| 1 | M | 35 | Very low | 34.7 | Very low | 245 Ų | 245 | 137.7 Ų | 137.7 | 100% | 1.207 | 79% | 0.794 | S | S | * | * | | | | 0 | 97.8 | 0 | -73.5 | 171.7 | 166.5 | 0 | 0 | 108.4 | | |
| 2 | T | 37.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -147.3 | 93.4 | 172.9 | 34.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 3 | S | 30.1 | Very low | 35.2 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -75.8 | 125.6 | 168.8 | 168.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 4 | V | 34.7 | Very low | 35.3 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 62% | 0.624 | 78% | 0.783 | S | S | * | * | | | trans | -130.9 | 98.1 | 168.2 | -174.9 | 0 | 0 | 0 | 0 | 106.8 | F6 | V4-F6 HydrophobicContact CG1-CD2 3.4Å; V4-F6 HydrophobicContact CG1-CE2 3.24Å; V4-F6 HydrophobicContact CG1-CG 4.4Å; V4-F6 HydrophobicContact CG1-CZ 4.13Å |
| 5 | V | 33.5 | Very low | 35.5 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | | | trans | -88.2 | 109.8 | 170.1 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 6 | F | 34 | Very low | 35.6 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -100.6 | 99.3 | 168 | -86.1 | -73 | 0 | 0 | 0 | 108.9 | V4 S8 | V4-F6 HydrophobicContact CG1-CD2 3.4Å; V4-F6 HydrophobicContact CG1-CE2 3.24Å; V4-F6 HydrophobicContact CG1-CG 4.4Å; V4-F6 HydrophobicContact CG1-CZ 4.13Å; F6-S8 PolarHBondContact O-N 3.5Å |
| 7 | C | 33.8 | Very low | 36.4 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -82.5 | 95.4 | 158.6 | -73.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 8 | S | 38.3 | Very low | 36.8 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 54% | 0.538 | 78% | 0.782 | S | S | . | * | | | trans | -95.7 | 113.5 | 164.4 | 61.6 | 0 | 0 | 0 | 0 | 108.8 | F6 Y10 | F6-S8 PolarHBondContact O-N 3.5Å; S8-Y10 PolarHBondContact O-N 3.39Å |
| 9 | A | 31.7 | Very low | 37.7 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 117 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 10 | Y | 33.3 | Very low | 38.2 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 136.1 | 161.1 | -74.6 | -85.7 | 0 | 0 | 0 | 108.1 | S8 M12 | S8-Y10 PolarHBondContact O-N 3.39Å; Y10-M12 PolarHBondContact O-N 3.22Å |
| 11 | P | 40.6 | Very low | 39 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 123.3 | 176.3 | 26.3 | -31.2 | 0 | 0 | 0 | 109.1 | G13 | P11-G13 PolarHBondContact O-N 3.38Š|
| 12 | M | 36.5 | Very low | 39.9 | Very low | 173 Ų | 173 | 120.2 Ų | 120.2 | 85% | 0.852 | 72% | 0.718 | S | S | * | * | | | trans | -57.6 | 98.8 | 174.3 | -74.1 | -96.2 | -176.5 | 0 | 0 | 109.9 | Y10 | Y10-M12 PolarHBondContact O-N 3.22Š|
| 13 | G | 39.3 | Very low | 41 | Very low | 51 Ų | 51 | 119.6 Ų | 119.6 | 53% | 0.526 | 71% | 0.705 | S | S | . | * | | | trans | -86.2 | 102.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P11 F15 | P11-G13 PolarHBondContact O-N 3.38Å; G13-F15 PolarHBondContact O-N 3.32Å; G13-F15 VanDerWaalsContact O-N 3.13Å |
| 14 | T | 36.6 | Very low | 42.2 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 85% | 0.847 | 70% | 0.698 | S | S | * | * | | | trans | -60.5 | 108.2 | 176 | 42.4 | 0 | 0 | 0 | 0 | 111 | | |
| 15 | F | 38.6 | Very low | 43.2 | Very low | 155 Ų | 155 | 120.3 Ų | 120.3 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | | | trans | -81.3 | 144.4 | 165.1 | -78.7 | -80.9 | 0 | 0 | 0 | 110.6 | G13 N17 | G13-F15 PolarHBondContact O-N 3.32Å; G13-F15 VanDerWaalsContact O-N 3.13Å; F15-N17 VanDerWaalsContact C-N 3.26Å; F15-N17 PolarHBondContact O-N 3.33Å |
| 16 | P | 37.1 | Very low | 45 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -79.9 | 79.2 | -178 | 33.7 | -31.5 | 0 | 0 | 0 | 108.7 | | |
| 17 | N | 48.7 | Very low | 46.6 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 78% | 0.775 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 179.7 | 95 | 159 | -90.6 | -22.6 | 0 | 0 | 0 | 105.1 | F15 V19 | F15-N17 VanDerWaalsContact C-N 3.26Å; F15-N17 PolarHBondContact O-N 3.33Å; N17-V19 PolarHBondContact O-N 3.13Å |
| 18 | G | 44.5 | Very low | 48.3 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 92% | 0.918 | 67% | 0.669 | S | S | * | * | | | trans | -65.3 | 53.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 19 | V | 53.2 | Low | 49.8 | Very low | 119 Ų | 119 | 117 Ų | 117 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | | | trans | -95.9 | 113.6 | 167.1 | -175.6 | 0 | 0 | 0 | 0 | 106.1 | N17 E21 | N17-V19 PolarHBondContact O-N 3.13Å; V19-E21 PolarHBondContact O-N 3.02Å |
| 20 | D | 47.2 | Very low | 51.5 | Low | 96 Ų | 96 | 117.2 Ų | 117.2 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | | | trans | -47 | 97.2 | -177.8 | -82.3 | -34.3 | 0 | 0 | 0 | 111.5 | S22 Q23 R24 | D20-S22 PolarHBondContact O-N 3.18Å; D20-S22 VanDerWaalsContact O-N 3.11Å; D20-Q23 HydrophobicContact CB-CB 4.03Å; D20-Q23 HydrophobicContact CB-CG 3.9Å; D20-Q23 WeakPolarHBondContact O-CA 3.45Å; D20-Q23 WeakPolarHBondContact O-CB 3.33Å; D20-Q23 PolarHBondContact O-N 3.39Å; D20-R24 PolarHBondContact O-N 3.31Å |
| 21 | E | 54.5 | Low | 53.2 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 51% | 0.505 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61 | -23.5 | 177 | -147.7 | 163.7 | -161.8 | 0 | 0 | 110.6 | V19 R24 A25 | V19-E21 PolarHBondContact O-N 3.02Å; E21-R24 PolarHBondContact O-N 3.36Å; E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.39Å |
| 22 | S | 54.2 | Low | 54.6 | Low | 65 Ų | 65 | 109.9 Ų | 109.9 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.5 | -38.4 | 169 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | D20 K26 | D20-S22 PolarHBondContact O-N 3.18Å; D20-S22 VanDerWaalsContact O-N 3.11Å; S22-K26 VanDerWaalsContact O-CB 3.3Å; S22-K26 WeakPolarHBondContact O-CB 3.27Å; S22-K26 PolarHBondContact O-N 3.24Å |
| 23 | Q | 61.7 | Low | 56.1 | Low | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.584 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.1 | -41 | 174.6 | -78.4 | -169.6 | -8 | 0 | 0 | 111.5 | D20 K26 Q27 | D20-Q23 HydrophobicContact CB-CB 4.03Å; D20-Q23 HydrophobicContact CB-CG 3.9Å; D20-Q23 WeakPolarHBondContact O-CA 3.45Å; D20-Q23 WeakPolarHBondContact O-CB 3.33Å; D20-Q23 PolarHBondContact O-N 3.39Å; Q23-K26 PolarHBondContact O-N 2.96Å; Q23-Q27 PolarHBondContact O-N 3.05Å |
| 24 | R | 54.5 | Low | 57.4 | Low | 168 Ų | 168 | 109.9 Ų | 109.9 | 63% | 0.634 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.5 | -42.3 | 176.4 | -172.3 | 175.9 | 158.4 | -141 | -4.2 | 111.2 | D20 E21 K26 Q27 V28 | D20-R24 PolarHBondContact O-N 3.31Å; E21-R24 PolarHBondContact O-N 3.36Å; R24-K26 VanDerWaalsContact C-N 3.32Å; R24-K26 PolarHBondContact O-N 3.4Å; R24-Q27 PolarHBondContact O-N 3.14Å; R24-V28 WeakPolarHBondContact O-CG2 3.31Å; R24-V28 PolarHBondContact O-N 3.15Å |
| 25 | A | 56.7 | Low | 58.4 | Low | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.8 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E21 V28 A29 | E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.39Å; A25-V28 PolarHBondContact O-N 2.94Å; A25-A29 WeakPolarHBondContact O-CB 3.31Å; A25-A29 PolarHBondContact O-N 2.63Å |
| 26 | K | 70.3 | Confident | 59 | Low | 144 Ų | 144 | 105.9 Ų | 105.9 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.9 | -42.1 | 175.2 | -169.1 | 178 | 179.8 | -176.1 | 0 | 112.4 | S22 Q23 R24 A29 D30 | S22-K26 VanDerWaalsContact O-CB 3.3Å; S22-K26 WeakPolarHBondContact O-CB 3.27Å; S22-K26 PolarHBondContact O-N 3.24Å; Q23-K26 PolarHBondContact O-N 2.96Å; R24-K26 VanDerWaalsContact C-N 3.32Å; R24-K26 PolarHBondContact O-N 3.4Å; K26-A29 PolarHBondContact O-N 3.05Å; K26-D30 WeakPolarHBondContact O-CB 3.36Å; K26-D30 PolarHBondContact O-N 3.26Å |
| 27 | Q | 68.6 | Low | 60 | Low | 143 Ų | 143 | 104 Ų | 104 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 175.4 | -81.7 | -177 | -7.6 | 0 | 0 | 112.6 | Q23 R24 A29 D30 A31 | Q23-Q27 PolarHBondContact O-N 3.05Å; R24-Q27 PolarHBondContact O-N 3.14Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; Q27-D30 PolarHBondContact O-N 2.83Å; Q27-A31 VanDerWaalsContact O-CB 3.31Å; Q27-A31 WeakPolarHBondContact O-CB 3.22Å; Q27-A31 PolarHBondContact O-N 3.23Å |
| 28 | V | 69.5 | Low | 60.3 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | 177 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | R24 A25 A31 L32 | R24-V28 WeakPolarHBondContact O-CG2 3.31Å; R24-V28 PolarHBondContact O-N 3.15Å; A25-V28 PolarHBondContact O-N 2.94Å; V28-A31 PolarHBondContact O-N 3.15Å; V28-L32 VanDerWaalsContact O-CB 3.29Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 PolarHBondContact O-N 3.49Å |
| 29 | A | 67.9 | Low | 60.6 | Low | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A25 K26 Q27 A31 L32 V33 | A25-A29 WeakPolarHBondContact O-CB 3.31Å; A25-A29 PolarHBondContact O-N 2.63Å; K26-A29 PolarHBondContact O-N 3.05Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; A29-A31 PolarHBondContact O-N 3.28Å; A29-L32 PolarHBondContact O-N 2.98Å; A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.49Å; A29-V33 PolarHBondContact O-N 3.45Å |
| 30 | D | 68.8 | Low | 60.6 | Low | 106 Ų | 106 | 104.2 Ų | 104.2 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 176.8 | -89.3 | -7.7 | 0 | 0 | 0 | 111.7 | K26 Q27 L32 K34 | K26-D30 WeakPolarHBondContact O-CB 3.36Å; K26-D30 PolarHBondContact O-N 3.26Å; Q27-D30 PolarHBondContact O-N 2.83Å; D30-L32 VanDerWaalsContact C-N 3.35Å; D30-L32 PolarHBondContact O-N 2.98Å; D30-K34 VanDerWaalsContact O-CB 3.31Å; D30-K34 WeakPolarHBondContact O-CB 3.29Å; D30-K34 PolarHBondContact O-N 3.28Å |
| 31 | A | 68.5 | Low | 60.7 | Low | 62 Ų | 62 | 105.9 Ų | 105.9 | 51% | 0.512 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.8 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q27 V28 A29 K34 S35 | Q27-A31 VanDerWaalsContact O-CB 3.31Å; Q27-A31 WeakPolarHBondContact O-CB 3.22Å; Q27-A31 PolarHBondContact O-N 3.23Å; V28-A31 PolarHBondContact O-N 3.15Å; A29-A31 PolarHBondContact O-N 3.28Å; A31-K34 PolarHBondContact O-N 3.11Å; A31-S35 PolarHBondContact O-N 3.31Å |
| 32 | L | 69.3 | Low | 60.4 | Low | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76 | -33.1 | -178.3 | -155 | 136.8 | 0 | 0 | 0 | 112.3 | V28 A29 D30 S35 Y36 | V28-L32 VanDerWaalsContact O-CB 3.29Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 PolarHBondContact O-N 3.49Å; A29-L32 PolarHBondContact O-N 2.98Å; D30-L32 VanDerWaalsContact C-N 3.35Å; D30-L32 PolarHBondContact O-N 2.98Å; L32-S35 PolarHBondContact O-OG 2.7Å; L32-Y36 PolarHBondContact O-N 3.47Å; L32-Y36 VanDerWaalsContact O-N 3.13Å |
| 33 | V | 69.1 | Low | 59.7 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.3 | -42 | 170.2 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | A29 Y36 V37 | A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.49Å; A29-V33 PolarHBondContact O-N 3.45Å; V33-Y36 PolarHBondContact O-N 3.33Å; V33-V37 VanDerWaalsContact O-CG2 3.32Å; V33-V37 WeakPolarHBondContact O-CG2 3.49Å; V33-V37 PolarHBondContact O-N 3.45Å |
