9 Ų | 147.9 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | | 68.8 | 91.3 | 71.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 352 | Q | 37.2 | Very low | 42.4 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | 67.9 | 129.6 | 161.1 | -55.2 | -174.5 | 86.2 | 0 | 0 | 117.4 | | |
| 353 | T | 38.7 | Very low | 41.8 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | -158.4 | 135.3 | 77.6 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 354 | Q | 38.5 | Very low | 41.6 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | 15.2 | 136 | 161.5 | -57.4 | -173.8 | 6.3 | 0 | 0 | 122.7 | | |
| 355 | K | 34.1 | Very low | 41.7 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 70% | 0.704 | 75% | 0.752 | S | S | * | * | | | trans | -112.7 | 142.9 | 170.4 | 168.6 | -175.7 | 175.3 | -174.7 | 0 | 111.2 | E357 | K355-E357 WeakPolarHBondContact CE-OE1 3.4Å; K355-E357 IonicContact NZ-OE1 3.17Å; K355-E357 PolarHBondContact NZ-OE1 3.33Å |
| 356 | P | 43.6 | Very low | 41.6 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -115.7 | 168.2 | 149.2 | 17.1 | 2.9 | 0 | 0 | 0 | 113.3 | | |
| 357 | E | 35.9 | Very low | 41.3 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | trans | -97.9 | 167.2 | -178 | -79.1 | -76.4 | 147.4 | 0 | 0 | 112.9 | K355 | K355-E357 WeakPolarHBondContact CE-OE1 3.4Å; K355-E357 IonicContact NZ-OE1 3.17Å; K355-E357 PolarHBondContact NZ-OE1 3.33Å |
| 358 | P | 52.1 | Low | 41 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | -100.5 | 179.6 | -173.2 | 40.9 | -35.3 | 0 | 0 | 0 | 113.9 | | |
| 359 | P | 49.7 | Very low | 41.5 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | trans | -128.8 | 125.5 | 155.8 | 35.5 | -21.8 | 0 | 0 | 0 | 115.3 | | |
| 360 | E | 34.2 | Very low | 40.4 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | | 46.6 | 109.3 | 124.5 | -55 | -174.9 | 134.8 | 0 | 0 | 122.2 | | |
| 361 | S | 45.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | -162.8 | 110 | 138.4 | -74.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 362 | A | 41 | Very low | 40.3 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | | 68.5 | 124.1 | 81.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 363 | E | 42 | Very low | 40.4 | Very low | 144 Ų | 144 | 132 Ų | 132 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | | | cis | -162.2 | 146.3 | 2.1 | -106.7 | 177.1 | 124.9 | 0 | 0 | 111.2 | | |
| 364 | K | 41.8 | Very low | 40.4 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | | | trans | 52 | 149.5 | 135.4 | -60.5 | 171.8 | -178.8 | 164.8 | 0 | 121.1 | | |
| 365 | L | 39.1 | Very low | 40.4 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | cis | -171.4 | 144.7 | -7.4 | -107.7 | 167.8 | 0 | 0 | 0 | 108.8 | | |
| 366 | L | 39.5 | Very low | 40.6 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | trans | 64 | 161.2 | 153.9 | -54.2 | 168.6 | 0 | 0 | 0 | 117.2 | | |
| 367 | E | 34.9 | Very low | 40.3 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | cis | -154.1 | 171.8 | -12.5 | -122.8 | 162.4 | 151.1 | 0 | 0 | 110.2 | | |
| 368 | S | 36.3 | Very low | 40.5 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -106.3 | 152 | 170.2 | -49.6 | 0 | 0 | 0 | 0 | 110 | | |
| 369 | P | 44 | Very low | 40.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | | -137.5 | -168 | 64.1 | 37.7 | -18.1 | 0 | 0 | 0 | 112.7 | | |
| 370 | G | 32.3 | Very low | 40.1 | Very low | 60 Ų | 60 | 133 Ų | 133 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | | | cis | 114.7 | 144.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 371 | V | 43.8 | Very low | 40.5 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | | | trans | 71.3 | 146.7 | -174 | 119 | 0 | 0 | 0 | 0 | 113.5 | | |
| 372 | E | 43.2 | Very low | 40.4 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | cis | -141.1 | -172.3 | 7.4 | -118.1 | -48.3 | 142.8 | 0 | 0 | 110.4 | | |
| 373 | A | 39.4 | Very low | 40.4 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -63.9 | 170.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 374 | G | 37.4 | Very low | 40.2 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | | | cis | 161.2 | -176.5 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 375 | E | 37.9 | Very low | 40.3 | Very low | 207 Ų | 207 | 127 Ų | 127 | 97% | 0.967 | 76% | 0.764 | S | S | * | * | | | trans | 68 | 163.8 | 169.7 | -53.8 | -177.4 | 178.3 | 0 | 0 | 117.8 | | |
| 376 | G | 39.7 | Very low | 40.4 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | 86.4 | 88 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 377 | E | 37.7 | Very low | 40.6 | Very low | 196 Ų | 196 | 127.5 Ų | 127.5 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | | 77.8 | 130.1 | 69.4 | -67.6 | -143.4 | 109.3 | 0 | 0 | 116.4 | | |
| 378 | A | 40 | Very low | 41.2 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | trans | 36.8 | 115.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 379 | E | 45.5 | Very low | 41.6 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | | -171.9 | 143.8 | 99.6 | -92.1 | 176.9 | 160.2 | 0 | 0 | 108.2 | | |
| 380 | K | 46.4 | Very low | 41.5 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | | 49.9 | 131.8 | 79.4 | -93.1 | 176.1 | 165.2 | -88.2 | 0 | 112.8 | | |
| 381 | E | 43.3 | Very low | 41.8 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | cis | -166.2 | 151.6 | 2 | -169.4 | 166.1 | 155.3 | 0 | 0 | 109.6 | | |
| 382 | E | 42.4 | Very low | 41.5 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | 57.5 | 163.3 | 170.4 | -82.1 | -158.2 | 122.5 | 0 | 0 | 117.7 | | |
| 383 | A | 42 | Very low | 41.4 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | cis | -156.3 | 165.1 | -25.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 384 | G | 38.5 | Very low | 41.6 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 120.1 | 110.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 385 | A | 43.3 | Very low | 42.1 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | | 78.2 | 105.3 | 129.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 386 | Q | 41.5 | Very low | 42.1 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | 74.7 | 99.3 | 139.2 | -50.1 | -63.6 | 1.6 | 0 | 0 | 119.8 | | |
| 387 | G | 43 | Very low | 42 | Very low | 77 Ų | 77 | 144.7 Ų | 144.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -157.1 | 124.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 388 | R | 48.3 | Very low | 42.2 | Very low | 252 Ų | 252 | 140.5 Ų | 140.5 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | 157.3 | -173.8 | -111.4 | -172.6 | 144 | -159.9 | -4.9 | 112.7 | | |
| 389 | P | 43.8 | Very low | 42.6 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -97.7 | 173.1 | -163.8 | 40 | -37.8 | 0 | 0 | 0 | 113.9 | | |
| 390 | L | 41.9 | Very low | 42.7 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -168.2 | 124.2 | 147.8 | -110.7 | 177.2 | 0 | 0 | 0 | 112.8 | | |
| 391 | R | 39.1 | Very low | 42.5 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | 143.9 | 151.2 | 140.9 | -77.2 | 157.6 | -162.8 | -96.1 | -0.7 | 114 | | |
| 392 | A | 37.4 | Very low | 42.7 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | 58.9 | 102.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 393 | L | 40.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -122.6 | 144.5 | 152.1 | -160.6 | 79.2 | 0 | 0 | 0 | 109.8 | | |
| 394 | Q | 45 | Very low | 43.6 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | | | trans | -76.2 | 147.7 | -172.7 | -52.3 | 120.7 | -15.9 | 0 | 0 | 112.8 | | |
| 395 | N | 46.9 | Very low | 44.3 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -99 | 81.6 | 161.4 | -96.1 | -35.5 | 0 | 0 | 0 | 110.1 | C397 | N395-C397 PolarHBondContact O-N 2.89Š|
| 396 | C | 37.1 | Very low | 44.6 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 68% | 0.676 | 81% | 0.811 | S | S | * | * | | | trans | -90.9 | 79.1 | 177.2 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | S398 | C396-S398 PolarHBondContact O-N 3.15Š|
