| 1 | M | 42.2 | Very low | 40.3 | Very low | 229 Ų | 229 | 158.1 Ų | 158.1 | 100% | 1.128 | 86% | 0.856 | S | S | * | * | | | | 0 | 135.7 | 0 | -60.3 | 172.2 | -178.8 | 0 | 0 | 106.2 | | |
| 2 | F | 37.5 | Very low | 40.5 | Very low | 208 Ų | 208 | 161.8 Ų | 161.8 | 91% | 0.912 | 86% | 0.857 | S | S | * | * | | | cis | -108.6 | -172 | 22.8 | -89.5 | -101.8 | 0 | 0 | 0 | 115.2 | | |
| 3 | R | 38.1 | Very low | 40.9 | Very low | 243 Ų | 243 | 157.5 Ų | 157.5 | 92% | 0.917 | 86% | 0.859 | S | S | * | * | | | trans | -85.2 | 157.3 | -167.8 | -68.4 | -179.5 | 170 | -160.1 | -2.7 | 113.7 | | |
| 4 | A | 43.4 | Very low | 40.6 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | | | trans | -66 | 145.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 5 | G | 37.6 | Very low | 41.3 | Very low | 72 Ų | 72 | 149.9 Ų | 149.9 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | | | trans | -113.1 | 125.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L7 | G5-L7 PolarHBondContact O-N 3.28Š|
| 6 | H | 39.6 | Very low | 41.1 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | | | trans | -78.7 | 102 | -176.4 | -179.7 | -47.3 | 0 | 0 | 0 | 111.4 | K8 | H6-K8 PolarHBondContact O-N 3.43Å; H6-K8 VanDerWaalsContact O-N 3.1Å |
| 7 | L | 42.8 | Very low | 41.6 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | | | trans | -72.1 | 101.8 | 170.2 | -75.1 | 172.2 | 0 | 0 | 0 | 110.4 | G5 T9 | G5-L7 PolarHBondContact O-N 3.28Å; L7-T9 PolarHBondContact O-N 3.1Å |
| 8 | K | 42.8 | Very low | 42.2 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | | | trans | -72.3 | 118.4 | 168.8 | -69 | -177.4 | 177.2 | -176.7 | 0 | 109 | H6 I10 | H6-K8 PolarHBondContact O-N 3.43Å; H6-K8 VanDerWaalsContact O-N 3.1Å; K8-I10 PolarHBondContact O-N 3.22Å |
| 9 | T | 40.2 | Very low | 42.8 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | | | trans | -68.4 | 115.6 | 170.2 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | L7 G11 | L7-T9 PolarHBondContact O-N 3.1Å; T9-G11 PolarHBondContact O-N 3.28Å |
| 10 | I | 42.4 | Very low | 43.7 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | -62.6 | 120.3 | 175.5 | -72.1 | 164.1 | 0 | 0 | 0 | 108.8 | K8 K12 | K8-I10 PolarHBondContact O-N 3.22Å; I10-K12 PolarHBondContact O-N 3.38Å; I10-K12 VanDerWaalsContact O-N 3.17Å |
| 11 | G | 36.3 | Very low | 45 | Very low | 73 Ų | 73 | 150.5 Ų | 150.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -64.5 | 113.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T9 A13 | T9-G11 PolarHBondContact O-N 3.28Å; G11-A13 PolarHBondContact O-N 3.17Å |
| 12 | K | 43.3 | Very low | 46.9 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | trans | -74.6 | 118.6 | 171.6 | -159.5 | 163 | -170.6 | 168.5 | 0 | 107.4 | I10 G14 | I10-K12 PolarHBondContact O-N 3.38Å; I10-K12 VanDerWaalsContact O-N 3.17Å; K12-G14 PolarHBondContact O-N 2.82Å |
| 13 | A | 45 | Very low | 49.2 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 88% | 0.876 | 76% | 0.755 | S | S | * | * | | | trans | -60 | 96 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G11 | G11-A13 PolarHBondContact O-N 3.17Š|
| 14 | G | 37.4 | Very low | 51.6 | Low | 60 Ų | 60 | 133.9 Ų | 133.9 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | | | trans | -85.7 | 131.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | K12 G16 | K12-G14 PolarHBondContact O-N 2.82Å; G14-G16 PolarHBondContact O-N 2.82Å |
| 15 | T | 50.4 | Low | 53.9 | Low | 142 Ų | 142 | 132.5 Ų | 132.5 | 87% | 0.871 | 72% | 0.719 | S | S | * | * | | | trans | -72 | 58 | 158.2 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | W17 | T15-W17 PolarHBondContact O-N 3.19Š|
| 16 | G | 39.3 | Very low | 56.5 | Low | 44 Ų | 44 | 133 Ų | 133 | 45% | 0.454 | 70% | 0.704 | S | S | . | * | | | trans | -73.5 | 115.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | G14 H18 | G14-G16 PolarHBondContact O-N 2.82Å; G16-H18 PolarHBondContact O-CD2 2.92Å; G16-H18 PolarHBondContact O-N 3.41Å |
| 17 | W | 49.4 | Very low | 59 | Low | 221 Ų | 221 | 129.1 Ų | 129.1 | 84% | 0.837 | 69% | 0.691 | S | S | * | * | | | trans | -61.1 | 112.2 | 161.6 | -70.6 | 83.3 | 0 | 0 | 0 | 106.5 | T15 F19 | T15-W17 PolarHBondContact O-N 3.19Å; W17-F19 VanDerWaalsContact C-N 3.26Å; W17-F19 HydrophobicContact CB-CD2 4.04Å; W17-F19 HydrophobicContact CB-CE2 3.71Å; W17-F19 HydrophobicContact CB-CZ 4.44Å; W17-F19 VanDerWaalsContact O-CD2 3.23Å; W17-F19 WeakPolarHBondContact O-CD2 3.25Å; W17-F19 PolarHBondContact O-N 2.92Å |
| 18 | H | 52.2 | Low | 61.5 | Low | 163 Ų | 163 | 127.1 Ų | 127.1 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | | | trans | -73.1 | 81.3 | -174.1 | -75.1 | -91.1 | 0 | 0 | 0 | 110.1 | G16 H20 R21 | G16-H18 PolarHBondContact O-CD2 2.92Å; G16-H18 PolarHBondContact O-N 3.41Å; H18-H20 PolarHBondContact O-N 3.05Å; H18-R21 PolarHBondContact O-N 2.82Å |
| 19 | F | 53.7 | Low | 64 | Low | 188 Ų | 188 | 122.2 Ų | 122.2 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 19 | 174.7 | -77.5 | -76.7 | 0 | 0 | 0 | 114.2 | W17 | W17-F19 VanDerWaalsContact C-N 3.26Å; W17-F19 HydrophobicContact CB-CD2 4.04Å; W17-F19 HydrophobicContact CB-CE2 3.71Å; W17-F19 HydrophobicContact CB-CZ 4.44Å; W17-F19 VanDerWaalsContact O-CD2 3.23Å; W17-F19 WeakPolarHBondContact O-CD2 3.25Å; W17-F19 PolarHBondContact O-N 2.92Å |
| 20 | H | 59.5 | Low | 66.6 | Low | 182 Ų | 182 | 120.8 Ų | 120.8 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 29.8 | 171 | -72.8 | -63.8 | 0 | 0 | 0 | 111.9 | H18 T22 | H18-H20 PolarHBondContact O-N 3.05Å; H20-T22 PolarHBondContact O-N 3.18Å |
| 21 | R | 71.1 | Confident | 69 | Low | 113 Ų | 113 | 116 Ų | 116 | 43% | 0.426 | 62% | 0.624 | S | S | . | * | | | trans | -65.8 | 124.9 | 161.4 | -112 | 174.5 | 173.7 | -161.2 | -10.8 | 109.4 | H18 E25 L26 D29 | H18-R21 PolarHBondContact O-N 2.82Å; R21-E25 HydrophobicContact CG-CB 3.93Å; R21-E25 HydrophobicContact CG-CG 4.5Å; R21-E25 WeakPolarHBondContact CG-OE2 3.43Å; R21-L26 HydrophobicContact CB-CD2 4.39Å; R21-L26 HydrophobicContact CB-CG 4.3Å; R21-D29 IonicContact CZ-OD1 3.14Å; R21-D29 IonicContact CZ-OD2 2.76Å; R21-D29 IonicContact NH1-OD1 3.72Å; R21-D29 IonicContact NH1-OD2 2.64Å; R21-D29 PolarHBondContact NH1-OD2 3.05Å; R21-D29 IonicContact NH2-OD1 2.84Å; R21-D29 PolarHBondContact NH2-OD1 2.92Å; R21-D29 IonicContact NH2-OD2 3.79Å; R21-D29 PolarHBondContact NH2-OD2 3.2Å |
| 22 | T | 83.3 | Confident | 71.7 | Confident | 67 Ų | 67 | 114.8 Ų | 114.8 | 41% | 0.411 | 60% | 0.604 | S | S | . | * | | | trans | -64.7 | 161.1 | 170.4 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | H20 D24 E25 L26 | H20-T22 PolarHBondContact O-N 3.18Å; T22-D24 PolarHBondContact O-N 2.78Å; T22-E25 WeakPolarHBondContact CB-OE1 3.31Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.23Å; T22-E25 PolarHBondContact N-OE1 3.07Å; T22-E25 PolarHBondContact O-N 3.28Å; T22-E25 VanDerWaalsContact OG1-CG 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.33Å; T22-E25 PolarHBondContact OG1-N 2.86Å; T22-E25 PolarHBondContact OG1-OE1 3.32Å; T22-L26 PolarHBondContact O-N 3.48Å |
| 23 | M | 85.3 | Confident | 74.1 | Confident | 139 Ų | 139 | 107.7 Ų | 107.7 | 69% | 0.685 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.7 | -36.5 | 173 | -169.5 | 63.2 | 66 | 0 | 0 | 110.5 | L26 V27 | M23-L26 PolarHBondContact O-N 3.14Å; M23-V27 WeakPolarHBondContact O-CG2 3.44Å; M23-V27 PolarHBondContact O-N 3.05Å |
| 24 | D | 88.9 | Confident | 76.4 | Confident | 125 Ų | 125 | 107.9 Ų | 107.9 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.8 | -39.1 | -179.9 | -50.5 | -77.5 | 0 | 0 | 0 | 112.3 | T22 V27 H28 | T22-D24 PolarHBondContact O-N 2.78Å; D24-V27 PolarHBondContact O-N 3.31Å; D24-H28 VanDerWaalsContact O-CB 3.28Å; D24-H28 WeakPolarHBondContact O-CB 3.31Å; D24-H28 PolarHBondContact O-N 2.87Å |
| 25 | E | 91.2 | Very high | 78.9 | Confident | 78 Ų | 78 | 110.4 Ų | 110.4 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.1 | -40.4 | 170.5 | -76.1 | 161.6 | -96.2 | 0 | 0 | 112.5 | R21 T22 H28 D29 | R21-E25 HydrophobicContact CG-CB 3.93Å; R21-E25 HydrophobicContact CG-CG 4.5Å; R21-E25 WeakPolarHBondContact CG-OE2 3.43Å; T22-E25 WeakPolarHBondContact CB-OE1 3.31Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.23Å; T22-E25 PolarHBondContact N-OE1 3.07Å; T22-E25 PolarHBondContact O-N 3.28Å; T22-E25 VanDerWaalsContact OG1-CG 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.33Å; T22-E25 PolarHBondContact OG1-N 2.86Å; T22-E25 PolarHBondContact OG1-OE1 3.32Å; E25-H28 PolarHBondContact O-N 3.46Å; E25-D29 WeakPolarHBondContact O-CB 3.44Å; E25-D29 PolarHBondContact O-N 3.03Å |
| 26 | L | 93.1 | Very high | 80.6 | Confident | 83 Ų | 83 | 109.3 Ų | 109.3 | 44% | 0.435 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.9 | -35.3 | 178.4 | -67.5 | 170.3 | 0 | 0 | 0 | 112.2 | R21 T22 M23 L30 | R21-L26 HydrophobicContact CB-CD2 4.39Å; R21-L26 HydrophobicContact CB-CG 4.3Å; T22-L26 PolarHBondContact O-N 3.48Å; M23-L26 PolarHBondContact O-N 3.14Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 PolarHBondContact O-N 2.82Å; L26-L30 VanDerWaalsContact O-N 3.16Å |
| 27 | V | 92.3 | Very high | 82.7 | Confident | 80 Ų | 80 | 110.5 Ų | 110.5 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.9 | -40.9 | 172 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | M23 D24 L30 V31 | M23-V27 WeakPolarHBondContact O-CG2 3.44Å; M23-V27 PolarHBondContact O-N 3.05Å; D24-V27 PolarHBondContact O-N 3.31Å; V27-L30 PolarHBondContact O-N 3.1Å; V27-V31 HydrophobicContact CG1-CG2 4.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.31Å |
| 28 | H | 95 | Very high | 83.9 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -49.9 | 178.2 | -165.1 | 69.1 | 0 | 0 | 0 | 111.6 | D24 E25 L30 V31 S32 | D24-H28 VanDerWaalsContact O-CB 3.28Å; D24-H28 WeakPolarHBondContact O-CB 3.31Å; D24-H28 PolarHBondContact O-N 2.87Å; E25-H28 PolarHBondContact O-N 3.46Å; H28-L30 VanDerWaalsContact C-N 3.27Å; H28-L30 PolarHBondContact O-N 3.48Å; H28-V31 PolarHBondContact O-N 3.01Å; H28-V31 VanDerWaalsContact O-N 3.16Å; H28-S32 PolarHBondContact O-N 3.18Å; H28-S32 PolarHBondContact O-OG 2.87Å |
| 29 | D | 95.7 | Very high | 85 | Confident | 72 Ų | 72 | 100 Ų | 100 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -53.3 | -43.2 | 172.8 | -96.9 | 46.1 | 0 | 0 | 0 | 112.1 | R21 E25 A33 | R21-D29 IonicContact CZ-OD1 3.14Å; R21-D29 IonicContact CZ-OD2 2.76Å; R21-D29 IonicContact NH1-OD1 3.72Å; R21-D29 IonicContact NH1-OD2 2.64Å; R21-D29 PolarHBondContact NH1-OD2 3.05Å; R21-D29 IonicContact NH2-OD1 2.84Å; R21-D29 PolarHBondContact NH2-OD1 2.92Å; R21-D29 IonicContact NH2-OD2 3.79Å; R21-D29 PolarHBondContact NH2-OD2 3.2Å; E25-D29 WeakPolarHBondContact O-CB 3.44Å; E25-D29 PolarHBondContact O-N 3.03Å; D29-A33 WeakPolarHBondContact O-CB 3.28Å; D29-A33 PolarHBondContact O-N 3.13Å |
| 30 | L | 94.3 | Very high | 85.8 | Confident | 106 Ų | 106 | 96.8 Ų | 96.8 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.6 | -40.5 | 179.5 | 179.6 | 61.3 | 0 | 0 | 0 | 112.2 | L26 V27 H28 L34 | L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 PolarHBondContact O-N 2.82Å; L26-L30 VanDerWaalsContact O-N 3.16Å; V27-L30 PolarHBondContact O-N 3.1Å; H28-L30 VanDerWaalsContact C-N 3.27Å; H28-L30 PolarHBondContact O-N 3.48Å; L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.33Å; L30-L34 HydrophobicContact CG-CD1 4.13Å; L30-L34 WeakPolarHBondContact O-CB 3.22Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.15Å; L30-L34 PolarHBondContact O-N 3.47Å |
| 31 | V | 93.3 | Very high | 86.3 | Confident | 65 Ų | 65 | 92 Ų | 92 | 39% | 0.394 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -50.9 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 109.9 | V27 H28 A33 L34 E35 | V27-V31 HydrophobicContact CG1-CG2 4.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.31Å; H28-V31 PolarHBondContact O-N 3.01Å; H28-V31 VanDerWaalsContact O-N 3.16Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.23Å; V31-L34 PolarHBondContact O-N 2.96Å; V31-L34 VanDerWaalsContact O-N 3.11Å; V31-E35 HydrophobicContact CG1-CG 4.35Å; V31-E35 WeakPolarHBondContact O-CG 3.3Å; V31-E35 PolarHBondContact O-N 3.39Å |
| 32 | S | 92.9 | Very high | 86.1 | Confident | 49 Ų | 49 | 90.9 Ų | 90.9 | 34% | 0.343 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 178.9 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | H28 E35 E36 | H28-S32 PolarHBondContact O-N 3.18Å; H28-S32 PolarHBondContact O-OG 2.87Å; S32-E35 PolarHBondContact O-N 2.91Å; S32-E36 VanDerWaalsContact O-CB 3.31Å; S32-E36 WeakPolarHBondContact O-CB 3.24Å; S32-E36 PolarHBondContact O-N 3.39Å |
| 33 | A | 93.2 | Very high | 85.2 | Confident | 52 Ų | 52 | 96.7 Ų | 96.7 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -32.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | D29 V31 S37 | D29-A33 WeakPolarHBondContact O-CB 3.28Å; D29-A33 PolarHBondContact O-N 3.13Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.23Å; A33-S37 WeakPolarHBondContact O-CB 3.21Å; A33-S37 PolarHBondContact O-N 2.98Å |
| 34 | L | 93.6 | Very high | 84.2 | Confident | 110 Ų | 110 | 92.9 Ų | 92.9 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73.6 | -39 | 173.1 | -74.1 | 169.9 | 0 | 0 | 0 | 111.7 | L30 V31 S38 | L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.33Å; L30-L34 HydrophobicContact CG-CD1 4.13Å; L30-L34 WeakPolarHBondContact O-CB 3.22Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.15Å; L30-L34 PolarHBondContact O-N 3.47Å; V31-L34 PolarHBondContact O-N 2.96Å; V31-L34 VanDerWaalsContact O-N 3.11Å; L34-S38 WeakPolarHBondContact O-CB 3.39Å; L34-S38 PolarHBondContact O-N 2.81Å |
| 35 | E | 89.6 | Confident | 82.5 | Confident | 113 Ų | 113 | 89.5 Ų | 89.5 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 173.8 | -72.6 | 176.6 | 149.6 | 0 | 0 | 110.5 | V31 S32 S37 S38 E39 | V31-E35 HydrophobicContact CG1-CG 4.35Å; V31-E35 WeakPolarHBondContact O-CG 3.3Å; V31-E35 PolarHBondContact O-N 3.39Å; S32-E35 PolarHBondContact O-N 2.91Å; E35-S37 PolarHBondContact O-N 3.28Å; E35-S38 CarbonylContact O-C 3.5Å; E35-S38 WeakPolarHBondContact O-CA 3.47Å; E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 2.66Å; E35-S38 PolarHBondContact O-OG 3.42Å; E35-E39 PolarHBondContact O-N 3.02Å |
| 36 | E | 85 | Confident | 80.6 | Confident | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.4 | -47.9 | 174.9 | -165.7 | -162.1 | 153.3 | 0 | 0 | 111.3 | S32 S38 E39 Q40 | S32-E36 VanDerWaalsContact O-CB 3.31Å; S32-E36 WeakPolarHBondContact O-CB 3.24Å; S32-E36 PolarHBondContact O-N 3.39Å; E36-S38 PolarHBondContact O-N 3.19Å; E36-E39 PolarHBondContact O-N 3.36Å; E36-Q40 VanDerWaalsContact O-CG 3.32Å; E36-Q40 WeakPolarHBondContact O-CG 3.41Å; E36-Q40 PolarHBondContact O-N 2.78Å; E36-Q40 PolarHBondContact OE1-NE2 2.88Å |
| 37 | S | 83.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 95.9 Ų | 95.9 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.2 | -31.1 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | A33 E35 A41 | A33-S37 WeakPolarHBondContact O-CB 3.21Å; A33-S37 PolarHBondContact O-N 2.98Å; E35-S37 PolarHBondContact O-N 3.28Å; S37-A41 WeakPolarHBondContact O-CB 3.35Å; S37-A41 PolarHBondContact O-N 3.11Å |
| 38 | S | 75.6 | Confident | 76.4 | Confident | 68 Ų | 68 | 100.4 Ų | 100.4 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.7 | -37.7 | 175 | 84.1 | 0 | 0 | 0 | 0 | 112 | L34 E35 E36 A41 A42 | L34-S38 WeakPolarHBondContact O-CB 3.39Å; L34-S38 PolarHBondContact O-N 2.81Å; E35-S38 CarbonylContact O-C 3.5Å; E35-S38 WeakPolarHBondContact O-CA 3.47Å; E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 2.66Å; E35-S38 PolarHBondContact O-OG 3.42Å; E36-S38 PolarHBondContact O-N 3.19Å; S38-A41 PolarHBondContact O-N 3.23Å; S38-A42 VanDerWaalsContact O-CB 3.26Å; S38-A42 WeakPolarHBondContact O-CB 3.31Å; S38-A42 PolarHBondContact O-N 3.28Å |
| 39 | E | 73.9 | Confident | 73.8 | Confident | 97 Ų | 97 | 97.8 Ų | 97.8 | 45% | 0.453 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.6 | -39.9 | 173.2 | -75.9 | -160.6 | -160.1 | 0 | 0 | 111.8 | E35 E36 A41 A42 R43 | E35-E39 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 3.36Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A42 PolarHBondContact O-N 2.74Å; E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE2-CZ 2.82Å; E39-R43 IonicContact OE2-NH1 3.42Å; E39-R43 PolarHBondContact OE2-NH1 2.64Å; E39-R43 IonicContact OE2-NH2 3.8Å; E39-R43 PolarHBondContact OE2-NH2 2.91Å |
| 40 | Q | 71.9 | Confident | 71.3 | Confident | 119 Ų | 119 | 97 Ų | 97 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61 | -43 | 172.8 | -69.8 | 177.7 | 19.8 | 0 | 0 | 111.2 | E36 | E36-Q40 VanDerWaalsContact O-CG 3.32Å; E36-Q40 WeakPolarHBondContact O-CG 3.41Å; E36-Q40 PolarHBondContact O-N 2.78Å; E36-Q40 PolarHBondContact OE1-NE2 2.88Å |
| 41 | A | 69.9 | Low | 69.2 | Low | 82 Ų | 82 | 99.8 Ų | 99.8 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.9 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S37 S38 E39 | S37-A41 WeakPolarHBondContact O-CB 3.35Å; S37-A41 PolarHBondContact O-N 3.11Å; S38-A41 PolarHBondContact O-N 3.23Å; E39-A41 VanDerWaalsContact C-N 3.34Å |
| 42 | A | 67.4 | Low | 67 | Low | 89 Ų | 89 | 105.6 Ų | 105.6 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.7 | -31.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S38 E39 G44 | S38-A42 VanDerWaalsContact O-CB 3.26Å; S38-A42 WeakPolarHBondContact O-CB 3.31Å; S38-A42 PolarHBondContact O-N 3.28Å; E39-A42 PolarHBondContact O-N 2.74Å; A42-G44 VanDerWaalsContact C-N 3.34Å; A42-G44 PolarHBondContact O-N 3.24Å |