| 34 | K | 66.7 | Low | 58.5 | Low | 131 Ų | 131 | 108.8 Ų | 108.8 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.4 | -41.3 | 178 | -164.3 | 179.5 | 178.2 | -164.5 | 0 | 112 | D30 A31 Y36 V37 E38 | D30-K34 VanDerWaalsContact O-CB 3.31Å; D30-K34 WeakPolarHBondContact O-CB 3.29Å; D30-K34 PolarHBondContact O-N 3.28Å; A31-K34 PolarHBondContact O-N 3.11Å; K34-Y36 PolarHBondContact O-N 3.02Å; K34-V37 PolarHBondContact O-N 3.44Å; K34-E38 VanDerWaalsContact CE-OE1 3.27Å; K34-E38 WeakPolarHBondContact CE-OE1 3.31Å; K34-E38 IonicContact NZ-OE1 3.96Å; K34-E38 PolarHBondContact O-N 3.05Å |
| 35 | S | 57.9 | Low | 57.6 | Low | 55 Ų | 55 | 111.2 Ų | 111.2 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -38.9 | 176 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | A31 L32 V37 E38 E39 | A31-S35 PolarHBondContact O-N 3.31Å; L32-S35 PolarHBondContact O-OG 2.7Å; S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 PolarHBondContact O-N 3.25Å; S35-E38 PolarHBondContact O-N 2.89Å; S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 2.8Å |
| 36 | Y | 50.7 | Low | 56.8 | Low | 155 Ų | 155 | 115.9 Ų | 115.9 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.1 | -37.1 | 176.1 | -126.4 | -85.5 | 0 | 0 | 0 | 112.2 | L32 V33 K34 T40 | L32-Y36 PolarHBondContact O-N 3.47Å; L32-Y36 VanDerWaalsContact O-N 3.13Å; V33-Y36 PolarHBondContact O-N 3.33Å; K34-Y36 PolarHBondContact O-N 3.02Å; Y36-T40 WeakPolarHBondContact O-CG2 3.32Å; Y36-T40 PolarHBondContact O-N 3.49Å; Y36-T40 PolarHBondContact O-OG1 3.42Å |
| 37 | V | 57.4 | Low | 55 | Low | 77 Ų | 77 | 116.3 Ų | 116.3 | 47% | 0.467 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.1 | -39.9 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | V33 K34 S35 T40 N41 | V33-V37 VanDerWaalsContact O-CG2 3.32Å; V33-V37 WeakPolarHBondContact O-CG2 3.49Å; V33-V37 PolarHBondContact O-N 3.45Å; K34-V37 PolarHBondContact O-N 3.44Å; S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 PolarHBondContact O-N 3.25Å; V37-T40 PolarHBondContact O-N 2.94Å; V37-T40 PolarHBondContact O-OG1 2.96Å; V37-T40 VanDerWaalsContact O-OG1 3.08Å; V37-N41 WeakPolarHBondContact O-CB 3.3Å; V37-N41 PolarHBondContact O-N 2.98Å |
| 38 | E | 54.3 | Low | 53.6 | Low | 104 Ų | 104 | 115.5 Ų | 115.5 | 49% | 0.486 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.1 | -42.9 | 175.8 | -77.4 | 172 | 179.6 | 0 | 0 | 111.7 | K34 S35 T40 N41 E42 | K34-E38 VanDerWaalsContact CE-OE1 3.27Å; K34-E38 WeakPolarHBondContact CE-OE1 3.31Å; K34-E38 IonicContact NZ-OE1 3.96Å; K34-E38 PolarHBondContact O-N 3.05Å; S35-E38 PolarHBondContact O-N 2.89Å; E38-T40 VanDerWaalsContact C-N 3.29Å; E38-T40 PolarHBondContact O-N 3.47Å; E38-N41 PolarHBondContact O-N 2.93Å; E38-N41 VanDerWaalsContact O-N 3.09Å; E38-E42 PolarHBondContact O-N 3.43Å |
| 39 | E | 52.1 | Low | 52 | Low | 153 Ų | 153 | 118.5 Ų | 118.5 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.6 | -29.5 | 177.5 | -166.7 | 176.1 | -178.3 | 0 | 0 | 112.8 | S35 | S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 2.8Å |
| 40 | T | 52.5 | Low | 50.3 | Low | 99 Ų | 99 | 121 Ų | 121 | 61% | 0.607 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82 | -14.4 | 173.6 | 53 | 0 | 0 | 0 | 0 | 114.9 | Y36 V37 E38 | Y36-T40 WeakPolarHBondContact O-CG2 3.32Å; Y36-T40 PolarHBondContact O-N 3.49Å; Y36-T40 PolarHBondContact O-OG1 3.42Å; V37-T40 PolarHBondContact O-N 2.94Å; V37-T40 PolarHBondContact O-OG1 2.96Å; V37-T40 VanDerWaalsContact O-OG1 3.08Å; E38-T40 VanDerWaalsContact C-N 3.29Å; E38-T40 PolarHBondContact O-N 3.47Å |
| 41 | N | 50.5 | Low | 48.5 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -99 | -13.9 | -179.7 | -104.2 | -16.1 | 0 | 0 | 0 | 114.1 | V37 E38 G43 | V37-N41 WeakPolarHBondContact O-CB 3.3Å; V37-N41 PolarHBondContact O-N 2.98Å; E38-N41 PolarHBondContact O-N 2.93Å; E38-N41 VanDerWaalsContact O-N 3.09Å; N41-G43 VanDerWaalsContact C-N 3.26Å; N41-G43 PolarHBondContact O-N 2.94Å |
| 42 | E | 46.8 | Very low | 47.1 | Very low | 170 Ų | 170 | 122.1 Ų | 122.1 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | | | trans | -85.1 | 6.6 | 174.7 | -67.5 | -168.7 | 167.9 | 0 | 0 | 113.8 | E38 N44 | E38-E42 PolarHBondContact O-N 3.43Å; E42-N44 PolarHBondContact O-N 3.29Å |
| 43 | G | 39.4 | Very low | 45.8 | Very low | 53 Ų | 53 | 123.4 Ų | 123.4 | 55% | 0.546 | 68% | 0.68 | S | S | . | * | | | trans | -75 | 24.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | N41 Y45 | N41-G43 VanDerWaalsContact C-N 3.26Å; N41-G43 PolarHBondContact O-N 2.94Å; G43-Y45 PolarHBondContact O-N 3.09Å |
| 44 | N | 36.7 | Very low | 44.1 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | | | trans | -80.3 | 75.2 | 172.6 | -165.4 | 22.5 | 0 | 0 | 0 | 109.6 | E42 Q46 | E42-N44 PolarHBondContact O-N 3.29Å; N44-Q46 VanDerWaalsContact C-N 3.28Å; N44-Q46 PolarHBondContact O-N 3.31Å |
| 45 | Y | 36.4 | Very low | 42.7 | Very low | 218 Ų | 218 | 121.9 Ų | 121.9 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | | | trans | -63.1 | 94.9 | 166.4 | -85.7 | -90.3 | 0 | 0 | 0 | 108.4 | G43 D47 | G43-Y45 PolarHBondContact O-N 3.09Å; Y45-D47 PolarHBondContact O-N 3.45Å |
| 46 | Q | 38.9 | Very low | 41.6 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | trans | -68.5 | 96.9 | 170.1 | -156.1 | 169.5 | -0.2 | 0 | 0 | 107.3 | N44 N48 | N44-Q46 VanDerWaalsContact C-N 3.28Å; N44-Q46 PolarHBondContact O-N 3.31Å; Q46-N48 PolarHBondContact O-N 3.24Å |
| 47 | D | 32.9 | Very low | 41.1 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | | | trans | -41.5 | 104.7 | 164.3 | -93.3 | -38.4 | 0 | 0 | 0 | 109.6 | Y45 | Y45-D47 PolarHBondContact O-N 3.45Š|
| 48 | N | 39.9 | Very low | 40.1 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | | | trans | -159.6 | 101.4 | 164 | -90.8 | -35.1 | 0 | 0 | 0 | 111.8 | Q46 | Q46-N48 PolarHBondContact O-N 3.24Š|
| 49 | N | 35.7 | Very low | 39.2 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 58 | 107.2 | 138.9 | -70.7 | -25.5 | 0 | 0 | 0 | 120.6 | | |
| 50 | A | 30.8 | Very low | 38.4 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | | 62.7 | 102 | 121 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 51 | G | 32.8 | Very low | 37.6 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | 164.3 | 132.8 | 154 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 52 | P | 38.8 | Very low | 37 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 146.3 | 172.6 | 27.8 | -27.4 | 0 | 0 | 0 | 109.5 | G54 | P52-G54 PolarHBondContact O-N 3.02Å; P52-G54 VanDerWaalsContact O-N 3.14Å |
| 53 | P | 41.9 | Very low | 36.3 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 119.4 | -172.2 | 24.9 | -32.2 | 0 | 0 | 0 | 110.3 | | |
| 54 | G | 33.9 | Very low | 36 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 153.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P52 M56 | P52-G54 PolarHBondContact O-N 3.02Å; P52-G54 VanDerWaalsContact O-N 3.14Å; G54-M56 PolarHBondContact O-N 3Å |
| 55 | S | 37.6 | Very low | 35.8 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 125.6 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 56 | M | 34.3 | Very low | 35.4 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135.7 | 176.2 | -156.9 | 161.9 | -172.7 | 0 | 0 | 110.3 | G54 | G54-M56 PolarHBondContact O-N 3Š|
| 57 | P | 39.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.8 | 179.3 | 27.8 | -31.6 | 0 | 0 | 0 | 112.1 | T59 | P57-T59 VanDerWaalsContact C-N 3.3Å; P57-T59 PolarHBondContact O-N 2.88Å |
| 58 | D | 36.9 | Very low | 35 | Very low | 168 Ų | 168 | 134 Ų | 134 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -74.9 | 64.9 | 177.8 | -112.1 | -15.9 | 0 | 0 | 0 | 111.5 | | |
| 59 | T | 34.8 | Very low | 34.7 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | | | trans | -160.3 | 96.9 | 166.2 | -31.9 | 0 | 0 | 0 | 0 | 111.2 | P57 | P57-T59 VanDerWaalsContact C-N 3.3Å; P57-T59 PolarHBondContact O-N 2.88Å |
| 60 | F | 35.2 | Very low | 34.6 | Very low | 201 Ų | 201 | 132.3 Ų | 132.3 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -130.3 | 102.7 | 157.6 | -100.1 | -87.8 | 0 | 0 | 0 | 107.5 | | |
| 61 | E | 37 | Very low | 34.6 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 128.9 | 162.5 | -76.2 | -170.8 | 144.6 | 0 | 0 | 108.5 | A63 | E61-A63 PolarHBondContact O-N 3.28Š|
| 62 | P | 37.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72 | 117.4 | 171.4 | 28.3 | -30.3 | 0 | 0 | 0 | 109.1 | E64 | P62-E64 PolarHBondContact O-N 3Š|
| 63 | A | 32.4 | Very low | 34.2 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | E61 V65 | E61-A63 PolarHBondContact O-N 3.28Å; A63-V65 PolarHBondContact O-N 3.22Å |
| 64 | E | 32.5 | Very low | 33.7 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -62.2 | 113 | 168.6 | -79.6 | -174.7 | 151.6 | 0 | 0 | 109.4 | P62 V66 | P62-E64 PolarHBondContact O-N 3Å; E64-V66 PolarHBondContact O-N 3.42Å |
| 65 | V | 31.8 | Very low | 33.7 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 66% | 0.655 | 81% | 0.809 | S | S | * | * | | | trans | -86.9 | 93.3 | 167.5 | -168.3 | 0 | 0 | 0 | 0 | 107 | A63 F67 | A63-V65 PolarHBondContact O-N 3.22Å; V65-F67 HydrophobicContact CB-CE2 4.23Å; V65-F67 HydrophobicContact CG1-CD2 4.22Å; V65-F67 HydrophobicContact CG1-CE2 3.68Å; V65-F67 HydrophobicContact CG1-CZ 3.9Å; V65-F67 PolarHBondContact O-N 3.36Å |
| 66 | V | 29.7 | Very low | 33.4 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | | | trans | -72.7 | 114.1 | 171.7 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | E64 | E64-V66 PolarHBondContact O-N 3.42Š|
| 67 | F | 32.6 | Very low | 33.3 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 80% | 0.803 | 80% | 0.802 | S | S | * | * | | | trans | -90.4 | 103.6 | 168.7 | -73.3 | -86.3 | 0 | 0 | 0 | 109.1 | V65 S69 | V65-F67 HydrophobicContact CB-CE2 4.23Å; V65-F67 HydrophobicContact CG1-CD2 4.22Å; V65-F67 HydrophobicContact CG1-CE2 3.68Å; V65-F67 HydrophobicContact CG1-CZ 3.9Å; V65-F67 PolarHBondContact O-N 3.36Å; F67-S69 PolarHBondContact O-N 3.1Å; F67-S69 VanDerWaalsContact O-N 3.13Å |
| 68 | E | 30.4 | Very low | 32.8 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | -68.2 | 102.1 | 167.2 | -71.6 | -176.3 | 145.2 | 0 | 0 | 109.6 | S70 | E68-S70 PolarHBondContact O-N 3.29Š|
| 69 | S | 33.6 | Very low | 32.7 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -85.1 | 100.7 | 166.1 | -159.1 | 0 | 0 | 0 | 0 | 108.6 | F67 | F67-S69 PolarHBondContact O-N 3.1Å; F67-S69 VanDerWaalsContact O-N 3.13Å |
| 70 | S | 33.7 | Very low | 32.3 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -72.6 | 124.1 | 174.8 | -73.8 | 0 | 0 | 0 | 0 | 111.4 | E68 | E68-S70 PolarHBondContact O-N 3.29Š|