| 397 | C | 39.5 | Very low | 44.9 | Very low | 121 Ų | 121 | 142 Ų | 142 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -75.9 | 68.6 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | N395 | N395-C397 PolarHBondContact O-N 2.89Š|
| 398 | S | 41.5 | Very low | 45 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -109.5 | 110.7 | 168.7 | -68.2 | 0 | 0 | 0 | 0 | 110.1 | C396 | C396-S398 PolarHBondContact O-N 3.15Š|
| 399 | V | 47.9 | Very low | 44.8 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | -107.2 | 116.1 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 109 | | |
| 400 | P | 47.8 | Very low | 45 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | | | trans | -107.6 | 149.2 | -178.8 | 37.3 | -30.9 | 0 | 0 | 0 | 114.2 | | |
| 401 | S | 42.2 | Very low | 45.1 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 68.2 | 169.5 | 153.3 | -62.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 402 | P | 46.9 | Very low | 45.2 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | cis | -123.5 | 173.3 | -0.6 | 41 | -27.4 | 0 | 0 | 0 | 115.7 | | |
| 403 | L | 42.1 | Very low | 45.7 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -133.8 | 134.2 | 159.4 | -82.9 | 171.3 | 0 | 0 | 0 | 109.1 | | |
| 404 | P | 61.4 | Low | 45.7 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | | | trans | -88.1 | 153.6 | 173.6 | 35.3 | -33.7 | 0 | 0 | 0 | 112.3 | | |
| 405 | P | 53.7 | Low | 45.6 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -106.6 | 124.5 | 171.2 | 35.5 | -26.6 | 0 | 0 | 0 | 112.6 | | |
| 406 | E | 49.6 | Very low | 45.2 | Very low | 188 Ų | 188 | 126.9 Ų | 126.9 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -139.5 | 111.1 | 171.8 | -67.7 | -172.8 | 110.4 | 0 | 0 | 111.3 | | |
| 407 | D | 47.5 | Very low | 45.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | | 157.8 | 165.4 | 119 | -161.5 | 21.5 | 0 | 0 | 0 | 112.7 | | |
| 408 | A | 45.3 | Very low | 45.6 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -34.5 | 152.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 409 | G | 44.1 | Very low | 45.6 | Very low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | cis | 154.4 | -176.2 | -2.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 410 | T | 48.4 | Very low | 45 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | | | trans | 83.7 | 97.4 | 166.5 | -45.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 411 | G | 42.6 | Very low | 44.8 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 85.1 | 133.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 412 | G | 42.4 | Very low | 44.4 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | cis | 155.8 | 148.8 | -10.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 413 | L | 46.7 | Very low | 44.3 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | 70.1 | 147.5 | 172.3 | -56.9 | 171 | 0 | 0 | 0 | 116.3 | | |
| 414 | R | 41.1 | Very low | 44.2 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | | | cis | -172 | 126.8 | -15 | 162.6 | 179.1 | 177 | -81.7 | 2.8 | 110.5 | | |
| 415 | Q | 43.5 | Very low | 43.3 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | | | trans | 65.5 | 159.4 | 158.7 | -78.3 | 171.7 | -5.6 | 0 | 0 | 117.3 | | |
| 416 | Q | 38.9 | Very low | 43.7 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | cis | -160.5 | 123.4 | -5.2 | 156.2 | -173 | -11.3 | 0 | 0 | 105.3 | | |
| 417 | E | 39.8 | Very low | 43.9 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | 81.2 | 169.9 | 89.6 | -145.5 | 167.6 | 83.6 | 0 | 0 | 114 | | |
| 418 | E | 43.5 | Very low | 43.8 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | | | trans | 67 | 97.7 | -170.8 | -101.3 | 163.3 | 90.2 | 0 | 0 | 115.1 | | |
| 419 | E | 41.4 | Very low | 43.8 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | | 81.4 | 94 | 76.4 | -164.7 | 173.6 | 126.2 | 0 | 0 | 111.3 | | |
| 420 | A | 35.3 | Very low | 43.7 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | | 74.3 | 82.1 | 67.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 421 | V | 43.4 | Very low | 43.4 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | -130.3 | 126.1 | 153 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 422 | E | 34.4 | Very low | 43.9 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | -88.7 | 122.1 | 176.6 | 171.3 | -169.6 | 135.4 | 0 | 0 | 110.4 | | |
| 423 | L | 44.4 | Very low | 44.9 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -153.7 | 162.5 | 161.4 | -83.3 | -168.1 | 0 | 0 | 0 | 112.4 | | |
| 424 | Q | 40.7 | Very low | 45.9 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 162 | -165.3 | -99.8 | -163.3 | -95.3 | 0 | 0 | 117.8 | | |
| 425 | P | 42.8 | Very low | 47.2 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 160.7 | -176.8 | 39.3 | -35.9 | 0 | 0 | 0 | 115.5 | | |
| 426 | P | 61.6 | Low | 48 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 147.7 | 160.1 | 36.2 | -31.1 | 0 | 0 | 0 | 112.9 | | |
| 427 | P | 53.4 | Low | 49.1 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -94.2 | -176.7 | 174.7 | 43.8 | -39.3 | 0 | 0 | 0 | 111.1 | | |
| 428 | P | 46 | Very low | 50 | Low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | | -116.6 | 158.3 | -100.6 | 30.8 | -12.1 | 0 | 0 | 0 | 114.8 | | |
| 429 | A | 46.5 | Very low | 50.1 | Low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -119.2 | 122.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 430 | P | 40.5 | Very low | 50.7 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -89.7 | 132 | -177.9 | 33.7 | -32.6 | 0 | 0 | 0 | 112.2 | | |
| 431 | L | 42.2 | Very low | 51.8 | Low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -132.5 | 131.6 | 176.2 | -70.3 | 175.5 | 0 | 0 | 0 | 112.9 | | |
| 432 | S | 53.5 | Low | 52.2 | Low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | 66.3 | 98.3 | 160.3 | -57.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 433 | P | 62.4 | Low | 53.5 | Low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 154.3 | 162.1 | 33 | -34.5 | 0 | 0 | 0 | 111.9 | | |
| 434 | P | 67.8 | Low | 54.2 | Low | 116 Ų | 116 | 124.3 Ų | 124.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 156 | 174.8 | 30.8 | -35.4 | 0 | 0 | 0 | 112.5 | | |
| 435 | P | 69.1 | Low | 54.5 | Low | 118 Ų | 118 | 118.9 Ų | 118.9 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 151.1 | -177.8 | 29.3 | -35.8 | 0 | 0 | 0 | 113 | | |
| 436 | P | 59.6 | Low | 54.9 | Low | 129 Ų | 129 | 119 Ų | 119 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 135.9 | 180 | 28.6 | -34.7 | 0 | 0 | 0 | 112.2 | | |
| 437 | A | 62.9 | Low | 55 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 147.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 438 | P | 59.4 | Low | 55.1 | Low | 128 Ų | 128 | 118 Ų | 118 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 136.3 | -177.1 | 27.6 | -35 | 0 | 0 | 0 | 112.5 | A440 | P438-A440 PolarHBondContact O-N 2.77Š|
| 439 | T | 44.9 | Very low | 55.4 | Low | 144 Ų | 144 | 119.1 Ų | 119.1 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | -65.8 | 102.3 | 177.1 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 440 | A | 53 | Low | 55.7 | Low | 82 Ų | 82 | 119.2 Ų | 119.2 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | P438 Q442 | P438-A440 PolarHBondContact O-N 2.77Å; A440-Q442 PolarHBondContact O-N 3.06Å |
| 441 | P | 59.8 | Low | 56.5 | Low | 124 Ų | 124 | 123.4 Ų | 123.4 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 133.2 | -178.9 | 27.6 | -34.1 | 0 | 0 | 0 | 111 | | |
| 442 | Q | 51 | Low | 57.2 | Low | 179 Ų | 179 | 122.2 Ų | 122.2 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.4 | 169.6 | -71.9 | -127.3 | -33 | 0 | 0 | 110.2 | A440 | A440-Q442 PolarHBondContact O-N 3.06Š|
| 443 | P | 63 | Low | 57.3 | Low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 141.4 | 165.2 | 29.5 | -33.2 | 0 | 0 | 0 | 109.1 | G445 | P443-G445 PolarHBondContact O-N 3.14Š|
| 444 | P | 58 | Low | 56.5 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 124.7 | 178.6 | 25.5 | -33.5 | 0 | 0 | 0 | 110.2 | D446 | P444-D446 PolarHBondContact O-N 2.97Š|