| 43 | R | 63.5 | Low | 64.8 | Low | 189 Ų | 189 | 107.9 Ų | 107.9 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.2 | -12.4 | 179.5 | -76.7 | -165.3 | 179.9 | 98.6 | 11 | 114.8 | E39 G45 | E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE2-CZ 2.82Å; E39-R43 IonicContact OE2-NH1 3.42Å; E39-R43 PolarHBondContact OE2-NH1 2.64Å; E39-R43 IonicContact OE2-NH2 3.8Å; E39-R43 PolarHBondContact OE2-NH2 2.91Å; R43-G45 VanDerWaalsContact C-N 3.34Å; R43-G45 PolarHBondContact O-N 2.84Å |
| 44 | G | 64.9 | Low | 62.8 | Low | 59 Ų | 59 | 114 Ų | 114 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | | | trans | 63.2 | 26.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | A42 | A42-G44 VanDerWaalsContact C-N 3.34Å; A42-G44 PolarHBondContact O-N 3.24Å |
| 45 | G | 52.9 | Low | 60.7 | Low | 55 Ų | 55 | 113.2 Ų | 113.2 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | | | trans | -113.9 | 132.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R43 | R43-G45 VanDerWaalsContact C-N 3.34Å; R43-G45 PolarHBondContact O-N 2.84Å |
| 46 | F | 50.3 | Low | 58.8 | Low | 220 Ų | 220 | 115.1 Ų | 115.1 | 97% | 0.965 | 71% | 0.714 | S | S | * | * | | | | 55.8 | 46.5 | 59.5 | -68.2 | -79.7 | 0 | 0 | 0 | 113.9 | | |
| 47 | G | 46.2 | Very low | 57.2 | Low | 74 Ų | 74 | 113 Ų | 113 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | | | trans | -94.8 | 127 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 48 | D | 51.1 | Low | 55.4 | Low | 176 Ų | 176 | 115.5 Ų | 115.5 | 94% | 0.941 | 74% | 0.74 | S | S | * | * | | | trans | -49 | 136.9 | -179.9 | -172.2 | 20.7 | 0 | 0 | 0 | 114.6 | | |
| 49 | G | 40.7 | Very low | 54.3 | Low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | trans | 169.2 | 17 | -175.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 50 | G | 44.1 | Very low | 52.9 | Low | 55 Ų | 55 | 123.5 Ų | 123.5 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | | | trans | 78.5 | 106.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | H52 | G50-H52 PolarHBondContact O-N 2.88Š|
| 51 | D | 48.7 | Very low | 52 | Low | 165 Ų | 165 | 127.6 Ų | 127.6 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | S | Bend | | 69.9 | 13.9 | 125.6 | -58.9 | -3.6 | 0 | 0 | 0 | 123.8 | | |
| 52 | H | 48.3 | Very low | 51.1 | Low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -124.2 | -6.9 | 175.6 | -75.2 | -27.1 | 0 | 0 | 0 | 118.9 | G50 | G50-H52 PolarHBondContact O-N 2.88Š|
| 53 | A | 47.4 | Very low | 49.9 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | trans | -92.6 | 5.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 54 | L | 50.8 | Low | 48.9 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | | | trans | -105.2 | 68.4 | -169.4 | -64.5 | -178.5 | 0 | 0 | 0 | 115.1 | | |
| 55 | A | 47.8 | Very low | 48.5 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -144.9 | -5.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 56 | V | 50.9 | Low | 48.6 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 93% | 0.927 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -128.9 | 70.9 | -173.8 | -166.7 | 0 | 0 | 0 | 0 | 112 | | |
| 57 | G | 51.9 | Low | 48.4 | Very low | 75 Ų | 75 | 152.3 Ų | 152.3 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | | | trans | -167 | 57.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 58 | C | 45.4 | Very low | 48.8 | Very low | 121 Ų | 121 | 160.7 Ų | 160.7 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | | | trans | -146.4 | 77.4 | 179.1 | -92.4 | 0 | 0 | 0 | 0 | 113.3 | L60 | C58-L60 PolarHBondContact O-N 2.76Š|
| 59 | L | 51.4 | Low | 48.7 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 95% | 0.953 | 85% | 0.845 | S | S | * | * | | | trans | -73.6 | 62.5 | 172.2 | -72.7 | 173.8 | 0 | 0 | 0 | 112.3 | K61 | L59-K61 PolarHBondContact O-N 2.66Š|
| 60 | L | 44.7 | Very low | 49.1 | Very low | 150 Ų | 150 | 163.7 Ų | 163.7 | 79% | 0.785 | 85% | 0.852 | S | S | * | * | | | trans | -78.3 | 83.6 | -174.9 | -153.6 | 76.1 | 0 | 0 | 0 | 112.3 | C58 R62 | C58-L60 PolarHBondContact O-N 2.76Å; L60-R62 WeakPolarHBondContact O-CG 3.36Å; L60-R62 PolarHBondContact O-N 2.9Å |
| 61 | K | 54.4 | Low | 49.2 | Very low | 206 Ų | 206 | 170.1 Ų | 170.1 | 90% | 0.896 | 87% | 0.865 | S | S | * | * | | | trans | -46.1 | 96.3 | 177.8 | -169.3 | 171.2 | -179.6 | 172.9 | 0 | 112.6 | L59 Q63 | L59-K61 PolarHBondContact O-N 2.66Å; K61-Q63 PolarHBondContact O-N 3.07Å |
| 62 | R | 49.3 | Very low | 49.2 | Very low | 236 Ų | 236 | 173.5 Ų | 173.5 | 89% | 0.891 | 87% | 0.865 | S | S | * | * | | | trans | -76.7 | 114.1 | -174.3 | -72.1 | -170.1 | 172 | -164.3 | -2.9 | 112.8 | L60 | L60-R62 WeakPolarHBondContact O-CG 3.36Å; L60-R62 PolarHBondContact O-N 2.9Å |
| 63 | Q | 42.9 | Very low | 48.8 | Very low | 191 Ų | 191 | 174.9 Ų | 174.9 | 89% | 0.893 | 86% | 0.863 | S | S | * | * | | | trans | -63 | 135.8 | 167.9 | -70.1 | -174.6 | -13.9 | 0 | 0 | 112.1 | K61 R65 | K61-Q63 PolarHBondContact O-N 3.07Å; Q63-R65 PolarHBondContact O-N 3.3Å |
| 64 | A | 43.3 | Very low | 48.5 | Very low | 100 Ų | 100 | 175.8 Ų | 175.8 | 83% | 0.826 | 86% | 0.863 | S | S | * | * | | | trans | -78.5 | 88.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K66 | A64-K66 PolarHBondContact O-N 3.19Š|
| 65 | R | 56.9 | Low | 47.9 | Very low | 238 Ų | 238 | 174.1 Ų | 174.1 | 90% | 0.898 | 86% | 0.855 | S | S | * | * | | | trans | -66.3 | 98.8 | 177.6 | -168.9 | 177.7 | -172.9 | -177.2 | 4.6 | 111.7 | Q63 R67 | Q63-R65 PolarHBondContact O-N 3.3Å; R65-R67 PolarHBondContact O-N 3.27Å |
| 66 | K | 53.6 | Low | 47.6 | Very low | 205 Ų | 205 | 175.9 Ų | 175.9 | 89% | 0.891 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 127.4 | 175.4 | -69.9 | -175.6 | 177.8 | 179.9 | 0 | 111.1 | A64 | A64-K66 PolarHBondContact O-N 3.19Š|
| 67 | R | 47.6 | Very low | 47.2 | Very low | 243 Ų | 243 | 174.5 Ų | 174.5 | 92% | 0.917 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 123.4 | 179.4 | -71.7 | 177.9 | 66 | -151.7 | 0.2 | 110.7 | R65 | R65-R67 PolarHBondContact O-N 3.27Š|
| 68 | R | 53.4 | Low | 46.7 | Very low | 250 Ų | 250 | 178.3 Ų | 178.3 | 94% | 0.943 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 133.1 | 174.7 | -153.2 | 174 | -165.6 | -106.6 | 6.1 | 110.3 | | |
| 69 | G | 49.4 | Very low | 46.7 | Very low | 74 Ų | 74 | 177 Ų | 177 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K71 | G69-K71 PolarHBondContact O-N 3.37Š|
| 70 | R | 49.8 | Very low | 46.4 | Very low | 236 Ų | 236 | 174.2 Ų | 174.2 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | | | trans | -86.8 | 101.2 | 176.3 | -176.5 | 176.8 | -178.5 | -106.2 | 0.5 | 109.9 | R72 | R70-R72 PolarHBondContact O-N 3.37Š|
| 71 | K | 44.8 | Very low | 46.1 | Very low | 189 Ų | 189 | 177.2 Ų | 177.2 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | | | trans | -53.7 | 121.7 | 174.2 | -165.3 | 166 | -173.6 | 169.4 | 0 | 109.9 | G69 | G69-K71 PolarHBondContact O-N 3.37Š|
| 72 | R | 48.2 | Very low | 45 | Very low | 237 Ų | 237 | 175.4 Ų | 175.4 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | | | trans | -72.5 | 131.5 | 172.3 | -61.2 | 175.6 | 86.1 | -178.2 | 5.1 | 108 | R70 | R70-R72 PolarHBondContact O-N 3.37Š|
| 73 | R | 41.5 | Very low | 44.3 | Very low | 215 Ų | 215 | 170.9 Ų | 170.9 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | -113.9 | 144.9 | 153.1 | -73.7 | -175.5 | 179.8 | -102.9 | 6.7 | 106.4 | | |
| 74 | S | 41.1 | Very low | 43.9 | Very low | 117 Ų | 117 | 165 Ų | 165 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -110.4 | 95.8 | -179.9 | 48.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 75 | D | 37.4 | Very low | 43.5 | Very low | 145 Ų | 145 | 169.3 Ų | 169.3 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | | | trans | -93.1 | 99.8 | 177.1 | -54 | -51.6 | 0 | 0 | 0 | 107.8 | | |
| 76 | N | 41.7 | Very low | 42.5 | Very low | 131 Ų | 131 | 165.4 Ų | 165.4 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -114 | 100.9 | 178.5 | -178.7 | 75.3 | 0 | 0 | 0 | 110.1 | H78 | N76-H78 PolarHBondContact O-N 3.37Š|
| 77 | P | 42.8 | Very low | 41.9 | Very low | 124 Ų | 124 | 160.8 Ų | 160.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -77 | 99.6 | 175.3 | -9.3 | 26.9 | 0 | 0 | 0 | 110 | | |
| 78 | H | 40.6 | Very low | 41.3 | Very low | 155 Ų | 155 | 158.2 Ų | 158.2 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | | | trans | -81.6 | 132.7 | 171.6 | -161.8 | -71 | 0 | 0 | 0 | 109.9 | N76 | N76-H78 PolarHBondContact O-N 3.37Š|
| 79 | P | 46.7 | Very low | 40.6 | Very low | 92 Ų | 92 | 150 Ų | 150 | 60% | 0.597 | 79% | 0.794 | S | S | * | * | | | trans | -68.1 | 136 | 171.1 | -17.4 | 31.5 | 0 | 0 | 0 | 111.1 | | |
| 80 | P | 43.6 | Very low | 40.2 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -108.3 | 94.2 | -178.8 | 36.1 | -29.1 | 0 | 0 | 0 | 113.6 | | |
| 81 | W | 39.3 | Very low | 40.1 | Very low | 213 Ų | 213 | 150.6 Ų | 150.6 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | trans | -174.2 | 150.2 | 156.8 | 62.5 | -69.7 | 0 | 0 | 0 | 107.5 | | |
| 82 | E | 30.9 | Very low | 39.8 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | cis | -148.9 | -178.8 | -1.2 | -139.4 | 160.1 | -142 | 0 | 0 | 111.3 | | |
| 83 | T | 35.7 | Very low | 39.5 | Very low | 140 Ų | 140 | 141 Ų | 141 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -115 | 138.6 | -168.1 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 84 | G | 32.7 | Very low | 39.4 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | 152.3 | 135.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 85 | H | 36.1 | Very low | 39.4 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 89% | 0.889 | 79% | 0.788 | S | S | * | * | | | cis | -135 | 171.9 | 3.3 | -94.9 | -106 | 0 | 0 | 0 | 112.4 | | |
| 86 | L | 35.8 | Very low | 39.6 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -44.4 | 141.2 | 174.4 | -53.4 | 174 | 0 | 0 | 0 | 113 | | |
| 87 | S | 39.7 | Very low | 39.4 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | | 66 | 142.2 | 88.5 | -142.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 88 | E | 35.9 | Very low | 39.2 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | cis | -141.7 | -170.1 | 26.2 | -64.7 | 164.3 | 70.3 | 0 | 0 | 111.8 | | |
| 89 | G | 37.9 | Very low | 39.2 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 113.9 | 73.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 90 | S | 42.8 | Very low | 38.9 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -100.8 | 118.8 | 155 | -67.6 | 0 | 0 | 0 | 0 | 109 | | |
| 91 | E | 46.2 | Very low | 38.7 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -139.9 | 145.8 | 159.7 | 67.3 | -177.1 | 119 | 0 | 0 | 111.9 | | |
| 92 | S | 39.2 | Very low | 38.6 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -139.2 | 111.1 | -176.9 | 59.1 | 0 | 0 | 0 | 0 | 109 | | |
| 93 | S | 42.2 | Very low | 38.8 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -161.3 | 121.3 | 175.4 | -102.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 94 | V | 38.6 | Very low | 38.9 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | | | | 101.4 | 125.6 | 64.7 | 84.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 95 | E | 40.7 | Very low | 38.8 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | 149.6 | 131.7 | 131 | -164.6 | 56.4 | -90.5 | 0 | 0 | 111.1 | | |
| 96 | E | 43.5 | Very low | 38.6 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -98.8 | 139.9 | 174.3 | -70.1 | -176.1 | 92.6 | 0 | 0 | 110.1 | | |
| 97 | H | 36.1 | Very low | 38.6 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | trans | -151.3 | 89.6 | 166.1 | -140.7 | -103.3 | 0 | 0 | 0 | 115.4 | | |
| 98 | K | 39 | Very low | 38.4 | Very low | 152 Ų | 152 | 135 Ų | 135 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | | | trans | 62.7 | 147.6 | 134 | -68.2 | -176.4 | -170.3 | 126.7 | 0 | 118.6 | | |
| 99 | D | 40.4 | Very low | 38.3 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | | | cis | -164.7 | 153.4 | 8.8 | -125.5 | -21.7 | 0 | 0 | 0 | 111.8 | | |
| 100 | Y | 41 | Very low | 38.2 | Very low | 212 Ų | 212 | 131.7 Ų | 131.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | 58 | 158.9 | 167.3 | -65.6 | -70.1 | 0 | 0 | 0 | 118.1 | | |
| 101 | R | 39.9 | Very low | 37.7 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | cis | -141 | 151.1 | 3.4 | 171.5 | 175.6 | -82.8 | -172.5 | -5.6 | 109.6 | | |
| 102 | A | 36.3 | Very low | 37.2 | Very low | 101 Ų | 101 | 128 Ų | 128 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -75.2 | 156 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 103 | G | 35.8 | Very low | 37 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -164.6 | 116.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 104 | S | 36.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -111.9 | 119 | -163.5 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 105 | G | 32.1 | Very low | 36.6 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | 66.5 | 141.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 106 | G | 31.1 | Very low | 36.5 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | 124.4 | 130 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 107 | V | 35.1 | Very low | 36.2 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | 60.8 | 111.9 | 145.6 | -57.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 108 | S | 36.9 | Very low | 36.6 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | | 56.6 | 108.9 | 118.3 | -50 | 0 | 0 | 0 | 0 | 123.1 | | |
| 109 | A | 33.4 | Very low | 36.7 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | | 82.1 | 145.2 | 121.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 110 | A | 35 | Very low | 36.9 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 86.4 | 97.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 111 | N | 32.2 | Very low | 37.2 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | | 91.3 | 157 | 116.3 | -159.3 | 26.8 | 0 | 0 | 0 | 121.1 | | |
| 112 | S | 35.7 | Very low | 37.6 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | 74.7 | 148.6 | 175.6 | 87.7 | 0 | 0 | 0 | 0 | 115 | | |
| 113 | H | 34.9 | Very low | 37.9 | Very low | 163 Ų | 163 | 121 Ų | 121 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | cis | -167.6 | 165 | -5 | 44.7 | -80.9 | 0 | 0 | 0 | 110.1 | | |
| 114 | A | 34.4 | Very low | 38 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 58.3 | 142.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 115 | R | 39.4 | Very low | 38 | Very low | 207 Ų | 207 | 122.3 Ų | 122.3 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | cis | 117.3 | 118.3 | 14.9 | -90.9 | -79.7 | -179.7 | 173.2 | 1.4 | 112.5 | | |
| 116 | D | 38.7 | Very low | 39.2 | Very low | 107 Ų | 107 | 124 Ų | 124 | 57% | 0.572 | 75% | 0.75 | S | S | * | * | | | trans | 80.8 | 150.2 | 147 | -55.1 | -27.9 | 0 | 0 | 0 | 123.2 | | |
| 117 | N | 37.3 | Very low | 39.6 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | | | trans | 84.8 | 115.2 | 168.6 | -44.8 | -65 | 0 | 0 | 0 | 116 | | |
| 118 | S | 43 | Very low | 39.7 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | | 85.1 | 149.1 | 53.9 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 119 | D | 41.3 | Very low | 39.8 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | cis | -163.3 | 167.1 | 19.1 | -154.8 | -22.7 | 0 | 0 | 0 | 112.3 | | |
| 120 | S | 45.9 | Very low | 41 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | 59.7 | 158.9 | 141.5 | -78.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 121 | D | 46.7 | Very low | 41.9 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | | | cis | -158.5 | -159.7 | -12.3 | -170.6 | -106.1 | 0 | 0 | 0 | 109.4 | | |
| 122 | E | 47.3 | Very low | 42 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | -104.5 | -149 | -170.4 | -61.2 | -161.4 | 89.7 | 0 | 0 | 114.9 | | |
| 123 | Q | 43.5 | Very low | 41.8 | Very low | 132 Ų | 132 | 144 Ų | 144 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | | | cis | -164.1 | 163.2 | 4.2 | -144.7 | 179.5 | 73.1 | 0 | 0 | 114.7 | | |
| 124 | L | 38.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | 70.5 | 146.9 | 156.8 | -56.3 | 176 | 0 | 0 | 0 | 123 | | |
| 125 | G | 35.1 | Very low | 42.1 | Very low | 74 Ų | 74 | 143.5 Ų | 143.5 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | | | | 121.1 | 109 | 120.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 126 | P | 58.9 | Low | 42 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -119.7 | 145.7 | 177.1 | 38.7 | -29.1 | 0 | 0 | 0 | 116.7 | | |
| 127 | K | 39.3 | Very low | 41.7 | Very low | 207 Ų | 207 | 140 Ų | 140 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | | | trans | 167.9 | 136.8 | 148 | -101.1 | 162.1 | -178.5 | 170.2 | 0 | 115.2 | | |
| 128 | R | 37.1 | Very low | 41.5 | Very low | 249 Ų | 249 | 145 Ų | 145 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | | | | 174.2 | 176.6 | 121.2 | -94.6 | 174.9 | 178.8 | -159 | -2.7 | 113 | | |
| 129 | R | 38.9 | Very low | 41 | Very low | 243 Ų | 243 | 144.5 Ų | 144.5 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -141.7 | 170.6 | -167.8 | -107.1 | -169 | 177.5 | 173 | 0.8 | 112.7 | | |
| 130 | P | 58.9 | Low | 41.2 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -94 | -170.8 | -158.9 | 41.8 | -41.5 | 0 | 0 | 0 | 114.8 | | |
| 131 | P | 53.3 | Low | 40.9 | Very low | 101 Ų | 101 | 154 Ų | 154 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | | | | -157.4 | 179.4 | 94.5 | 38.5 | -17.1 | 0 | 0 | 0 | 118.8 | | |
| 132 | H | 34.9 | Very low | 40.5 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | 69.6 | 156.6 | 160.7 | -62.5 | -55.6 | 0 | 0 | 0 | 120.5 | | |