| 71 | G | 30.3 | Very low | 32.1 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 103.6 | 106.7 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 72 | G | 29.6 | Very low | 31.4 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | 111.6 | 87.2 | 131 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 73 | S | 34.3 | Very low | 31.2 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | | 170.1 | 127 | 112.7 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 74 | D | 31.3 | Very low | 31.1 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -59.8 | 137.4 | 176.6 | -54.3 | -68.2 | 0 | 0 | 0 | 112 | | |
| 75 | F | 33.5 | Very low | 30.9 | Very low | 219 Ų | 219 | 134.1 Ų | 134.1 | 96% | 0.961 | 81% | 0.805 | S | S | * | * | | | trans | -169.5 | 133.5 | 133.8 | -95 | -67.9 | 0 | 0 | 0 | 110.4 | | |
| 76 | S | 31.3 | Very low | 31 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -81.4 | 152.7 | -166.4 | -160.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 77 | P | 31.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | | | trans | -103.7 | 146.6 | -177 | 37.6 | -29.8 | 0 | 0 | 0 | 114.3 | | |
| 78 | S | 29.5 | Very low | 31.4 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | 166.5 | 166.5 | 154.1 | -90 | 0 | 0 | 0 | 0 | 112.4 | | |
| 79 | P | 34.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | | -133.4 | -174.7 | -65.7 | 34.2 | -11.6 | 0 | 0 | 0 | 112.7 | | |
| 80 | H | 25.8 | Very low | 31.7 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | trans | -40.4 | 146.9 | -176.5 | -80.9 | -72.3 | 0 | 0 | 0 | 120.4 | | |
| 81 | V | 31.3 | Very low | 31.9 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -130.8 | 133.8 | 160.1 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | F83 | V81-F83 HydrophobicContact CG1-CD2 3.62Å; V81-F83 HydrophobicContact CG1-CE2 3.37Å; V81-F83 HydrophobicContact CG1-CZ 4.43Å |
| 82 | Q | 23.8 | Very low | 32.3 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -120.9 | 132.4 | -178.2 | -162.7 | 173.3 | 31.6 | 0 | 0 | 107.4 | | |
| 83 | F | 31.5 | Very low | 32.3 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | trans | -138.7 | 144.6 | 168 | -79.5 | -73 | 0 | 0 | 0 | 112.2 | V81 | V81-F83 HydrophobicContact CG1-CD2 3.62Å; V81-F83 HydrophobicContact CG1-CE2 3.37Å; V81-F83 HydrophobicContact CG1-CZ 4.43Å |
| 84 | P | 31.1 | Very low | 32.2 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -99.3 | 169.9 | -158.7 | 37.5 | -28 | 0 | 0 | 0 | 113.8 | | |
| 85 | G | 28 | Very low | 32 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | -83.6 | -178.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 86 | D | 34.3 | Very low | 32 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -165.6 | 120.9 | 153.3 | -129.3 | -17.8 | 0 | 0 | 0 | 111.1 | | |
| 87 | N | 35.1 | Very low | 31.9 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | 37.5 | 143 | 143.1 | -66.7 | -44.1 | 0 | 0 | 0 | 125.1 | | |
| 88 | D | 36 | Very low | 31.9 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -53.6 | 144 | 173.1 | -53.7 | -77.9 | 0 | 0 | 0 | 115.4 | | |
| 89 | D | 35.4 | Very low | 32.2 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | 176.7 | 104.8 | 130.7 | -90.4 | -31.4 | 0 | 0 | 0 | 113.1 | | |
| 90 | K | 33.6 | Very low | 32.1 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | 50.5 | 133.4 | 140.7 | -145.9 | 171.1 | -175.8 | -175.1 | 0 | 123.4 | | |
| 91 | P | 38.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | -99.5 | -156.6 | -177.9 | 46.4 | -39.9 | 0 | 0 | 0 | 111.5 | | |
| 92 | P | 39.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | cis | -140.7 | -149 | -0.1 | 39 | -14.5 | 0 | 0 | 0 | 114 | | |
| 93 | L | 29 | Very low | 32.2 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | 100.3 | 119.9 | 171.8 | -131.7 | 78.5 | 0 | 0 | 0 | 112.6 | | |
| 94 | I | 33.4 | Very low | 32.5 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | | -167.3 | 145.1 | 58.7 | -72.6 | 153.1 | 0 | 0 | 0 | 108.9 | | |
| 95 | D | 26.7 | Very low | 32.6 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -110.8 | 140.5 | 168.6 | -157.4 | 14.1 | 0 | 0 | 0 | 108.4 | | |
| 96 | P | 32.6 | Very low | 32.7 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | | | trans | -142.4 | 142.2 | 131.7 | 35.7 | -20.4 | 0 | 0 | 0 | 110.1 | | |
| 97 | L | 29.6 | Very low | 32.7 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | | -178.5 | 110.5 | 70.2 | -163.2 | 76.7 | 0 | 0 | 0 | 107.3 | | |
| 98 | F | 31.7 | Very low | 32.5 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | -72.7 | 125.6 | 157.8 | -85.7 | -99.1 | 0 | 0 | 0 | 107.9 | | |
| 99 | E | 34.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -137.9 | 98.3 | 158.5 | -150 | 168.9 | -171.3 | 0 | 0 | 110.1 | | |
| 100 | H | 33.2 | Very low | 32.2 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | | | trans | 46.9 | 106.4 | 143.8 | -69.5 | -66.6 | 0 | 0 | 0 | 121.7 | | |
| 101 | V | 26 | Very low | 32.2 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -71.8 | 139.7 | 141.5 | 174.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 102 | P | 30.4 | Very low | 32 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | | -145.9 | 157.9 | 107.1 | 31.2 | -10.6 | 0 | 0 | 0 | 116.4 | | |
| 103 | T | 27.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | | | trans | -68.8 | 140.5 | 176.9 | -42.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 104 | E | 36.4 | Very low | 31.9 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -129.7 | 107.4 | 154.4 | -73.1 | -171.7 | 147.5 | 0 | 0 | 106.2 | | |
| 105 | T | 33.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | | 51.5 | 103.6 | 77.7 | 59.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 106 | T | 29.7 | Very low | 32 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | 34.8 | 120.3 | 131.7 | -35.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 107 | E | 35.8 | Very low | 31.8 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -165.8 | 132.7 | 130.9 | -106.5 | 168 | -158.6 | 0 | 0 | 112.4 | | |
| 108 | D | 29.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | -55 | 143.3 | 175.2 | -67.2 | -61.7 | 0 | 0 | 0 | 112.9 | | |
| 109 | N | 34.2 | Very low | 32.2 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -153 | 93.8 | 148.3 | -89.9 | -45.4 | 0 | 0 | 0 | 110.8 | | |
| 110 | L | 31.4 | Very low | 32 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -45.3 | 144.6 | 147.2 | -98.5 | 85.4 | 0 | 0 | 0 | 109.6 | | |
| 111 | V | 33.6 | Very low | 32.3 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | | 179.1 | 127.7 | 123.7 | 152.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 112 | A | 33.7 | Very low | 32.7 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 72.3 | 82.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 113 | T | 29.5 | Very low | 32.7 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | | | trans | -51.7 | 127.7 | 134.3 | 7.4 | 0 | 0 | 0 | 0 | 111 | | |
| 114 | K | 37.2 | Very low | 33.1 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -121.8 | 99.7 | 164.7 | -151.6 | 177.1 | -173.6 | -179.3 | 0 | 109.3 | | |
| 115 | Q | 28.7 | Very low | 33 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -75.3 | 133.8 | 170.9 | -178.1 | 175.4 | -4.4 | 0 | 0 | 109.1 | D117 | Q115-D117 PolarHBondContact NE2-OD2 2.83Š|
| 116 | I | 33.6 | Very low | 33.2 | Very low | 141 Ų | 141 | 139 Ų | 139 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | | | trans | -126.5 | 101.8 | 164.7 | -62.4 | 175.7 | 0 | 0 | 0 | 106.4 | I118 | I116-I118 HydrophobicContact CG2-CD1 4.42Å; I116-I118 HydrophobicContact CG2-CG1 4.22Å |
| 117 | D | 28.5 | Very low | 33.6 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | | | trans | -83.6 | 128.4 | 163.9 | -89.3 | -50.4 | 0 | 0 | 0 | 108.8 | Q115 | Q115-D117 PolarHBondContact NE2-OD2 2.83Š|
| 118 | I | 35.8 | Very low | 33.3 | Very low | 157 Ų | 157 | 138 Ų | 138 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -140.2 | 111.7 | 155 | -51.9 | 179 | 0 | 0 | 0 | 109.5 | I116 | I116-I118 HydrophobicContact CG2-CD1 4.42Å; I116-I118 HydrophobicContact CG2-CG1 4.22Å |
| 119 | T | 32.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | -66.8 | 147.7 | 178.1 | -45.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 120 | P | 32 | Very low | 33.4 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -94.2 | 138.1 | 177.7 | 35.7 | -29.7 | 0 | 0 | 0 | 112.4 | | |
| 121 | A | 38 | Very low | 33.7 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -135.6 | 104.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 122 | A | 35 | Very low | 33.6 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | | | | 82.8 | 100.5 | 83 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 123 | H | 31.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | trans | 54.1 | 113 | 139.8 | -44.7 | -62.7 | 0 | 0 | 0 | 121.2 | | |
| 124 | V | 34.8 | Very low | 34.1 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | -155.2 | 123.8 | 132.3 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | L126 | V124-L126 HydrophobicContact CG1-CD1 4.48Š|
| 125 | P | 34.6 | Very low | 34 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -110.9 | 142.2 | 163 | 35.3 | -24.2 | 0 | 0 | 0 | 111.1 | | |
| 126 | L | 37.7 | Very low | 34.2 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -166.2 | 114.4 | 159.1 | -94.5 | 129.4 | 0 | 0 | 0 | 113.5 | V124 | V124-L126 HydrophobicContact CG1-CD1 4.48Š|
| 127 | I | 37.1 | Very low | 34.3 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | | 79 | 123.8 | 128.4 | -57.8 | -172.4 | 0 | 0 | 0 | 122.5 | | |
| 128 | L | 30.8 | Very low | 34.6 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -57.7 | 147.8 | 166.8 | -165.3 | 83.3 | 0 | 0 | 0 | 115.2 | | |
| 129 | S | 34.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -158.1 | 130.5 | 140.9 | -129.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 130 | T | 30.2 | Very low | 34.9 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | -84.5 | 155.1 | -177.6 | 41.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 131 | G | 38.5 | Very low | 35.3 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | | | trans | -172.6 | 105.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 132 | F | 31.6 | Very low | 35.2 | Very low | 185 Ų | 185 | 137 Ų | 137 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -64.6 | 151.3 | 175.2 | -91.4 | -110.3 | 0 | 0 | 0 | 113.7 | | |
| 133 | N | 39.5 | Very low | 35.4 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | | 179.5 | 137.2 | 112.9 | -87 | -17.1 | 0 | 0 | 0 | 113.8 | | |
| 134 | E | 33.4 | Very low | 35.7 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -62.9 | 148.5 | 177.1 | -73 | 163.5 | 104.9 | 0 | 0 | 114.5 | | |
| 135 | S | 36 | Very low | 35.8 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | -160.5 | 121.5 | 127.2 | -155.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 136 | A | 32.6 | Very low | 36 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | trans | -86.7 | 134.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 137 | T | 36.3 | Very low | 35.9 | Very low | 139 Ų | 139 | 140 Ų | 140 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -159.4 | 116 | 148.9 | 4.1 | 0 | 0 | 0 | 0 | 111 | | |