| 445 | G | 46.6 | Very low | 55.4 | Low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 129 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P443 P447 | P443-G445 PolarHBondContact O-N 3.14Å; G445-P447 VanDerWaalsContact O-CD 3.32Å; G445-P447 WeakPolarHBondContact O-CD 3.43Å |
| 446 | D | 51.2 | Low | 54.3 | Low | 105 Ų | 105 | 129 Ų | 129 | 56% | 0.561 | 76% | 0.756 | S | S | * | * | | | trans | -70.4 | 110.1 | -172.5 | -151.4 | -29.6 | 0 | 0 | 0 | 111.3 | P444 L448 M449 | P444-D446 PolarHBondContact O-N 2.97Å; D446-L448 PolarHBondContact O-N 3.01Å; D446-M449 PolarHBondContact O-N 3.01Å |
| 447 | P | 63.8 | Low | 54.1 | Low | 93 Ų | 93 | 132.6 Ų | 132.6 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -4.1 | -167.9 | 29.6 | -36.4 | 0 | 0 | 0 | 113.8 | G445 | G445-P447 VanDerWaalsContact O-CD 3.32Å; G445-P447 WeakPolarHBondContact O-CD 3.43Å |
| 448 | L | 56.7 | Low | 53.2 | Low | 126 Ų | 126 | 133.7 Ų | 133.7 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -33.3 | 178.4 | -65 | 174.7 | 0 | 0 | 0 | 113 | D446 | D446-L448 PolarHBondContact O-N 3.01Š|
| 449 | M | 51.7 | Low | 52.4 | Low | 150 Ų | 150 | 130.6 Ų | 130.6 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -34.8 | -178.8 | -64.9 | -158.4 | 75.4 | 0 | 0 | 112.6 | D446 R451 | D446-M449 PolarHBondContact O-N 3.01Å; M449-R451 PolarHBondContact O-N 3.34Å |
| 450 | S | 52.4 | Low | 52.5 | Low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -67.2 | -20.3 | 178.7 | -50.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 451 | R | 58.1 | Low | 52.2 | Low | 212 Ų | 212 | 130 Ų | 130 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -82.5 | -7.5 | -176.3 | -83.6 | -174.5 | 160.6 | -135.8 | -4.8 | 115.1 | M449 | M449-R451 PolarHBondContact O-N 3.34Š|
| 452 | L | 57.5 | Low | 51.9 | Low | 137 Ų | 137 | 131.4 Ų | 131.4 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -90.8 | -7.6 | -174.7 | -66.7 | 175.4 | 0 | 0 | 0 | 115 | | |
| 453 | F | 54.8 | Low | 51.6 | Low | 173 Ų | 173 | 126.3 Ų | 126.3 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -127.3 | -9.4 | -171 | -72.6 | -79.3 | 0 | 0 | 0 | 116.7 | | |
| 454 | Y | 45.6 | Very low | 51 | Low | 222 Ų | 222 | 125.6 Ų | 125.6 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | | | trans | -129.4 | 90.4 | 176.3 | -74.1 | -80.6 | 0 | 0 | 0 | 111.5 | | |
| 455 | G | 44.4 | Very low | 50.9 | Low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | -150.2 | 16 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K457 | G455-K457 PolarHBondContact O-N 3.27Š|
| 456 | V | 46.1 | Very low | 51.3 | Low | 142 Ų | 142 | 131 Ų | 131 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | trans | -78.8 | 101.7 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 457 | K | 55 | Low | 51.4 | Low | 203 Ų | 203 | 138.3 Ų | 138.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -137.8 | 130.3 | 158.5 | -66.5 | -63.4 | 173.8 | -174 | 0 | 108.3 | G455 | G455-K457 PolarHBondContact O-N 3.27Š|
| 458 | A | 44.2 | Very low | 50.8 | Low | 112 Ų | 112 | 139 Ų | 139 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | | | trans | -80.3 | 143.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 459 | G | 43.1 | Very low | 50.7 | Low | 64 Ų | 64 | 136.4 Ų | 136.4 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | trans | -151.7 | 149.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 460 | P | 47.2 | Very low | 50.5 | Low | 145 Ų | 145 | 137.2 Ų | 137.2 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | | | trans | -93.5 | 129.4 | -152.3 | -7.5 | 27.2 | 0 | 0 | 0 | 114.5 | | |
| 461 | G | 45.8 | Very low | 50.8 | Low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | trans | 128.2 | 147.6 | 158 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 462 | V | 53.7 | Low | 51.3 | Low | 153 Ų | 153 | 135.4 Ų | 135.4 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | | | trans | 64.9 | 104.6 | 176.1 | -167.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 463 | G | 44.2 | Very low | 51.8 | Low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -81.4 | 168.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 464 | A | 50.5 | Low | 52.7 | Low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -69 | 146.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R466 | A464-R466 PolarHBondContact O-N 2.97Š|
| 465 | P | 57.5 | Low | 53.8 | Low | 128 Ų | 128 | 126.9 Ų | 126.9 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -70.3 | 115.1 | 168.9 | 29.2 | -32.9 | 0 | 0 | 0 | 110.5 | R467 | P465-R467 PolarHBondContact O-N 3.44Š|
| 466 | R | 55 | Low | 55 | Low | 187 Ų | 187 | 128.5 Ų | 128.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -63.2 | 127.9 | 180 | -70.1 | -171.4 | 177.2 | -165.7 | 2.7 | 111.6 | A464 S468 I540 | A464-R466 PolarHBondContact O-N 2.97Å; R466-S468 PolarHBondContact O-N 3.32Å; R466-S468 VanDerWaalsContact O-N 3.09Å; R466-I540 PolarHBondContact NH2-O 2.87Å |
| 467 | R | 51.2 | Low | 55.9 | Low | 258 Ų | 258 | 133.6 Ų | 133.6 | 97% | 0.974 | 78% | 0.78 | S | S | * | * | | | trans | -73.1 | 92.3 | 166.2 | -79.7 | 171.8 | 58.2 | -146.3 | -1.7 | 110.4 | P465 | P465-R467 PolarHBondContact O-N 3.44Š|
| 468 | S | 52.8 | Low | 55.9 | Low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -141.2 | 109.6 | 171.5 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | R466 | R466-S468 PolarHBondContact O-N 3.32Å; R466-S468 VanDerWaalsContact O-N 3.09Å |
| 469 | G | 54.1 | Low | 56.3 | Low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | -177.8 | 54.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T471 | G469-T471 PolarHBondContact O-N 3.24Å; G469-T471 VanDerWaalsContact O-N 3.16Å |
| 470 | H | 47.9 | Very low | 57.2 | Low | 166 Ų | 166 | 138.7 Ų | 138.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -72.3 | 104.5 | 174.4 | -178.2 | 86.1 | 0 | 0 | 0 | 109.7 | F472 | H470-F472 AromaticContact NE2-CD1 3.64Š|
| 471 | T | 57.8 | Low | 58 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | | | trans | -143.8 | 115.3 | 171.9 | -61.7 | 0 | 0 | 0 | 0 | 107.6 | G469 | G469-T471 PolarHBondContact O-N 3.24Å; G469-T471 VanDerWaalsContact O-N 3.16Å |
| 472 | F | 70 | Confident | 58.8 | Low | 151 Ų | 151 | 139.7 Ų | 139.7 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | | | trans | -107.1 | 113.4 | 179.3 | 65.9 | -82.9 | 0 | 0 | 0 | 108.9 | H470 V474 | H470-F472 AromaticContact NE2-CD1 3.64Å; F472-V474 HydrophobicContact CD2-CG2 3.63Å; F472-V474 HydrophobicContact CE2-CG2 3.82Å; F472-V474 PolarHBondContact O-N 3.4Å |
| 473 | T | 67.5 | Low | 58.5 | Low | 110 Ų | 110 | 136.6 Ų | 136.6 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | trans | -90.5 | 102.9 | 178.9 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | N475 | T473-N475 PolarHBondContact O-N 3.47Š|
| 474 | V | 73.8 | Confident | 58.6 | Low | 109 Ų | 109 | 140 Ų | 140 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | | | trans | -83.7 | 99.1 | 172.9 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | F472 P476 | F472-V474 HydrophobicContact CD2-CG2 3.63Å; F472-V474 HydrophobicContact CE2-CG2 3.82Å; F472-V474 PolarHBondContact O-N 3.4Å; V474-P476 WeakPolarHBondContact O-CD 3.34Å |
| 475 | N | 67.7 | Low | 58.5 | Low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | -91 | 103.4 | 167.6 | -79.5 | -51.7 | 0 | 0 | 0 | 109.4 | T473 R477 | T473-N475 PolarHBondContact O-N 3.47Å; N475-R477 PolarHBondContact O-N 3.17Å; N475-R477 VanDerWaalsContact O-N 3.12Å |
| 476 | P | 69.2 | Low | 57.7 | Low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -69.5 | 108.3 | 172.5 | 28.8 | -33.4 | 0 | 0 | 0 | 109.4 | V474 R478 | V474-P476 WeakPolarHBondContact O-CD 3.34Å; P476-R478 PolarHBondContact O-N 3.03Å |
| 477 | R | 65.8 | Low | 57.2 | Low | 249 Ų | 249 | 137.4 Ų | 137.4 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | | | trans | -61.3 | 103.1 | 170.3 | -79.7 | -172.7 | 165.9 | -155.4 | -4.7 | 109.1 | N475 S479 | N475-R477 PolarHBondContact O-N 3.17Å; N475-R477 VanDerWaalsContact O-N 3.12Å; R477-S479 PolarHBondContact O-N 2.99Å |