| 133 | A | 31.8 | Very low | 39.9 | Very low | 88 Ų | 88 | 152.8 Ų | 152.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | cis | -170.5 | 174.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 134 | A | 35.5 | Very low | 39.7 | Very low | 90 Ų | 90 | 155.6 Ų | 155.6 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | 85.3 | 97.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 135 | D | 38.2 | Very low | 40 | Very low | 151 Ų | 151 | 154 Ų | 154 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | | 75.6 | 145.1 | 118.1 | -88.5 | -54.4 | 0 | 0 | 0 | 127.6 | | |
| 136 | L | 38.3 | Very low | 40 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | 63.7 | 127.1 | 163.2 | -63.1 | 163.5 | 0 | 0 | 0 | 119.3 | | |
| 137 | G | 31.7 | Very low | 39 | Very low | 70 Ų | 70 | 156.6 Ų | 156.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | cis | 172.9 | -162.7 | -3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 138 | R | 34.1 | Very low | 38.7 | Very low | 252 Ų | 252 | 153.8 Ų | 153.8 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | | | trans | 78.2 | 113.2 | -179.9 | -81.9 | -173.4 | 172.8 | -107.3 | -1.5 | 120 | | |
| 139 | S | 32.7 | Very low | 38.6 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 93.7 | 96.8 | 132.4 | -162.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 140 | K | 44.8 | Very low | 38.5 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | | | trans | 64.8 | 123.9 | 142.7 | -59.9 | -75.6 | -177.7 | 170.9 | 0 | 118.1 | | |
| 141 | R | 39.3 | Very low | 37.4 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | -65.9 | 138.4 | 175.2 | -58 | 173.6 | -179.2 | 165.2 | -2.3 | 111.6 | | |
| 142 | P | 38.9 | Very low | 36.4 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | trans | -73.7 | 155.9 | 151.3 | 31.1 | -27.9 | 0 | 0 | 0 | 110 | | |
| 143 | I | 35 | Very low | 36.4 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -108.4 | 117.5 | 167.3 | -72.9 | 174 | 0 | 0 | 0 | 106.5 | | |
| 144 | W | 38.5 | Very low | 37 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | | | trans | -67 | 150.6 | 165.1 | -69.6 | 108.6 | 0 | 0 | 0 | 109.6 | | |
| 145 | P | 45.6 | Very low | 37.1 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | | -107.9 | 138.3 | 90.5 | -16.9 | 33.4 | 0 | 0 | 0 | 115.4 | | |
| 146 | D | 34.1 | Very low | 37.4 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 60% | 0.599 | 78% | 0.776 | S | S | * | * | | | trans | -66.2 | 169.4 | 147.5 | -25.9 | -94.8 | 0 | 0 | 0 | 108.7 | | |
| 147 | D | 37.3 | Very low | 37.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | cis | -160.3 | -170.5 | -6.9 | -145.1 | -10 | 0 | 0 | 0 | 106 | | |
| 148 | L | 34.8 | Very low | 38 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | cis | -156.2 | 151 | -3.8 | -172.6 | 77.9 | 0 | 0 | 0 | 103.5 | | |
| 149 | A | 35 | Very low | 38.5 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | | | cis | -143.6 | 172.6 | 12.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 150 | V | 36 | Very low | 39.2 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -134.5 | 121.5 | 148.7 | 172.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 151 | L | 36.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 143 Ų | 143 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | -151.4 | 105.9 | 150 | -145.9 | 84.1 | 0 | 0 | 0 | 109.1 | | |
| 152 | G | 31.3 | Very low | 40.1 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | -109.4 | 108.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 153 | S | 34 | Very low | 41.3 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -70.6 | 154.7 | 163.5 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 154 | A | 44.3 | Very low | 42.4 | Very low | 89 Ų | 89 | 153 Ų | 153 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -132 | 52 | -154.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G156 | A154-G156 PolarHBondContact O-N 2.83Š|
| 155 | E | 39.1 | Very low | 43.5 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -90.8 | 91.3 | 178 | -74.8 | 62.5 | -135.4 | 0 | 0 | 112.4 | | |
| 156 | G | 43.8 | Very low | 44.1 | Very low | 77 Ų | 77 | 154.5 Ų | 154.5 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -101.2 | 65.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A154 | A154-G156 PolarHBondContact O-N 2.83Š|
| 157 | T | 40.9 | Very low | 45.6 | Very low | 136 Ų | 136 | 158 Ų | 158 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | -133.7 | 90.5 | -180 | 45.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 158 | R | 42.9 | Very low | 47.1 | Very low | 240 Ų | 240 | 162.2 Ų | 162.2 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | trans | -145 | 121.7 | 159.5 | -146.8 | 169.9 | -163.5 | -89.5 | 0.2 | 113.8 | | |
| 159 | S | 42.5 | Very low | 48.1 | Very low | 109 Ų | 109 | 162.5 Ų | 162.5 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | | | trans | -67.5 | 130.8 | -172.3 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | R161 | S159-R161 VanDerWaalsContact C-N 3.27Å; S159-R161 PolarHBondContact O-N 3.37Å |
| 160 | L | 48.1 | Very low | 49.3 | Very low | 174 Ų | 174 | 163.1 Ų | 163.1 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | | | trans | -79.1 | 67.8 | -172.5 | -159.1 | 83.6 | 0 | 0 | 0 | 112.4 | R162 | L160-R162 PolarHBondContact O-N 3.4Š|
| 161 | R | 48.5 | Very low | 50.1 | Low | 232 Ų | 232 | 163.2 Ų | 163.2 | 88% | 0.875 | 83% | 0.827 | S | S | * | * | | | trans | -57.3 | 107.7 | -176.5 | -152.5 | 176.9 | -164.9 | -171.6 | 7.2 | 110.8 | S159 R163 | S159-R161 VanDerWaalsContact C-N 3.27Å; S159-R161 PolarHBondContact O-N 3.37Å; R161-R163 PolarHBondContact O-N 3.11Å |
| 162 | R | 54.6 | Low | 51.3 | Low | 245 Ų | 245 | 161.6 Ų | 161.6 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | | | trans | -59.8 | 89.5 | -168.1 | -178.8 | 180 | 164.1 | -144.4 | 0.7 | 113.6 | L160 R164 | L160-R162 PolarHBondContact O-N 3.4Å; R162-R164 PolarHBondContact O-N 2.79Å |
| 163 | R | 64.7 | Low | 52.9 | Low | 235 Ų | 235 | 163.8 Ų | 163.8 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | trans | -58.7 | 130.8 | 177.7 | -61.9 | 175.5 | 75.3 | -176 | 5 | 111.1 | R161 | R161-R163 PolarHBondContact O-N 3.11Š|
| 164 | R | 57.5 | Low | 54.1 | Low | 241 Ų | 241 | 164.1 Ų | 164.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -66.2 | 135.8 | 171.8 | -85.6 | 179.5 | 167.7 | 164.6 | -2.8 | 110 | R162 V166 | R162-R164 PolarHBondContact O-N 2.79Å; R164-V166 PolarHBondContact O-N 2.95Å |
| 165 | K | 60.9 | Low | 54.7 | Low | 214 Ų | 214 | 166.6 Ų | 166.6 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | | | trans | -73.3 | 109.8 | 168.7 | -68.4 | -174.2 | 177.9 | -176.9 | 0 | 109.2 | | |
| 166 | V | 58.3 | Low | 55 | Low | 129 Ų | 129 | 166.6 Ų | 166.6 | 78% | 0.782 | 83% | 0.827 | S | S | * | * | | | trans | -76.2 | 128.6 | 165.9 | 178.7 | 0 | 0 | 0 | 0 | 108 | R164 R168 | R164-V166 PolarHBondContact O-N 2.95Å; V166-R168 PolarHBondContact O-N 3.16Å |
| 167 | K | 65.9 | Low | 55.5 | Low | 184 Ų | 184 | 168.1 Ų | 168.1 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | | | trans | -80.6 | 113 | 170 | 179.6 | 169.3 | 176.8 | 179 | 0 | 107.8 | | |
| 168 | R | 68.4 | Low | 55.6 | Low | 229 Ų | 229 | 169.6 Ų | 169.6 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 135 | 166.2 | -54.1 | -172 | 92.1 | 172.6 | 5.8 | 107.8 | V166 | V166-R168 PolarHBondContact O-N 3.16Š|
| 169 | M | 55.9 | Low | 55.5 | Low | 154 Ų | 154 | 163.5 Ų | 163.5 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 155.9 | 162 | -64.3 | -59.4 | -74.6 | 0 | 0 | 108.6 | | |
| 170 | A | 61.2 | Low | 55.2 | Low | 92 Ų | 92 | 167 Ų | 167 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 136.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 171 | V | 53.4 | Low | 54.7 | Low | 138 Ų | 138 | 164.4 Ų | 164.4 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | | | trans | -114.9 | 115.4 | 162.6 | 177.7 | 0 | 0 | 0 | 0 | 103.6 | | |
| 172 | D | 60.2 | Low | 54 | Low | 138 Ų | 138 | 158.9 Ų | 158.9 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.1 | 177.1 | -66.1 | -46.3 | 0 | 0 | 0 | 109.3 | | |
| 173 | P | 66.5 | Low | 53.2 | Low | 112 Ų | 112 | 154.4 Ų | 154.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 144.1 | 179.5 | 27.9 | -34.4 | 0 | 0 | 0 | 110.3 | | |
| 174 | P | 57.6 | Low | 52 | Low | 115 Ų | 115 | 151.4 Ų | 151.4 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 150.1 | 169.7 | 28.7 | -34.7 | 0 | 0 | 0 | 110.1 | E176 | P174-E176 PolarHBondContact O-N 3.43Š|
| 175 | V | 57.6 | Low | 51.2 | Low | 142 Ų | 142 | 148.2 Ų | 148.2 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 117 | 175 | 171.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 176 | E | 45.6 | Very low | 50 | Low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 134.9 | 170.6 | -73.1 | -74.3 | 169.8 | 0 | 0 | 110.7 | P174 | P174-E176 PolarHBondContact O-N 3.43Š|
| 177 | P | 53.8 | Low | 49.5 | Very low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 130.2 | 169.1 | 31.8 | -31.4 | 0 | 0 | 0 | 111.1 | | |
| 178 | E | 43.2 | Very low | 48.5 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 129.7 | 178.9 | -69.7 | -80 | 121.2 | 0 | 0 | 112.8 | H180 | E178-H180 PolarHBondContact O-N 3.46Š|
| 179 | P | 42.1 | Very low | 47.3 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 131.6 | 178.1 | 29 | -34.2 | 0 | 0 | 0 | 111.2 | S181 | P179-S181 PolarHBondContact O-N 2.81Š|
| 180 | H | 35.6 | Very low | 46.9 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 121.4 | -178.7 | -46.7 | -42.4 | 0 | 0 | 0 | 111 | E178 S182 | E178-H180 PolarHBondContact O-N 3.46Å; H180-S182 PolarHBondContact O-N 2.83Å |
| 181 | S | 36.8 | Very low | 45.8 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -69.5 | 114.4 | 179.5 | 39.1 | 0 | 0 | 0 | 0 | 111.5 | P179 | P179-S181 PolarHBondContact O-N 2.81Š|
| 182 | S | 34.2 | Very low | 44.8 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -72.1 | 151 | 172 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | H180 | H180-S182 PolarHBondContact O-N 2.83Š|
| 183 | I | 38.5 | Very low | 43.4 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -81.1 | 127.9 | -169.8 | -60.6 | 166.5 | 0 | 0 | 0 | 110.6 | | |
| 184 | L | 38.1 | Very low | 41.8 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -126.2 | 139.6 | 155.8 | -73.3 | 176.9 | 0 | 0 | 0 | 109.4 | | |
| 185 | L | 40.9 | Very low | 40.4 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -82.9 | 135 | -170.8 | -70.2 | 161.7 | 0 | 0 | 0 | 111.8 | | |
| 186 | G | 35.7 | Very low | 39.1 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | | | trans | -136 | 146.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 187 | P | 48.8 | Very low | 38.3 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 147.4 | -172.8 | 29.3 | -35.1 | 0 | 0 | 0 | 112.9 | | |
| 188 | P | 45.4 | Very low | 37.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 138.9 | -172.9 | 31.5 | -35.4 | 0 | 0 | 0 | 113.5 | | |
| 189 | P | 42 | Very low | 36.7 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 129 | 169.5 | 30.9 | -32.6 | 0 | 0 | 0 | 111.5 | | |
| 190 | V | 46.8 | Very low | 36.1 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 133 | -180 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 191 | P | 39.1 | Very low | 35.9 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 139.7 | -179.8 | 29 | -35.3 | 0 | 0 | 0 | 112.5 | | |
| 192 | K | 33.3 | Very low | 35.7 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -111.9 | 135.6 | 171.2 | -75.6 | -176.3 | 175.2 | 179.1 | 0 | 110.9 | | |
| 193 | A | 30.7 | Very low | 35.4 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -149.2 | 154.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 194 | R | 31.1 | Very low | 34.9 | Very low | 235 Ų | 235 | 140.6 Ų | 140.6 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | 85.4 | 120.5 | 170.4 | -60.8 | -174.4 | 169.8 | -172.2 | -3.5 | 119.3 | | |
| 195 | V | 29.6 | Very low | 34.7 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | 61.6 | 132.3 | 133.2 | -176.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 196 | G | 29.6 | Very low | 34.4 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | cis | 155.7 | 160.2 | -13.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 197 | S | 28.6 | Very low | 34.3 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | 81.1 | 142.4 | 157.1 | 82.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 198 | R | 34.2 | Very low | 33.9 | Very low | 235 Ų | 235 | 146.3 Ų | 146.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | 73.1 | 148 | 166.2 | -44.7 | -171 | -175.1 | -155 | -1.5 | 116.1 | | |
| 199 | S | 30.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | cis | -139.8 | 128.3 | 15.3 | -68.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 200 | H | 29.2 | Very low | 33 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | 19.1 | 121.8 | 134.9 | -169.3 | -95.6 | 0 | 0 | 0 | 122.3 | | |
| 201 | R | 30.1 | Very low | 32.6 | Very low | 225 Ų | 225 | 144.3 Ų | 144.3 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | | | | -166.4 | 114.9 | 127.2 | -110.6 | -166.5 | -67.3 | -128.3 | 5.3 | 115 | | |
| 202 | L | 32.8 | Very low | 32.4 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | | | trans | 44.8 | 128.4 | 138.9 | -55.6 | 174.6 | 0 | 0 | 0 | 123.5 | | |
| 203 | C | 27.6 | Very low | 32.5 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 92% | 0.919 | 78% | 0.784 | S | S | * | * | | | trans | 55.6 | 149.3 | 150.2 | -59.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 204 | G | 28.4 | Very low | 32.5 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | cis | 167.5 | 165.2 | -0.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 205 | N | 33.5 | Very low | 32.4 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | cis | -148.8 | 167 | -3.2 | 63.9 | -47.7 | 0 | 0 | 0 | 110.5 | | |
| 206 | E | 34.9 | Very low | 32.3 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | 27.3 | 117.1 | 151.4 | -59.9 | 166 | 111.1 | 0 | 0 | 121.7 | | |
| 207 | S | 33.8 | Very low | 32.3 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | | -166 | 137 | 103.9 | -162 | 0 | 0 | 0 | 0 | 115 | | |
| 208 | R | 40.7 | Very low | 32.4 | Very low | 241 Ų | 241 | 136.4 Ų | 136.4 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -20.1 | 145.7 | 162.8 | -51.5 | 166.1 | -169.7 | -171.1 | 0.6 | 117.5 | | |
| 209 | G | 32.1 | Very low | 32.4 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | cis | 152.4 | 166.5 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 210 | A | 36.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | 64.4 | 148.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 211 | M | 38.2 | Very low | 32.4 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | cis | -149.8 | 145.5 | -4.2 | 88.5 | -177.7 | -79.8 | 0 | 0 | 108.8 | L213 | M211-L213 HydrophobicContact CE-CD1 4.14Š|
| 212 | E | 35.6 | Very low | 32.4 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 71% | 0.71 | 80% | 0.798 | S | S | * | * | | | | 58.2 | 149 | 92.2 | -94.6 | -165.8 | 156.2 | 0 | 0 | 116.5 | | |
| 213 | L | 35.6 | Very low | 32.3 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | | | cis | -139.7 | 154.1 | 6.1 | -85.8 | 121.5 | 0 | 0 | 0 | 108.2 | M211 | M211-L213 HydrophobicContact CE-CD1 4.14Š|
| 214 | C | 30.2 | Very low | 32.6 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | | 85.9 | 139.5 | 50.7 | -59.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 215 | G | 28.3 | Very low | 32.9 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | | | trans | 105 | 139.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 216 | G | 28.2 | Very low | 32.9 | Very low | 83 Ų | 83 | 128 Ų | 128 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | cis | 125.7 | 106 | -14.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 217 | G | 28.4 | Very low | 33.1 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 111 | 129.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 218 | L | 31.4 | Very low | 33 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | cis | 90.2 | 92.7 | 27.2 | -165.9 | 104.1 | 0 | 0 | 0 | 114.8 | | |
| 219 | L | 34.1 | Very low | 32.9 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | 179.5 | 135.5 | 132.6 | -171.4 | 58.6 | 0 | 0 | 0 | 113.5 | | |
| 220 | G | 28.9 | Very low | 33.4 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | trans | 74.5 | 90.7 | 131.7 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 221 | S | 30.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | | 79.7 | 160.1 | 126.7 | -148.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 222 | V | 30.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | 73.7 | 135 | 169.2 | -166.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 223 | G | 31.5 | Very low | 33.3 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | | | trans | 93.3 | 69.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 224 | E | 33.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | | 84.6 | 145 | 88.6 | -86.2 | -145.9 | 98.9 | 0 | 0 | 117.5 | | |
| 225 | K | 35.7 | Very low | 33.3 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 68% | 0.683 | 82% | 0.817 | S | S | * | * | | | trans | 64.3 | 96 | 154.2 | -70.2 | 155.7 | 178.1 | 142.2 | 0 | 119.8 | | |
| 226 | N | 32.4 | Very low | 33.3 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | | 53.7 | 128.2 | 119.4 | -100 | -43.4 | 0 | 0 | 0 | 119.3 | | |
| 227 | R | 38.8 | Very low | 33.7 | Very low | 235 Ų | 235 | 158.4 Ų | 158.4 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | cis | -149.8 | 178.2 | 37.3 | -63.8 | 173.7 | 81.1 | 163.5 | -0.4 | 113.1 | | |
| 228 | V | 32.5 | Very low | 33.8 | Very low | 141 Ų | 141 | 163 Ų | 163 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | | | trans | -80.5 | 147.8 | -162.2 | 175.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 229 | K | 38.6 | Very low | 33.6 | Very low | 186 Ų | 186 | 158 Ų | 158 | 81% | 0.809 | 82% | 0.818 | S | S | * | * | | | trans | -95.3 | 129.4 | 170.8 | -68.3 | 165.5 | 176 | 166.4 | 0 | 112.4 | | |