| 138 | H | 33.7 | Very low | 36.2 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | | | trans | -50 | 127.7 | 165.1 | -99.9 | -103.4 | 0 | 0 | 0 | 111.5 | | |
| 139 | S | 41 | Very low | 36.4 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -157.7 | 130.2 | 139.9 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | K141 | S139-K141 PolarHBondContact O-N 3.21Š|
| 140 | N | 34.7 | Very low | 36.7 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | | | trans | -70.1 | 113.5 | 178.4 | -60.6 | -52.2 | 0 | 0 | 0 | 110.3 | | |
| 141 | K | 39.8 | Very low | 37.4 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | trans | -167.1 | 137.5 | 144.5 | -139.4 | 145 | 178.7 | 168.1 | 0 | 109.1 | S139 D143 | S139-K141 PolarHBondContact O-N 3.21Å; K141-D143 PolarHBondContact O-N 2.79Å |
| 142 | A | 37.3 | Very low | 37.4 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | | | trans | -44.1 | 125 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 143 | D | 38.2 | Very low | 37.8 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | | -170.5 | 135.6 | 128 | -84.5 | -29.2 | 0 | 0 | 0 | 108.8 | K141 D145 | K141-D143 PolarHBondContact O-N 2.79Å; D143-D145 PolarHBondContact O-N 3.5Å |
| 144 | S | 38.4 | Very low | 38 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -57.6 | 103.9 | -178.2 | 35.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 145 | D | 36.6 | Very low | 38.3 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -147.9 | 72.7 | 166.6 | -86.8 | -33 | 0 | 0 | 0 | 110.7 | D143 L147 | D143-D145 PolarHBondContact O-N 3.5Å; D145-L147 PolarHBondContact O-N 3.49Å |
| 146 | S | 38.9 | Very low | 38.5 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -81.1 | 97.9 | 161.5 | 63.7 | 0 | 0 | 0 | 0 | 108.7 | A148 | S146-A148 PolarHBondContact O-N 3.13Š|
| 147 | L | 34.9 | Very low | 39 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | -49.8 | 94.2 | 166.6 | -86.9 | 148.2 | 0 | 0 | 0 | 110.9 | D145 L149 | D145-L147 PolarHBondContact O-N 3.49Å; L147-L149 PolarHBondContact O-N 3.21Å |
| 148 | A | 42.8 | Very low | 39.4 | Very low | 81 Ų | 81 | 143.6 Ų | 143.6 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | | | trans | -84 | 107.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S146 R150 | S146-A148 PolarHBondContact O-N 3.13Å; A148-R150 PolarHBondContact O-N 3.11Å |
| 149 | L | 36.2 | Very low | 39.6 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | -59.9 | 96.2 | 171.7 | -154.3 | 137.1 | 0 | 0 | 0 | 108.2 | L147 E151 | L147-L149 PolarHBondContact O-N 3.21Å; L149-E151 PolarHBondContact O-N 2.85Å |
| 150 | R | 40.8 | Very low | 40 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | | | trans | -80 | 99.6 | 176.8 | -82.6 | -175.9 | 175.8 | -149.9 | -4 | 108.3 | A148 L152 | A148-R150 PolarHBondContact O-N 3.11Å; R150-L152 PolarHBondContact O-N 3.27Å |
| 151 | E | 43.9 | Very low | 40.7 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | -75.5 | 113.8 | 164.8 | -153.4 | 169.3 | -165.7 | 0 | 0 | 108.6 | L149 L153 | L149-E151 PolarHBondContact O-N 2.85Å; E151-L153 PolarHBondContact O-N 2.85Å; E151-L153 VanDerWaalsContact O-N 3.16Å |
| 152 | L | 38.3 | Very low | 40.9 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -69.8 | 96.3 | 177.2 | -83 | 135.1 | 0 | 0 | 0 | 109.2 | R150 | R150-L152 PolarHBondContact O-N 3.27Š|
| 153 | L | 41 | Very low | 41 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | | | trans | -98.1 | 127.3 | 159.4 | -85.5 | 109.3 | 0 | 0 | 0 | 110.4 | E151 D155 | E151-L153 PolarHBondContact O-N 2.85Å; E151-L153 VanDerWaalsContact O-N 3.16Å; L153-D155 VanDerWaalsContact C-N 3.28Å; L153-D155 PolarHBondContact O-N 2.96Å |
| 154 | T | 42.2 | Very low | 41.2 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -66.6 | 74.7 | 178.1 | 42 | 0 | 0 | 0 | 0 | 111.2 | | |
| 155 | D | 40.3 | Very low | 41.8 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -163 | 131 | 147.8 | -124.3 | -24 | 0 | 0 | 0 | 108.5 | L153 S157 | L153-D155 VanDerWaalsContact C-N 3.28Å; L153-D155 PolarHBondContact O-N 2.96Å; D155-S157 PolarHBondContact O-N 2.94Å |
| 156 | G | 41.3 | Very low | 42.5 | Very low | 82 Ų | 82 | 147.7 Ų | 147.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -69.7 | 35.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E158 | G156-E158 PolarHBondContact O-N 3.36Š|
| 157 | S | 42.2 | Very low | 43.4 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -79 | 108.4 | 176.3 | 87.2 | 0 | 0 | 0 | 0 | 109.5 | D155 R159 | D155-S157 PolarHBondContact O-N 2.94Å; S157-R159 PolarHBondContact O-N 3.02Å |
| 158 | E | 44.4 | Very low | 44.6 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -44.8 | 134.8 | 173.2 | -65.3 | 177.5 | 151.4 | 0 | 0 | 112.1 | G156 R160 | G156-E158 PolarHBondContact O-N 3.36Å; E158-R160 PolarHBondContact O-N 3.49Å |
| 159 | R | 39 | Very low | 45.4 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | | | trans | -49.6 | 100.8 | 176.1 | -65.2 | 166.8 | 166 | -139.1 | -20.4 | 110.9 | S157 | S157-R159 PolarHBondContact O-N 3.02Š|
| 160 | R | 49.2 | Very low | 46.5 | Very low | 234 Ų | 234 | 135.7 Ų | 135.7 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | | | trans | -77 | 121 | 160.4 | -72 | -170.3 | 178.9 | -159 | 0.1 | 108.3 | E158 L162 | E158-R160 PolarHBondContact O-N 3.49Å; R160-L162 PolarHBondContact O-N 2.92Å; R160-L162 VanDerWaalsContact O-N 3.11Å |
| 161 | P | 48.8 | Very low | 48 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | | | trans | -63.6 | 116.6 | 174.8 | 26.2 | -31 | 0 | 0 | 0 | 108.7 | G163 | P161-G163 PolarHBondContact O-N 3.29Š|
| 162 | L | 44.8 | Very low | 49.5 | Very low | 191 Ų | 191 | 128 Ų | 128 | 100% | 1 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -61.7 | 85.5 | 157.4 | -77.1 | 154 | 0 | 0 | 0 | 107 | R160 | R160-L162 PolarHBondContact O-N 2.92Å; R160-L162 VanDerWaalsContact O-N 3.11Å |
| 163 | G | 39.3 | Very low | 51.5 | Low | 61 Ų | 61 | 123.2 Ų | 123.2 | 63% | 0.629 | 68% | 0.684 | S | S | * | * | | | trans | 166.6 | 45.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P161 | P161-G163 PolarHBondContact O-N 3.29Š|
| 164 | Y | 41.3 | Very low | 53.4 | Low | 211 Ų | 211 | 119.6 Ų | 119.6 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | | | trans | -152.7 | 90.8 | 156.3 | -142.8 | -99 | 0 | 0 | 0 | 107.4 | D166 | Y164-D166 PolarHBondContact O-N 3.49Å; Y164-D166 VanDerWaalsContact O-N 3.16Å |
| 165 | L | 50.8 | Low | 55.4 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 71% | 0.707 | 65% | 0.654 | S | S | * | * | | | trans | -68.5 | 107.3 | 169.9 | -87.4 | 139.6 | 0 | 0 | 0 | 106.8 | L170 | L165-L170 HydrophobicContact CD2-CD1 4.49Š|
| 166 | D | 51 | Low | 57.6 | Low | 109 Ų | 109 | 115 Ų | 115 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | | | trans | -49.7 | 125.6 | 169.5 | -97.6 | -29.7 | 0 | 0 | 0 | 109.1 | Y164 G168 S169 L170 | Y164-D166 PolarHBondContact O-N 3.49Å; Y164-D166 VanDerWaalsContact O-N 3.16Å; D166-G168 PolarHBondContact O-N 3.13Å; D166-S169 PolarHBondContact O-N 3.34Å; D166-L170 PolarHBondContact O-N 3.48Å |
| 167 | P | 57.9 | Low | 59.9 | Low | 98 Ų | 98 | 115 Ų | 115 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -58.9 | -25.3 | -179.8 | 21.3 | -30.9 | 0 | 0 | 0 | 111.9 | T171 | P167-T171 WeakPolarHBondContact O-CG2 3.26Å; P167-T171 PolarHBondContact O-N 2.9Å; P167-T171 PolarHBondContact O-OG1 3.03Å |
| 168 | G | 60.6 | Low | 62.2 | Low | 46 Ų | 46 | 114.8 Ų | 114.8 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.4 | -28.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D166 T171 L172 | D166-G168 PolarHBondContact O-N 3.13Å; G168-T171 WeakPolarHBondContact CA-OG1 3.49Å; G168-T171 PolarHBondContact O-OG1 3.08Å; G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.33Å; G168-L172 PolarHBondContact O-N 2.94Å; G168-L172 VanDerWaalsContact O-N 3.1Å |
| 169 | S | 61.1 | Low | 64.4 | Low | 61 Ų | 61 | 108.3 Ų | 108.3 | 43% | 0.427 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -78.2 | -37.1 | 179.5 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | D166 L172 T173 | D166-S169 PolarHBondContact O-N 3.34Å; S169-L172 PolarHBondContact O-N 3.48Å; S169-T173 WeakPolarHBondContact O-CG2 3.5Å; S169-T173 PolarHBondContact O-N 3.2Å; S169-T173 PolarHBondContact O-OG1 3.21Å |
| 170 | L | 59.1 | Low | 67 | Low | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.8 | -37.2 | 176.8 | -156.5 | 144.1 | 0 | 0 | 0 | 111.3 | L165 D166 T173 T174 | L165-L170 HydrophobicContact CD2-CD1 4.49Å; D166-L170 PolarHBondContact O-N 3.48Å; L170-T173 WeakPolarHBondContact CA-OG1 3.33Å; L170-T173 PolarHBondContact O-OG1 3.5Å; L170-T173 VanDerWaalsContact O-OG1 3.1Å; L170-T174 HydrophobicContact CD2-CG2 4.1Å; L170-T174 WeakPolarHBondContact O-CB 3.36Å; L170-T174 WeakPolarHBondContact O-CG2 3.32Å; L170-T174 PolarHBondContact O-N 2.91Å; L170-T174 PolarHBondContact O-OG1 3.34Å |
| 171 | T | 71.1 | Confident | 69 | Low | 81 Ų | 81 | 96.9 Ų | 96.9 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.2 | -39.7 | 171.5 | 52.8 | 0 | 0 | 0 | 0 | 112 | P167 G168 T174 V175 | P167-T171 WeakPolarHBondContact O-CG2 3.26Å; P167-T171 PolarHBondContact O-N 2.9Å; P167-T171 PolarHBondContact O-OG1 3.03Å; G168-T171 WeakPolarHBondContact CA-OG1 3.49Å; G168-T171 PolarHBondContact O-OG1 3.08Å; T171-T174 WeakPolarHBondContact CA-OG1 3.32Å; T171-T174 PolarHBondContact O-OG1 3.33Å; T171-V175 VanDerWaalsContact O-CB 3.32Å; T171-V175 WeakPolarHBondContact O-CB 3.39Å; T171-V175 WeakPolarHBondContact O-CG2 3.43Å; T171-V175 PolarHBondContact O-N 2.95Å |
| 172 | L | 75.6 | Confident | 71.1 | Confident | 104 Ų | 104 | 97.5 Ų | 97.5 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.1 | -45.1 | -179.7 | -176.5 | 142.6 | 0 | 0 | 0 | 111.8 | G168 S169 V175 I176 | G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.33Å; G168-L172 PolarHBondContact O-N 2.94Å; G168-L172 VanDerWaalsContact O-N 3.1Å; S169-L172 PolarHBondContact O-N 3.48Å; L172-V175 PolarHBondContact O-N 3.08Å; L172-I176 HydrophobicContact CD2-CD1 3.46Å; L172-I176 VanDerWaalsContact CD2-CD1 3.46Å; L172-I176 HydrophobicContact CD2-CG1 4.46Å; L172-I176 HydrophobicContact CG-CD1 4.19Å; L172-I176 VanDerWaalsContact O-CG1 3.26Å; L172-I176 WeakPolarHBondContact O-CG1 3.27Å; L172-I176 PolarHBondContact O-N 2.78Å |
| 173 | T | 80 | Confident | 73.3 | Confident | 69 Ų | 69 | 94.3 Ų | 94.3 | 42% | 0.423 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 177 | 49.6 | 0 | 0 | 0 | 0 | 112 | S169 L170 I176 V177 | S169-T173 WeakPolarHBondContact O-CG2 3.5Å; S169-T173 PolarHBondContact O-N 3.2Å; S169-T173 PolarHBondContact O-OG1 3.21Å; L170-T173 WeakPolarHBondContact CA-OG1 3.33Å; L170-T173 PolarHBondContact O-OG1 3.5Å; L170-T173 VanDerWaalsContact O-OG1 3.1Å; T173-I176 PolarHBondContact O-N 3.44Å; T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.22Å; T173-V177 PolarHBondContact O-N 3.32Å |