| 478 | R | 54.7 | Low | 56.7 | Low | 238 Ų | 238 | 130.6 Ų | 130.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 127.1 | 167.5 | -61.3 | -177.4 | 78.5 | -165.2 | 4.8 | 107.8 | P476 | P476-R478 PolarHBondContact O-N 3.03Š|
| 479 | S | 52.4 | Low | 56.3 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.7 | 171.2 | 39.3 | 0 | 0 | 0 | 0 | 110.2 | R477 P481 | R477-S479 PolarHBondContact O-N 2.99Å; S479-P481 WeakPolarHBondContact O-CD 3.26Å |
| 480 | V | 61.8 | Low | 55.5 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123 | 171.7 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 481 | P | 65.6 | Low | 55.5 | Low | 99 Ų | 99 | 132.6 Ų | 132.6 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 137.2 | 166.3 | 32 | -31.5 | 0 | 0 | 0 | 109.5 | S479 A483 | S479-P481 WeakPolarHBondContact O-CD 3.26Å; P481-A483 PolarHBondContact O-N 3.18Å |
| 482 | P | 62.5 | Low | 54.6 | Low | 134 Ų | 134 | 131.2 Ų | 131.2 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 131.4 | 170.7 | 29 | -33.2 | 0 | 0 | 0 | 109.6 | | |
| 483 | A | 46.2 | Very low | 53 | Low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -124.1 | 120.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P481 | P481-A483 PolarHBondContact O-N 3.18Š|
| 484 | T | 47.5 | Very low | 51.7 | Low | 144 Ų | 144 | 131 Ų | 131 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -160.3 | 152.7 | 155.2 | 24 | 0 | 0 | 0 | 0 | 109.5 | | |
| 485 | P | 47.3 | Very low | 50.1 | Low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -134.7 | 159 | -140.8 | 40.7 | -24.3 | 0 | 0 | 0 | 118.2 | | |
| 486 | A | 40.8 | Very low | 48.6 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -169.5 | 147.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 487 | T | 43.8 | Very low | 47.1 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | | | cis | -154.8 | 156.2 | -10.9 | 7.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 488 | P | 42.2 | Very low | 46.2 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | | | trans | -98.6 | 157.1 | -167.4 | 37.3 | -35 | 0 | 0 | 0 | 115.8 | | |
| 489 | T | 44.3 | Very low | 46.2 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | | | trans | -150.4 | 148.2 | 159.9 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 490 | S | 37.3 | Very low | 46 | Very low | 113 Ų | 113 | 117.5 Ų | 117.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -56.7 | 165.3 | -163.7 | -69.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 491 | P | 46.5 | Very low | 45.2 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | -103 | 164.8 | -177.2 | 40.7 | -35.9 | 0 | 0 | 0 | 115.4 | | |
| 492 | A | 38.9 | Very low | 44.6 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -159.4 | 123.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 493 | T | 36.6 | Very low | 45 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | 46.8 | 124 | 132.4 | -35.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 494 | V | 41.8 | Very low | 46.5 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | trans | 53.8 | 152.3 | 164.4 | -60 | 0 | 0 | 0 | 0 | 117.7 | | |
| 495 | D | 39 | Very low | 48.4 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | cis | -148.2 | -171.8 | 16.7 | -154.8 | -16.1 | 0 | 0 | 0 | 111 | A497 | D495-A497 PolarHBondContact O-N 3.05Š|
| 496 | A | 36.7 | Very low | 50.4 | Low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -75.5 | 117.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 497 | A | 37.9 | Very low | 52.6 | Low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | trans | -154 | 133.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D495 | D495-A497 PolarHBondContact O-N 3.05Š|
| 498 | V | 46.5 | Very low | 54.6 | Low | 134 Ų | 134 | 126.6 Ų | 126.6 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -9.7 | 112.6 | 161.6 | -175.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 499 | P | 54.1 | Low | 56.6 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | -87.1 | 124.5 | 142.5 | 33.2 | -26.7 | 0 | 0 | 0 | 108.7 | | |
| 500 | G | 49.1 | Very low | 58.4 | Low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | | | cis | 148.9 | 98.1 | 7.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | G502 | G500-G502 PolarHBondContact O-N 2.84Š|
| 501 | A | 45.6 | Very low | 60.8 | Low | 116 Ų | 116 | 127 Ų | 127 | 96% | 0.959 | 75% | 0.747 | S | S | * | * | | | trans | -65.7 | 128 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 502 | G | 53 | Low | 62.4 | Low | 55 Ų | 55 | 125.4 Ų | 125.4 | 57% | 0.567 | 73% | 0.732 | S | S | * | * | | | trans | 136.9 | 133.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G500 | G500-G502 PolarHBondContact O-N 2.84Š|
| 503 | K | 69.1 | Low | 64.3 | Low | 200 Ų | 200 | 128 Ų | 128 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 73.1 | 125.3 | -173.2 | -50.4 | 128.9 | -172 | 170.9 | 0 | 113.1 | R505 | K503-R505 PolarHBondContact O-N 2.72Š|
| 504 | K | 78.7 | Confident | 66.3 | Low | 224 Ų | 224 | 127.5 Ų | 127.5 | 97% | 0.974 | 73% | 0.728 | S | S | * | * | | | trans | -71.3 | 100.6 | -179.8 | -63.5 | -165.1 | 179.9 | -170.9 | 0 | 110.3 | | |
| 505 | R | 87.9 | Confident | 67.7 | Low | 199 Ų | 199 | 128.9 Ų | 128.9 | 75% | 0.751 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 147.2 | 167 | -56.8 | -178.2 | 81.9 | -109.7 | 7.8 | 108.6 | K503 | K503-R505 PolarHBondContact O-N 2.72Š|
| 506 | Y | 87.6 | Confident | 69.2 | Low | 214 Ų | 214 | 125.7 Ų | 125.7 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 146.9 | 165.7 | -64.4 | -79 | 0 | 0 | 0 | 109.4 | | |
| 507 | P | 88.2 | Confident | 71 | Confident | 74 Ų | 74 | 123.3 Ų | 123.3 | 48% | 0.481 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 144 | 178.3 | 25.4 | -33.5 | 0 | 0 | 0 | 111.5 | E511 I512 | P507-E511 WeakPolarHBondContact CA-OE2 3.43Å; P507-E511 HydrophobicContact CB-CB 4.09Å; P507-E511 WeakPolarHBondContact CB-OE2 3.33Å; P507-I512 HydrophobicContact CB-CG1 4.07Å; P507-I512 HydrophobicContact CG-CD1 4.19Å; P507-I512 HydrophobicContact CG-CG1 3.96Å |
| 508 | T | 85.6 | Confident | 72.4 | Confident | 61 Ų | 61 | 125.2 Ų | 125.2 | 37% | 0.374 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 153.9 | 176.2 | -48.1 | 0 | 0 | 0 | 0 | 110 | E510 E511 I512 | T508-E510 PolarHBondContact O-N 2.96Å; T508-E511 WeakPolarHBondContact CB-OE1 3.45Å; T508-E511 PolarHBondContact N-OE1 3.18Å; T508-E511 PolarHBondContact N-OE2 3.29Å; T508-E511 WeakPolarHBondContact O-CA 3.38Å; T508-E511 WeakPolarHBondContact O-CB 3.47Å; T508-E511 PolarHBondContact O-N 3.2Å; T508-E511 PolarHBondContact OG1-OE1 3.26Å; T508-I512 PolarHBondContact O-N 2.96Å |
| 509 | A | 84.4 | Confident | 73.5 | Confident | 87 Ų | 87 | 127.5 Ų | 127.5 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -27.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 510 | E | 82.8 | Confident | 74.3 | Confident | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -20.9 | 176.7 | -67.8 | 160.9 | -153.1 | 0 | 0 | 113.2 | T508 | T508-E510 PolarHBondContact O-N 2.96Š|
| 511 | E | 86.4 | Confident | 75.3 | Confident | 117 Ų | 117 | 133.6 Ų | 133.6 | 55% | 0.547 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -17.9 | 174.8 | -60.3 | 159.3 | -148 | 0 | 0 | 111.7 | P507 T508 L513 | P507-E511 WeakPolarHBondContact CA-OE2 3.43Å; P507-E511 HydrophobicContact CB-CB 4.09Å; P507-E511 WeakPolarHBondContact CB-OE2 3.33Å; T508-E511 WeakPolarHBondContact CB-OE1 3.45Å; T508-E511 PolarHBondContact N-OE1 3.18Å; T508-E511 PolarHBondContact N-OE2 3.29Å; T508-E511 WeakPolarHBondContact O-CA 3.38Å; T508-E511 WeakPolarHBondContact O-CB 3.47Å; T508-E511 PolarHBondContact O-N 3.2Å; T508-E511 PolarHBondContact OG1-OE1 3.26Å; E511-L513 PolarHBondContact O-N 2.92Å |
| 512 | I | 79.9 | Confident | 76.5 | Confident | 93 Ų | 93 | 132.4 Ų | 132.4 | 48% | 0.477 | 69% | 0.694 | S | S | . | * | | | trans | -87.3 | 85.8 | -176.3 | -58.1 | 170.4 | 0 | 0 | 0 | 110.3 | P507 T508 V514 | P507-I512 HydrophobicContact CB-CG1 4.07Å; P507-I512 HydrophobicContact CG-CD1 4.19Å; P507-I512 HydrophobicContact CG-CG1 3.96Å; T508-I512 PolarHBondContact O-N 2.96Å; I512-V514 HydrophobicContact CG2-CG2 4.35Å; I512-V514 PolarHBondContact O-N 3.33Å |