| 230 | K | 42.7 | Very low | 33.5 | Very low | 191 Ų | 191 | 158.6 Ų | 158.6 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | | | | 60.8 | 153 | 129 | -158.3 | 176.8 | -174.8 | 177.5 | 0 | 120.6 | | |
| 231 | R | 33 | Very low | 33.7 | Very low | 223 Ų | 223 | 163.8 Ų | 163.8 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | | | trans | 90.2 | 133.7 | 174 | -52.4 | 172.6 | -64.9 | 174.9 | 6.3 | 112.5 | | |
| 232 | K | 43.7 | Very low | 33.9 | Very low | 201 Ų | 201 | 162.9 Ų | 162.9 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | cis | 76.9 | 114.5 | 38 | -174.6 | -177.6 | 177.6 | 176.3 | 0 | 113.6 | | |
| 233 | L | 31.2 | Very low | 34 | Very low | 172 Ų | 172 | 160.8 Ų | 160.8 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | | | trans | 167.4 | 157.2 | 156.2 | -89.5 | 163.1 | 0 | 0 | 0 | 105.1 | | |
| 234 | A | 31.9 | Very low | 34 | Very low | 84 Ų | 84 | 165 Ų | 165 | 69% | 0.694 | 83% | 0.832 | S | S | * | * | | | cis | -159.4 | 173.1 | -17.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 235 | M | 33.6 | Very low | 34.1 | Very low | 186 Ų | 186 | 165.8 Ų | 165.8 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | | | trans | -101.2 | 146.8 | 163.1 | -71.1 | 167.1 | 61.3 | 0 | 0 | 110.2 | | |
| 236 | Q | 28.3 | Very low | 34.1 | Very low | 199 Ų | 199 | 161.5 Ų | 161.5 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | | | trans | -138.9 | 170.3 | 162 | -84.3 | -170.6 | -35.4 | 0 | 0 | 110.7 | | |
| 237 | R | 36.2 | Very low | 33.9 | Very low | 234 Ų | 234 | 160.7 Ų | 160.7 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | | | trans | -147.6 | 162.4 | -172.3 | -120.9 | -171.4 | -178.9 | -159.3 | 0.7 | 110.6 | | |
| 238 | L | 31.2 | Very low | 33.5 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | | | trans | 71 | 140.1 | 172.4 | -95.7 | 76.5 | 0 | 0 | 0 | 117.6 | | |
| 239 | G | 26.8 | Very low | 33.9 | Very low | 71 Ų | 71 | 155.4 Ų | 155.4 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | trans | 155.3 | 76.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 240 | L | 32.4 | Very low | 33.6 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 97% | 0.969 | 83% | 0.829 | S | S | * | * | | | trans | 66.2 | 142.9 | 142.8 | -68.2 | 163.8 | 0 | 0 | 0 | 123.8 | | |
| 241 | E | 32.2 | Very low | 33.3 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | | | trans | -65.8 | 150.3 | 165.5 | -98 | -87.9 | 164.4 | 0 | 0 | 114.8 | | |
| 242 | A | 34.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 147 Ų | 147 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -167 | 156 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 243 | A | 34 | Very low | 32.9 | Very low | 96 Ų | 96 | 145 Ų | 145 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | -126.1 | 156.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 244 | D | 30.3 | Very low | 33.6 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -163.1 | 117.5 | 164.8 | -134.5 | 26.4 | 0 | 0 | 0 | 104.4 | | |
| 245 | E | 36.4 | Very low | 33.8 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | | 72.3 | 138.8 | 71.7 | -76 | -68.1 | 179.7 | 0 | 0 | 115.8 | | |
| 246 | G | 34.8 | Very low | 33.7 | Very low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | trans | 95.2 | 104.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 247 | V | 30.1 | Very low | 33.9 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | cis | 88.3 | 101.4 | 39.5 | -176.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 248 | V | 29.7 | Very low | 34.5 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | | 176.4 | 142.3 | 126.3 | 153.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 249 | V | 40.4 | Very low | 34.4 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -144.4 | 118.8 | 169.8 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 250 | E | 32.7 | Very low | 34.7 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -145.7 | 134.8 | 159.9 | -61.9 | -173.2 | 123.9 | 0 | 0 | 104 | | |
| 251 | S | 35.5 | Very low | 34.4 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | | | cis | 67.2 | 135.1 | 46.5 | 91.6 | 0 | 0 | 0 | 0 | 112 | | |
| 252 | E | 33.6 | Very low | 34.3 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | | | cis | -161.6 | 163.6 | 1 | 52.4 | -136.4 | 65.7 | 0 | 0 | 111.9 | | |
| 253 | D | 36.1 | Very low | 34.4 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -79.5 | 148.6 | 167.6 | -78.1 | -57.1 | 0 | 0 | 0 | 111.9 | | |
| 254 | P | 45.7 | Very low | 34.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | | -144.4 | 160 | 122 | 35.5 | -20.6 | 0 | 0 | 0 | 115.9 | | |
| 255 | L | 35.4 | Very low | 35.2 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | | | trans | -80.6 | 147.8 | -177.6 | -49.8 | 93 | 0 | 0 | 0 | 114.5 | | |
| 256 | S | 32.5 | Very low | 35.1 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | | 171.2 | 165.3 | 126.7 | 43.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 257 | S | 32 | Very low | 35 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | | | trans | -125.1 | -163.7 | -177.3 | 66.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 258 | P | 47.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | | | cis | -135.1 | 173.6 | -15.1 | 40.7 | -25.6 | 0 | 0 | 0 | 114.6 | | |
| 259 | K | 30.9 | Very low | 35.8 | Very low | 208 Ų | 208 | 152.3 Ų | 152.3 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | | | trans | -173.6 | 164.5 | 133.4 | -113.7 | 179.3 | 179.5 | -179 | 0 | 115.7 | | |
| 260 | E | 31.3 | Very low | 35.7 | Very low | 193 Ų | 193 | 153.1 Ų | 153.1 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | | | trans | -106.9 | 164.1 | -175 | -53.5 | 160.5 | 97.9 | 0 | 0 | 113.4 | | |
| 261 | G | 27.5 | Very low | 35.9 | Very low | 77 Ų | 77 | 154.9 Ų | 154.9 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | | 116.5 | 80.3 | 117.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 262 | S | 29.4 | Very low | 36 | Very low | 118 Ų | 118 | 160.5 Ų | 160.5 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | | | trans | -168.8 | 124.6 | 147.5 | 49.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 263 | K | 35.7 | Very low | 35.8 | Very low | 210 Ų | 210 | 155.6 Ų | 155.6 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | | | cis | 83.4 | 89.6 | 22.6 | -162.4 | -171 | 179.3 | -177.3 | 0 | 115.2 | | |
| 264 | E | 34.4 | Very low | 35.7 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | | | trans | -140.7 | 155.1 | 158.1 | -156.1 | 154.7 | -124.8 | 0 | 0 | 110.2 | | |
| 265 | K | 48.2 | Very low | 35.2 | Very low | 203 Ų | 203 | 155 Ų | 155 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | | | trans | -150.3 | 115 | -172.5 | -122.8 | -160.6 | -179.8 | -163.6 | 0 | 109 | | |
| 266 | M | 33.9 | Very low | 35.3 | Very low | 171 Ų | 171 | 155 Ų | 155 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | | | trans | -167.8 | 147.9 | 175.1 | -127.8 | 155.6 | -175.9 | 0 | 0 | 108 | | |
| 267 | E | 32.8 | Very low | 35.5 | Very low | 162 Ų | 162 | 155.6 Ų | 155.6 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | | | cis | -158.1 | 169.4 | -26.8 | -178.9 | 154.1 | -167.4 | 0 | 0 | 107.3 | | |
| 268 | L | 38.5 | Very low | 35.9 | Very low | 147 Ų | 147 | 158.3 Ų | 158.3 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | | | trans | -87.8 | 135.9 | 174 | 173.7 | 70 | 0 | 0 | 0 | 109.3 | | |
| 269 | D | 39 | Very low | 35.6 | Very low | 159 Ų | 159 | 157 Ų | 157 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -145.5 | 151.1 | 158.4 | -133 | -28.9 | 0 | 0 | 0 | 111.7 | | |
| 270 | E | 38.2 | Very low | 35.7 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | trans | -100.7 | 140.2 | -170 | -59.5 | -177.4 | 106.8 | 0 | 0 | 112.5 | | |
| 271 | Q | 35 | Very low | 35.8 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | | | trans | -130.2 | 144.7 | 156.8 | -79.1 | -165.7 | -97.3 | 0 | 0 | 111.7 | | |
| 272 | K | 38 | Very low | 36.1 | Very low | 206 Ų | 206 | 153.4 Ų | 153.4 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -142.9 | 134.3 | -150.9 | -178.1 | 173.7 | -177.6 | 169 | 0 | 111.5 | | |
| 273 | G | 30.4 | Very low | 36.1 | Very low | 63 Ų | 63 | 153.5 Ų | 153.5 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | 149.8 | 108.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 274 | S | 34.4 | Very low | 36.2 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | | 87.3 | 88.8 | 50.4 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 275 | D | 33.4 | Very low | 36.4 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -162 | 108.1 | 134.9 | -115.6 | 15.7 | 0 | 0 | 0 | 104 | | |
| 276 | E | 37.4 | Very low | 35.8 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | 77.6 | 125.8 | 68.5 | -60.8 | -88.1 | 156.2 | 0 | 0 | 111.5 | | |
| 277 | D | 37.6 | Very low | 35.7 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | 62.2 | 139.4 | 177.3 | -98.6 | -41.4 | 0 | 0 | 0 | 118.9 | | |
| 278 | M | 40.9 | Very low | 35.9 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | cis | -130.6 | 153.9 | 8 | -63.1 | -152.2 | 144.4 | 0 | 0 | 114.2 | | |
| 279 | S | 40.5 | Very low | 35.9 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | | | trans | -76.1 | -179.4 | 161 | -148.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 280 | D | 33.6 | Very low | 36.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | cis | -148.3 | 131.5 | 23 | -87 | -60.4 | 0 | 0 | 0 | 113.8 | | |
| 281 | S | 32.1 | Very low | 36.2 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | | 39.3 | 109.1 | 102.1 | -52.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 282 | E | 33.9 | Very low | 36.5 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | | | trans | 51.7 | 137.5 | 131.4 | -9.3 | -161 | 110.9 | 0 | 0 | 125.8 | | |
| 283 | T | 31.2 | Very low | 37.3 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | 79.9 | 139.6 | 145.2 | 66.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 284 | S | 36.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 72 | 164.7 | 152.3 | 84.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 285 | S | 38.4 | Very low | 38.5 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | cis | -172.3 | 129.6 | -39.6 | -91.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 286 | V | 36.4 | Very low | 39.3 | Very low | 154 Ų | 154 | 128 Ų | 128 | 93% | 0.933 | 76% | 0.757 | S | S | * | * | | | trans | -166.2 | 156.5 | 150.4 | -101.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 287 | S | 32.3 | Very low | 40.1 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | -125.5 | 152.9 | -159.7 | -50.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 288 | N | 37.2 | Very low | 41 | Very low | 161 Ų | 161 | 123.8 Ų | 123.8 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | 65.7 | 163.3 | 157.1 | -99.6 | 17.7 | 0 | 0 | 0 | 118.2 | | |
| 289 | S | 38.2 | Very low | 41.9 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | cis | -142.5 | 168 | 16.6 | 67.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 290 | S | 44.8 | Very low | 42.8 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -61 | 176.4 | 156.4 | -47.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 291 | D | 38.7 | Very low | 43.9 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | cis | -141.1 | 163.5 | 12.9 | 174 | 43.6 | 0 | 0 | 0 | 112.3 | G293 | D291-G293 PolarHBondContact OD1-N 3.04Å; D291-G293 VanDerWaalsContact OD1-N 3.14Å |
| 292 | G | 41 | Very low | 45 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -154 | 19.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L294 | G292-L294 PolarHBondContact O-N 3.42Š|
| 293 | G | 54.9 | Low | 46.3 | Very low | 59 Ų | 59 | 126.6 Ų | 126.6 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | | | trans | 55 | 48.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118 | D291 Y295 | D291-G293 PolarHBondContact OD1-N 3.04Å; D291-G293 VanDerWaalsContact OD1-N 3.14Å; G293-Y295 PolarHBondContact O-N 2.73Å |
| 294 | L | 45.8 | Very low | 47.5 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -89.4 | 91.5 | 170.3 | -88.9 | 166 | 0 | 0 | 0 | 111.2 | G292 T296 | G292-L294 PolarHBondContact O-N 3.42Å; L294-T296 PolarHBondContact O-N 2.84Å |
| 295 | Y | 43.5 | Very low | 48.5 | Very low | 187 Ų | 187 | 129.6 Ų | 129.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -58.8 | 93.1 | 173.3 | -177.2 | -104.1 | 0 | 0 | 0 | 111.2 | G293 N297 | G293-Y295 PolarHBondContact O-N 2.73Å; Y295-N297 VanDerWaalsContact C-N 3.34Å; Y295-N297 HydrophobicContact CD1-CB 4.06Å; Y295-N297 HydrophobicContact CE1-CB 3.82Å; Y295-N297 PolarHBondContact O-N 2.95Å |
| 296 | T | 50.4 | Low | 49.5 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | -74.4 | 88.2 | 170.5 | 47.1 | 0 | 0 | 0 | 0 | 109.1 | L294 D298 | L294-T296 PolarHBondContact O-N 2.84Å; T296-D298 VanDerWaalsContact C-N 3.27Å; T296-D298 PolarHBondContact O-N 2.87Å |
| 297 | N | 54.1 | Low | 50.5 | Low | 102 Ų | 102 | 133.1 Ų | 133.1 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | | | trans | -67.8 | 89 | 167.7 | -171.7 | -32.6 | 0 | 0 | 0 | 108.6 | Y295 | Y295-N297 VanDerWaalsContact C-N 3.34Å; Y295-N297 HydrophobicContact CD1-CB 4.06Å; Y295-N297 HydrophobicContact CE1-CB 3.82Å; Y295-N297 PolarHBondContact O-N 2.95Å |
| 298 | D | 56.4 | Low | 51.7 | Low | 116 Ų | 116 | 132 Ų | 132 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | | | trans | -105.6 | 8.9 | -179.1 | -151.9 | 34.6 | 0 | 0 | 0 | 112.3 | T296 G300 R301 | T296-D298 VanDerWaalsContact C-N 3.27Å; T296-D298 PolarHBondContact O-N 2.87Å; D298-G300 PolarHBondContact O-N 3.46Å; D298-R301 IonicContact OD1-NH1 2.78Å |
| 299 | E | 59.6 | Low | 52.7 | Low | 172 Ų | 172 | 131.7 Ų | 131.7 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 23.1 | 169.5 | -61.4 | 179 | 108 | 0 | 0 | 112.2 | | |
| 300 | G | 60.7 | Low | 53.4 | Low | 65 Ų | 65 | 138.4 Ų | 138.4 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 12.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D298 | D298-G300 PolarHBondContact O-N 3.46Š|
| 301 | R | 55.7 | Low | 53.2 | Low | 205 Ų | 205 | 141.1 Ų | 141.1 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | | | trans | -135.3 | 10.2 | -178 | -72.5 | -154.4 | -173.8 | 88.3 | 0.7 | 116.5 | D298 G303 | D298-R301 IonicContact OD1-NH1 2.78Å; R301-G303 PolarHBondContact O-N 2.82Å |
| 302 | Q | 56.4 | Low | 53.6 | Low | 203 Ų | 203 | 139.2 Ų | 139.2 | 95% | 0.949 | 75% | 0.748 | S | S | * | * | | | trans | -89.8 | 86.5 | 162.1 | -73.3 | 178.8 | -14 | 0 | 0 | 107.9 | | |
| 303 | G | 59.3 | Low | 53.8 | Low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -174.2 | 114.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R301 | R301-G303 PolarHBondContact O-N 2.82Š|
| 304 | D | 58.1 | Low | 53.3 | Low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 74.2 | 55 | 167.6 | -153 | 33.8 | 0 | 0 | 0 | 116.2 | | |
| 305 | D | 56.8 | Low | 52.8 | Low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | -122.8 | -12.4 | 149.3 | 80.9 | -14.1 | 0 | 0 | 0 | 115.1 | Q307 | D305-Q307 PolarHBondContact O-N 3.25Š|
| 306 | E | 58.4 | Low | 53.1 | Low | 171 Ų | 171 | 140.6 Ų | 140.6 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | trans | -71.3 | 45 | 172.2 | -58.4 | 177.2 | 145.4 | 0 | 0 | 113.7 | | |
| 307 | Q | 57.8 | Low | 52.9 | Low | 165 Ų | 165 | 137.3 Ų | 137.3 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | | | trans | -121.4 | 36.4 | 177 | -80.5 | -71.3 | -83.2 | 0 | 0 | 111.8 | D305 | D305-Q307 PolarHBondContact O-N 3.25Š|
| 308 | S | 58.9 | Low | 52.3 | Low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | trans | -134.8 | 26.8 | 177 | 66.8 | 0 | 0 | 0 | 0 | 115 | W310 | S308-W310 PolarHBondContact O-N 3.3Š|
| 309 | D | 57.1 | Low | 51.6 | Low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | | | trans | -74.4 | 62.5 | 165 | -71.5 | -21.3 | 0 | 0 | 0 | 110.8 | F311 | D309-F311 PolarHBondContact O-N 2.9Š|
| 310 | W | 53.4 | Low | 50.7 | Low | 247 Ų | 247 | 134.6 Ų | 134.6 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | | | trans | -78.5 | 46 | 163.6 | -94.7 | -40.9 | 0 | 0 | 0 | 110.8 | S308 C312 | S308-W310 PolarHBondContact O-N 3.3Å; W310-C312 PolarHBondContact O-N 3.49Å |
| 311 | F | 39.3 | Very low | 49.8 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -76.5 | 108.3 | 176.3 | -160.3 | -101.3 | 0 | 0 | 0 | 109.2 | D309 D313 | D309-F311 PolarHBondContact O-N 2.9Å; F311-D313 VanDerWaalsContact C-N 3.3Å; F311-D313 HydrophobicContact CD1-CB 3.75Å; F311-D313 HydrophobicContact CE1-CB 3.88Å; F311-D313 PolarHBondContact O-N 3.25Å; F311-D313 VanDerWaalsContact O-N 3.08Å |
| 312 | C | 48.7 | Very low | 49.6 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 88.4 | 164.8 | -65.3 | 0 | 0 | 0 | 0 | 107.5 | W310 G314 | W310-C312 PolarHBondContact O-N 3.49Å; C312-G314 VanDerWaalsContact C-N 3.26Å; C312-G314 PolarHBondContact O-N 2.86Å |
| 313 | D | 44.6 | Very low | 49 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -70.8 | 88.6 | 171.6 | -148.3 | -13.3 | 0 | 0 | 0 | 108.8 | F311 E315 | F311-D313 VanDerWaalsContact C-N 3.3Å; F311-D313 HydrophobicContact CD1-CB 3.75Å; F311-D313 HydrophobicContact CE1-CB 3.88Å; F311-D313 PolarHBondContact O-N 3.25Å; F311-D313 VanDerWaalsContact O-N 3.08Å; D313-E315 VanDerWaalsContact C-N 3.3Å; D313-E315 PolarHBondContact O-N 2.91Å |
| 314 | G | 43.6 | Very low | 48.3 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | -81.2 | 70.5 | -173 | 0 | 0 | 0 | 0 | 0 | 111.9 | C312 P316 | C312-G314 VanDerWaalsContact C-N 3.26Å; C312-G314 PolarHBondContact O-N 2.86Å; G314-P316 WeakPolarHBondContact O-CD 3.41Å |