| 174 | T | 81.6 | Confident | 75.9 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 41% | 0.405 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | L170 T171 I176 V177 V178 | L170-T174 HydrophobicContact CD2-CG2 4.1Å; L170-T174 WeakPolarHBondContact O-CB 3.36Å; L170-T174 WeakPolarHBondContact O-CG2 3.32Å; L170-T174 PolarHBondContact O-N 2.91Å; L170-T174 PolarHBondContact O-OG1 3.34Å; T171-T174 WeakPolarHBondContact CA-OG1 3.32Å; T171-T174 PolarHBondContact O-OG1 3.33Å; T174-I176 VanDerWaalsContact C-N 3.34Å; T174-I176 PolarHBondContact O-N 3.37Å; T174-V177 PolarHBondContact O-N 3.3Å; T174-V178 VanDerWaalsContact O-CG2 3.29Å; T174-V178 WeakPolarHBondContact O-CG2 3.38Å; T174-V178 PolarHBondContact O-N 2.98Å |
| 175 | V | 84.9 | Confident | 78.3 | Confident | 97 Ų | 97 | 90.4 Ų | 90.4 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | T171 L172 V178 A179 | T171-V175 VanDerWaalsContact O-CB 3.32Å; T171-V175 WeakPolarHBondContact O-CB 3.39Å; T171-V175 WeakPolarHBondContact O-CG2 3.43Å; T171-V175 PolarHBondContact O-N 2.95Å; L172-V175 PolarHBondContact O-N 3.08Å; V175-V178 PolarHBondContact O-N 3.48Å; V175-A179 WeakPolarHBondContact O-CB 3.32Å; V175-A179 PolarHBondContact O-N 3.09Å |
| 176 | I | 86.7 | Confident | 80.3 | Confident | 92 Ų | 92 | 87.8 Ų | 87.8 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.1 | -69.4 | 169.1 | 0 | 0 | 0 | 110.8 | L172 T173 T174 V178 A179 V180 | L172-I176 HydrophobicContact CD2-CD1 3.46Å; L172-I176 VanDerWaalsContact CD2-CD1 3.46Å; L172-I176 HydrophobicContact CD2-CG1 4.46Å; L172-I176 HydrophobicContact CG-CD1 4.19Å; L172-I176 VanDerWaalsContact O-CG1 3.26Å; L172-I176 WeakPolarHBondContact O-CG1 3.27Å; L172-I176 PolarHBondContact O-N 2.78Å; T173-I176 PolarHBondContact O-N 3.44Å; T174-I176 VanDerWaalsContact C-N 3.34Å; T174-I176 PolarHBondContact O-N 3.37Å; I176-V178 VanDerWaalsContact C-N 3.35Å; I176-V178 PolarHBondContact O-N 2.73Å; I176-A179 PolarHBondContact O-N 3.23Å; I176-V180 HydrophobicContact CG2-CG2 4.4Å; I176-V180 VanDerWaalsContact O-CG2 3.31Å; I176-V180 WeakPolarHBondContact O-CG2 3.11Å; I176-V180 PolarHBondContact O-N 3.13Å |
| 177 | V | 89.4 | Confident | 82.2 | Confident | 84 Ų | 84 | 87.1 Ų | 87.1 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 178.9 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | T173 T174 A179 V180 I181 | T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.22Å; T173-V177 PolarHBondContact O-N 3.32Å; T174-V177 PolarHBondContact O-N 3.3Å; V177-A179 PolarHBondContact O-N 3.32Å; V177-V180 PolarHBondContact O-N 3.28Å; V177-I181 HydrophobicContact CG1-CD1 3.86Å; V177-I181 VanDerWaalsContact O-CG1 3.3Å; V177-I181 WeakPolarHBondContact O-CG1 3.46Å; V177-I181 PolarHBondContact O-N 3.01Å |
| 178 | V | 90.3 | Very high | 83.7 | Confident | 98 Ų | 98 | 84 Ų | 84 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | T174 V175 I176 V180 I181 F182 | T174-V178 VanDerWaalsContact O-CG2 3.29Å; T174-V178 WeakPolarHBondContact O-CG2 3.38Å; T174-V178 PolarHBondContact O-N 2.98Å; V175-V178 PolarHBondContact O-N 3.48Å; I176-V178 VanDerWaalsContact C-N 3.35Å; I176-V178 PolarHBondContact O-N 2.73Å; V178-V180 PolarHBondContact O-N 3.08Å; V178-I181 PolarHBondContact O-N 3.11Å; V178-F182 WeakPolarHBondContact O-CB 3.32Å; V178-F182 PolarHBondContact O-N 3.43Å |
| 179 | A | 89.3 | Confident | 85.1 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V175 I176 V177 F182 M183 | V175-A179 WeakPolarHBondContact O-CB 3.32Å; V175-A179 PolarHBondContact O-N 3.09Å; I176-A179 PolarHBondContact O-N 3.23Å; V177-A179 PolarHBondContact O-N 3.32Å; A179-F182 PolarHBondContact O-N 3.32Å; A179-M183 VanDerWaalsContact O-CG 3.31Å; A179-M183 WeakPolarHBondContact O-CG 3.48Å; A179-M183 PolarHBondContact O-N 2.92Å |
| 180 | V | 93.3 | Very high | 86.4 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 111 | I176 V177 V178 F182 M183 L184 | I176-V180 HydrophobicContact CG2-CG2 4.4Å; I176-V180 VanDerWaalsContact O-CG2 3.31Å; I176-V180 WeakPolarHBondContact O-CG2 3.11Å; I176-V180 PolarHBondContact O-N 3.13Å; V177-V180 PolarHBondContact O-N 3.28Å; V178-V180 PolarHBondContact O-N 3.08Å; V180-F182 VanDerWaalsContact C-N 3.31Å; V180-F182 PolarHBondContact O-N 3.24Å; V180-M183 PolarHBondContact O-N 3.21Å; V180-L184 HydrophobicContact CG1-CD1 4.15Å; V180-L184 WeakPolarHBondContact O-CG 3.43Å; V180-L184 PolarHBondContact O-N 2.86Å |
| 181 | I | 92.2 | Very high | 87.8 | Confident | 98 Ų | 98 | 89.1 Ų | 89.1 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.3 | -66.1 | 166 | 0 | 0 | 0 | 110.9 | V177 V178 L184 S185 | V177-I181 HydrophobicContact CG1-CD1 3.86Å; V177-I181 VanDerWaalsContact O-CG1 3.3Å; V177-I181 WeakPolarHBondContact O-CG1 3.46Å; V177-I181 PolarHBondContact O-N 3.01Å; V178-I181 PolarHBondContact O-N 3.11Å; I181-L184 PolarHBondContact O-N 3.44Å; I181-S185 WeakPolarHBondContact O-CB 3.43Å; I181-S185 PolarHBondContact O-N 3.29Å; I181-S185 PolarHBondContact O-OG 2.79Å |
| 182 | F | 92.9 | Very high | 88.5 | Confident | 127 Ų | 127 | 89.6 Ų | 89.6 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 176.6 | -174.8 | -104.5 | 0 | 0 | 0 | 111.9 | V178 A179 V180 S185 L186 | V178-F182 WeakPolarHBondContact O-CB 3.32Å; V178-F182 PolarHBondContact O-N 3.43Å; A179-F182 PolarHBondContact O-N 3.32Å; V180-F182 VanDerWaalsContact C-N 3.31Å; V180-F182 PolarHBondContact O-N 3.24Å; F182-S185 WeakPolarHBondContact O-CB 3.31Å; F182-S185 PolarHBondContact O-N 3.38Å; F182-L186 HydrophobicContact CD1-CD1 3.9Å; F182-L186 HydrophobicContact CD1-CG 4.39Å; F182-L186 HydrophobicContact CE1-CD1 3.42Å; F182-L186 VanDerWaalsContact CE1-CD1 3.42Å; F182-L186 HydrophobicContact CE1-CG 4.05Å; F182-L186 HydrophobicContact CZ-CD1 3.95Å; F182-L186 HydrophobicContact CZ-CD2 4.36Å; F182-L186 HydrophobicContact CZ-CG 4.21Å; F182-L186 PolarHBondContact O-N 3.28Å |
| 183 | M | 91.5 | Very high | 88.8 | Confident | 123 Ų | 123 | 88.6 Ų | 88.6 | 61% | 0.606 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 176.7 | -71.6 | -64.3 | -115.7 | 0 | 0 | 112.1 | A179 V180 S185 L186 V187 | A179-M183 VanDerWaalsContact O-CG 3.31Å; A179-M183 WeakPolarHBondContact O-CG 3.48Å; A179-M183 PolarHBondContact O-N 2.92Å; V180-M183 PolarHBondContact O-N 3.21Å; M183-S185 VanDerWaalsContact C-N 3.27Å; M183-S185 PolarHBondContact O-N 3.42Å; M183-L186 PolarHBondContact O-N 2.9Å; M183-V187 VanDerWaalsContact O-CG2 3.32Å; M183-V187 WeakPolarHBondContact O-CG2 3.39Å; M183-V187 PolarHBondContact O-N 3.49Å |
| 184 | L | 94 | Very high | 88.9 | Confident | 120 Ų | 120 | 89.7 Ų | 89.7 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -37.8 | 174.4 | -70.7 | 173.2 | 0 | 0 | 0 | 111.9 | V180 I181 V187 G188 | V180-L184 HydrophobicContact CG1-CD1 4.15Å; V180-L184 WeakPolarHBondContact O-CG 3.43Å; V180-L184 PolarHBondContact O-N 2.86Å; I181-L184 PolarHBondContact O-N 3.44Å; L184-V187 PolarHBondContact O-N 2.84Å; L184-G188 PolarHBondContact O-N 3.27Å |
| 185 | S | 91.9 | Very high | 88.9 | Confident | 70 Ų | 70 | 92 Ų | 92 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | I181 F182 M183 G188 L189 | I181-S185 WeakPolarHBondContact O-CB 3.43Å; I181-S185 PolarHBondContact O-N 3.29Å; I181-S185 PolarHBondContact O-OG 2.79Å; F182-S185 WeakPolarHBondContact O-CB 3.31Å; F182-S185 PolarHBondContact O-N 3.38Å; M183-S185 VanDerWaalsContact C-N 3.27Å; M183-S185 PolarHBondContact O-N 3.42Å; S185-G188 PolarHBondContact O-N 3.33Å; S185-L189 WeakPolarHBondContact O-CB 3.29Å; S185-L189 PolarHBondContact O-N 3.48Å |
| 186 | L | 91.3 | Very high | 88.6 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.2 | -73.5 | 178.8 | 0 | 0 | 0 | 112 | F182 M183 L189 S190 | F182-L186 HydrophobicContact CD1-CD1 3.9Å; F182-L186 HydrophobicContact CD1-CG 4.39Å; F182-L186 HydrophobicContact CE1-CD1 3.42Å; F182-L186 VanDerWaalsContact CE1-CD1 3.42Å; F182-L186 HydrophobicContact CE1-CG 4.05Å; F182-L186 HydrophobicContact CZ-CD1 3.95Å; F182-L186 HydrophobicContact CZ-CD2 4.36Å; F182-L186 HydrophobicContact CZ-CG 4.21Å; F182-L186 PolarHBondContact O-N 3.28Å; M183-L186 PolarHBondContact O-N 2.9Å; L186-L189 PolarHBondContact O-N 2.79Å; L186-S190 WeakPolarHBondContact O-CB 3.36Å; L186-S190 PolarHBondContact O-N 3.46Å |
| 187 | V | 91.4 | Very high | 88 | Confident | 95 Ų | 95 | 93.5 Ų | 93.5 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | M183 L184 L189 S190 F191 | M183-V187 VanDerWaalsContact O-CG2 3.32Å; M183-V187 WeakPolarHBondContact O-CG2 3.39Å; M183-V187 PolarHBondContact O-N 3.49Å; L184-V187 PolarHBondContact O-N 2.84Å; V187-L189 PolarHBondContact O-N 2.88Å; V187-S190 PolarHBondContact O-N 3.32Å; V187-S190 PolarHBondContact O-OG 2.85Å; V187-F191 PolarHBondContact O-N 3.29Å |
| 188 | G | 90.4 | Very high | 87.1 | Confident | 32 Ų | 32 | 98.5 Ų | 98.5 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L184 S185 F191 L192 | L184-G188 PolarHBondContact O-N 3.27Å; S185-G188 PolarHBondContact O-N 3.33Å; G188-F191 PolarHBondContact O-N 3.45Å; G188-L192 WeakPolarHBondContact O-CB 3.36Å; G188-L192 WeakPolarHBondContact O-CG 3.1Å; G188-L192 PolarHBondContact O-N 3.04Å |
| 189 | L | 89.6 | Confident | 85.9 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 177 | -168.4 | 72.2 | 0 | 0 | 0 | 111.8 | S185 L186 V187 F191 L192 T193 | S185-L189 WeakPolarHBondContact O-CB 3.29Å; S185-L189 PolarHBondContact O-N 3.48Å; L186-L189 PolarHBondContact O-N 2.79Å; V187-L189 PolarHBondContact O-N 2.88Å; L189-F191 VanDerWaalsContact C-N 3.32Å; L189-F191 PolarHBondContact O-N 2.86Å; L189-L192 PolarHBondContact O-N 2.99Å; L189-T193 WeakPolarHBondContact O-CB 3.39Å; L189-T193 VanDerWaalsContact O-CG2 3.32Å; L189-T193 WeakPolarHBondContact O-CG2 3.32Å; L189-T193 PolarHBondContact O-N 2.95Å; L189-T193 PolarHBondContact O-OG1 2.68Å |
| 190 | S | 88.7 | Confident | 84.4 | Confident | 60 Ų | 60 | 106.5 Ų | 106.5 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.2 | 78.5 | 0 | 0 | 0 | 0 | 111.3 | L186 V187 T193 V194 | L186-S190 WeakPolarHBondContact O-CB 3.36Å; L186-S190 PolarHBondContact O-N 3.46Å; V187-S190 PolarHBondContact O-N 3.32Å; V187-S190 PolarHBondContact O-OG 2.85Å; S190-T193 WeakPolarHBondContact CA-OG1 3.3Å; S190-T193 PolarHBondContact O-N 3.48Å; S190-T193 PolarHBondContact O-OG1 3.49Å; S190-V194 WeakPolarHBondContact O-CB 3.34Å; S190-V194 VanDerWaalsContact O-CG2 3.27Å; S190-V194 WeakPolarHBondContact O-CG2 3.21Å; S190-V194 PolarHBondContact O-N 3.34Å |
| 191 | F | 87.5 | Confident | 82.6 | Confident | 142 Ų | 142 | 110.7 Ų | 110.7 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | 176.1 | -171.1 | -95.3 | 0 | 0 | 0 | 111.4 | V187 G188 L189 V194 W195 | V187-F191 PolarHBondContact O-N 3.29Å; G188-F191 PolarHBondContact O-N 3.45Å; L189-F191 VanDerWaalsContact C-N 3.32Å; L189-F191 PolarHBondContact O-N 2.86Å; F191-V194 PolarHBondContact O-N 2.95Å; F191-W195 WeakPolarHBondContact O-CB 3.26Å; F191-W195 PolarHBondContact O-N 2.91Å |