| 513 | L | 79.3 | Confident | 77.3 | Confident | 144 Ų | 144 | 138.3 Ų | 138.3 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | | | trans | -72.5 | 106.4 | 171.4 | -65.3 | 176.9 | 0 | 0 | 0 | 111.1 | E511 L515 | E511-L513 PolarHBondContact O-N 2.92Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 3.26Å |
| 514 | V | 78.9 | Confident | 77.4 | Confident | 113 Ų | 113 | 129.7 Ų | 129.7 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | | | trans | -78 | 77.3 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | I512 G516 G517 | I512-V514 HydrophobicContact CG2-CG2 4.35Å; I512-V514 PolarHBondContact O-N 3.33Å; V514-G516 PolarHBondContact O-N 3.31Å; V514-G517 PolarHBondContact O-N 2.79Å |
| 515 | L | 72.1 | Confident | 77 | Confident | 163 Ų | 163 | 124.8 Ų | 124.8 | 85% | 0.853 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 131.5 | 170.5 | -59.9 | 177.5 | 0 | 0 | 0 | 110.2 | L513 | L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 3.26Å |
| 516 | G | 70.5 | Confident | 76.1 | Confident | 88 Ų | 88 | 121.9 Ų | 121.9 | 91% | 0.907 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.6 | 0.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V514 | V514-G516 PolarHBondContact O-N 3.31Š|
| 517 | G | 73.1 | Confident | 75.2 | Confident | 42 Ų | 42 | 113 Ų | 113 | 43% | 0.433 | 63% | 0.627 | S | S | . | * | | | trans | -72.8 | 146 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V514 L519 | V514-G517 PolarHBondContact O-N 2.79Å; G517-L519 PolarHBondContact O-N 3.48Å; G517-L519 VanDerWaalsContact O-N 3.14Å |
| 518 | Y | 68.1 | Low | 74.3 | Confident | 134 Ų | 134 | 119.4 Ų | 119.4 | 53% | 0.525 | 65% | 0.647 | S | S | . | * | | | trans | -69.1 | 109.1 | 166.2 | -75.8 | -83.5 | 0 | 0 | 0 | 109.7 | R520 R523 | Y518-R520 CarbonylContact O-C 3.57Å; Y518-R520 PolarHBondContact O-N 2.99Å; Y518-R523 HydrophobicContact CD1-CB 3.47Å; Y518-R523 VanDerWaalsContact CD1-CB 3.47Å; Y518-R523 WeakPolarHBondContact CD2-O 3.5Å; Y518-R523 HydrophobicContact CE1-CB 4.07Å; Y518-R523 HydrophobicContact CG-CB 3.93Å |
| 519 | L | 69.2 | Low | 73.1 | Confident | 182 Ų | 182 | 119 Ų | 119 | 95% | 0.953 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -57.7 | -7.5 | -177.9 | -146.9 | 78.6 | 0 | 0 | 0 | 115.3 | G517 | G517-L519 PolarHBondContact O-N 3.48Å; G517-L519 VanDerWaalsContact O-N 3.14Å |
| 520 | R | 71.7 | Confident | 71.9 | Confident | 189 Ų | 189 | 116.4 Ų | 116.4 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -125.8 | 122.9 | 170.5 | -67.5 | -178.4 | 177.3 | 172 | -0.6 | 108.7 | Y518 S522 R523 | Y518-R520 CarbonylContact O-C 3.57Å; Y518-R520 PolarHBondContact O-N 2.99Å; R520-S522 PolarHBondContact O-N 3.09Å; R520-S522 VanDerWaalsContact O-N 3.08Å; R520-R523 PolarHBondContact O-N 3.25Å |
| 521 | L | 69 | Low | 71 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 69% | 0.686 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -50.5 | -37.8 | -178.9 | -177.5 | 65.4 | 0 | 0 | 0 | 112.6 | R523 S524 | L521-R523 PolarHBondContact O-N 2.96Å; L521-S524 VanDerWaalsContact O-CB 3.27Å; L521-S524 WeakPolarHBondContact O-CB 3.43Å; L521-S524 PolarHBondContact O-N 3.03Å; L521-S524 PolarHBondContact O-OG 3.35Å |
| 522 | S | 70.5 | Confident | 69.9 | Low | 91 Ų | 91 | 114.3 Ų | 114.3 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -65.1 | -14 | 178.4 | 48.7 | 0 | 0 | 0 | 0 | 115.7 | R520 | R520-S522 PolarHBondContact O-N 3.09Å; R520-S522 VanDerWaalsContact O-N 3.08Å |
| 523 | R | 69.9 | Low | 68.9 | Low | 179 Ų | 179 | 119.2 Ų | 119.2 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -98.8 | -9.4 | 168.7 | -65.7 | -170.8 | 69.3 | -173.4 | 1.7 | 113.5 | Y518 R520 L521 | Y518-R523 HydrophobicContact CD1-CB 3.47Å; Y518-R523 VanDerWaalsContact CD1-CB 3.47Å; Y518-R523 WeakPolarHBondContact CD2-O 3.5Å; Y518-R523 HydrophobicContact CE1-CB 4.07Å; Y518-R523 HydrophobicContact CG-CB 3.93Å; R520-R523 PolarHBondContact O-N 3.25Å; L521-R523 PolarHBondContact O-N 2.96Å |
| 524 | S | 71.9 | Confident | 68 | Low | 20 Ų | 20 | 118.6 Ų | 118.6 | 14% | 0.14 | 64% | 0.635 | C | S | . | * | S | Bend | trans | -70 | 154.7 | -179 | 78.1 | 0 | 0 | 0 | 0 | 112.7 | L521 L526 A527 | L521-S524 VanDerWaalsContact O-CB 3.27Å; L521-S524 WeakPolarHBondContact O-CB 3.43Å; L521-S524 PolarHBondContact O-N 3.03Å; L521-S524 PolarHBondContact O-OG 3.35Å; S524-L526 PolarHBondContact O-N 3.38Å; S524-L526 PolarHBondContact OG-N 3.16Å; S524-A527 WeakPolarHBondContact O-CB 3.32Å; S524-A527 PolarHBondContact O-N 3.01Å; S524-A527 PolarHBondContact OG-N 2.83Å |
| 525 | C | 69.6 | Low | 67.1 | Low | 120 Ų | 120 | 120.5 Ų | 120.5 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -13.9 | 168.8 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | A527 | C525-A527 VanDerWaalsContact C-N 3.35Š|
| 526 | L | 68.5 | Low | 66.8 | Low | 139 Ų | 139 | 120.8 Ų | 120.8 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -5.4 | 178.3 | -57.7 | 179.6 | 0 | 0 | 0 | 113.2 | S524 K528 | S524-L526 PolarHBondContact O-N 3.38Å; S524-L526 PolarHBondContact OG-N 3.16Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.45Å |
| 527 | A | 70.3 | Confident | 66.8 | Low | 28 Ų | 28 | 124.9 Ų | 124.9 | 23% | 0.231 | 63% | 0.626 | C | S | . | * | | | trans | -70.6 | 75.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S524 C525 G529 | S524-A527 WeakPolarHBondContact O-CB 3.32Å; S524-A527 PolarHBondContact O-N 3.01Å; S524-A527 PolarHBondContact OG-N 2.83Å; C525-A527 VanDerWaalsContact C-N 3.35Å; A527-G529 PolarHBondContact O-N 2.94Å |
| 528 | K | 67.5 | Low | 66.9 | Low | 208 Ų | 208 | 130 Ų | 130 | 90% | 0.904 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 115.3 | 163.6 | -65.5 | 179.6 | -179.1 | 176.3 | 0 | 108.6 | L526 | L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.45Å |
| 529 | G | 62.4 | Low | 67.5 | Low | 52 Ų | 52 | 132.2 Ų | 132.2 | 54% | 0.536 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 109.5 | 10.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | A527 P531 | A527-G529 PolarHBondContact O-N 2.94Å; G529-P531 WeakPolarHBondContact O-CD 3.27Å |
| 530 | S | 58.6 | Low | 68 | Low | 33 Ų | 33 | 128.3 Ų | 128.3 | 23% | 0.231 | 63% | 0.634 | C | S | . | * | | | trans | -61 | 121 | 169.8 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | E532 R533 H534 | S530-E532 PolarHBondContact O-N 3.4Å; S530-R533 PolarHBondContact O-N 3.49Å; S530-H534 PolarHBondContact O-CD2 2.96Å; S530-H534 PolarHBondContact O-N 2.83Å |
| 531 | P | 62.6 | Low | 68.5 | Low | 89 Ų | 89 | 124.3 Ų | 124.3 | 58% | 0.578 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -61 | -34.4 | -175.9 | 23.5 | -33.1 | 0 | 0 | 0 | 112.1 | G529 R533 H534 H535 | G529-P531 WeakPolarHBondContact O-CD 3.27Å; P531-R533 PolarHBondContact O-N 3.25Å; P531-H534 PolarHBondContact O-N 3.13Å; P531-H535 PolarHBondContact O-CD2 2.89Å; P531-H535 PolarHBondContact O-NE2 2.82Å |
| 532 | E | 63.6 | Low | 69.2 | Low | 162 Ų | 162 | 124.6 Ų | 124.6 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -45.8 | -35.3 | 171.4 | -153.9 | 75.5 | -127.3 | 0 | 0 | 113.5 | S530 | S530-E532 PolarHBondContact O-N 3.4Š|
| 533 | R | 60.3 | Low | 69.8 | Low | 197 Ų | 197 | 123.6 Ų | 123.6 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -96.2 | -14 | -178.8 | -60.4 | -171.8 | -172.1 | -110.2 | 4.1 | 113.7 | S530 P531 H535 | S530-R533 PolarHBondContact O-N 3.49Å; P531-R533 PolarHBondContact O-N 3.25Å; R533-H535 PolarHBondContact O-N 2.89Å |
| 534 | H | 59.8 | Low | 70.3 | Confident | 130 Ų | 130 | 122.6 Ų | 122.6 | 60% | 0.602 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -5.1 | -177.6 | -96.2 | -90.7 | 0 | 0 | 0 | 114.4 | S530 P531 | S530-H534 PolarHBondContact O-CD2 2.96Å; S530-H534 PolarHBondContact O-N 2.83Å; P531-H534 PolarHBondContact O-N 3.13Å |