| 315 | E | 36.3 | Very low | 47.9 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -59.1 | 120 | 169.5 | -172.7 | 176.7 | -159.3 | 0 | 0 | 109.1 | D313 G317 | D313-E315 VanDerWaalsContact C-N 3.3Å; D313-E315 PolarHBondContact O-N 2.91Å; E315-G317 PolarHBondContact O-N 3.16Å |
| 316 | P | 50 | Low | 47.7 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | trans | -81.6 | 58.6 | -172.4 | 33.6 | -35.9 | 0 | 0 | 0 | 111.6 | G314 | G314-P316 WeakPolarHBondContact O-CD 3.41Š|
| 317 | G | 45.6 | Very low | 47.2 | Very low | 55 Ų | 55 | 115.3 Ų | 115.3 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | | | trans | -134.8 | 106 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | E315 | E315-G317 PolarHBondContact O-N 3.16Š|
| 318 | S | 42.3 | Very low | 46.7 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 65.8 | 85.4 | 162.7 | -172.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 319 | G | 40.3 | Very low | 46.1 | Very low | 75 Ų | 75 | 113.5 Ų | 113.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | | 87.6 | 117.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 320 | S | 42.4 | Very low | 46 | Very low | 132 Ų | 132 | 110 Ų | 110 | 92% | 0.923 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 77.8 | 76.9 | 156.7 | -170.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 321 | G | 41.3 | Very low | 45.9 | Very low | 66 Ų | 66 | 102.8 Ų | 102.8 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | | | trans | 126 | 123.2 | 142 | 0 | 0 | 0 | 0 | 0 | 115.8 | G323 | G321-G323 PolarHBondContact O-N 3.29Š|
| 322 | P | 50.8 | Low | 47.2 | Very low | 140 Ų | 140 | 98.9 Ų | 98.9 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | | | trans | -70.6 | 118.6 | 171.5 | 28.9 | -32.5 | 0 | 0 | 0 | 110.4 | G324 | P322-G324 PolarHBondContact O-N 3.29Å; P322-G324 VanDerWaalsContact O-N 3.14Å |
| 323 | G | 43.5 | Very low | 48 | Very low | 76 Ų | 76 | 94.6 Ų | 94.6 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | | | trans | -73.9 | 98.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G321 A325 | G321-G323 PolarHBondContact O-N 3.29Å; G323-A325 PolarHBondContact O-N 3.43Å |
| 324 | G | 45.5 | Very low | 48.8 | Very low | 46 Ų | 46 | 97.8 Ų | 97.8 | 47% | 0.474 | 71% | 0.707 | S | S | . | * | | | trans | -59.7 | 122.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P322 C326 | P322-G324 PolarHBondContact O-N 3.29Å; P322-G324 VanDerWaalsContact O-N 3.14Å; G324-C326 PolarHBondContact O-N 2.77Å |
| 325 | A | 49.2 | Very low | 49.6 | Very low | 105 Ų | 105 | 102.9 Ų | 102.9 | 87% | 0.868 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 51.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G323 | G323-A325 PolarHBondContact O-N 3.43Š|
| 326 | C | 52.2 | Low | 50.5 | Low | 81 Ų | 81 | 99.2 Ų | 99.2 | 55% | 0.547 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.8 | 19.5 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | G324 I328 | G324-C326 PolarHBondContact O-N 2.77Å; C326-I328 PolarHBondContact O-N 3.16Å; C326-I328 VanDerWaalsContact O-N 3.11Å |
| 327 | G | 48.6 | Very low | 50.8 | Low | 82 Ų | 82 | 100.9 Ų | 100.9 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 70.5 | 7.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 328 | I | 47.8 | Very low | 51 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | | | trans | -122.2 | 106 | 174.6 | -59.1 | 178.8 | 0 | 0 | 0 | 108.1 | C326 G330 V331 | C326-I328 PolarHBondContact O-N 3.16Å; C326-I328 VanDerWaalsContact O-N 3.11Å; I328-G330 PolarHBondContact O-N 3.34Å; I328-V331 HydrophobicContact CG2-CB 4.34Å; I328-V331 HydrophobicContact CG2-CG2 3.7Å |
| 329 | A | 45.1 | Very low | 51.3 | Low | 105 Ų | 105 | 104.7 Ų | 104.7 | 87% | 0.868 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 134.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 330 | G | 54.9 | Low | 51.4 | Low | 81 Ų | 81 | 105.6 Ų | 105.6 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.1 | -2.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | I328 V332 | I328-G330 PolarHBondContact O-N 3.34Å; G330-V332 PolarHBondContact O-N 2.9Å |
| 331 | V | 52.7 | Low | 51.4 | Low | 96 Ų | 96 | 103.1 Ų | 103.1 | 58% | 0.582 | 67% | 0.665 | S | S | * | * | | | trans | -97.1 | 87.7 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | I328 P333 | I328-V331 HydrophobicContact CG2-CB 4.34Å; I328-V331 HydrophobicContact CG2-CG2 3.7Å; V331-P333 WeakPolarHBondContact O-CD 3.34Å |
| 332 | V | 65.5 | Low | 51.3 | Low | 78 Ų | 78 | 107.5 Ų | 107.5 | 47% | 0.473 | 67% | 0.668 | S | S | . | * | | | trans | -64.9 | 120.3 | 169.1 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | G330 E336 R337 | G330-V332 PolarHBondContact O-N 2.9Å; V332-E336 HydrophobicContact CG1-CB 4Å; V332-R337 PolarHBondContact O-NH2 3.11Å |
| 333 | P | 66.4 | Low | 51.3 | Low | 21 Ų | 21 | 110.6 Ų | 110.6 | 14% | 0.136 | 67% | 0.67 | C | S | . | * | | | trans | -55.1 | 147 | 175.8 | -23.7 | 33.4 | 0 | 0 | 0 | 112.3 | V331 W335 E336 R337 | V331-P333 WeakPolarHBondContact O-CD 3.34Å; P333-W335 HydrophobicContact CB-CD2 3.68Å; P333-W335 HydrophobicContact CB-CE3 4.15Å; P333-W335 HydrophobicContact CB-CG 4.19Å; P333-W335 HydrophobicContact CB-CH2 4.01Å; P333-W335 HydrophobicContact CB-CZ2 3.52Å; P333-W335 HydrophobicContact CB-CZ3 4.3Å; P333-W335 HydrophobicContact CG-CZ2 3.99Å; P333-W335 PolarHBondContact O-N 2.9Å; P333-W335 VanDerWaalsContact O-N 3.16Å; P333-E336 HydrophobicContact CB-CG 4.42Å; P333-E336 WeakPolarHBondContact CD-OE2 3.39Å; P333-E336 HydrophobicContact CG-CG 4.36Å; P333-E336 PolarHBondContact O-N 3.35Å; P333-R337 PolarHBondContact O-N 3.26Å |
| 334 | W | 60.2 | Low | 51.7 | Low | 203 Ų | 203 | 112.6 Ų | 112.6 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -22 | -176.6 | 65.3 | -83.4 | 0 | 0 | 0 | 113.3 | | |
| 335 | W | 61.3 | Low | 51.9 | Low | 171 Ų | 171 | 116.8 Ų | 116.8 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -17 | 174.3 | 59.8 | 77.8 | 0 | 0 | 0 | 114.7 | P333 | P333-W335 HydrophobicContact CB-CD2 3.68Å; P333-W335 HydrophobicContact CB-CE3 4.15Å; P333-W335 HydrophobicContact CB-CG 4.19Å; P333-W335 HydrophobicContact CB-CH2 4.01Å; P333-W335 HydrophobicContact CB-CZ2 3.52Å; P333-W335 HydrophobicContact CB-CZ3 4.3Å; P333-W335 HydrophobicContact CG-CZ2 3.99Å; P333-W335 PolarHBondContact O-N 2.9Å; P333-W335 VanDerWaalsContact O-N 3.16Å |
| 336 | E | 55.3 | Low | 52 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 45% | 0.449 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -16.9 | 174.2 | -76.9 | 177.8 | -167.5 | 0 | 0 | 112.2 | V332 P333 E338 A339 | V332-E336 HydrophobicContact CG1-CB 4Å; P333-E336 HydrophobicContact CB-CG 4.42Å; P333-E336 WeakPolarHBondContact CD-OE2 3.39Å; P333-E336 HydrophobicContact CG-CG 4.36Å; P333-E336 PolarHBondContact O-N 3.35Å; E336-E338 PolarHBondContact O-N 2.81Å; E336-A339 PolarHBondContact O-N 3.21Å; E336-A339 VanDerWaalsContact O-N 3.14Å |
| 337 | R | 55.8 | Low | 52.2 | Low | 171 Ų | 171 | 119.3 Ų | 119.3 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -19.6 | -174.3 | -164.9 | 166.7 | -61.5 | 175.9 | 5.8 | 114.3 | V332 P333 | V332-R337 PolarHBondContact O-NH2 3.11Å; P333-R337 PolarHBondContact O-N 3.26Å |
| 338 | E | 49.6 | Very low | 52.9 | Low | 171 Ų | 171 | 118.6 Ų | 118.6 | 80% | 0.799 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 0.6 | 179.9 | -63 | 178.6 | -173.9 | 0 | 0 | 112.4 | E336 | E336-E338 PolarHBondContact O-N 2.81Š|
| 339 | A | 49.5 | Very low | 53.7 | Low | 89 Ų | 89 | 117.7 Ų | 117.7 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -97.3 | 0.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E336 | E336-A339 PolarHBondContact O-N 3.21Å; E336-A339 VanDerWaalsContact O-N 3.14Å |
| 340 | A | 42.4 | Very low | 54.6 | Low | 95 Ų | 95 | 117 Ų | 117 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -120.9 | 8.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 341 | S | 41 | Very low | 54.8 | Low | 79 Ų | 79 | 118.5 Ų | 118.5 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -136.4 | 116 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 342 | E | 39.2 | Very low | 55.3 | Low | 158 Ų | 158 | 117 Ų | 117 | 74% | 0.738 | 61% | 0.61 | S | S | * | * | | | trans | 63.1 | 105.8 | 170.5 | -60.9 | 168.8 | -175.9 | 0 | 0 | 112.7 | L344 | E342-L344 HydrophobicContact CB-CB 4.24Å; E342-L344 HydrophobicContact CB-CD1 3.73Å; E342-L344 HydrophobicContact CG-CD1 3.85Å; E342-L344 PolarHBondContact O-N 2.86Å |
| 343 | E | 51.5 | Low | 55.3 | Low | 205 Ų | 205 | 117 Ų | 117 | 96% | 0.958 | 61% | 0.614 | S | S | * | * | | | | 34.9 | 32.2 | 57.7 | -143.2 | -174.2 | 166.9 | 0 | 0 | 115 | | |
| 344 | L | 51.7 | Low | 55.3 | Low | 119 Ų | 119 | 121.6 Ų | 121.6 | 62% | 0.623 | 64% | 0.636 | S | S | * | * | | | trans | -128.6 | 115.3 | 160.6 | -97.9 | 105.5 | 0 | 0 | 0 | 112.1 | E342 L346 | E342-L344 HydrophobicContact CB-CB 4.24Å; E342-L344 HydrophobicContact CB-CD1 3.73Å; E342-L344 HydrophobicContact CG-CD1 3.85Å; E342-L344 PolarHBondContact O-N 2.86Å; L344-L346 PolarHBondContact O-N 2.88Å |
| 345 | D | 49.1 | Very low | 55.6 | Low | 134 Ų | 134 | 116.5 Ų | 116.5 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | | | trans | 53.1 | 58 | 150.3 | -148.7 | 11.9 | 0 | 0 | 0 | 117.7 | A347 | D345-A347 PolarHBondContact O-N 3.47Š|
| 346 | L | 52.3 | Low | 55.5 | Low | 178 Ų | 178 | 112.2 Ų | 112.2 | 93% | 0.932 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 30.3 | 170.9 | -130.3 | 76.9 | 0 | 0 | 0 | 114.1 | L344 | L344-L346 PolarHBondContact O-N 2.88Š|
| 347 | A | 57.3 | Low | 56.1 | Low | 60 Ų | 60 | 109.8 Ų | 109.8 | 50% | 0.496 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.7 | 18.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D345 P349 | D345-A347 PolarHBondContact O-N 3.47Å; A347-P349 WeakPolarHBondContact O-CD 3.45Å |
| 348 | D | 63.3 | Low | 56.6 | Low | 68 Ų | 68 | 104.5 Ų | 104.5 | 36% | 0.364 | 61% | 0.606 | S | S | . | * | | | trans | -44.6 | 114.9 | 178.3 | 170.2 | 25.5 | 0 | 0 | 0 | 111.1 | V350 F351 N352 | D348-V350 PolarHBondContact O-N 2.8Å; D348-V350 WeakPolarHBondContact OD1-CB 3.4Å; D348-V350 PolarHBondContact OD1-N 2.83Å; D348-F351 HydrophobicContact CB-CB 4.03Å; D348-F351 PolarHBondContact O-N 3.4Å; D348-F351 WeakPolarHBondContact OD2-CB 3.23Å; D348-F351 PolarHBondContact OD2-N 2.83Å; D348-N352 WeakPolarHBondContact O-CB 3.18Å; D348-N352 PolarHBondContact O-N 3.17Å; D348-N352 PolarHBondContact O-ND2 3.14Å |
| 349 | P | 64.3 | Low | 57.8 | Low | 93 Ų | 93 | 98.7 Ų | 98.7 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.2 | -20.4 | -178.1 | 28.3 | -35.5 | 0 | 0 | 0 | 112.1 | A347 S353 | A347-P349 WeakPolarHBondContact O-CD 3.45Å; P349-S353 WeakPolarHBondContact O-CB 3.33Å; P349-S353 PolarHBondContact O-N 3.19Å; P349-S353 PolarHBondContact O-OG 3.14Å |
| 350 | V | 63.4 | Low | 58.9 | Low | 90 Ų | 90 | 99 Ų | 99 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.9 | -52 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | D348 N352 S353 I354 | D348-V350 PolarHBondContact O-N 2.8Å; D348-V350 WeakPolarHBondContact OD1-CB 3.4Å; D348-V350 PolarHBondContact OD1-N 2.83Å; V350-N352 VanDerWaalsContact C-N 3.33Å; V350-N352 PolarHBondContact O-N 3.03Å; V350-S353 CarbonylContact O-C 3.43Å; V350-S353 WeakPolarHBondContact O-CA 3.43Å; V350-S353 WeakPolarHBondContact O-CB 3.35Å; V350-S353 PolarHBondContact O-N 3.11Å; V350-I354 HydrophobicContact CG1-CD1 4.16Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.37Å |
| 351 | F | 59.7 | Low | 60.2 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.4 | -44 | 172.6 | -174.9 | -112.1 | 0 | 0 | 0 | 112.1 | D348 S353 I354 L355 | D348-F351 HydrophobicContact CB-CB 4.03Å; D348-F351 PolarHBondContact O-N 3.4Å; D348-F351 WeakPolarHBondContact OD2-CB 3.23Å; D348-F351 PolarHBondContact OD2-N 2.83Å; F351-S353 VanDerWaalsContact C-N 3.32Å; F351-S353 PolarHBondContact O-N 2.74Å; F351-I354 PolarHBondContact O-N 3.14Å; F351-I354 VanDerWaalsContact O-N 3.16Å; F351-L355 HydrophobicContact CD1-CD1 3.98Å; F351-L355 HydrophobicContact CE1-CD1 3.56Å; F351-L355 HydrophobicContact CE1-CG 4.36Å; F351-L355 HydrophobicContact CZ-CD1 3.91Å; F351-L355 HydrophobicContact CZ-CG 4.37Å; F351-L355 WeakPolarHBondContact O-CG 3.28Å; F351-L355 PolarHBondContact O-N 2.97Å |
| 352 | N | 62.6 | Low | 61.7 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 35% | 0.353 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.9 | -34.6 | 173.3 | -79.3 | -74.7 | 0 | 0 | 0 | 112.6 | D348 V350 T356 | D348-N352 WeakPolarHBondContact O-CB 3.18Å; D348-N352 PolarHBondContact O-N 3.17Å; D348-N352 PolarHBondContact O-ND2 3.14Å; V350-N352 VanDerWaalsContact C-N 3.33Å; V350-N352 PolarHBondContact O-N 3.03Å; N352-T356 WeakPolarHBondContact O-CA 3.37Å; N352-T356 WeakPolarHBondContact O-CB 3.41Å; N352-T356 PolarHBondContact O-N 3.21Å; N352-T356 PolarHBondContact O-OG1 3.19Å |
| 353 | S | 65 | Low | 63.6 | Low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.5 | -29 | 172.5 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | P349 V350 F351 G357 | P349-S353 WeakPolarHBondContact O-CB 3.33Å; P349-S353 PolarHBondContact O-N 3.19Å; P349-S353 PolarHBondContact O-OG 3.14Å; V350-S353 CarbonylContact O-C 3.43Å; V350-S353 WeakPolarHBondContact O-CA 3.43Å; V350-S353 WeakPolarHBondContact O-CB 3.35Å; V350-S353 PolarHBondContact O-N 3.11Å; F351-S353 VanDerWaalsContact C-N 3.32Å; F351-S353 PolarHBondContact O-N 2.74Å; S353-G357 WeakPolarHBondContact O-CA 3.2Å; S353-G357 PolarHBondContact O-N 3.49Å |
| 354 | I | 67.6 | Low | 65 | Low | 117 Ų | 117 | 91.5 Ų | 91.5 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.6 | -49.2 | 174 | -70 | 162.7 | 0 | 0 | 0 | 110.1 | V350 F351 | V350-I354 HydrophobicContact CG1-CD1 4.16Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.37Å; F351-I354 PolarHBondContact O-N 3.14Å; F351-I354 VanDerWaalsContact O-N 3.16Å |
| 355 | L | 64.9 | Low | 66.4 | Low | 96 Ų | 96 | 88.7 Ų | 88.7 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -52.4 | 176.4 | -66.7 | 178.2 | 0 | 0 | 0 | 111.2 | F351 S358 | F351-L355 HydrophobicContact CD1-CD1 3.98Å; F351-L355 HydrophobicContact CE1-CD1 3.56Å; F351-L355 HydrophobicContact CE1-CG 4.36Å; F351-L355 HydrophobicContact CZ-CD1 3.91Å; F351-L355 HydrophobicContact CZ-CG 4.37Å; F351-L355 WeakPolarHBondContact O-CG 3.28Å; F351-L355 PolarHBondContact O-N 2.97Å; L355-S358 PolarHBondContact O-OG 3.16Å |
| 356 | T | 60.9 | Low | 68 | Low | 81 Ų | 81 | 84.2 Ų | 84.2 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.1 | -29.4 | -174 | -46.4 | 0 | 0 | 0 | 0 | 112.5 | N352 S358 F359 P360 | N352-T356 WeakPolarHBondContact O-CA 3.37Å; N352-T356 WeakPolarHBondContact O-CB 3.41Å; N352-T356 PolarHBondContact O-N 3.21Å; N352-T356 PolarHBondContact O-OG1 3.19Å; T356-S358 PolarHBondContact O-N 3.06Å; T356-F359 VanDerWaalsContact O-CB 3.32Å; T356-F359 WeakPolarHBondContact O-CB 3.14Å; T356-F359 PolarHBondContact O-N 3.47Å; T356-P360 WeakPolarHBondContact O-CD 3.5Å |
| 357 | G | 67.6 | Low | 69.7 | Low | 44 Ų | 44 | 78 Ų | 78 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.2 | -26.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S353 | S353-G357 WeakPolarHBondContact O-CA 3.2Å; S353-G357 PolarHBondContact O-N 3.49Å |
| 358 | S | 65.8 | Low | 70.9 | Confident | 61 Ų | 61 | 83.2 Ų | 83.2 | 43% | 0.427 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -26.4 | 170.3 | 75.6 | 0 | 0 | 0 | 0 | 113.5 | L355 T356 L361 L362 | L355-S358 PolarHBondContact O-OG 3.16Å; T356-S358 PolarHBondContact O-N 3.06Å; S358-L361 WeakPolarHBondContact O-CB 3.08Å; S358-L361 PolarHBondContact O-N 2.64Å; S358-L361 VanDerWaalsContact O-N 3.11Å; S358-L362 PolarHBondContact O-N 2.97Å |
| 359 | F | 74.4 | Confident | 72.1 | Confident | 49 Ų | 49 | 81.3 Ų | 81.3 | 22% | 0.215 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -69.3 | -42.8 | -167.6 | -172 | -97.1 | 0 | 0 | 0 | 114.1 | T356 L361 L362 Q367 F370 Q371 | T356-F359 VanDerWaalsContact O-CB 3.32Å; T356-F359 WeakPolarHBondContact O-CB 3.14Å; T356-F359 PolarHBondContact O-N 3.47Å; F359-L361 PolarHBondContact O-N 2.84Å; F359-L362 HydrophobicContact CD2-CD1 3.98Å; F359-L362 WeakPolarHBondContact O-CB 3.45Å; F359-L362 PolarHBondContact O-N 3.45Å; F359-Q367 HydrophobicContact CE1-CB 4.35Å; F359-Q367 HydrophobicContact CE1-CG 4.08Å; F359-Q367 HydrophobicContact CE2-CB 4.13Å; F359-Q367 HydrophobicContact CE2-CG 4.07Å; F359-Q367 HydrophobicContact CZ-CB 3.74Å; F359-Q367 HydrophobicContact CZ-CG 3.83Å; F359-Q367 PolarHBondContact O-NE2 3.28Å; F359-F370 HydrophobicContact CD2-CD1 4.13Å; F359-F370 HydrophobicContact CD2-CE1 4.45Å; F359-F370 HydrophobicContact CE2-CB 4.19Å; F359-F370 AromaticContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CE1 4.17Å; F359-F370 HydrophobicContact CE2-CG 4.11Å; F359-F370 HydrophobicContact CZ-CD1 4.35Å; F359-Q371 HydrophobicContact CZ-CG 4.47Å |
| 360 | P | 72.5 | Confident | 73.1 | Confident | 94 Ų | 94 | 80.9 Ų | 80.9 | 61% | 0.61 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -60.4 | -24.6 | 169.8 | -25.7 | 35.1 | 0 | 0 | 0 | 114.3 | T356 | T356-P360 WeakPolarHBondContact O-CD 3.5Š|
| 361 | L | 69.9 | Low | 74.1 | Confident | 153 Ų | 153 | 81.9 Ų | 81.9 | 80% | 0.801 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -86.2 | -14.2 | -179.9 | -52.7 | 178 | 0 | 0 | 0 | 112.7 | S358 F359 | S358-L361 WeakPolarHBondContact O-CB 3.08Å; S358-L361 PolarHBondContact O-N 2.64Å; S358-L361 VanDerWaalsContact O-N 3.11Å; F359-L361 PolarHBondContact O-N 2.84Å |