| 192 | L | 85.7 | Confident | 80.5 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.5 | -74.9 | 171.9 | 0 | 0 | 0 | 112.6 | G188 L189 W195 Q196 | G188-L192 WeakPolarHBondContact O-CB 3.36Å; G188-L192 WeakPolarHBondContact O-CG 3.1Å; G188-L192 PolarHBondContact O-N 3.04Å; L189-L192 PolarHBondContact O-N 2.99Å; L192-W195 PolarHBondContact O-N 2.78Å; L192-Q196 WeakPolarHBondContact O-CB 3.37Å; L192-Q196 WeakPolarHBondContact O-CG 3.3Å; L192-Q196 PolarHBondContact O-N 3.31Å |
| 193 | T | 82.2 | Confident | 78.2 | Confident | 83 Ų | 83 | 107.7 Ų | 107.7 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | L189 S190 W195 Q196 Y197 | L189-T193 WeakPolarHBondContact O-CB 3.39Å; L189-T193 VanDerWaalsContact O-CG2 3.32Å; L189-T193 WeakPolarHBondContact O-CG2 3.32Å; L189-T193 PolarHBondContact O-N 2.95Å; L189-T193 PolarHBondContact O-OG1 2.68Å; S190-T193 WeakPolarHBondContact CA-OG1 3.3Å; S190-T193 PolarHBondContact O-N 3.48Å; S190-T193 PolarHBondContact O-OG1 3.49Å; T193-W195 VanDerWaalsContact C-N 3.35Å; T193-Q196 PolarHBondContact O-N 3.39Å; T193-Y197 VanDerWaalsContact O-CB 3.26Å; T193-Y197 WeakPolarHBondContact O-CB 3.42Å; T193-Y197 PolarHBondContact O-N 2.97Å |
| 194 | V | 82.4 | Confident | 75.9 | Confident | 92 Ų | 92 | 110 Ų | 110 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | S190 F191 Y197 R198 | S190-V194 WeakPolarHBondContact O-CB 3.34Å; S190-V194 VanDerWaalsContact O-CG2 3.27Å; S190-V194 WeakPolarHBondContact O-CG2 3.21Å; S190-V194 PolarHBondContact O-N 3.34Å; F191-V194 PolarHBondContact O-N 2.95Å; V194-Y197 PolarHBondContact O-N 2.79Å; V194-R198 WeakPolarHBondContact O-CB 3.31Å; V194-R198 PolarHBondContact O-N 3.35Å |
| 195 | W | 81.6 | Confident | 73.3 | Confident | 114 Ų | 114 | 115 Ų | 115 | 43% | 0.432 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 178.5 | -173.2 | 84.3 | 0 | 0 | 0 | 111.8 | F191 L192 T193 R198 R199 | F191-W195 WeakPolarHBondContact O-CB 3.26Å; F191-W195 PolarHBondContact O-N 2.91Å; L192-W195 PolarHBondContact O-N 2.78Å; T193-W195 VanDerWaalsContact C-N 3.35Å; W195-R198 PolarHBondContact O-N 3.19Å; W195-R199 WeakPolarHBondContact O-CB 3.31Å; W195-R199 PolarHBondContact O-N 2.9Å |
| 196 | Q | 78.6 | Confident | 70.6 | Confident | 82 Ų | 82 | 121.3 Ų | 121.3 | 38% | 0.383 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -42.6 | 174 | -73.8 | -70.9 | -1.6 | 0 | 0 | 111.4 | L192 T193 R198 R199 R200 | L192-Q196 WeakPolarHBondContact O-CB 3.37Å; L192-Q196 WeakPolarHBondContact O-CG 3.3Å; L192-Q196 PolarHBondContact O-N 3.31Å; T193-Q196 PolarHBondContact O-N 3.39Å; Q196-R198 VanDerWaalsContact C-N 3.32Å; Q196-R198 PolarHBondContact O-N 2.97Å; Q196-R199 PolarHBondContact O-N 3.36Å; Q196-R200 WeakPolarHBondContact O-CG 3.45Å; Q196-R200 PolarHBondContact O-N 2.95Å |
| 197 | Y | 74.2 | Confident | 68.3 | Low | 140 Ų | 140 | 124.1 Ų | 124.1 | 55% | 0.549 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.5 | -42.3 | 175.3 | -174.9 | -108.6 | 0 | 0 | 0 | 112 | T193 V194 R201 | T193-Y197 VanDerWaalsContact O-CB 3.26Å; T193-Y197 WeakPolarHBondContact O-CB 3.42Å; T193-Y197 PolarHBondContact O-N 2.97Å; V194-Y197 PolarHBondContact O-N 2.79Å; Y197-R201 PolarHBondContact O-N 3.4Å; Y197-R201 PolarHBondContact OH-NH2 2.91Å |
| 198 | R | 70.6 | Confident | 65.9 | Low | 189 Ų | 189 | 126.4 Ų | 126.4 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.5 | -39 | 176.5 | -160.3 | 175.5 | -172.7 | 168.2 | 1.8 | 111.8 | V194 W195 Q196 R201 S202 | V194-R198 WeakPolarHBondContact O-CB 3.31Å; V194-R198 PolarHBondContact O-N 3.35Å; W195-R198 PolarHBondContact O-N 3.19Å; Q196-R198 VanDerWaalsContact C-N 3.32Å; Q196-R198 PolarHBondContact O-N 2.97Å; R198-R201 PolarHBondContact O-N 2.94Å; R198-S202 PolarHBondContact O-N 2.93Å; R198-S202 VanDerWaalsContact O-N 3.11Å |
| 199 | R | 64.1 | Low | 63.2 | Low | 139 Ų | 139 | 128 Ų | 128 | 53% | 0.525 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 178.2 | -161.3 | 176.8 | -170.3 | -169.3 | 1.6 | 111.4 | W195 Q196 R201 S202 T203 | W195-R199 WeakPolarHBondContact O-CB 3.31Å; W195-R199 PolarHBondContact O-N 2.9Å; Q196-R199 PolarHBondContact O-N 3.36Å; R199-R201 VanDerWaalsContact C-N 3.25Å; R199-R201 PolarHBondContact O-N 3.45Å; R199-S202 PolarHBondContact O-N 3.43Å; R199-T203 PolarHBondContact O-N 3.03Å; R199-T203 VanDerWaalsContact O-N 3.08Å; R199-T203 PolarHBondContact O-OG1 3.33Å |
| 200 | R | 58.6 | Low | 60.5 | Low | 176 Ų | 176 | 133.2 Ų | 133.2 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.3 | -33.4 | 174.5 | -72 | -179 | -175.5 | -165 | 0.6 | 112.6 | Q196 T203 H204 | Q196-R200 WeakPolarHBondContact O-CG 3.45Å; Q196-R200 PolarHBondContact O-N 2.95Å; R200-T203 PolarHBondContact O-OG1 2.93Å; R200-T203 VanDerWaalsContact O-OG1 3.13Å; R200-H204 PolarHBondContact O-CD2 3.49Å |
| 201 | R | 54.3 | Low | 58 | Low | 167 Ų | 167 | 135.2 Ų | 135.2 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.4 | -26 | 173.4 | -71.4 | -177.8 | 173.5 | -157.6 | -7.3 | 113.7 | Y197 R198 R199 | Y197-R201 PolarHBondContact O-N 3.4Å; Y197-R201 PolarHBondContact OH-NH2 2.91Å; R198-R201 PolarHBondContact O-N 2.94Å; R199-R201 VanDerWaalsContact C-N 3.25Å; R199-R201 PolarHBondContact O-N 3.45Å |
| 202 | S | 48.4 | Very low | 55.4 | Low | 73 Ų | 73 | 138 Ų | 138 | 51% | 0.51 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -82.6 | -19.3 | 175.4 | -85.3 | 0 | 0 | 0 | 0 | 113.9 | R198 R199 W206 | R198-S202 PolarHBondContact O-N 2.93Å; R198-S202 VanDerWaalsContact O-N 3.11Å; R199-S202 PolarHBondContact O-N 3.43Å; S202-W206 VanDerWaalsContact O-CD1 3.32Å; S202-W206 PolarHBondContact O-NE1 3.36Å |
| 203 | T | 45.4 | Very low | 52.9 | Low | 89 Ų | 89 | 138.8 Ų | 138.8 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -86.4 | -10.3 | -179.8 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | R199 R200 R205 | R199-T203 PolarHBondContact O-N 3.03Å; R199-T203 VanDerWaalsContact O-N 3.08Å; R199-T203 PolarHBondContact O-OG1 3.33Å; R200-T203 PolarHBondContact O-OG1 2.93Å; R200-T203 VanDerWaalsContact O-OG1 3.13Å; T203-R205 PolarHBondContact O-N 3.48Å |
| 204 | H | 44 | Very low | 50.5 | Low | 173 Ų | 173 | 141.2 Ų | 141.2 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 8 | 168.7 | -77.9 | -74.3 | 0 | 0 | 0 | 114 | R200 | R200-H204 PolarHBondContact O-CD2 3.49Š|
| 205 | R | 37.8 | Very low | 48.1 | Very low | 225 Ų | 225 | 140.7 Ų | 140.7 | 85% | 0.849 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 9.1 | -176.9 | -123.6 | -176.8 | -178.1 | -157.8 | -0.2 | 114.8 | T203 | T203-R205 PolarHBondContact O-N 3.48Š|
| 206 | W | 36.3 | Very low | 45.9 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -121 | 131.4 | -180 | -59.5 | 89 | 0 | 0 | 0 | 107.6 | S202 | S202-W206 VanDerWaalsContact O-CD1 3.32Å; S202-W206 PolarHBondContact O-NE1 3.36Å |
| 207 | T | 42.2 | Very low | 43.5 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 87% | 0.865 | 74% | 0.735 | S | S | * | * | | | trans | 77 | 49.3 | -179 | 74.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 208 | V | 40.8 | Very low | 41.4 | Very low | 143 Ų | 143 | 149 Ų | 149 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | | | trans | -117.1 | 91.2 | 138.8 | -168.7 | 0 | 0 | 0 | 0 | 106.7 | K210 | V208-K210 PolarHBondContact O-N 3.25Š|
| 209 | G | 34.6 | Very low | 39.7 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | | | trans | -63.5 | 119.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | S211 | G209-S211 PolarHBondContact O-N 3.45Š|
| 210 | K | 32.9 | Very low | 38 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 92% | 0.922 | 76% | 0.763 | S | S | * | * | | | trans | 41 | 80.4 | 144.9 | -58.5 | -174.4 | -178.8 | 177.7 | 0 | 116.8 | V208 | V208-K210 PolarHBondContact O-N 3.25Š|
| 211 | S | 36.7 | Very low | 36.9 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -153 | 110.9 | 139.1 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | G209 | G209-S211 PolarHBondContact O-N 3.45Š|
| 212 | K | 32.6 | Very low | 35.6 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | 24.5 | 112.1 | 151.1 | -60.7 | 172.1 | 177.8 | 177.1 | 0 | 114.8 | | |
| 213 | S | 33.3 | Very low | 34.8 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | | -178.5 | 152.8 | 67.1 | -55 | 0 | 0 | 0 | 0 | 109.4 | | |
| 214 | P | 31 | Very low | 34.1 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | -84.9 | 118.2 | -177.2 | 33.5 | -27.9 | 0 | 0 | 0 | 109.9 | | |
| 215 | A | 32 | Very low | 33.3 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | trans | -151.9 | 128.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 216 | F | 35.9 | Very low | 32.9 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | 78.5 | 77.7 | 166.5 | -63 | -80.1 | 0 | 0 | 0 | 118.3 | | |
| 217 | Q | 27.4 | Very low | 32.7 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | | -51.4 | 161.4 | 125 | -66.8 | -180 | 1.6 | 0 | 0 | 110.1 | | |
| 218 | V | 31 | Very low | 32 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | 95 | 123 | -179.6 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 219 | S | 34 | Very low | 31.3 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | cis | -145.7 | 139.8 | 11.9 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 220 | K | 29.2 | Very low | 31.2 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | | | trans | -45.7 | 149.2 | 148.4 | -67 | 167.3 | 172 | 170.8 | 0 | 109.2 | | |
| 221 | I | 35 | Very low | 30.9 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | | | | 151.3 | 113.9 | 128.5 | -78.3 | 157 | 0 | 0 | 0 | 110.2 | | |
| 222 | Y | 26.7 | Very low | 30.6 | Very low | 216 Ų | 216 | 135.6 Ų | 135.6 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | trans | 44.2 | 121.1 | 139.4 | -61 | -99.5 | 0 | 0 | 0 | 120.8 | | |
| 223 | S | 31.9 | Very low | 30.6 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | | -163 | 102.2 | 127.3 | -175.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 224 | A | 30.9 | Very low | 30.4 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | | | | 59.5 | 123.9 | 75.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 225 | A | 27 | Very low | 30.1 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -57.9 | 142.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 226 | C | 29.7 | Very low | 30 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | | | trans | -128 | 90.3 | 148.6 | -75.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 227 | T | 30.9 | Very low | 29.7 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | trans | -54 | 138 | 148.9 | 36.4 | 0 | 0 | 0 | 0 | 110 | | |