| 535 | H | 60 | Low | 70.7 | Confident | 153 Ų | 153 | 126.8 Ų | 126.8 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -1 | -174.7 | -51.9 | -38.4 | 0 | 0 | 0 | 114.3 | P531 R533 | P531-H535 PolarHBondContact O-CD2 2.89Å; P531-H535 PolarHBondContact O-NE2 2.82Å; R533-H535 PolarHBondContact O-N 2.89Å |
| 536 | K | 66.6 | Low | 71.1 | Confident | 170 Ų | 170 | 123.7 Ų | 123.7 | 74% | 0.739 | 64% | 0.635 | S | S | * | * | | | trans | -123.6 | 78.8 | 177.8 | -67.8 | -176.9 | -179.9 | 177.9 | 0 | 110.6 | L538 | K536-L538 VanDerWaalsContact C-N 3.28Å; K536-L538 PolarHBondContact O-N 2.88Å |
| 537 | Q | 69.9 | Low | 71.5 | Confident | 173 Ų | 173 | 122.6 Ų | 122.6 | 81% | 0.808 | 63% | 0.629 | S | S | * | * | | | trans | -68.1 | 87.1 | 168.3 | -72.4 | -167.6 | 6 | 0 | 0 | 110.1 | K539 | Q537-K539 PolarHBondContact O-N 2.93Š|
| 538 | L | 74 | Confident | 71.7 | Confident | 150 Ų | 150 | 128 Ų | 128 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | | | trans | -65.1 | 95.6 | 167.7 | -70.1 | 169.3 | 0 | 0 | 0 | 108.8 | K536 I540 | K536-L538 VanDerWaalsContact C-N 3.28Å; K536-L538 PolarHBondContact O-N 2.88Å; L538-I540 VanDerWaalsContact C-N 3.27Å; L538-I540 HydrophobicContact CB-CG1 4.48Å; L538-I540 PolarHBondContact O-N 2.82Å |
| 539 | K | 80.7 | Confident | 72.2 | Confident | 181 Ų | 181 | 123.4 Ų | 123.4 | 79% | 0.787 | 64% | 0.639 | S | S | * | * | | | trans | -71.1 | 84.4 | 171.6 | -77.2 | -179.4 | 174.7 | 176.1 | 0 | 109.2 | Q537 S541 | Q537-K539 PolarHBondContact O-N 2.93Å; K539-S541 VanDerWaalsContact C-N 3.32Å; K539-S541 PolarHBondContact O-N 3.08Å |
| 540 | I | 80.5 | Confident | 73.1 | Confident | 100 Ų | 100 | 126.7 Ų | 126.7 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | | | trans | -73.5 | 90 | 172.2 | -52.8 | 175.2 | 0 | 0 | 0 | 108.4 | R466 L538 F542 | R466-I540 PolarHBondContact NH2-O 2.87Å; L538-I540 VanDerWaalsContact C-N 3.27Å; L538-I540 HydrophobicContact CB-CG1 4.48Å; L538-I540 PolarHBondContact O-N 2.82Å; I540-F542 HydrophobicContact CG2-CD2 4.35Å; I540-F542 HydrophobicContact CG2-CE1 4.28Å; I540-F542 HydrophobicContact CG2-CE2 3.64Å; I540-F542 HydrophobicContact CG2-CZ 3.59Å |
| 541 | S | 82.6 | Confident | 74.1 | Confident | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 133.1 | 162.6 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | K539 | K539-S541 VanDerWaalsContact C-N 3.32Å; K539-S541 PolarHBondContact O-N 3.08Å |
| 542 | F | 84.3 | Confident | 75.2 | Confident | 137 Ų | 137 | 136.3 Ų | 136.3 | 60% | 0.601 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 149.6 | 163.4 | -57 | -84.8 | 0 | 0 | 0 | 107.4 | I540 L547 | I540-F542 HydrophobicContact CG2-CD2 4.35Å; I540-F542 HydrophobicContact CG2-CE1 4.28Å; I540-F542 HydrophobicContact CG2-CE2 3.64Å; I540-F542 HydrophobicContact CG2-CZ 3.59Å; F542-L547 HydrophobicContact CB-CD1 4.05Å; F542-L547 HydrophobicContact CB-CD2 3.97Å; F542-L547 HydrophobicContact CB-CG 4.04Å; F542-L547 HydrophobicContact CG-CD2 4.22Å |
| 543 | S | 81.7 | Confident | 76.2 | Confident | 71 Ų | 71 | 137.2 Ų | 137.2 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 129.6 | 165.8 | 34.9 | 0 | 0 | 0 | 0 | 108.9 | T545 A546 L547 | S543-T545 PolarHBondContact O-N 2.72Å; S543-A546 PolarHBondContact O-N 2.7Å; S543-A546 VanDerWaalsContact OG-CB 3.27Å; S543-A546 WeakPolarHBondContact OG-CB 3.25Å; S543-L547 PolarHBondContact O-N 2.71Å |
| 544 | E | 80.9 | Confident | 77.2 | Confident | 157 Ų | 157 | 131.5 Ų | 131.5 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -62.1 | -36 | -178.5 | -65.8 | 177.7 | 146.3 | 0 | 0 | 110.8 | A546 L547 E548 | E544-A546 PolarHBondContact O-N 3.04Å; E544-L547 WeakPolarHBondContact O-CA 3.32Å; E544-L547 WeakPolarHBondContact O-CB 3.37Å; E544-L547 PolarHBondContact O-N 2.9Å; E544-E548 WeakPolarHBondContact O-CG 3.36Å; E544-E548 PolarHBondContact O-N 3.11Å; E544-E548 VanDerWaalsContact O-N 3.15Å |
| 545 | T | 81.3 | Confident | 78.4 | Confident | 109 Ų | 109 | 128.5 Ų | 128.5 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -59.7 | -23.3 | 171.2 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | S543 | S543-T545 PolarHBondContact O-N 2.72Š|
| 546 | A | 76.3 | Confident | 79.5 | Confident | 55 Ų | 55 | 129.9 Ų | 129.9 | 46% | 0.455 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -94.1 | -5.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | S543 E544 | S543-A546 PolarHBondContact O-N 2.7Å; S543-A546 VanDerWaalsContact OG-CB 3.27Å; S543-A546 WeakPolarHBondContact OG-CB 3.25Å; E544-A546 PolarHBondContact O-N 3.04Å |
| 547 | L | 76.9 | Confident | 80 | Confident | 116 Ų | 116 | 125.5 Ų | 125.5 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -18.6 | 169.7 | -61.4 | 178.7 | 0 | 0 | 0 | 112.1 | F542 S543 E544 T549 | F542-L547 HydrophobicContact CB-CD1 4.05Å; F542-L547 HydrophobicContact CB-CD2 3.97Å; F542-L547 HydrophobicContact CB-CG 4.04Å; F542-L547 HydrophobicContact CG-CD2 4.22Å; S543-L547 PolarHBondContact O-N 2.71Å; E544-L547 WeakPolarHBondContact O-CA 3.32Å; E544-L547 WeakPolarHBondContact O-CB 3.37Å; E544-L547 PolarHBondContact O-N 2.9Å; L547-T549 VanDerWaalsContact C-N 3.27Å; L547-T549 PolarHBondContact O-N 2.68Å |
| 548 | E | 75.1 | Confident | 80.4 | Confident | 142 Ų | 142 | 119.9 Ų | 119.9 | 66% | 0.664 | 63% | 0.634 | S | S | * | * | | | trans | -80.5 | -2 | 179.3 | -72.1 | 174.2 | 154.7 | 0 | 0 | 113.8 | E544 T550 | E544-E548 WeakPolarHBondContact O-CG 3.36Å; E544-E548 PolarHBondContact O-N 3.11Å; E544-E548 VanDerWaalsContact O-N 3.15Å; E548-T550 PolarHBondContact O-N 3.14Å |
| 549 | T | 78.5 | Confident | 80.7 | Confident | 110 Ų | 110 | 116 Ų | 116 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | | | trans | -66 | 91.2 | 177.4 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | L547 Y551 | L547-T549 VanDerWaalsContact C-N 3.27Å; L547-T549 PolarHBondContact O-N 2.68Å; T549-Y551 PolarHBondContact O-N 3.42Å |
| 550 | T | 80.1 | Confident | 80.4 | Confident | 121 Ų | 121 | 113.2 Ų | 113.2 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | | | trans | -77.8 | 106.2 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | E548 Q552 | E548-T550 PolarHBondContact O-N 3.14Å; T550-Q552 PolarHBondContact O-N 3.12Å |
| 551 | Y | 81.4 | Confident | 80.2 | Confident | 159 Ų | 159 | 116.3 Ų | 116.3 | 62% | 0.624 | 62% | 0.621 | S | S | * | * | | | trans | -71.2 | 100 | 171.4 | -173.7 | -92.6 | 0 | 0 | 0 | 109.6 | T549 Y553 | T549-Y551 PolarHBondContact O-N 3.42Å; Y551-Y553 HydrophobicContact CD1-CD1 4.02Å; Y551-Y553 AromaticContact CD1-CD2 3.71Å; Y551-Y553 HydrophobicContact CD1-CD2 3.71Å; Y551-Y553 AromaticContact CD1-CE1 3.96Å; Y551-Y553 HydrophobicContact CD1-CE1 3.96Å; Y551-Y553 AromaticContact CD1-CE2 3.66Å; Y551-Y553 HydrophobicContact CD1-CE2 3.66Å; Y551-Y553 AromaticContact CD1-CG 3.88Å; Y551-Y553 HydrophobicContact CD1-CG 3.88Å; Y551-Y553 AromaticContact CD1-CZ 3.76Å; Y551-Y553 AromaticContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD2 4.09Å; Y551-Y553 AromaticContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE2 4.19Å; Y551-Y553 AromaticContact CE1-CG 3.76Å; Y551-Y553 HydrophobicContact CE1-CG 3.76Å; Y551-Y553 AromaticContact CE1-CZ 3.96Å; Y551-Y553 PolarHBondContact O-N 2.82Å |
| 552 | Q | 83.9 | Confident | 79.9 | Confident | 166 Ų | 166 | 119.2 Ų | 119.2 | 78% | 0.776 | 62% | 0.624 | S | S | * | * | | | trans | -74 | 100.6 | 171.2 | -168.3 | 80.8 | 35.1 | 0 | 0 | 108 | T550 | T550-Q552 PolarHBondContact O-N 3.12Š|
| 553 | Y | 84.8 | Confident | 79.1 | Confident | 181 Ų | 181 | 119.1 Ų | 119.1 | 71% | 0.71 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.9 | 169.6 | -71.6 | -92.6 | 0 | 0 | 0 | 109.6 | Y551 | Y551-Y553 HydrophobicContact CD1-CD1 4.02Å; Y551-Y553 AromaticContact CD1-CD2 3.71Å; Y551-Y553 HydrophobicContact CD1-CD2 3.71Å; Y551-Y553 AromaticContact CD1-CE1 3.96Å; Y551-Y553 HydrophobicContact CD1-CE1 3.96Å; Y551-Y553 AromaticContact CD1-CE2 3.66Å; Y551-Y553 HydrophobicContact CD1-CE2 3.66Å; Y551-Y553 AromaticContact CD1-CG 3.88Å; Y551-Y553 HydrophobicContact CD1-CG 3.88Å; Y551-Y553 AromaticContact CD1-CZ 3.76Å; Y551-Y553 AromaticContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD1 3.55Å; Y551-Y553 HydrophobicContact CE1-CD2 4.09Å; Y551-Y553 AromaticContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE1 3.65Å; Y551-Y553 HydrophobicContact CE1-CE2 4.19Å; Y551-Y553 AromaticContact CE1-CG 3.76Å; Y551-Y553 HydrophobicContact CE1-CG 3.76Å; Y551-Y553 AromaticContact CE1-CZ 3.96Å; Y551-Y553 PolarHBondContact O-N 2.82Å |