| 362 | L | 73 | Confident | 75.1 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -70.1 | 144.5 | 171.8 | -66.6 | -179.5 | 0 | 0 | 0 | 111 | S358 F359 A366 Q367 | S358-L362 PolarHBondContact O-N 2.97Å; F359-L362 HydrophobicContact CD2-CD1 3.98Å; F359-L362 WeakPolarHBondContact O-CB 3.45Å; F359-L362 PolarHBondContact O-N 3.45Å; L362-A366 HydrophobicContact CB-CB 4.12Å; L362-Q367 HydrophobicContact CB-CG 3.9Å; L362-Q367 PolarHBondContact O-NE2 2.85Å; L362-Q367 VanDerWaalsContact O-NE2 3.14Å |
| 363 | S | 78.8 | Confident | 76.1 | Confident | 69 Ų | 69 | 83.2 Ų | 83.2 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | | | trans | -61.2 | 152.5 | 176.7 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | A365 A366 Q367 | S363-A365 PolarHBondContact O-N 3.3Å; S363-A366 WeakPolarHBondContact O-CA 3.2Å; S363-A366 PolarHBondContact O-N 2.88Å; S363-A366 PolarHBondContact OG-N 3.17Å; S363-Q367 PolarHBondContact O-N 2.98Å |
| 364 | P | 80.6 | Confident | 76.7 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.6 | -14.8 | 177.5 | -27 | 35.8 | 0 | 0 | 0 | 114.8 | R368 | P364-R368 WeakPolarHBondContact O-CG 3.38Å; P364-R368 PolarHBondContact O-NE 2.86Å |
| 365 | A | 81.7 | Confident | 77 | Confident | 61 Ų | 61 | 81 Ų | 81 | 50% | 0.504 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -80.3 | -43.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S363 G369 | S363-A365 PolarHBondContact O-N 3.3Å; A365-G369 PolarHBondContact O-N 3.05Å |
| 366 | A | 82.5 | Confident | 77.5 | Confident | 39 Ų | 39 | 85.8 Ų | 85.8 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L362 S363 G369 F370 | L362-A366 HydrophobicContact CB-CB 4.12Å; S363-A366 WeakPolarHBondContact O-CA 3.2Å; S363-A366 PolarHBondContact O-N 2.88Å; S363-A366 PolarHBondContact OG-N 3.17Å; A366-G369 PolarHBondContact O-N 2.71Å; A366-F370 WeakPolarHBondContact O-CB 3.45Å; A366-F370 PolarHBondContact O-N 2.88Å |
| 367 | Q | 87.1 | Confident | 78 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 22% | 0.224 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 174.6 | -69.4 | 173.6 | -15.1 | 0 | 0 | 111.9 | F359 L362 S363 G369 F370 Q371 | F359-Q367 HydrophobicContact CE1-CB 4.35Å; F359-Q367 HydrophobicContact CE1-CG 4.08Å; F359-Q367 HydrophobicContact CE2-CB 4.13Å; F359-Q367 HydrophobicContact CE2-CG 4.07Å; F359-Q367 HydrophobicContact CZ-CB 3.74Å; F359-Q367 HydrophobicContact CZ-CG 3.83Å; F359-Q367 PolarHBondContact O-NE2 3.28Å; L362-Q367 HydrophobicContact CB-CG 3.9Å; L362-Q367 PolarHBondContact O-NE2 2.85Å; L362-Q367 VanDerWaalsContact O-NE2 3.14Å; S363-Q367 PolarHBondContact O-N 2.98Å; Q367-G369 VanDerWaalsContact C-N 3.35Å; Q367-G369 PolarHBondContact O-N 3.23Å; Q367-F370 PolarHBondContact O-N 2.8Å; Q367-Q371 PolarHBondContact O-N 2.88Å |
| 368 | R | 84.4 | Confident | 78 | Confident | 170 Ų | 170 | 91.5 Ų | 91.5 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.4 | -40.3 | 175.4 | -74.7 | -178.1 | -67.4 | 150.5 | -0.7 | 112.1 | P364 F370 Q371 A372 | P364-R368 WeakPolarHBondContact O-CG 3.38Å; P364-R368 PolarHBondContact O-NE 2.86Å; R368-F370 VanDerWaalsContact C-N 3.29Å; R368-F370 PolarHBondContact O-N 2.76Å; R368-Q371 PolarHBondContact O-N 3.28Å; R368-A372 VanDerWaalsContact O-CB 3.25Å; R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 2.93Å |
| 369 | G | 88.4 | Confident | 77.4 | Confident | 27 Ų | 27 | 91.4 Ų | 91.4 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -32.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A365 A366 Q367 R373 | A365-G369 PolarHBondContact O-N 3.05Å; A366-G369 PolarHBondContact O-N 2.71Å; Q367-G369 VanDerWaalsContact C-N 3.35Å; Q367-G369 PolarHBondContact O-N 3.23Å; G369-R373 WeakPolarHBondContact O-CG 3.5Å; G369-R373 PolarHBondContact O-N 3.31Å; G369-R373 PolarHBondContact O-NE 3.02Å |
| 370 | F | 84.5 | Confident | 76.5 | Confident | 85 Ų | 85 | 95.7 Ų | 95.7 | 37% | 0.373 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73 | -50.1 | 173.5 | 178.2 | -98.1 | 0 | 0 | 0 | 111.9 | F359 A366 Q367 R368 A372 R373 L374 | F359-F370 HydrophobicContact CD2-CD1 4.13Å; F359-F370 HydrophobicContact CD2-CE1 4.45Å; F359-F370 HydrophobicContact CE2-CB 4.19Å; F359-F370 AromaticContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CE1 4.17Å; F359-F370 HydrophobicContact CE2-CG 4.11Å; F359-F370 HydrophobicContact CZ-CD1 4.35Å; A366-F370 WeakPolarHBondContact O-CB 3.45Å; A366-F370 PolarHBondContact O-N 2.88Å; Q367-F370 PolarHBondContact O-N 2.8Å; R368-F370 VanDerWaalsContact C-N 3.29Å; R368-F370 PolarHBondContact O-N 2.76Å; F370-A372 VanDerWaalsContact C-N 3.32Å; F370-A372 PolarHBondContact O-N 2.85Å; F370-R373 WeakPolarHBondContact O-CB 3.36Å; F370-R373 PolarHBondContact O-N 2.96Å; F370-L374 HydrophobicContact CD1-CD1 4.01Å; F370-L374 HydrophobicContact CD1-CG 4.45Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.88Å; F370-L374 HydrophobicContact CZ-CD2 4.42Å; F370-L374 HydrophobicContact CZ-CG 4.25Å; F370-L374 PolarHBondContact O-N 3.32Å |
| 371 | Q | 83.9 | Confident | 75.2 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 175.9 | -72.3 | -178 | -11.2 | 0 | 0 | 111.8 | F359 Q367 R368 R373 L374 S375 | F359-Q371 HydrophobicContact CZ-CG 4.47Å; Q367-Q371 PolarHBondContact O-N 2.88Å; R368-Q371 PolarHBondContact O-N 3.28Å; Q371-R373 PolarHBondContact O-N 2.94Å; Q371-R373 VanDerWaalsContact O-N 3.16Å; Q371-L374 PolarHBondContact O-N 3.06Å; Q371-L374 VanDerWaalsContact O-N 3.08Å; Q371-S375 PolarHBondContact O-N 3.19Å; Q371-S375 PolarHBondContact O-OG 2.88Å; Q371-S375 VanDerWaalsContact O-OG 3.12Å |
| 372 | A | 80.4 | Confident | 74.4 | Confident | 48 Ų | 48 | 100.7 Ų | 100.7 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -18.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R368 F370 R376 | R368-A372 VanDerWaalsContact O-CB 3.25Å; R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 2.93Å; F370-A372 VanDerWaalsContact C-N 3.32Å; F370-A372 PolarHBondContact O-N 2.85Å; A372-R376 VanDerWaalsContact O-CD 3.27Å; A372-R376 WeakPolarHBondContact O-CD 3.33Å; A372-R376 VanDerWaalsContact O-CG 3.28Å; A372-R376 WeakPolarHBondContact O-CG 3.43Å; A372-R376 PolarHBondContact O-NE 2.81Å |
| 373 | R | 84.3 | Confident | 72.6 | Confident | 158 Ų | 158 | 100.8 Ų | 100.8 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -83.2 | -42.6 | 169.4 | -71.9 | -178.8 | -60.6 | -112.1 | 4.6 | 111.5 | G369 F370 Q371 S375 R376 L377 | G369-R373 WeakPolarHBondContact O-CG 3.5Å; G369-R373 PolarHBondContact O-N 3.31Å; G369-R373 PolarHBondContact O-NE 3.02Å; F370-R373 WeakPolarHBondContact O-CB 3.36Å; F370-R373 PolarHBondContact O-N 2.96Å; Q371-R373 PolarHBondContact O-N 2.94Å; Q371-R373 VanDerWaalsContact O-N 3.16Å; R373-S375 PolarHBondContact O-N 2.9Å; R373-R376 PolarHBondContact O-N 3.44Å; R373-L377 PolarHBondContact O-N 2.99Å |
| 374 | L | 77.8 | Confident | 70.6 | Confident | 68 Ų | 68 | 103.4 Ų | 103.4 | 36% | 0.356 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.6 | -43.2 | 174.5 | -68.1 | -177.6 | 0 | 0 | 0 | 112.2 | F370 Q371 R376 L377 H378 | F370-L374 HydrophobicContact CD1-CD1 4.01Å; F370-L374 HydrophobicContact CD1-CG 4.45Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.88Å; F370-L374 HydrophobicContact CZ-CD2 4.42Å; F370-L374 HydrophobicContact CZ-CG 4.25Å; F370-L374 PolarHBondContact O-N 3.32Å; Q371-L374 PolarHBondContact O-N 3.06Å; Q371-L374 VanDerWaalsContact O-N 3.08Å; L374-R376 PolarHBondContact O-N 3.37Å; L374-L377 WeakPolarHBondContact O-CB 2.99Å; L374-L377 PolarHBondContact O-N 3.42Å; L374-L377 VanDerWaalsContact O-N 3.12Å; L374-H378 PolarHBondContact O-CD2 3.08Å; L374-H378 PolarHBondContact O-N 3.48Å |
| 375 | S | 73.7 | Confident | 68.5 | Low | 82 Ų | 82 | 108.7 Ų | 108.7 | 57% | 0.573 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.1 | -33 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | Q371 R373 G379 | Q371-S375 PolarHBondContact O-N 3.19Å; Q371-S375 PolarHBondContact O-OG 2.88Å; Q371-S375 VanDerWaalsContact O-OG 3.12Å; R373-S375 PolarHBondContact O-N 2.9Å; S375-G379 PolarHBondContact O-N 3.16Å |
| 376 | R | 76 | Confident | 66.3 | Low | 195 Ų | 195 | 109.9 Ų | 109.9 | 74% | 0.736 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.9 | -37.3 | 175.2 | -70.9 | 169.3 | -175 | -85.9 | -1.6 | 112.1 | A372 R373 L374 N380 | A372-R376 VanDerWaalsContact O-CD 3.27Å; A372-R376 WeakPolarHBondContact O-CD 3.33Å; A372-R376 VanDerWaalsContact O-CG 3.28Å; A372-R376 WeakPolarHBondContact O-CG 3.43Å; A372-R376 PolarHBondContact O-NE 2.81Å; R373-R376 PolarHBondContact O-N 3.44Å; L374-R376 PolarHBondContact O-N 3.37Å; R376-N380 PolarHBondContact O-N 3.47Å |
| 377 | L | 71.5 | Confident | 63.8 | Low | 116 Ų | 116 | 111.7 Ų | 111.7 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -46.7 | 174.9 | -174.7 | 64.2 | 0 | 0 | 0 | 111.1 | R373 L374 N380 | R373-L377 PolarHBondContact O-N 2.99Å; L374-L377 WeakPolarHBondContact O-CB 2.99Å; L374-L377 PolarHBondContact O-N 3.42Å; L374-L377 VanDerWaalsContact O-N 3.12Å; L377-N380 PolarHBondContact O-N 2.89Å |
| 378 | H | 66.2 | Low | 61.4 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 60% | 0.602 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.8 | -31.4 | -179.6 | -64.7 | -167.1 | 0 | 0 | 0 | 112.4 | L374 N380 Q381 | L374-H378 PolarHBondContact O-CD2 3.08Å; L374-H378 PolarHBondContact O-N 3.48Å; H378-N380 PolarHBondContact O-N 3.12Å; H378-Q381 PolarHBondContact O-N 3.48Å |
| 379 | G | 53.9 | Low | 59.8 | Low | 58 Ų | 58 | 115.6 Ų | 115.6 | 60% | 0.598 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -12.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | S375 | S375-G379 PolarHBondContact O-N 3.16Š|
| 380 | N | 54.5 | Low | 56.8 | Low | 139 Ų | 139 | 118 Ų | 118 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 6.2 | -178.7 | -135.9 | 75.2 | 0 | 0 | 0 | 113.6 | R376 L377 H378 | R376-N380 PolarHBondContact O-N 3.47Å; L377-N380 PolarHBondContact O-N 2.89Å; H378-N380 PolarHBondContact O-N 3.12Å |
| 381 | Q | 46.4 | Very low | 54.3 | Low | 168 Ų | 168 | 119.4 Ų | 119.4 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -103.9 | 16.2 | -178.6 | -71.1 | -77.1 | 100.5 | 0 | 0 | 113.4 | H378 | H378-Q381 PolarHBondContact O-N 3.48Š|
| 382 | Q | 51.9 | Low | 51.8 | Low | 185 Ų | 185 | 119.6 Ų | 119.6 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | | | trans | -125.2 | 108.4 | 177 | -68.3 | -171.8 | 2.6 | 0 | 0 | 110.8 | | |
| 383 | G | 37.3 | Very low | 49.4 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | | | trans | 129.3 | 105.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 384 | S | 36.6 | Very low | 47.1 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | cis | -149.2 | 140.3 | 19.4 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 385 | E | 34.8 | Very low | 44.8 | Very low | 201 Ų | 201 | 123.7 Ų | 123.7 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | | | trans | -148.3 | 143.9 | 138.7 | -86.2 | -120.2 | 158.7 | 0 | 0 | 107.2 | | |
| 386 | G | 37 | Very low | 42.6 | Very low | 86 Ų | 86 | 128 Ų | 128 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -118.7 | 109.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 387 | G | 29.8 | Very low | 40.5 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -152.4 | 123.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 388 | L | 36.6 | Very low | 38.7 | Very low | 172 Ų | 172 | 124.6 Ų | 124.6 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | -107.8 | 173.1 | 178.2 | -63.7 | 174.6 | 0 | 0 | 0 | 110 | | |
| 389 | P | 49.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | cis | -128.5 | 173.5 | -21.9 | 27.9 | -7.7 | 0 | 0 | 0 | 113.4 | | |
| 390 | G | 26.9 | Very low | 36.1 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | -176.4 | 142.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 391 | S | 31.1 | Very low | 34.9 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 29.4 | 111.3 | 169.2 | -71.9 | 0 | 0 | 0 | 0 | 120 | | |
| 392 | S | 31.5 | Very low | 34.2 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | | 70.8 | 114.6 | 62.3 | 79.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 393 | G | 30.2 | Very low | 33.1 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | 154.1 | 74.9 | 159 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 394 | Q | 35.7 | Very low | 33.4 | Very low | 210 Ų | 210 | 132.7 Ų | 132.7 | 98% | 0.981 | 81% | 0.805 | S | S | * | * | | | trans | 61.5 | 155.2 | 151.1 | -60.8 | 178.5 | -13.4 | 0 | 0 | 119 | | |
| 395 | G | 30.3 | Very low | 33.1 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | cis | -148.8 | 170.4 | 2.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 396 | F | 27.8 | Very low | 32.9 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | | | trans | -125.9 | 144.3 | -171.1 | 146.8 | -81.5 | 0 | 0 | 0 | 111.4 | E398 | F396-E398 HydrophobicContact CE2-CB 3.97Å; F396-E398 HydrophobicContact CZ-CB 4.09Å; F396-E398 WeakPolarHBondContact CZ-OE2 3.46Å |
| 397 | S | 31.5 | Very low | 33.3 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | 149.6 | 110.7 | 157.1 | 175.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 398 | E | 33.3 | Very low | 33.4 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | cis | 74.5 | 104.1 | 43.7 | -164.9 | -176.1 | -118.9 | 0 | 0 | 113.9 | F396 | F396-E398 HydrophobicContact CE2-CB 3.97Å; F396-E398 HydrophobicContact CZ-CB 4.09Å; F396-E398 WeakPolarHBondContact CZ-OE2 3.46Å |
| 399 | R | 33 | Very low | 33.1 | Very low | 235 Ų | 235 | 139.7 Ų | 139.7 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | trans | -144.3 | 92.9 | 155 | -74.2 | -161.2 | 179.5 | -149.5 | -2.2 | 112 | | |
| 400 | L | 32.1 | Very low | 32.1 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 51.9 | 112 | 133.2 | -67.5 | 159.1 | 0 | 0 | 0 | 120.3 | | |
| 401 | S | 29.1 | Very low | 32.1 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | | 66.1 | 110.7 | 127 | -51.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 402 | Q | 31.9 | Very low | 31.9 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | | | | -159.1 | 147.1 | 83.4 | -98.1 | 176.4 | -14.2 | 0 | 0 | 111.9 | | |
| 403 | D | 28 | Very low | 31.9 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | trans | -141.8 | 170.8 | -177.1 | -155.3 | 39.7 | 0 | 0 | 0 | 105.5 | | |
| 404 | P | 44.5 | Very low | 31.8 | Very low | 82 Ų | 82 | 146.9 Ų | 146.9 | 53% | 0.532 | 76% | 0.757 | S | S | . | * | | | cis | -134.5 | 172.6 | 5.5 | 41.3 | -23.8 | 0 | 0 | 0 | 116.5 | | |
| 405 | H | 30.1 | Very low | 31.8 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | | | | 170.9 | 92.5 | 119 | -91.7 | -61.8 | 0 | 0 | 0 | 115 | | |
| 406 | E | 31.6 | Very low | 31.8 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | | | trans | -92.8 | -170 | 146.1 | -80.5 | -76 | 167.9 | 0 | 0 | 107.9 | | |
| 407 | P | 44.7 | Very low | 32.1 | Very low | 96 Ų | 96 | 151.1 Ų | 151.1 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | | | cis | -143 | 164.5 | 4.5 | 37.1 | -15.1 | 0 | 0 | 0 | 119.8 | | |
| 408 | W | 31.5 | Very low | 32.1 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 36.4 | 159.8 | 139.1 | -73.6 | -59.4 | 0 | 0 | 0 | 127.3 | | |
| 409 | F | 31.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | 89.5 | 161 | 153.7 | -55.3 | -74.2 | 0 | 0 | 0 | 120 | | |
| 410 | N | 27.3 | Very low | 32 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | | | | -164.5 | 162.3 | -56.6 | -149.7 | -0 | 0 | 0 | 0 | 111.1 | | |
| 411 | T | 28.9 | Very low | 31.7 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | 24.8 | 127.4 | 153.9 | 50.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 412 | S | 25.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 155.4 Ų | 155.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | | 160.2 | 155.1 | 117.7 | -77.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 413 | S | 30.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | 64.4 | 131.4 | 153.7 | -150.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 414 | R | 29.7 | Very low | 32.9 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | | | cis | 88.2 | 86.5 | 15.1 | -157.8 | -145.2 | -169.9 | -141.5 | 1.8 | 118.3 | | |
| 415 | R | 35.2 | Very low | 32.3 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | | | | 172.1 | 154.7 | 125.5 | -101.7 | 166 | -77.8 | -167 | -1.7 | 115.2 | | |
| 416 | D | 28.9 | Very low | 32.7 | Very low | 147 Ų | 147 | 154 Ų | 154 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -58.1 | 156 | 166.2 | -53.5 | -111.9 | 0 | 0 | 0 | 114.4 | | |
| 417 | H | 35 | Very low | 32.6 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | -153.6 | 122.6 | 132.2 | -116.8 | -79.9 | 0 | 0 | 0 | 110.2 | | |
| 418 | G | 32.5 | Very low | 32.2 | Very low | 71 Ų | 71 | 158.4 Ų | 158.4 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | | | trans | -101.3 | 162.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 419 | Q | 32.3 | Very low | 32.4 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | | | trans | -144.5 | 161 | 162.7 | -126.8 | -177.9 | 41.1 | 0 | 0 | 111.1 | | |
| 420 | L | 31 | Very low | 32.8 | Very low | 165 Ų | 165 | 152.2 Ų | 152.2 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -124.3 | 146 | -158.8 | -58.7 | 161.2 | 0 | 0 | 0 | 111.5 | | |
| 421 | H | 25.2 | Very low | 33.6 | Very low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | -154.7 | 150.3 | 153 | -153.4 | -88.3 | 0 | 0 | 0 | 114.5 | | |
| 422 | W | 26.8 | Very low | 34.2 | Very low | 206 Ų | 206 | 160.3 Ų | 160.3 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -71.8 | 174.1 | -173.9 | -44 | 87.5 | 0 | 0 | 0 | 114.4 | | |
| 423 | D | 32.2 | Very low | 34.6 | Very low | 125 Ų | 125 | 160 Ų | 160 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | | | cis | -159.2 | 172.1 | 17.2 | -153.9 | 43.6 | 0 | 0 | 0 | 111.5 | | |
| 424 | P | 55 | Low | 34.7 | Very low | 95 Ų | 95 | 160.8 Ų | 160.8 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | | | trans | -112.2 | -158.9 | -171.2 | 43.1 | -35.1 | 0 | 0 | 0 | 116.4 | | |