| 228 | G | 27.6 | Very low | 29.8 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | 149.4 | 112.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 229 | A | 27.4 | Very low | 29.8 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | 35.5 | 135.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 230 | H | 31.4 | Very low | 29.6 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | cis | -161 | 140.2 | 30.8 | -157.4 | -98.2 | 0 | 0 | 0 | 107.2 | S232 | H230-S232 PolarHBondContact O-N 2.96Š|
| 231 | L | 27.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -73.4 | 116.2 | 177.7 | -152.5 | 79.2 | 0 | 0 | 0 | 108.4 | | |
| 232 | S | 31 | Very low | 29.5 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -159.1 | 103.5 | 148.2 | 55.3 | 0 | 0 | 0 | 0 | 108.8 | H230 W234 | H230-S232 PolarHBondContact O-N 2.96Å; S232-W234 PolarHBondContact O-N 3.29Å |
| 233 | T | 30.7 | Very low | 29.8 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -73.3 | 104 | 174.4 | 38.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 234 | W | 29.7 | Very low | 29.8 | Very low | 246 Ų | 246 | 134.4 Ų | 134.4 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | | | trans | -105.7 | 118 | 152.5 | -101.7 | 51.6 | 0 | 0 | 0 | 108.1 | S232 S236 | S232-W234 PolarHBondContact O-N 3.29Å; W234-S236 PolarHBondContact O-N 2.92Å |
| 235 | S | 25.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -83.2 | 101.5 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 236 | S | 30.2 | Very low | 30.4 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -132.7 | 126.7 | 162.8 | -158.8 | 0 | 0 | 0 | 0 | 109.4 | W234 S238 | W234-S236 PolarHBondContact O-N 2.92Å; S236-S238 PolarHBondContact O-N 3.21Å |
| 237 | K | 28.7 | Very low | 30.9 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | | | trans | -64.7 | 113.7 | 172 | -74.3 | 172.6 | 174.5 | 172.4 | 0 | 107.6 | | |
| 238 | S | 29.3 | Very low | 31.3 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | trans | -128.1 | 116.4 | 170.2 | 45.9 | 0 | 0 | 0 | 0 | 109 | S236 A240 | S236-S238 PolarHBondContact O-N 3.21Å; S238-A240 PolarHBondContact O-N 2.95Å |
| 239 | D | 32 | Very low | 31.7 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | -60.8 | 115.4 | 175.7 | -61 | -42 | 0 | 0 | 0 | 109.4 | | |
| 240 | A | 30.1 | Very low | 32 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | trans | -93.5 | 122.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S238 | S238-A240 PolarHBondContact O-N 2.95Š|
| 241 | W | 33 | Very low | 32.1 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | | | trans | -95.8 | 127.7 | 175.6 | -61.1 | 66.4 | 0 | 0 | 0 | 108.7 | Y243 | W241-Y243 HydrophobicContact CB-CE2 4.41Š|
| 242 | C | 28.9 | Very low | 32.4 | Very low | 127 Ų | 127 | 131 Ų | 131 | 86% | 0.858 | 75% | 0.748 | S | S | * | * | | | trans | -104.1 | 117.4 | 172.1 | -64.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 243 | Y | 31.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 135 Ų | 135 | 63% | 0.627 | 75% | 0.752 | S | S | * | * | | | trans | -94.1 | 118.7 | 166.4 | -68.3 | -82 | 0 | 0 | 0 | 108.6 | W241 N245 M252 | W241-Y243 HydrophobicContact CB-CE2 4.41Å; Y243-N245 PolarHBondContact O-N 2.74Å; Y243-M252 HydrophobicContact CD1-CE 3.37Å; Y243-M252 HydrophobicContact CD1-SD 4.24Å; Y243-M252 HydrophobicContact CE1-CE 4.11Å; Y243-M252 HydrophobicContact CE1-SD 4.49Å; Y243-M252 HydrophobicContact CG-CE 3.73Å |
| 244 | E | 32.3 | Very low | 32.4 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | | | trans | -80.2 | 118.1 | 168.4 | -163.2 | 170.2 | -156.2 | 0 | 0 | 108 | V246 | E244-V246 PolarHBondContact O-N 3.35Š|
| 245 | N | 34.4 | Very low | 32.5 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -75.2 | 97.8 | 179.7 | -144.1 | -2.9 | 0 | 0 | 0 | 107.6 | Y243 S247 | Y243-N245 PolarHBondContact O-N 2.74Å; N245-S247 PolarHBondContact O-N 3.1Å; N245-S247 VanDerWaalsContact O-N 3.15Å |
| 246 | V | 35.6 | Very low | 33 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | | | trans | -71.8 | 106.7 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | E244 D248 | E244-V246 PolarHBondContact O-N 3.35Å; V246-D248 PolarHBondContact O-N 2.92Å |
| 247 | S | 41.2 | Very low | 33 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -67.8 | 10.3 | -174 | 48.1 | 0 | 0 | 0 | 0 | 115.7 | N245 | N245-S247 PolarHBondContact O-N 3.1Å; N245-S247 VanDerWaalsContact O-N 3.15Å |
| 248 | D | 39.3 | Very low | 33 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -123.5 | 67.4 | -176.3 | -72.4 | -25.9 | 0 | 0 | 0 | 111.2 | V246 G250 | V246-D248 PolarHBondContact O-N 2.92Å; D248-G250 WeakPolarHBondContact O-CA 3.38Å; D248-G250 PolarHBondContact O-N 3.26Å |
| 249 | G | 35.7 | Very low | 32.9 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 96% | 0.959 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 48.4 | 16.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 250 | G | 33.8 | Very low | 32.9 | Very low | 47 Ų | 47 | 136.6 Ų | 136.6 | 49% | 0.485 | 73% | 0.73 | S | S | . | * | | | trans | -107.6 | 127.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D248 M252 | D248-G250 WeakPolarHBondContact O-CA 3.38Å; D248-G250 PolarHBondContact O-N 3.26Å; G250-M252 PolarHBondContact O-N 3.04Å |
| 251 | T | 34.3 | Very low | 32.8 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | | | trans | -42.3 | 123.7 | 176.7 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | K253 | T251-K253 PolarHBondContact O-N 3.1Š|
| 252 | M | 32.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | | | trans | -50 | 107.4 | 174 | -81.2 | 177.5 | 140.6 | 0 | 0 | 110.4 | Y243 G250 | Y243-M252 HydrophobicContact CD1-CE 3.37Å; Y243-M252 HydrophobicContact CD1-SD 4.24Å; Y243-M252 HydrophobicContact CE1-CE 4.11Å; Y243-M252 HydrophobicContact CE1-SD 4.49Å; Y243-M252 HydrophobicContact CG-CE 3.73Å; G250-M252 PolarHBondContact O-N 3.04Å |
| 253 | K | 29.2 | Very low | 32.7 | Very low | 186 Ų | 186 | 131.1 Ų | 131.1 | 81% | 0.809 | 73% | 0.731 | S | S | * | * | | | trans | -88.8 | 115.7 | 163.3 | -84.2 | -171.6 | 172.7 | -175.9 | 0 | 108.2 | T251 R255 | T251-K253 PolarHBondContact O-N 3.1Å; K253-R255 PolarHBondContact O-N 3.28Å |
| 254 | K | 33 | Very low | 32.7 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | | | trans | -56.4 | 106.7 | 168.6 | -159.6 | -179.9 | -172.8 | -176.8 | 0 | 107.4 | | |
| 255 | R | 32.2 | Very low | 32.7 | Very low | 228 Ų | 228 | 127.4 Ų | 127.4 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | | | trans | -97.8 | 136.5 | 167.2 | -87.7 | -169.9 | -171.3 | 153.7 | 3.5 | 109.1 | K253 | K253-R255 PolarHBondContact O-N 3.28Š|
| 256 | D | 34.8 | Very low | 32.5 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | -9.1 | 123.7 | 174.8 | -52.7 | -40 | 0 | 0 | 0 | 116.7 | V258 | D256-V258 PolarHBondContact O-N 2.98Å; D256-V258 VanDerWaalsContact O-N 3.11Å |
| 257 | S | 29.9 | Very low | 32.4 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | trans | -58.2 | 110.3 | 169 | 50.1 | 0 | 0 | 0 | 0 | 110 | Y259 | S257-Y259 PolarHBondContact O-N 3.36Š|
| 258 | V | 30.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | | | trans | -79.5 | 106.9 | 166.5 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | D256 L260 | D256-V258 PolarHBondContact O-N 2.98Å; D256-V258 VanDerWaalsContact O-N 3.11Å; V258-L260 PolarHBondContact O-N 3.46Å |
| 259 | Y | 26 | Very low | 31.3 | Very low | 208 Ų | 208 | 131.7 Ų | 131.7 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | | | trans | -63.5 | 99.7 | 170.7 | -90.1 | -91.7 | 0 | 0 | 0 | 109.6 | S257 S261 | S257-Y259 PolarHBondContact O-N 3.36Å; Y259-S261 PolarHBondContact O-N 3.38Å |
| 260 | L | 31.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 63% | 0.634 | 73% | 0.734 | S | S | * | * | | | trans | -81.2 | 68.5 | 166.6 | -83.8 | 154.1 | 0 | 0 | 0 | 109.4 | V258 G262 A263 | V258-L260 PolarHBondContact O-N 3.46Å; L260-G262 PolarHBondContact O-N 2.96Å; L260-A263 HydrophobicContact CD2-CB 4.43Å |
| 261 | S | 29.5 | Very low | 31 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 112.4 | 168.7 | -169.3 | 0 | 0 | 0 | 0 | 108.9 | Y259 | Y259-S261 PolarHBondContact O-N 3.38Š|
| 262 | G | 29.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.7 | -0.5 | 168 | 0 | 0 | 0 | 0 | 0 | 117.3 | L260 | L260-G262 PolarHBondContact O-N 2.96Š|
| 263 | A | 30.3 | Very low | 30.8 | Very low | 54 Ų | 54 | 134.9 Ų | 134.9 | 45% | 0.446 | 73% | 0.734 | S | S | . | * | | | trans | -94.2 | 114.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L260 L265 | L260-A263 HydrophobicContact CD2-CB 4.43Å; A263-L265 PolarHBondContact O-N 2.94Å |
| 264 | T | 30.1 | Very low | 30.8 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | | | trans | -62.8 | 85.6 | 164.8 | 35.1 | 0 | 0 | 0 | 0 | 109.2 | K266 | T264-K266 PolarHBondContact O-N 3.07Š|
| 265 | L | 32.4 | Very low | 30.7 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 59% | 0.592 | 73% | 0.729 | S | S | * | * | | | trans | -69.3 | 112 | 173.4 | -80.2 | 156.4 | 0 | 0 | 0 | 108.1 | A263 | A263-L265 PolarHBondContact O-N 2.94Š|
| 266 | K | 30.2 | Very low | 30.7 | Very low | 186 Ų | 186 | 121.9 Ų | 121.9 | 81% | 0.809 | 71% | 0.71 | S | S | * | * | | | trans | -60.1 | 129.7 | 161.5 | -77.6 | -177.3 | 174.2 | -176.5 | 0 | 107.3 | T264 Y268 | T264-K266 PolarHBondContact O-N 3.07Å; K266-Y268 PolarHBondContact O-N 3.48Å |
| 267 | P | 33.2 | Very low | 31 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -80.5 | 60.8 | -174.3 | 34.8 | -36 | 0 | 0 | 0 | 110.3 | | |
| 268 | Y | 28.5 | Very low | 31.6 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | | | trans | -153.5 | 77.8 | 171.1 | -66.6 | -72.3 | 0 | 0 | 0 | 109.3 | K266 Y270 | K266-Y268 PolarHBondContact O-N 3.48Å; Y268-Y270 AromaticContact CD1-CE2 3.86Å; Y268-Y270 HydrophobicContact CD1-CE2 3.86Å; Y268-Y270 HydrophobicContact CG-CE2 4.25Å |
| 269 | A | 29.3 | Very low | 31.7 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | trans | -92.2 | 89.3 | 158 | 0 | 0 | 0 | 0 | 0 | 106.9 | V271 | A269-V271 PolarHBondContact O-N 2.88Š|
| 270 | Y | 27.9 | Very low | 32 | Very low | 202 Ų | 202 | 114.7 Ų | 114.7 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | | | trans | -62.1 | 122.4 | 167.9 | -81.2 | -92.4 | 0 | 0 | 0 | 108.2 | Y268 G272 | Y268-Y270 AromaticContact CD1-CE2 3.86Å; Y268-Y270 HydrophobicContact CD1-CE2 3.86Å; Y268-Y270 HydrophobicContact CG-CE2 4.25Å; Y270-G272 PolarHBondContact O-N 2.93Å; Y270-G272 VanDerWaalsContact O-N 3.1Å |
| 271 | V | 35.3 | Very low | 32 | Very low | 141 Ų | 141 | 114.1 Ų | 114.1 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | | | trans | -62.9 | 112.4 | 172.4 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | A269 | A269-V271 PolarHBondContact O-N 2.88Š|
| 272 | G | 33 | Very low | 32 | Very low | 60 Ų | 60 | 119.4 Ų | 119.4 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | | | trans | -61.6 | 134.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y270 L274 | Y270-G272 PolarHBondContact O-N 2.93Å; Y270-G272 VanDerWaalsContact O-N 3.1Å; G272-L274 PolarHBondContact O-N 3.16Å |