| 554 | P | 82.1 | Confident | 78.5 | Confident | 77 Ų | 77 | 117.5 Ų | 117.5 | 50% | 0.5 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 149.2 | 165.4 | -24.2 | 34.3 | 0 | 0 | 0 | 110.6 | V559 | P554-V559 HydrophobicContact CB-CG2 4.26Š|
| 555 | S | 84.1 | Confident | 77.6 | Confident | 67 Ų | 67 | 116 Ų | 116 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 146.5 | 175.1 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | S557 S558 V559 | S555-S557 PolarHBondContact O-N 2.92Å; S555-S557 VanDerWaalsContact O-N 3.08Å; S555-S557 PolarHBondContact OG-OG 2.88Å; S555-S558 WeakPolarHBondContact O-CA 3.47Å; S555-S558 WeakPolarHBondContact O-CB 3.34Å; S555-S558 PolarHBondContact O-N 3.43Å; S555-S558 PolarHBondContact OG-N 2.87Å; S555-V559 PolarHBondContact O-N 3.48Å |
| 556 | E | 84.5 | Confident | 76.7 | Confident | 182 Ų | 182 | 119.2 Ų | 119.2 | 85% | 0.85 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -56.4 | -28.7 | 177.4 | -63.6 | 173.4 | 119.2 | 0 | 0 | 111.6 | L560 | E556-L560 WeakPolarHBondContact O-CB 3.38Å; E556-L560 PolarHBondContact O-N 2.84Å |
| 557 | S | 75.4 | Confident | 75.6 | Confident | 78 Ų | 78 | 121.7 Ų | 121.7 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.7 | -37.7 | 171.5 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | S555 L560 E561 | S555-S557 PolarHBondContact O-N 2.92Å; S555-S557 VanDerWaalsContact O-N 3.08Å; S555-S557 PolarHBondContact OG-OG 2.88Å; S557-L560 PolarHBondContact O-N 3.38Å; S557-E561 WeakPolarHBondContact O-CB 3.48Å; S557-E561 PolarHBondContact O-N 3.38Å |
| 558 | S | 79.4 | Confident | 74.3 | Confident | 55 Ų | 55 | 125.3 Ų | 125.3 | 39% | 0.385 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.6 | -35.4 | 179.1 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | S555 E561 E562 | S555-S558 WeakPolarHBondContact O-CA 3.47Å; S555-S558 WeakPolarHBondContact O-CB 3.34Å; S555-S558 PolarHBondContact O-N 3.43Å; S555-S558 PolarHBondContact OG-N 2.87Å; S558-E561 PolarHBondContact O-N 2.69Å; S558-E562 WeakPolarHBondContact O-CB 3.34Å; S558-E562 PolarHBondContact O-N 2.85Å |
| 559 | V | 79.7 | Confident | 73.2 | Confident | 67 Ų | 67 | 124.9 Ų | 124.9 | 41% | 0.406 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.8 | -38 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | P554 S555 E562 L563 | P554-V559 HydrophobicContact CB-CG2 4.26Å; S555-V559 PolarHBondContact O-N 3.48Å; V559-E562 PolarHBondContact O-N 3Å; V559-L563 HydrophobicContact CG1-CD1 4.28Å; V559-L563 VanDerWaalsContact O-CG 3.25Å; V559-L563 WeakPolarHBondContact O-CG 3.27Å; V559-L563 PolarHBondContact O-N 3.43Å |
| 560 | L | 74.9 | Confident | 71.6 | Confident | 124 Ų | 124 | 125.2 Ų | 125.2 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.1 | -34 | 176 | -166.6 | 68.2 | 0 | 0 | 0 | 112.6 | E556 S557 | E556-L560 WeakPolarHBondContact O-CB 3.38Å; E556-L560 PolarHBondContact O-N 2.84Å; S557-L560 PolarHBondContact O-N 3.38Å |
| 561 | E | 77.1 | Confident | 69.5 | Low | 164 Ų | 164 | 125.2 Ų | 125.2 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.6 | -38.9 | 174.6 | -170.6 | 169 | -173.4 | 0 | 0 | 111.8 | S557 S558 L563 G564 | S557-E561 WeakPolarHBondContact O-CB 3.48Å; S557-E561 PolarHBondContact O-N 3.38Å; S558-E561 PolarHBondContact O-N 2.69Å; E561-L563 VanDerWaalsContact C-N 3.31Å; E561-L563 PolarHBondContact O-N 2.89Å; E561-G564 PolarHBondContact O-N 2.85Å; E561-G564 VanDerWaalsContact O-N 3.15Å |
| 562 | E | 75.4 | Confident | 67.5 | Low | 166 Ų | 166 | 121.6 Ų | 121.6 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.8 | -31.5 | 172.8 | -173.2 | 179 | 173 | 0 | 0 | 112.9 | S558 V559 G564 | S558-E562 WeakPolarHBondContact O-CB 3.34Å; S558-E562 PolarHBondContact O-N 2.85Å; V559-E562 PolarHBondContact O-N 3Å; E562-G564 PolarHBondContact O-N 2.88Å |
| 563 | L | 67.6 | Low | 65.6 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -10.9 | 174.4 | -74 | 168.3 | 0 | 0 | 0 | 113.9 | V559 E561 | V559-L563 HydrophobicContact CG1-CD1 4.28Å; V559-L563 VanDerWaalsContact O-CG 3.25Å; V559-L563 WeakPolarHBondContact O-CG 3.27Å; V559-L563 PolarHBondContact O-N 3.43Å; E561-L563 VanDerWaalsContact C-N 3.31Å; E561-L563 PolarHBondContact O-N 2.89Å |
| 564 | G | 68.8 | Low | 63.2 | Low | 37 Ų | 37 | 118.3 Ų | 118.3 | 38% | 0.381 | 69% | 0.685 | S | S | . | * | | | trans | 71.4 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E561 E562 E566 | E561-G564 PolarHBondContact O-N 2.85Å; E561-G564 VanDerWaalsContact O-N 3.15Å; E562-G564 PolarHBondContact O-N 2.88Å; G564-E566 PolarHBondContact O-N 3.05Å |
| 565 | P | 62.5 | Low | 61.5 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | | | trans | -65.7 | 128.7 | 171.8 | 28.1 | -32.9 | 0 | 0 | 0 | 110.1 | | |
| 566 | E | 61.3 | Low | 59.6 | Low | 175 Ų | 175 | 122.8 Ų | 122.8 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | -52.3 | 130.2 | 168 | -174.9 | -177.3 | 159.2 | 0 | 0 | 109 | G564 E568 | G564-E566 PolarHBondContact O-N 3.05Å; E566-E568 PolarHBondContact O-N 3.15Å |
| 567 | P | 54.7 | Low | 57.4 | Low | 108 Ų | 108 | 118.9 Ų | 118.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | trans | -66.9 | 107.5 | -176.6 | 26.1 | -33.6 | 0 | 0 | 0 | 110.1 | V569 | P567-V569 PolarHBondContact O-N 2.92Å; P567-V569 VanDerWaalsContact O-N 3.09Å |
| 568 | E | 49.3 | Very low | 55.7 | Low | 191 Ų | 191 | 119.8 Ų | 119.8 | 89% | 0.893 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 119.8 | 171.3 | -87.7 | -162.4 | 126.5 | 0 | 0 | 109.3 | E566 P570 | E566-E568 PolarHBondContact O-N 3.15Å; E568-P570 WeakPolarHBondContact O-CD 3.24Å; E568-P570 VanDerWaalsContact O-N 3.13Å |
| 569 | V | 51.5 | Low | 54.1 | Low | 133 Ų | 133 | 125.6 Ų | 125.6 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 117.3 | -176.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | P567 S571 | P567-V569 PolarHBondContact O-N 2.92Å; P567-V569 VanDerWaalsContact O-N 3.09Å; V569-S571 PolarHBondContact O-N 3.47Å; V569-S571 VanDerWaalsContact O-N 3.11Å |
| 570 | P | 45.7 | Very low | 52.3 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 118.4 | -173 | 23.9 | -33 | 0 | 0 | 0 | 110.2 | E568 A572 | E568-P570 WeakPolarHBondContact O-CD 3.24Å; E568-P570 VanDerWaalsContact O-N 3.13Å; P570-A572 PolarHBondContact O-N 3.2Å |
| 571 | S | 36.1 | Very low | 50.6 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 123.2 | -178.4 | -172.2 | 0 | 0 | 0 | 0 | 111 | V569 | V569-S571 PolarHBondContact O-N 3.47Å; V569-S571 VanDerWaalsContact O-N 3.11Å |
| 572 | A | 39.6 | Very low | 49.1 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P570 | P570-A572 PolarHBondContact O-N 3.2Š|
| 573 | P | 42.2 | Very low | 47.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.8 | 163.9 | 31.3 | -32.5 | 0 | 0 | 0 | 110 | | |
| 574 | N | 34.5 | Very low | 46.9 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 135.1 | -179.7 | -64.8 | -76.7 | 0 | 0 | 0 | 111.6 | | |
| 575 | P | 46.8 | Very low | 46.2 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 141.3 | 175.9 | 31.3 | -34.2 | 0 | 0 | 0 | 111.7 | | |
| 576 | P | 45.1 | Very low | 45.7 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 154.2 | 159.9 | 32.3 | -33.2 | 0 | 0 | 0 | 110.3 | | |
| 577 | A | 37.4 | Very low | 45.4 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 171.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 578 | A | 39.6 | Very low | 45.3 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | 82.1 | 130.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 579 | Q | 45.7 | Very low | 45.3 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | cis | -139.8 | 164.6 | -1.4 | -82 | -147.2 | -125.9 | 0 | 0 | 111.5 | | |
| 580 | P | 41.7 | Very low | 45 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | | | trans | -87.3 | 141.4 | 166.3 | 35.7 | -32.4 | 0 | 0 | 0 | 112.2 | | |