| 425 | R | 33.6 | Very low | 34.9 | Very low | 223 Ų | 223 | 156.6 Ų | 156.6 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | 98.5 | 142.3 | -176.3 | -52.8 | 149.7 | -171.1 | -94.2 | 1.1 | 111.7 | | |
| 426 | T | 37.6 | Very low | 35.2 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | cis | -153.2 | -172.3 | 29.3 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 427 | D | 29.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | | | cis | -170 | 158.2 | -40.6 | 178.1 | 24.7 | 0 | 0 | 0 | 107.9 | | |
| 428 | R | 36.1 | Very low | 36.3 | Very low | 227 Ų | 227 | 151.5 Ų | 151.5 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | 65.1 | 154.2 | 177.4 | -62.4 | 144.9 | -145.8 | -161 | 6 | 115.5 | | |
| 429 | G | 34.9 | Very low | 36.5 | Very low | 75 Ų | 75 | 152.9 Ų | 152.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | cis | 148.5 | 155.1 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 430 | H | 39.9 | Very low | 36.7 | Very low | 180 Ų | 180 | 149 Ų | 149 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | cis | -156.9 | -178.1 | 4.3 | 175.7 | 53.2 | 0 | 0 | 0 | 109.8 | R432 | H430-R432 PolarHBondContact CD2-NH2 3.43Š|
| 431 | R | 43.4 | Very low | 37.4 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | trans | -106.6 | 157.2 | -167.5 | -53.3 | -179.1 | -176.3 | -83 | 5.2 | 115.5 | | |
| 432 | R | 43.4 | Very low | 38.3 | Very low | 210 Ų | 210 | 153.6 Ų | 153.6 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | 168.4 | 147.3 | 131.8 | -92 | 160.3 | -87.3 | -162.3 | -1.9 | 109.1 | H430 | H430-R432 PolarHBondContact CD2-NH2 3.43Š|
| 433 | S | 34 | Very low | 39.2 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | cis | 119.6 | 111.7 | 7.3 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 434 | C | 31.8 | Very low | 39.8 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | -19.1 | 150.3 | 169.5 | 56.5 | 0 | 0 | 0 | 0 | 123.9 | | |
| 435 | S | 34.9 | Very low | 39.2 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | -179.2 | 119.5 | 134.6 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 436 | V | 40.1 | Very low | 39.7 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | | | | 95.6 | 144.3 | 62.7 | -168.5 | 0 | 0 | 0 | 0 | 114 | | |
| 437 | K | 42.5 | Very low | 40.3 | Very low | 185 Ų | 185 | 149 Ų | 149 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 86.4 | 157.2 | 171.7 | -53.7 | -168.5 | -179.4 | 176.2 | 0 | 118.1 | | |
| 438 | T | 44.7 | Very low | 41.1 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | | 158.1 | 115 | -52.6 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 439 | A | 38.2 | Very low | 41.6 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -161.1 | 137.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 440 | S | 36.6 | Very low | 42.4 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | cis | 83.5 | 96.1 | 26.1 | -160.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 441 | R | 45.3 | Very low | 42.8 | Very low | 247 Ų | 247 | 141.6 Ų | 141.6 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -158.7 | 141.5 | 150.3 | -106.2 | 176 | -172.2 | -83.6 | -1.8 | 108.9 | | |
| 442 | Q | 44.5 | Very low | 43.2 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -112.8 | 148.8 | 173.2 | -67.8 | -177.9 | -10.9 | 0 | 0 | 109.9 | | |
| 443 | T | 45.6 | Very low | 43.3 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -140.7 | 138.8 | 156.3 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 444 | S | 43.9 | Very low | 44.1 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -24.9 | 138.8 | 172.1 | 49.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 445 | G | 42.9 | Very low | 44.9 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | | | trans | -169.3 | 53 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L447 | G445-L447 PolarHBondContact O-N 2.92Š|
| 446 | H | 43.9 | Very low | 45.6 | Very low | 182 Ų | 182 | 138 Ų | 138 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -74.8 | 115 | -177.7 | 174.8 | 89.9 | 0 | 0 | 0 | 111.9 | | |
| 447 | L | 49.5 | Very low | 46 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -138.7 | 110.4 | 171.6 | -71.9 | 176.7 | 0 | 0 | 0 | 112 | G445 | G445-L447 PolarHBondContact O-N 2.92Š|
| 448 | G | 46.1 | Very low | 46.3 | Very low | 59 Ų | 59 | 145.5 Ų | 145.5 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | | | trans | 59.9 | 64.7 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | L450 | G448-L450 PolarHBondContact O-N 3.12Š|
| 449 | S | 48.4 | Very low | 46.8 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -74.6 | 72.5 | 160.3 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | C451 | S449-C451 PolarHBondContact O-N 3.27Š|
| 450 | L | 49.8 | Very low | 47.4 | Very low | 150 Ų | 150 | 155.4 Ų | 155.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -79 | 105.3 | 172.6 | -75.4 | 176.2 | 0 | 0 | 0 | 110.6 | G448 T452 | G448-L450 PolarHBondContact O-N 3.12Å; L450-T452 PolarHBondContact O-N 3.31Å |
| 451 | C | 48.8 | Very low | 48.2 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -75.1 | 63.7 | -178.7 | -58 | 0 | 0 | 0 | 0 | 113.1 | S449 G453 | S449-C451 PolarHBondContact O-N 3.27Å; C451-G453 PolarHBondContact O-N 3.14Å |
| 452 | T | 52.6 | Low | 48.2 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -78.7 | 103.7 | 165 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | L450 | L450-T452 PolarHBondContact O-N 3.31Š|
| 453 | G | 46.2 | Very low | 48.4 | Very low | 56 Ų | 56 | 142.6 Ų | 142.6 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | | | trans | -70.8 | -175.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | C451 I455 | C451-G453 PolarHBondContact O-N 3.14Å; G453-I455 VanDerWaalsContact O-CD1 3.26Å; G453-I455 WeakPolarHBondContact O-CD1 3.32Å; G453-I455 PolarHBondContact O-N 2.86Å |
| 454 | D | 49.8 | Very low | 48.8 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -64 | 83.7 | -178.9 | -79.5 | -84.2 | 0 | 0 | 0 | 114 | K456 | D454-K456 PolarHBondContact O-N 3.24Š|
| 455 | I | 49.2 | Very low | 48.9 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -65.7 | 83.3 | 149.2 | -60.3 | 76.4 | 0 | 0 | 0 | 106.8 | G453 R457 | G453-I455 VanDerWaalsContact O-CD1 3.26Å; G453-I455 WeakPolarHBondContact O-CD1 3.32Å; G453-I455 PolarHBondContact O-N 2.86Å; I455-R457 PolarHBondContact O-N 3.33Å |
| 456 | K | 49 | Very low | 49.1 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -42.2 | 120.2 | 159.7 | -87.1 | 173.1 | 175.3 | 165.6 | 0 | 106.7 | D454 R458 | D454-K456 PolarHBondContact O-N 3.24Å; K456-R458 PolarHBondContact O-N 3.06Å |
| 457 | R | 48.7 | Very low | 49.5 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | -63.2 | 82.5 | 177.9 | -69 | -175.7 | -64.1 | -86.1 | -2.6 | 109.6 | I455 R459 | I455-R457 PolarHBondContact O-N 3.33Å; R457-R459 VanDerWaalsContact C-N 3.34Å; R457-R459 PolarHBondContact O-N 3.36Å |
| 458 | R | 47.8 | Very low | 49.8 | Very low | 232 Ų | 232 | 136.4 Ų | 136.4 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | | | trans | -55.4 | 103.6 | 167 | -177.3 | 178.5 | -171.2 | -116.5 | 2.5 | 104.8 | K456 K460 | K456-R458 PolarHBondContact O-N 3.06Å; R458-K460 PolarHBondContact O-N 2.84Å |
| 459 | R | 56.1 | Low | 50.3 | Low | 237 Ų | 237 | 138.6 Ų | 138.6 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | | | trans | -52.2 | 109.4 | 177.8 | -77.5 | 179.8 | -77 | 153.8 | -3.1 | 106 | R457 A461 | R457-R459 VanDerWaalsContact C-N 3.34Å; R457-R459 PolarHBondContact O-N 3.36Å; R459-A461 VanDerWaalsContact C-N 3.33Å; R459-A461 PolarHBondContact O-N 2.75Å |
| 460 | K | 50.8 | Low | 51 | Low | 203 Ų | 203 | 136 Ų | 136 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | -60.6 | 105.1 | 173.6 | -172.7 | 169.4 | -179.6 | 176.9 | 0 | 104.1 | R458 A462 | R458-K460 PolarHBondContact O-N 2.84Å; K460-A462 PolarHBondContact O-N 3.18Å |
| 461 | A | 53.6 | Low | 52 | Low | 85 Ų | 85 | 130.4 Ų | 130.4 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 141.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107 | R459 | R459-A461 VanDerWaalsContact C-N 3.33Å; R459-A461 PolarHBondContact O-N 2.75Å |
| 462 | A | 45.5 | Very low | 53.5 | Low | 82 Ų | 82 | 126.5 Ų | 126.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 143.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | K460 L464 | K460-A462 PolarHBondContact O-N 3.18Å; A462-L464 PolarHBondContact O-N 3.11Å |
| 463 | P | 48.9 | Very low | 54.8 | Low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 137.4 | 169.4 | -24.9 | 34.1 | 0 | 0 | 0 | 108.7 | G465 | P463-G465 PolarHBondContact O-N 3.2Š|
| 464 | L | 54.1 | Low | 56.3 | Low | 177 Ų | 177 | 124.2 Ų | 124.2 | 93% | 0.927 | 70% | 0.695 | S | S | * | * | | | trans | -64.9 | 89 | 166.8 | -72.4 | 169.8 | 0 | 0 | 0 | 106.1 | A462 T466 | A462-L464 PolarHBondContact O-N 3.11Å; L464-T466 PolarHBondContact O-N 3.12Å |
| 465 | G | 45.3 | Very low | 57.7 | Low | 62 Ų | 62 | 122.7 Ų | 122.7 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | | | trans | -55 | 126.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | P463 G467 | P463-G465 PolarHBondContact O-N 3.2Å; G465-G467 PolarHBondContact O-N 3.34Å |
| 466 | T | 47.5 | Very low | 59.1 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | | | trans | -43.1 | 114 | 178.6 | 41.2 | 0 | 0 | 0 | 0 | 108.8 | L464 V468 | L464-T466 PolarHBondContact O-N 3.12Å; T466-V468 PolarHBondContact O-N 3.41Å |
| 467 | G | 51.2 | Low | 60.6 | Low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | | | trans | -62.4 | 103.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G465 P469 | G465-G467 PolarHBondContact O-N 3.34Å; G467-P469 WeakPolarHBondContact O-CD 3.31Å |
| 468 | V | 56 | Low | 62.1 | Low | 113 Ų | 113 | 111 Ų | 111 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | | | trans | -55.7 | 120.9 | 159.5 | -178.5 | 0 | 0 | 0 | 0 | 105 | T466 | T466-V468 PolarHBondContact O-N 3.41Š|
| 469 | P | 56.5 | Low | 63.8 | Low | 105 Ų | 105 | 105.6 Ų | 105.6 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | | | trans | -58.8 | 150.7 | -178.5 | 24.2 | -33.4 | 0 | 0 | 0 | 109.6 | G467 G471 | G467-P469 WeakPolarHBondContact O-CD 3.31Å; P469-G471 PolarHBondContact O-N 3.11Å |
| 470 | S | 63.2 | Low | 65.3 | Low | 57 Ų | 57 | 100 Ų | 100 | 40% | 0.399 | 65% | 0.652 | S | S | . | * | | | trans | -71.9 | 59.2 | 175.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | Q516 | S470-Q516 PolarHBondContact OG-O 3.43Å; S470-Q516 VanDerWaalsContact OG-O 3.14Å |
| 471 | G | 71.7 | Confident | 67.1 | Low | 31 Ų | 31 | 94 Ų | 94 | 32% | 0.32 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 164 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P469 V473 Q516 | P469-G471 PolarHBondContact O-N 3.11Å; G471-V473 PolarHBondContact O-N 3.02Å; G471-Q516 PolarHBondContact O-N 3.39Å |
| 472 | V | 79.7 | Confident | 68.8 | Low | 37 Ų | 37 | 94.5 Ų | 94.5 | 22% | 0.224 | 62% | 0.624 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 121 | 171.4 | 173.5 | 0 | 0 | 0 | 0 | 108.5 | G474 E475 R513 A514 T515 | V472-G474 PolarHBondContact O-N 3.49Å; V472-E475 HydrophobicContact CB-CB 3.99Å; V472-E475 HydrophobicContact CB-CG 4.42Å; V472-E475 HydrophobicContact CG1-CB 4.12Å; V472-E475 WeakPolarHBondContact O-CB 3.23Å; V472-E475 PolarHBondContact O-N 2.81Å; V472-R513 HydrophobicContact CG1-CB 3.79Å; V472-R513 HydrophobicContact CG1-CG 4.33Å; V472-R513 HydrophobicContact CG2-CB 4.15Å; V472-A514 CarbonylContact C-O 3.57Å; V472-A514 WeakPolarHBondContact CA-O 3.34Å; V472-T515 HydrophobicContact CG2-CG2 4.11Å |
| 473 | V | 80.4 | Confident | 71 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.1 | 122 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | G471 A514 Q516 | G471-V473 PolarHBondContact O-N 3.02Å; V473-A514 HydrophobicContact CB-CB 4.49Å; V473-A514 WeakPolarHBondContact CB-O 3.2Å; V473-A514 PolarHBondContact N-O 3.17Å; V473-Q516 HydrophobicContact CG2-CB 3.89Å |
| 474 | G | 77.3 | Confident | 73.2 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 53% | 0.526 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 80.9 | 10.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V472 N476 A477 | V472-G474 PolarHBondContact O-N 3.49Å; G474-N476 PolarHBondContact O-N 3.3Å; G474-N476 VanDerWaalsContact O-N 3.07Å; G474-A477 VanDerWaalsContact O-CB 3.23Å; G474-A477 WeakPolarHBondContact O-CB 3.4Å; G474-A477 PolarHBondContact O-N 3.32Å |
| 475 | E | 78.8 | Confident | 75.1 | Confident | 127 Ų | 127 | 92 Ų | 92 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -28.7 | 179.7 | -172.3 | 166.2 | -149.8 | 0 | 0 | 114.5 | V472 | V472-E475 HydrophobicContact CB-CB 3.99Å; V472-E475 HydrophobicContact CB-CG 4.42Å; V472-E475 HydrophobicContact CG1-CB 4.12Å; V472-E475 WeakPolarHBondContact O-CB 3.23Å; V472-E475 PolarHBondContact O-N 2.81Å |
| 476 | N | 78.5 | Confident | 77.3 | Confident | 158 Ų | 158 | 90.5 Ų | 90.5 | 85% | 0.845 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 20.3 | 177.1 | -65.9 | -95.1 | 0 | 0 | 0 | 112.3 | G474 | G474-N476 PolarHBondContact O-N 3.3Å; G474-N476 VanDerWaalsContact O-N 3.07Å |
| 477 | A | 81.1 | Confident | 79.4 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 59% | 0.587 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 136.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G474 | G474-A477 VanDerWaalsContact O-CB 3.23Å; G474-A477 WeakPolarHBondContact O-CB 3.4Å; G474-A477 PolarHBondContact O-N 3.32Å |
| 478 | A | 81.1 | Confident | 81.4 | Confident | 88 Ų | 88 | 87.5 Ų | 87.5 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 146.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 479 | P | 83.3 | Confident | 83.1 | Confident | 120 Ų | 120 | 88.3 Ų | 88.3 | 78% | 0.779 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 147.4 | 170.3 | -21.6 | 28.9 | 0 | 0 | 0 | 112.4 | | |
| 480 | I | 86.5 | Confident | 84.7 | Confident | 120 Ų | 120 | 86.9 Ų | 86.9 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 123.3 | 174.4 | -65.3 | 164.4 | 0 | 0 | 0 | 108 | N484 | I480-N484 HydrophobicContact CG2-CB 3.54Š|
| 481 | P | 89.4 | Confident | 85.9 | Confident | 76 Ų | 76 | 87.3 Ų | 87.3 | 49% | 0.494 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 149.8 | -175.9 | 30.2 | -36 | 0 | 0 | 0 | 111.6 | T483 N484 S487 | P481-T483 PolarHBondContact O-N 3.43Å; P481-N484 VanDerWaalsContact O-CB 3.22Å; P481-N484 WeakPolarHBondContact O-CB 3.41Å; P481-N484 PolarHBondContact O-N 2.98Å; P481-S487 PolarHBondContact O-OG 3.45Å; P481-S487 VanDerWaalsContact O-OG 3.1Å |
| 482 | D | 88.4 | Confident | 86.8 | Confident | 95 Ų | 95 | 90.4 Ų | 90.4 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -6.3 | 180 | -52.7 | -76.3 | 0 | 0 | 0 | 114.7 | N484 R488 Q491 | D482-N484 VanDerWaalsContact C-N 3.32Å; D482-R488 WeakPolarHBondContact O-CG 3.45Å; D482-R488 PolarHBondContact O-NE 3.34Å; D482-Q491 PolarHBondContact OD1-NE2 2.66Å |
| 483 | T | 93.2 | Very high | 87.2 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -15.8 | 169.7 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | P481 | P481-T483 PolarHBondContact O-N 3.43Š|
| 484 | N | 93.8 | Very high | 87.4 | Confident | 75 Ų | 75 | 95.3 Ų | 95.3 | 40% | 0.401 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -70.6 | 143.6 | 179.8 | -167.6 | -68.9 | 0 | 0 | 0 | 111.2 | I480 P481 D482 G486 S487 R488 | I480-N484 HydrophobicContact CG2-CB 3.54Å; P481-N484 VanDerWaalsContact O-CB 3.22Å; P481-N484 WeakPolarHBondContact O-CB 3.41Å; P481-N484 PolarHBondContact O-N 2.98Å; D482-N484 VanDerWaalsContact C-N 3.32Å; N484-G486 VanDerWaalsContact C-N 3.33Å; N484-G486 PolarHBondContact O-N 3.25Å; N484-G486 PolarHBondContact OD1-N 3.5Å; N484-S487 PolarHBondContact O-OG 2.83Å; N484-R488 VanDerWaalsContact O-CG 3.31Å; N484-R488 WeakPolarHBondContact O-CG 3.32Å; N484-R488 PolarHBondContact O-N 3.18Å |
| 485 | M | 93.9 | Very high | 87.8 | Confident | 150 Ų | 150 | 96.2 Ų | 96.2 | 74% | 0.739 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.7 | -38.8 | 178.1 | -63.4 | -174.6 | -67.7 | 0 | 0 | 111.7 | R488 M489 | M485-R488 PolarHBondContact O-N 2.89Å; M485-M489 WeakPolarHBondContact O-CB 3.47Å; M485-M489 VanDerWaalsContact O-CG 3.24Å; M485-M489 WeakPolarHBondContact O-CG 3.37Å; M485-M489 PolarHBondContact O-N 2.88Å |
| 486 | G | 92.2 | Very high | 88.1 | Confident | 31 Ų | 31 | 92.3 Ų | 92.3 | 32% | 0.32 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N484 M489 L490 | N484-G486 VanDerWaalsContact C-N 3.33Å; N484-G486 PolarHBondContact O-N 3.25Å; N484-G486 PolarHBondContact OD1-N 3.5Å; G486-M489 PolarHBondContact O-N 3.02Å; G486-L490 VanDerWaalsContact O-CG 3.3Å; G486-L490 WeakPolarHBondContact O-CG 3.33Å; G486-L490 PolarHBondContact O-N 3.3Å |
| 487 | S | 91 | Very high | 88.3 | Confident | 7 Ų | 7 | 89.1 Ų | 89.1 | 5% | 0.049 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | P481 N484 L490 Q491 | P481-S487 PolarHBondContact O-OG 3.45Å; P481-S487 VanDerWaalsContact O-OG 3.1Å; N484-S487 PolarHBondContact O-OG 2.83Å; S487-L490 PolarHBondContact O-N 3.22Å; S487-Q491 WeakPolarHBondContact O-CB 3.32Å; S487-Q491 WeakPolarHBondContact O-CG 3.46Å; S487-Q491 PolarHBondContact O-N 3.08Å |
| 488 | R | 92.7 | Very high | 88.1 | Confident | 138 Ų | 138 | 88.6 Ų | 88.6 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.1 | -69.3 | 170.6 | 178.8 | -171.3 | -5.7 | 112.6 | D482 N484 M485 Q491 S492 | D482-R488 WeakPolarHBondContact O-CG 3.45Å; D482-R488 PolarHBondContact O-NE 3.34Å; N484-R488 VanDerWaalsContact O-CG 3.31Å; N484-R488 WeakPolarHBondContact O-CG 3.32Å; N484-R488 PolarHBondContact O-N 3.18Å; M485-R488 PolarHBondContact O-N 2.89Å; R488-Q491 PolarHBondContact O-N 3.02Å; R488-S492 PolarHBondContact O-N 2.89Å; R488-S492 PolarHBondContact O-OG 3.42Å |