| 273 | S | 30.1 | Very low | 32 | Very low | 71 Ų | 71 | 120.6 Ų | 120.6 | 50% | 0.497 | 70% | 0.701 | S | S | . | * | | | trans | -44.2 | 126.2 | 172 | 44.3 | 0 | 0 | 0 | 0 | 112.7 | S275 | S273-S275 PolarHBondContact O-N 2.89Š|
| 274 | L | 30.2 | Very low | 32 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | | | trans | -61.1 | 126.4 | 167 | -94.1 | 83 | 0 | 0 | 0 | 109.6 | G272 T276 | G272-L274 PolarHBondContact O-N 3.16Å; L274-T276 PolarHBondContact O-N 2.87Å |
| 275 | S | 30.1 | Very low | 32 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | trans | -67.3 | 112 | 164 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | S273 | S273-S275 PolarHBondContact O-N 2.89Š|
| 276 | T | 33 | Very low | 31.8 | Very low | 75 Ų | 75 | 125.3 Ų | 125.3 | 46% | 0.46 | 72% | 0.718 | S | S | . | * | | | trans | -78.2 | 145 | 166.1 | 59.3 | 0 | 0 | 0 | 0 | 108.5 | L274 N278 G279 T280 | L274-T276 PolarHBondContact O-N 2.87Å; T276-N278 PolarHBondContact O-N 3.11Å; T276-G279 PolarHBondContact O-N 2.96Å; T276-G279 VanDerWaalsContact O-N 3.09Å; T276-T280 PolarHBondContact OG1-O 3.44Å |
| 277 | S | 41.4 | Very low | 31.9 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 0.5 | -175.7 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 278 | N | 42.1 | Very low | 31.9 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 16.7 | 178.1 | -69.2 | -4.7 | 0 | 0 | 0 | 113.5 | T276 T280 | T276-N278 PolarHBondContact O-N 3.11Å; N278-T280 PolarHBondContact O-N 3.26Å; N278-T280 VanDerWaalsContact O-N 3.08Å |
| 279 | G | 32.7 | Very low | 32 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 65.2 | 18 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115 | T276 | T276-G279 PolarHBondContact O-N 2.96Å; T276-G279 VanDerWaalsContact O-N 3.09Å |
| 280 | T | 30.8 | Very low | 32 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 56% | 0.564 | 73% | 0.731 | S | S | * | * | | | trans | -110.2 | 109.1 | 177.3 | 28 | 0 | 0 | 0 | 0 | 109.6 | T276 N278 R282 | T276-T280 PolarHBondContact OG1-O 3.44Å; N278-T280 PolarHBondContact O-N 3.26Å; N278-T280 VanDerWaalsContact O-N 3.08Å; T280-R282 PolarHBondContact O-N 2.91Å |
| 281 | T | 31.8 | Very low | 32.1 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | trans | -75.4 | 109.4 | 171.5 | -18.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 282 | R | 30.7 | Very low | 31.8 | Very low | 233 Ų | 233 | 119.4 Ų | 119.4 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | | | trans | -96.7 | 113.5 | 165 | -101.2 | 178.8 | 147.8 | -172.7 | -7.2 | 108.1 | T280 | T280-R282 PolarHBondContact O-N 2.91Š|
| 283 | S | 29.8 | Very low | 31.6 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | | | trans | -89.7 | 113.4 | 164.8 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 284 | S | 29.4 | Very low | 31.4 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | | | trans | -93.4 | 114.2 | 165.9 | 58.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 285 | V | 29.5 | Very low | 31.5 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | trans | -84.4 | 110.6 | 166.8 | -178 | 0 | 0 | 0 | 0 | 106.6 | | |
| 286 | F | 29.3 | Very low | 31.3 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -91.8 | 111.1 | 161.4 | -77.2 | -83.2 | 0 | 0 | 0 | 107.3 | E288 | F286-E288 PolarHBondContact O-N 3.46Š|
| 287 | S | 31.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -83.4 | 98.3 | 163.5 | 59.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 288 | E | 33.2 | Very low | 30.8 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | -87.7 | 114.8 | 165 | -160 | 163.2 | -165.5 | 0 | 0 | 108.4 | F286 A290 | F286-E288 PolarHBondContact O-N 3.46Å; E288-A290 PolarHBondContact O-N 3.2Å |
| 289 | N | 30.7 | Very low | 30.2 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | -58.1 | 115.8 | -176.3 | -158.5 | 10.6 | 0 | 0 | 0 | 109.1 | T291 | N289-T291 VanDerWaalsContact C-N 3.31Å; N289-T291 PolarHBondContact O-N 3.23Å |
| 290 | A | 30.8 | Very low | 30 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -66.5 | 89 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E288 | E288-A290 PolarHBondContact O-N 3.2Š|
| 291 | T | 29.8 | Very low | 29.8 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | trans | -115.9 | 105.7 | 160.3 | 42.3 | 0 | 0 | 0 | 0 | 107.7 | N289 H293 | N289-T291 VanDerWaalsContact C-N 3.31Å; N289-T291 PolarHBondContact O-N 3.23Å; T291-H293 PolarHBondContact O-N 3.39Å; T291-H293 VanDerWaalsContact O-N 3.15Å |
| 292 | T | 28.1 | Very low | 29.8 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -62.9 | 103.1 | 172.6 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 293 | H | 30.1 | Very low | 29.8 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | -138 | 124.6 | 161.3 | -82.6 | -72.9 | 0 | 0 | 0 | 111.3 | T291 | T291-H293 PolarHBondContact O-N 3.39Å; T291-H293 VanDerWaalsContact O-N 3.15Å |
| 294 | S | 25.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -54.6 | 129.4 | 176.4 | 57 | 0 | 0 | 0 | 0 | 112.5 | | |
| 295 | L | 31.1 | Very low | 30 | Very low | 160 Ų | 160 | 155.9 Ų | 155.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -140.8 | 81 | 158.9 | -76.3 | 173.3 | 0 | 0 | 0 | 109.4 | S297 | L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.26Å |
| 296 | Y | 25.5 | Very low | 30.1 | Very low | 248 Ų | 248 | 157.4 Ų | 157.4 | 97% | 0.973 | 80% | 0.801 | S | S | * | * | | | trans | -67.7 | 99.9 | 136 | -106.3 | -89.1 | 0 | 0 | 0 | 105.5 | | |
| 297 | S | 33.1 | Very low | 30 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | | | trans | -162 | 119.9 | 158.7 | -155.8 | 0 | 0 | 0 | 0 | 110.8 | L295 | L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.26Å |
| 298 | N | 32.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | 60.1 | 105.7 | 151.1 | -88.9 | -9.8 | 0 | 0 | 0 | 119.4 | G300 | N298-G300 PolarHBondContact O-N 2.75Š|
| 299 | E | 29.2 | Very low | 29.6 | Very low | 192 Ų | 192 | 153.7 Ų | 153.7 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | | 2.2 | 111.1 | 121.5 | -65.5 | 179.7 | 157.8 | 0 | 0 | 114.8 | | |
| 300 | G | 27.8 | Very low | 29.5 | Very low | 52 Ų | 52 | 155 Ų | 155 | 54% | 0.536 | 80% | 0.797 | S | S | . | * | | | trans | 164.5 | 93.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N298 H302 | N298-G300 PolarHBondContact O-N 2.75Å; G300-H302 PolarHBondContact O-CD2 2.89Å; G300-H302 PolarHBondContact O-N 3.16Å |
| 301 | H | 26.9 | Very low | 29.3 | Very low | 177 Ų | 177 | 154.8 Ų | 154.8 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | | | trans | 11.8 | 103.6 | 150.8 | -68.6 | -70.2 | 0 | 0 | 0 | 117.7 | | |
| 302 | H | 31.1 | Very low | 29.2 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -122.2 | 99.2 | 149 | -76.2 | -73.6 | 0 | 0 | 0 | 109.6 | G300 | G300-H302 PolarHBondContact O-CD2 2.89Å; G300-H302 PolarHBondContact O-N 3.16Å |
| 303 | R | 30.7 | Very low | 29.2 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 135.3 | 167 | -70.7 | 177.7 | 171.4 | -155.5 | -2.2 | 109.1 | F305 | R303-F305 PolarHBondContact O-N 3.31Š|
| 304 | W | 31.7 | Very low | 29 | Very low | 256 Ų | 256 | 149.9 Ų | 149.9 | 97% | 0.97 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 117.5 | 166 | -65.4 | 69.6 | 0 | 0 | 0 | 107.4 | | |
| 305 | F | 31.8 | Very low | 29.2 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 117.9 | 171.6 | -92 | -88.8 | 0 | 0 | 0 | 108.9 | R303 | R303-F305 PolarHBondContact O-N 3.31Š|
| 306 | D | 32.2 | Very low | 29 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65 | 129.9 | 163.9 | -87 | -40.9 | 0 | 0 | 0 | 110.2 | | |
| 307 | G | 26.5 | Very low | 29.2 | Very low | 69 Ų | 69 | 153.3 Ų | 153.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 62.8 | 103.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 308 | E | 28.4 | Very low | 29.2 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | | -166.2 | 142.4 | 121 | -122.8 | 165.7 | 171.3 | 0 | 0 | 111.9 | | |
| 309 | L | 28.2 | Very low | 29 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | | | trans | -106.8 | 106.3 | -167.9 | -167.2 | 150.7 | 0 | 0 | 0 | 107.2 | | |
| 310 | H | 28.5 | Very low | 29.3 | Very low | 165 Ų | 165 | 159.3 Ų | 159.3 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -140.5 | 101.3 | 166.5 | -80.1 | -59.8 | 0 | 0 | 0 | 108.7 | | |
| 311 | A | 27.3 | Very low | 29.6 | Very low | 95 Ų | 95 | 162.7 Ų | 162.7 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | | 83.7 | 98.7 | 83.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 312 | G | 27.1 | Very low | 30.2 | Very low | 67 Ų | 67 | 163.1 Ų | 163.1 | 69% | 0.691 | 85% | 0.845 | S | S | * | * | | | trans | -166.1 | 64.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 313 | C | 28.4 | Very low | 30.2 | Very low | 123 Ų | 123 | 162.3 Ų | 162.3 | 83% | 0.831 | 85% | 0.846 | S | S | * | * | | | trans | 60.6 | 126.1 | 144.6 | -53.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 314 | T | 26.5 | Very low | 30.1 | Very low | 120 Ų | 120 | 159.8 Ų | 159.8 | 74% | 0.736 | 85% | 0.849 | S | S | * | * | | | cis | -170.6 | 139.2 | -1.2 | 31.8 | 0 | 0 | 0 | 0 | 105.5 | | |
| 315 | P | 30.1 | Very low | 30.1 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | | | trans | -84.2 | 123.1 | 177.6 | 31.3 | -28.8 | 0 | 0 | 0 | 111.2 | R317 | P315-R317 PolarHBondContact O-N 2.94Š|
| 316 | Y | 27.1 | Very low | 30 | Very low | 222 Ų | 222 | 152.2 Ų | 152.2 | 87% | 0.871 | 84% | 0.842 | S | S | * | * | | | trans | -61.1 | 124.9 | 166.5 | -107.5 | -97.2 | 0 | 0 | 0 | 109.5 | | |
| 317 | R | 27.9 | Very low | 29.8 | Very low | 239 Ų | 239 | 151.4 Ų | 151.4 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | | | trans | -100.4 | 90 | -176.3 | -165.6 | -170.8 | -158.9 | -154.5 | 7.2 | 108 | P315 | P315-R317 PolarHBondContact O-N 2.94Š|
| 318 | E | 32.9 | Very low | 30 | Very low | 183 Ų | 183 | 156.9 Ų | 156.9 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | | | trans | -93.1 | 119.3 | 167.1 | -82.3 | -169.9 | 162.7 | 0 | 0 | 110.7 | L320 | E318-L320 PolarHBondContact O-N 3.33Š|
| 319 | K | 30.1 | Very low | 30.2 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 79% | 0.791 | 85% | 0.847 | S | S | * | * | | | trans | -63.8 | 121.7 | 172.4 | -77 | 173.1 | 171.2 | 177.1 | 0 | 109.3 | | |
| 320 | L | 33.9 | Very low | 30.3 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | | | trans | -84 | 111.2 | 149.3 | -81.9 | 152.6 | 0 | 0 | 0 | 107.1 | E318 | E318-L320 PolarHBondContact O-N 3.33Š|
| 321 | V | 34.4 | Very low | 30.5 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 75% | 0.752 | 86% | 0.855 | S | S | * | * | | | trans | -75.5 | 123.6 | 170.2 | 171.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 322 | S | 40 | Very low | 30.8 | Very low | 186 Ų | 186 | 159.1 Ų | 159.1 | 100% | 1.301 | 86% | 0.862 | S | S | * | * | | | trans | 43.9 | 0 | 159.1 | 165.2 | 0 | 0 | 0 | 0 | 117.2 | | |