| 581 | D | 39.6 | Very low | 45.2 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | 179.8 | 173.1 | 139 | -93.2 | -16.5 | 0 | 0 | 0 | 108 | | |
| 582 | D | 46 | Very low | 45.5 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | 61.8 | 68.3 | 172.5 | -56.4 | -32.6 | 0 | 0 | 0 | 116.6 | | |
| 583 | E | 42.3 | Very low | 45.5 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -70.2 | 175.6 | 152.7 | 46.8 | -162.3 | 64.3 | 0 | 0 | 112.4 | | |
| 584 | E | 54.3 | Low | 45.5 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 93 | -29.7 | 167.4 | -51.3 | -171.3 | 106 | 0 | 0 | 121.3 | | |
| 585 | D | 54.8 | Low | 45.7 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -88.1 | -5.5 | -170 | -100.7 | -38.8 | 0 | 0 | 0 | 117.5 | E587 | D585-E587 PolarHBondContact O-N 2.9Š|
| 586 | E | 51.6 | Low | 45.7 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -15.8 | -167.2 | -60.6 | -157.2 | 139.2 | 0 | 0 | 116 | | |
| 587 | E | 53.9 | Low | 45.8 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -23.2 | -169.4 | 59.2 | -180 | 84.8 | 0 | 0 | 116.2 | D585 | D585-E587 PolarHBondContact O-N 2.9Š|
| 588 | E | 52.7 | Low | 45.9 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -30.5 | 177.6 | -69.8 | -146.5 | 123.1 | 0 | 0 | 113.8 | L590 L591 | E588-L590 PolarHBondContact O-N 2.72Å; E588-L590 VanDerWaalsContact O-N 3.15Å; E588-L591 PolarHBondContact O-N 2.84Å |
| 589 | L | 49.4 | Very low | 45.8 | Very low | 148 Ų | 148 | 150 Ų | 150 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -67 | -16.9 | -176.8 | -71.2 | 179.2 | 0 | 0 | 0 | 114.1 | L591 | L589-L591 VanDerWaalsContact C-N 3.34Š|
| 590 | L | 46 | Very low | 46 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -83.7 | -5 | 179.3 | -62.2 | -179.9 | 0 | 0 | 0 | 114.2 | E588 | E588-L590 PolarHBondContact O-N 2.72Å; E588-L590 VanDerWaalsContact O-N 3.15Å |
| 591 | L | 50.8 | Low | 46.6 | Very low | 141 Ų | 141 | 156.7 Ų | 156.7 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -95.5 | -12.4 | -177.2 | -81.6 | 160 | 0 | 0 | 0 | 114.8 | E588 L589 | E588-L591 PolarHBondContact O-N 2.84Å; L589-L591 VanDerWaalsContact C-N 3.34Å |
| 592 | L | 41.2 | Very low | 47.3 | Very low | 149 Ų | 149 | 156.2 Ų | 156.2 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | | | trans | -119.2 | 61.8 | -168.8 | -66.9 | 177.5 | 0 | 0 | 0 | 114.3 | | |
| 593 | Q | 40.7 | Very low | 48.1 | Very low | 186 Ų | 186 | 158 Ų | 158 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | | | trans | -146.8 | 91.1 | 159 | -134.9 | 171.8 | 112.5 | 0 | 0 | 113 | | |
| 594 | P | 42.2 | Very low | 49.1 | Very low | 108 Ų | 108 | 153.9 Ų | 153.9 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -74.3 | 165.2 | 160.3 | 34.2 | -33.9 | 0 | 0 | 0 | 110.6 | | |
| 595 | E | 38.1 | Very low | 49.6 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | 65.2 | 99 | 177.9 | -50 | -162.5 | 101.5 | 0 | 0 | 116.2 | | |
| 596 | L | 47.5 | Very low | 50.2 | Low | 155 Ų | 155 | 153.8 Ų | 153.8 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | | 179 | 152.1 | 107 | -90.6 | 171.7 | 0 | 0 | 0 | 112.1 | | |
| 597 | Q | 46 | Very low | 51.1 | Low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | 40 | 111.4 | 159.4 | -63.1 | 179.5 | -0.2 | 0 | 0 | 119 | | |
| 598 | G | 39.2 | Very low | 51.9 | Low | 85 Ų | 85 | 148.8 Ų | 148.8 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | | | trans | -86.7 | 154.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 599 | G | 38.3 | Very low | 52.9 | Low | 63 Ų | 63 | 150 Ų | 150 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | 166.6 | 117.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R601 | G599-R601 PolarHBondContact O-N 2.83Š|
| 600 | L | 49.4 | Very low | 54 | Low | 181 Ų | 181 | 146.9 Ų | 146.9 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | | | trans | 45 | 53.8 | 157.5 | -53 | -178.7 | 0 | 0 | 0 | 118.5 | T602 | L600-T602 PolarHBondContact O-N 3.27Š|
| 601 | R | 54 | Low | 54.6 | Low | 238 Ų | 238 | 144.5 Ų | 144.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | trans | -79 | 113.4 | 159.8 | -61 | -167.4 | 83.9 | -179.5 | 6 | 109.8 | G599 K603 | G599-R601 PolarHBondContact O-N 2.83Å; R601-K603 PolarHBondContact O-N 2.85Å |
| 602 | T | 55 | Low | 55.4 | Low | 143 Ų | 143 | 149.5 Ų | 149.5 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -59.1 | 121.8 | 175.2 | 38.7 | 0 | 0 | 0 | 0 | 110.2 | L600 A604 | L600-T602 PolarHBondContact O-N 3.27Å; T602-A604 PolarHBondContact O-N 3.44Å; T602-A604 VanDerWaalsContact O-N 3.16Å |
| 603 | K | 61.7 | Low | 56.4 | Low | 200 Ų | 200 | 157.8 Ų | 157.8 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | | | trans | -78.2 | 104.1 | 175.8 | -68.6 | -158.4 | 175.1 | -165.1 | 0 | 109.3 | R601 L605 | R601-K603 PolarHBondContact O-N 2.85Å; K603-L605 PolarHBondContact O-N 2.94Å |
| 604 | A | 63.5 | Low | 57.2 | Low | 89 Ų | 89 | 156.4 Ų | 156.4 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | | | trans | -52 | 125.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T602 I606 | T602-A604 PolarHBondContact O-N 3.44Å; T602-A604 VanDerWaalsContact O-N 3.16Å; A604-I606 PolarHBondContact O-N 3.3Å |
| 605 | L | 65.3 | Low | 57.9 | Low | 161 Ų | 161 | 158.9 Ų | 158.9 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | trans | -75.3 | 95.3 | 175.5 | -72.8 | 171.2 | 0 | 0 | 0 | 108.4 | K603 V607 | K603-L605 PolarHBondContact O-N 2.94Å; L605-V607 PolarHBondContact O-N 3.48Å |
| 606 | I | 67 | Low | 59 | Low | 164 Ų | 164 | 157.9 Ų | 157.9 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | | | trans | -61.9 | 105 | 168.2 | -60.3 | 171.9 | 0 | 0 | 0 | 107.1 | A604 D608 | A604-I606 PolarHBondContact O-N 3.3Å; I606-D608 PolarHBondContact O-N 3Å |
| 607 | V | 72 | Confident | 59.7 | Low | 120 Ų | 120 | 158.1 Ų | 158.1 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | | | trans | -77.8 | 117.5 | 174.1 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | L605 E609 | L605-V607 PolarHBondContact O-N 3.48Å; V607-E609 PolarHBondContact O-N 3.18Å |
| 608 | D | 70 | Confident | 60.6 | Low | 113 Ų | 113 | 156.4 Ų | 156.4 | 60% | 0.604 | 83% | 0.825 | S | S | * | * | | | trans | -73.2 | 105.1 | 177.8 | 177.5 | 22.8 | 0 | 0 | 0 | 111.2 | I606 S610 | I606-D608 PolarHBondContact O-N 3Å; D608-S610 PolarHBondContact O-N 3.35Å; D608-S610 WeakPolarHBondContact OD1-CB 3.37Å; D608-S610 PolarHBondContact OD1-N 3.45Å; D608-S610 PolarHBondContact OD1-OG 3.45Å; D608-S610 WeakPolarHBondContact OD2-CB 3.29Å; D608-S610 PolarHBondContact OD2-OG 2.87Å |
| 609 | E | 73.3 | Confident | 62 | Low | 184 Ų | 184 | 161.2 Ų | 161.2 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 6.2 | 175.4 | -69.5 | -157 | 102 | 0 | 0 | 114.2 | V607 C611 | V607-E609 PolarHBondContact O-N 3.18Å; E609-C611 PolarHBondContact O-N 2.86Å |
| 610 | S | 73 | Confident | 63.7 | Low | 84 Ų | 84 | 168.2 Ų | 168.2 | 59% | 0.587 | 83% | 0.834 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -20.6 | 176.1 | 75 | 0 | 0 | 0 | 0 | 114.2 | D608 R612 | D608-S610 PolarHBondContact O-N 3.35Å; D608-S610 WeakPolarHBondContact OD1-CB 3.37Å; D608-S610 PolarHBondContact OD1-N 3.45Å; D608-S610 PolarHBondContact OD1-OG 3.45Å; D608-S610 WeakPolarHBondContact OD2-CB 3.29Å; D608-S610 PolarHBondContact OD2-OG 2.87Å; S610-R612 PolarHBondContact O-N 3.29Å |
| 611 | C | 59.2 | Low | 64.8 | Low | 108 Ų | 108 | 167.2 Ų | 167.2 | 73% | 0.73 | 83% | 0.825 | S | S | * | * | | | trans | -80.8 | 89.6 | 178.4 | -70.7 | 0 | 0 | 0 | 0 | 113 | E609 | E609-C611 PolarHBondContact O-N 2.86Š|
| 612 | R | 66.9 | Low | 65.7 | Low | 247 Ų | 247 | 161.3 Ų | 161.3 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | | | trans | -55.1 | 141.1 | 165.8 | -76.6 | -169.5 | 173.9 | -165.2 | -1.4 | 111.9 | S610 | S610-R612 PolarHBondContact O-N 3.29Š|
| 613 | R | 61.5 | Low | 66.7 | Low | 323 Ų | 323 | 163 Ų | 163 | 100% | 1.219 | 81% | 0.814 | S | S | * | * | | | trans | -71.1 | 0 | 171.7 | -64.3 | -174.8 | 178.8 | -146.5 | 1.5 | 112.5 | | |