| 489 | M | 92.9 | Very high | 88.1 | Confident | 130 Ų | 130 | 89 Ų | 89 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 176.1 | -73.1 | 174.9 | 77.5 | 0 | 0 | 111.3 | M485 G486 Q491 S492 M493 | M485-M489 WeakPolarHBondContact O-CB 3.47Å; M485-M489 VanDerWaalsContact O-CG 3.24Å; M485-M489 WeakPolarHBondContact O-CG 3.37Å; M485-M489 PolarHBondContact O-N 2.88Å; G486-M489 PolarHBondContact O-N 3.02Å; M489-Q491 VanDerWaalsContact C-N 3.35Å; M489-Q491 PolarHBondContact O-N 2.87Å; M489-S492 WeakPolarHBondContact CA-OG 3.49Å; M489-S492 PolarHBondContact O-N 3.06Å; M489-S492 PolarHBondContact O-OG 2.89Å; M489-M493 WeakPolarHBondContact O-CG 3.46Å; M489-M493 PolarHBondContact O-N 3.46Å; M489-M493 VanDerWaalsContact O-N 3.14Å |
| 490 | L | 89.7 | Confident | 87.8 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 39% | 0.387 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 173.9 | -69.6 | 170.6 | 0 | 0 | 0 | 111.5 | G486 S487 S492 M493 G494 W495 L501 | G486-L490 VanDerWaalsContact O-CG 3.3Å; G486-L490 WeakPolarHBondContact O-CG 3.33Å; G486-L490 PolarHBondContact O-N 3.3Å; S487-L490 PolarHBondContact O-N 3.22Å; L490-S492 PolarHBondContact O-N 2.87Å; L490-M493 CarbonylContact O-C 3.25Å; L490-M493 WeakPolarHBondContact O-CA 3.49Å; L490-M493 PolarHBondContact O-N 2.86Å; L490-G494 PolarHBondContact O-N 2.85Å; L490-W495 HydrophobicContact CB-CB 4.08Å; L490-W495 HydrophobicContact CB-CD2 4.13Å; L490-W495 HydrophobicContact CB-CE3 3.58Å; L490-W495 HydrophobicContact CB-CG 4.36Å; L490-W495 HydrophobicContact CB-CZ3 4.38Å; L490-W495 HydrophobicContact CD1-CE3 4.18Å; L490-W495 HydrophobicContact CD1-CZ3 4.42Å; L490-W495 WeakPolarHBondContact O-CB 3.42Å; L490-W495 PolarHBondContact O-N 3.44Å; L490-L501 HydrophobicContact CD2-CD2 4.28Å |
| 491 | Q | 89.3 | Confident | 87.3 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 31% | 0.313 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 176 | -73.5 | 164.4 | 1.4 | 0 | 0 | 112.8 | D482 S487 R488 M489 M493 G494 W495 | D482-Q491 PolarHBondContact OD1-NE2 2.66Å; S487-Q491 WeakPolarHBondContact O-CB 3.32Å; S487-Q491 WeakPolarHBondContact O-CG 3.46Å; S487-Q491 PolarHBondContact O-N 3.08Å; R488-Q491 PolarHBondContact O-N 3.02Å; M489-Q491 VanDerWaalsContact C-N 3.35Å; M489-Q491 PolarHBondContact O-N 2.87Å; Q491-M493 PolarHBondContact O-N 3.27Å; Q491-G494 PolarHBondContact O-N 2.82Å; Q491-G494 VanDerWaalsContact O-N 3.07Å; Q491-W495 WeakPolarHBondContact CA-O 3.25Å; Q491-W495 HydrophobicContact CG-CE3 4.46Å; Q491-W495 WeakPolarHBondContact CG-O 3.48Å |
| 492 | S | 90.1 | Very high | 86.5 | Confident | 96 Ų | 96 | 82 Ų | 82 | 67% | 0.671 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.3 | -22.2 | 172.7 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | R488 M489 L490 G494 | R488-S492 PolarHBondContact O-N 2.89Å; R488-S492 PolarHBondContact O-OG 3.42Å; M489-S492 WeakPolarHBondContact CA-OG 3.49Å; M489-S492 PolarHBondContact O-N 3.06Å; M489-S492 PolarHBondContact O-OG 2.89Å; L490-S492 PolarHBondContact O-N 2.87Å; S492-G494 VanDerWaalsContact C-N 3.3Å |
| 493 | M | 87.2 | Confident | 85.8 | Confident | 163 Ų | 163 | 84.3 Ų | 84.3 | 80% | 0.803 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 14.9 | 173.1 | -61.9 | -60.2 | -66.2 | 0 | 0 | 112.8 | M489 L490 Q491 | M489-M493 WeakPolarHBondContact O-CG 3.46Å; M489-M493 PolarHBondContact O-N 3.46Å; M489-M493 VanDerWaalsContact O-N 3.14Å; L490-M493 CarbonylContact O-C 3.25Å; L490-M493 WeakPolarHBondContact O-CA 3.49Å; L490-M493 PolarHBondContact O-N 2.86Å; Q491-M493 PolarHBondContact O-N 3.27Å |
| 494 | G | 85.6 | Confident | 85.2 | Confident | 63 Ų | 63 | 85.5 Ų | 85.5 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 4.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L490 Q491 S492 | L490-G494 PolarHBondContact O-N 2.85Å; Q491-G494 PolarHBondContact O-N 2.82Å; Q491-G494 VanDerWaalsContact O-N 3.07Å; S492-G494 VanDerWaalsContact C-N 3.3Å |
| 495 | W | 86.1 | Confident | 84.3 | Confident | 70 Ų | 70 | 82.8 Ų | 82.8 | 27% | 0.265 | 49% | 0.486 | S | S | . | . | | | trans | -80.2 | 132 | 176 | 177 | 73.8 | 0 | 0 | 0 | 112.1 | L490 Q491 P497 M499 L501 | L490-W495 HydrophobicContact CB-CB 4.08Å; L490-W495 HydrophobicContact CB-CD2 4.13Å; L490-W495 HydrophobicContact CB-CE3 3.58Å; L490-W495 HydrophobicContact CB-CG 4.36Å; L490-W495 HydrophobicContact CB-CZ3 4.38Å; L490-W495 HydrophobicContact CD1-CE3 4.18Å; L490-W495 HydrophobicContact CD1-CZ3 4.42Å; L490-W495 WeakPolarHBondContact O-CB 3.42Å; L490-W495 PolarHBondContact O-N 3.44Å; Q491-W495 WeakPolarHBondContact CA-O 3.25Å; Q491-W495 HydrophobicContact CG-CE3 4.46Å; Q491-W495 WeakPolarHBondContact CG-O 3.48Å; W495-P497 HydrophobicContact CH2-CG 4.3Å; W495-P497 HydrophobicContact CZ3-CG 4.49Å; W495-M499 PolarHBondContact NE1-O 2.82Å; W495-L501 HydrophobicContact CB-CD2 3.73Å; W495-L501 VanDerWaalsContact CD1-CD2 3.47Å; W495-L501 HydrophobicContact CG-CD2 3.68Å; W495-L501 HydrophobicContact CG-CG 4.45Å |
| 496 | S | 84.4 | Confident | 83.6 | Confident | 44 Ų | 44 | 85.3 Ų | 85.3 | 31% | 0.308 | 49% | 0.488 | S | S | . | . | | | trans | -122.1 | 151.6 | 172.2 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | G498 M499 | S496-G498 PolarHBondContact O-N 2.96Å; S496-M499 PolarHBondContact O-N 2.84Å; S496-M499 WeakPolarHBondContact OG-CB 3.38Å; S496-M499 VanDerWaalsContact OG-CG 3.25Å; S496-M499 WeakPolarHBondContact OG-CG 3.33Å; S496-M499 PolarHBondContact OG-SD 2.79Å |
| 497 | P | 82.1 | Confident | 83 | Confident | 92 Ų | 92 | 85.1 Ų | 85.1 | 60% | 0.597 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 121.6 | 178.3 | -25.7 | 35.4 | 0 | 0 | 0 | 112.1 | W495 | W495-P497 HydrophobicContact CH2-CG 4.3Å; W495-P497 HydrophobicContact CZ3-CG 4.49Å |
| 498 | G | 78.1 | Confident | 82.4 | Confident | 59 Ų | 59 | 91.2 Ų | 91.2 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -13.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | S496 T509 | S496-G498 PolarHBondContact O-N 2.96Å; G498-T509 VanDerWaalsContact O-CG2 3.31Å; G498-T509 WeakPolarHBondContact O-CG2 3.38Å |
| 499 | M | 80 | Confident | 81.6 | Confident | 98 Ų | 98 | 88.9 Ų | 88.9 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -87.4 | 147.2 | 164.1 | -70.1 | -176.6 | 64.1 | 0 | 0 | 110.5 | W495 S496 | W495-M499 PolarHBondContact NE1-O 2.82Å; S496-M499 PolarHBondContact O-N 2.84Å; S496-M499 WeakPolarHBondContact OG-CB 3.38Å; S496-M499 VanDerWaalsContact OG-CG 3.25Å; S496-M499 WeakPolarHBondContact OG-CG 3.33Å; S496-M499 PolarHBondContact OG-SD 2.79Å |
| 500 | G | 77.3 | Confident | 81 | Confident | 4 Ų | 4 | 88.3 Ų | 88.3 | 4% | 0.041 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 146.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G505 G507 | G500-G505 WeakPolarHBondContact CA-O 3.33Å; G500-G505 PolarHBondContact N-O 3.06Å; G500-G505 CarbonylContact O-C 3.59Å; G500-G505 VanDerWaalsContact O-C 3.25Å; G500-G505 VanDerWaalsContact O-CA 3.28Å; G500-G505 WeakPolarHBondContact O-CA 3.26Å; G500-G507 WeakPolarHBondContact CA-O 3.28Å |
| 501 | L | 75.4 | Confident | 80.4 | Confident | 113 Ų | 113 | 90 Ų | 90 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -65.3 | 135.9 | 176.6 | -69 | 165.5 | 0 | 0 | 0 | 111.9 | L490 W495 G507 | L490-L501 HydrophobicContact CD2-CD2 4.28Å; W495-L501 HydrophobicContact CB-CD2 3.73Å; W495-L501 VanDerWaalsContact CD1-CD2 3.47Å; W495-L501 HydrophobicContact CG-CD2 3.68Å; W495-L501 HydrophobicContact CG-CG 4.45Å; L501-G507 WeakPolarHBondContact O-CA 3.37Å |
| 502 | G | 73.5 | Confident | 80.1 | Confident | 50 Ų | 50 | 93.9 Ų | 93.9 | 52% | 0.515 | 55% | 0.55 | S | S | . | . | S | Bend | trans | 132.5 | 164.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E504 G505 | G502-E504 PolarHBondContact O-N 3.36Å; G502-G505 PolarHBondContact O-N 3.36Å |
| 503 | P | 74.1 | Confident | 79.8 | Confident | 144 Ų | 144 | 97 Ų | 97 | 94% | 0.935 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.4 | -174.4 | 24.1 | -34.3 | 0 | 0 | 0 | 113.4 | | |
| 504 | E | 79.9 | Confident | 79.7 | Confident | 128 Ų | 128 | 92 Ų | 92 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.5 | 178.7 | -72.7 | -68.8 | 129 | 0 | 0 | 114.2 | G502 R506 | G502-E504 PolarHBondContact O-N 3.36Å; E504-R506 HydrophobicContact CB-CB 4.27Å; E504-R506 HydrophobicContact CB-CG 3.97Å; E504-R506 WeakPolarHBondContact O-CG 3.43Å; E504-R506 PolarHBondContact O-N 2.95Å; E504-R506 VanDerWaalsContact O-N 3.13Å; E504-R506 IonicContact OE2-CZ 3.99Å; E504-R506 IonicContact OE2-NE 3.2Å; E504-R506 PolarHBondContact OE2-NE 2.87Å; E504-R506 IonicContact OE2-NH2 3.17Å; E504-R506 PolarHBondContact OE2-NH2 2.97Å |
| 505 | G | 75.8 | Confident | 79.7 | Confident | 17 Ų | 17 | 93.1 Ų | 93.1 | 18% | 0.175 | 53% | 0.525 | C | S | . | . | S | Bend | trans | 67.8 | 3.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G500 G502 | G500-G505 WeakPolarHBondContact CA-O 3.33Å; G500-G505 PolarHBondContact N-O 3.06Å; G500-G505 CarbonylContact O-C 3.59Å; G500-G505 VanDerWaalsContact O-C 3.25Å; G500-G505 VanDerWaalsContact O-CA 3.28Å; G500-G505 WeakPolarHBondContact O-CA 3.26Å; G502-G505 PolarHBondContact O-N 3.36Å |
| 506 | R | 79.2 | Confident | 79.6 | Confident | 204 Ų | 204 | 94.4 Ų | 94.4 | 77% | 0.77 | 54% | 0.535 | S | S | * | . | | | trans | -94.4 | 15.8 | -173.5 | -57.6 | -177.2 | -147.1 | -154.1 | 9.2 | 115.1 | E504 | E504-R506 HydrophobicContact CB-CB 4.27Å; E504-R506 HydrophobicContact CB-CG 3.97Å; E504-R506 WeakPolarHBondContact O-CG 3.43Å; E504-R506 PolarHBondContact O-N 2.95Å; E504-R506 VanDerWaalsContact O-N 3.13Å; E504-R506 IonicContact OE2-CZ 3.99Å; E504-R506 IonicContact OE2-NE 3.2Å; E504-R506 PolarHBondContact OE2-NE 2.87Å; E504-R506 IonicContact OE2-NH2 3.17Å; E504-R506 PolarHBondContact OE2-NH2 2.97Å |
| 507 | G | 77.9 | Confident | 79.5 | Confident | 26 Ų | 26 | 97.9 Ų | 97.9 | 27% | 0.268 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -61.7 | -179.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | G500 L501 T509 | G500-G507 WeakPolarHBondContact CA-O 3.28Å; L501-G507 WeakPolarHBondContact O-CA 3.37Å; G507-T509 PolarHBondContact O-N 3.31Å; G507-T509 VanDerWaalsContact O-N 3.11Å |
| 508 | I | 80.1 | Confident | 79.6 | Confident | 136 Ų | 136 | 95.9 Ų | 95.9 | 70% | 0.697 | 53% | 0.528 | S | S | * | . | | | trans | -61.8 | 117.5 | -179.7 | -50.6 | 178.2 | 0 | 0 | 0 | 109.9 | E510 | I508-E510 WeakPolarHBondContact CG2-O 3.27Š|
| 509 | T | 75 | Confident | 79.9 | Confident | 89 Ų | 89 | 103 Ų | 103 | 55% | 0.546 | 54% | 0.542 | S | S | . | . | | | trans | -91.1 | -30.5 | -179.8 | 52 | 0 | 0 | 0 | 0 | 113.2 | G498 G507 | G498-T509 VanDerWaalsContact O-CG2 3.31Å; G498-T509 WeakPolarHBondContact O-CG2 3.38Å; G507-T509 PolarHBondContact O-N 3.31Å; G507-T509 VanDerWaalsContact O-N 3.11Å |
| 510 | E | 79.6 | Confident | 80.1 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -76.4 | 133.9 | 172.3 | -79.9 | -160.1 | -142.4 | 0 | 0 | 111.7 | I508 I512 R513 | I508-E510 WeakPolarHBondContact CG2-O 3.27Å; E510-I512 PolarHBondContact O-N 3.33Å; E510-R513 IonicContact OE2-CZ 2.88Å; E510-R513 IonicContact OE2-NE 3.53Å; E510-R513 IonicContact OE2-NH2 2.66Å; E510-R513 PolarHBondContact OE2-NH2 3.32Å |
| 511 | P | 78.1 | Confident | 80.4 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 71% | 0.714 | 58% | 0.578 | S | S | * | * | | | trans | -57.9 | 131.1 | 174.9 | -26 | 35.1 | 0 | 0 | 0 | 113 | R513 | P511-R513 WeakPolarHBondContact O-CG 3.33Å; P511-R513 PolarHBondContact O-N 2.97Å; P511-R513 VanDerWaalsContact O-N 3.11Å |
| 512 | I | 82.8 | Confident | 80.7 | Confident | 147 Ų | 147 | 101.6 Ų | 101.6 | 75% | 0.754 | 58% | 0.575 | S | S | * | * | | | trans | -65 | 112.5 | 178.8 | -59 | 177.3 | 0 | 0 | 0 | 109.7 | E510 A514 | E510-I512 PolarHBondContact O-N 3.33Å; I512-A514 PolarHBondContact O-N 2.92Å |
| 513 | R | 84.8 | Confident | 81.1 | Confident | 163 Ų | 163 | 106.9 Ų | 106.9 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | | | trans | -82.1 | 106.5 | -175.1 | -53.8 | -173.7 | -158.4 | -167.5 | 8.5 | 110.8 | V472 E510 P511 | V472-R513 HydrophobicContact CG1-CB 3.79Å; V472-R513 HydrophobicContact CG1-CG 4.33Å; V472-R513 HydrophobicContact CG2-CB 4.15Å; E510-R513 IonicContact OE2-CZ 2.88Å; E510-R513 IonicContact OE2-NE 3.53Å; E510-R513 IonicContact OE2-NH2 2.66Å; E510-R513 PolarHBondContact OE2-NH2 3.32Å; P511-R513 WeakPolarHBondContact O-CG 3.33Å; P511-R513 PolarHBondContact O-N 2.97Å; P511-R513 VanDerWaalsContact O-N 3.11Å |
| 514 | A | 84.6 | Confident | 81.6 | Confident | 58 Ų | 58 | 104.1 Ų | 104.1 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 117 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V472 V473 I512 | V472-A514 CarbonylContact C-O 3.57Å; V472-A514 WeakPolarHBondContact CA-O 3.34Å; V473-A514 HydrophobicContact CB-CB 4.49Å; V473-A514 WeakPolarHBondContact CB-O 3.2Å; V473-A514 PolarHBondContact N-O 3.17Å; I512-A514 PolarHBondContact O-N 2.92Å |
| 515 | T | 85.8 | Confident | 81.4 | Confident | 85 Ų | 85 | 102.3 Ų | 102.3 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.8 | 178.8 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | V472 R517 | V472-T515 HydrophobicContact CG2-CG2 4.11Å; T515-R517 PolarHBondContact O-N 2.94Å |
| 516 | Q | 82.9 | Confident | 80.7 | Confident | 98 Ų | 98 | 110.4 Ų | 110.4 | 46% | 0.458 | 62% | 0.619 | S | S | . | * | | | trans | -79.3 | 99.5 | 176.9 | -174.2 | 172.2 | 114.1 | 0 | 0 | 111.4 | S470 G471 V473 | S470-Q516 PolarHBondContact OG-O 3.43Å; S470-Q516 VanDerWaalsContact OG-O 3.14Å; G471-Q516 PolarHBondContact O-N 3.39Å; V473-Q516 HydrophobicContact CG2-CB 3.89Å |
| 517 | R | 83.6 | Confident | 80.8 | Confident | 116 Ų | 116 | 105.8 Ų | 105.8 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 133.1 | 174 | -70.1 | -172.6 | 175.7 | -136.1 | -8.7 | 111.7 | T515 L523 F525 N526 | T515-R517 PolarHBondContact O-N 2.94Å; R517-L523 PolarHBondContact NH1-O 3.25Å; R517-F525 PolarHBondContact NH1-O 3.14Å; R517-F525 PolarHBondContact NH2-O 3.47Å; R517-N526 PolarHBondContact NH2-OD1 3.03Å |
| 518 | P | 84.2 | Confident | 80.9 | Confident | 51 Ų | 51 | 109.9 Ų | 109.9 | 33% | 0.331 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 141.4 | -177.1 | 22.4 | -30 | 0 | 0 | 0 | 112.7 | G520 A521 F525 | P518-G520 PolarHBondContact O-N 2.89Å; P518-A521 HydrophobicContact CG-CB 4.13Å; P518-A521 WeakPolarHBondContact O-CB 3.26Å; P518-A521 PolarHBondContact O-N 3.38Å; P518-A521 VanDerWaalsContact O-N 3.11Å; P518-F525 HydrophobicContact CG-CD1 4.17Å; P518-F525 HydrophobicContact CG-CD2 4.47Å; P518-F525 HydrophobicContact CG-CE1 3.64Å; P518-F525 HydrophobicContact CG-CE2 3.97Å; P518-F525 HydrophobicContact CG-CZ 3.53Å |
| 519 | K | 83.8 | Confident | 81 | Confident | 208 Ų | 208 | 108.5 Ų | 108.5 | 90% | 0.904 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 118.3 | -173.2 | -68.1 | 177.6 | -179.1 | 174.1 | 0 | 111.5 | | |
| 520 | G | 83.8 | Confident | 81.3 | Confident | 86 Ų | 86 | 109.6 Ų | 109.6 | 89% | 0.887 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.9 | -1.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P518 | P518-G520 PolarHBondContact O-N 2.89Š|
| 521 | A | 83.1 | Confident | 81.4 | Confident | 46 Ų | 46 | 109.1 Ų | 109.1 | 38% | 0.38 | 64% | 0.635 | S | S | . | * | | | trans | -67.3 | 151.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P518 F525 | P518-A521 HydrophobicContact CG-CB 4.13Å; P518-A521 WeakPolarHBondContact O-CB 3.26Å; P518-A521 PolarHBondContact O-N 3.38Å; P518-A521 VanDerWaalsContact O-N 3.11Å; A521-F525 HydrophobicContact CB-CB 3.77Å; A521-F525 HydrophobicContact CB-CD1 4.43Å; A521-F525 HydrophobicContact CB-CD2 4.12Å; A521-F525 HydrophobicContact CB-CG 3.85Å |
| 522 | G | 82.6 | Confident | 81.7 | Confident | 53 Ų | 53 | 109.1 Ų | 109.1 | 55% | 0.546 | 63% | 0.63 | S | S | . | * | | | trans | -81.8 | 175.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | G524 F525 | G522-G524 PolarHBondContact O-N 3.17Å; G522-F525 WeakPolarHBondContact O-CB 3.46Å; G522-F525 PolarHBondContact O-N 3.36Å; G522-F525 VanDerWaalsContact O-N 3.12Å |
| 523 | L | 82.6 | Confident | 81.6 | Confident | 162 Ų | 162 | 106.4 Ų | 106.4 | 85% | 0.848 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -33.6 | 175.6 | -69.1 | 173.4 | 0 | 0 | 0 | 112.6 | R517 F525 | R517-L523 PolarHBondContact NH1-O 3.25Å; L523-F525 PolarHBondContact O-N 3.3Å |
| 524 | G | 84.4 | Confident | 81.3 | Confident | 86 Ų | 86 | 102 Ų | 102 | 89% | 0.887 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 13.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G522 | G522-G524 PolarHBondContact O-N 3.17Š|
| 525 | F | 73.9 | Confident | 81.1 | Confident | 89 Ų | 89 | 105.7 Ų | 105.7 | 39% | 0.39 | 63% | 0.633 | S | S | . | * | | | trans | -89.2 | 106.9 | 161.7 | -174.5 | -80.6 | 0 | 0 | 0 | 108 | R517 P518 A521 G522 L523 | R517-F525 PolarHBondContact NH1-O 3.14Å; R517-F525 PolarHBondContact NH2-O 3.47Å; P518-F525 HydrophobicContact CG-CD1 4.17Å; P518-F525 HydrophobicContact CG-CD2 4.47Å; P518-F525 HydrophobicContact CG-CE1 3.64Å; P518-F525 HydrophobicContact CG-CE2 3.97Å; P518-F525 HydrophobicContact CG-CZ 3.53Å; A521-F525 HydrophobicContact CB-CB 3.77Å; A521-F525 HydrophobicContact CB-CD1 4.43Å; A521-F525 HydrophobicContact CB-CD2 4.12Å; A521-F525 HydrophobicContact CB-CG 3.85Å; G522-F525 WeakPolarHBondContact O-CB 3.46Å; G522-F525 PolarHBondContact O-N 3.36Å; G522-F525 VanDerWaalsContact O-N 3.12Å; L523-F525 PolarHBondContact O-N 3.3Å |
| 526 | N | 62 | Low | 80.6 | Confident | 188 Ų | 188 | 107.5 Ų | 107.5 | 100% | 1.005 | 64% | 0.643 | S | S | * | * | | | trans | -114.3 | 0 | 168.1 | -85.4 | -1.4 | 0 | 0 | 0 | 108.3 | R517 | R517-N526 PolarHBondContact NH2-OD1 3.03Š|