| 1 | M | 29.2 | Very low | 26.5 | Very low | 224 Ų | 224 | 141.7 Ų | 141.7 | 100% | 1.103 | 82% | 0.817 | S | S | * | * | | | | 0 | 105.8 | 0 | -169.9 | -170.5 | -69.7 | 0 | 0 | 106.1 | | |
| 2 | T | 31.9 | Very low | 26.6 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | | | trans | -161.1 | 133 | 167.9 | 12.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 3 | F | 27.3 | Very low | 26.8 | Very low | 157 Ų | 157 | 138 Ų | 138 | 69% | 0.689 | 80% | 0.802 | S | S | * | * | | | trans | -129.6 | 149.9 | -161.3 | -101.8 | -74.5 | 0 | 0 | 0 | 107.4 | | |
| 4 | F | 27.4 | Very low | 27 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | | | trans | 60.7 | 106.9 | 157.3 | -56.8 | -58.6 | 0 | 0 | 0 | 117.5 | | |
| 5 | S | 24 | Very low | 26.9 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | | 90.7 | 119.8 | 77.8 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 6 | T | 25.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | | | trans | -23.2 | 134.1 | 155.9 | 49.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 7 | T | 26.3 | Very low | 27.1 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | | -174.2 | 124.8 | 116.1 | 28.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 8 | S | 25.4 | Very low | 27.1 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | | | trans | 12 | 128.9 | 140.1 | 56 | 0 | 0 | 0 | 0 | 119.8 | | |
| 9 | S | 25.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | | | | -168.3 | 138.9 | 125.9 | -76.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 10 | N | 25.4 | Very low | 27.5 | Very low | 155 Ų | 155 | 115.5 Ų | 115.5 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | | | trans | -72 | 162.1 | -175.7 | -77.7 | -17.4 | 0 | 0 | 0 | 114.7 | | |
| 11 | S | 23.6 | Very low | 27.6 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | | | trans | 74.6 | 116.7 | 143.1 | 62.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 12 | S | 27.8 | Very low | 27.3 | Very low | 120 Ų | 120 | 114.3 Ų | 114.3 | 84% | 0.839 | 68% | 0.675 | S | S | * | * | | | | -170.2 | 114.9 | 124.1 | 48.5 | 0 | 0 | 0 | 0 | 112 | | |
| 13 | L | 29.6 | Very low | 27.1 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 60% | 0.602 | 67% | 0.673 | S | S | * | * | | | trans | -68.9 | 141.8 | 151.3 | -68.5 | 163.8 | 0 | 0 | 0 | 107 | V278 | L13-V278 HydrophobicContact CD2-CB 3.95Å; L13-V278 HydrophobicContact CD2-CG1 3.67Å; L13-V278 HydrophobicContact CD2-CG2 3.17Å; L13-V278 HydrophobicContact CG-CG2 4.41Å |
| 14 | A | 29.3 | Very low | 26.9 | Very low | 61 Ų | 61 | 114 Ų | 114 | 50% | 0.504 | 67% | 0.673 | S | S | . | * | | | cis | -161.6 | 163.7 | 26.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V278 | A14-V278 HydrophobicContact CB-CG1 4.35Š|
| 15 | S | 26.1 | Very low | 26.9 | Very low | 65 Ų | 65 | 114 Ų | 114 | 46% | 0.455 | 68% | 0.681 | S | S | . | * | | | trans | 72.1 | 144.4 | 146.2 | -51.1 | 0 | 0 | 0 | 0 | 121 | S279 | S15-S279 WeakPolarHBondContact CB-O 3.34Å; S15-S279 VanDerWaalsContact OG-CB 3.24Å; S15-S279 WeakPolarHBondContact OG-CB 3.06Å; S15-S279 PolarHBondContact OG-O 2.82Å; S15-S279 PolarHBondContact OG-OG 2.79Å |
| 16 | G | 26.6 | Very low | 26.8 | Very low | 39 Ų | 39 | 115.9 Ų | 115.9 | 40% | 0.402 | 68% | 0.677 | S | S | . | * | | | trans | 167.3 | 100.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D281 Q282 | G16-D281 CarbonylContact C-O 3.59Å; G16-D281 WeakPolarHBondContact CA-O 3.48Å; G16-D281 PolarHBondContact N-O 3.43Å; G16-D281 VanDerWaalsContact N-O 3.16Å; G16-Q282 WeakPolarHBondContact O-CG 3.43Å; G16-Q282 PolarHBondContact O-NE2 3.08Å; G16-Q282 PolarHBondContact O-OE1 3.33Å |
| 17 | L | 30.5 | Very low | 26.7 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 46% | 0.461 | 68% | 0.676 | S | S | . | * | | | trans | -53 | 151.3 | -179.1 | -62.7 | 136.5 | 0 | 0 | 0 | 120.9 | D281 Q282 P283 | L17-D281 WeakPolarHBondContact CA-O 3.41Å; L17-D281 HydrophobicContact CD1-CB 3.33Å; L17-D281 WeakPolarHBondContact CD1-OD1 3.19Å; L17-D281 HydrophobicContact CD2-CB 3.73Å; L17-D281 WeakPolarHBondContact CD2-OD1 3.3Å; L17-D281 HydrophobicContact CG-CB 3.26Å; L17-D281 WeakPolarHBondContact CG-O 3.34Å; L17-D281 PolarHBondContact N-O 3.14Å; L17-Q282 VanDerWaalsContact CD2-N 3.35Å; L17-P283 VanDerWaalsContact CB-CD 3.48Å; L17-P283 HydrophobicContact CB-CG 4.22Å; L17-P283 HydrophobicContact CD2-CG 3.58Å; L17-P283 HydrophobicContact CG-CG 4.43Å |
| 18 | S | 27.5 | Very low | 26.6 | Very low | 25 Ų | 25 | 116.7 Ų | 116.7 | 18% | 0.175 | 67% | 0.671 | C | S | . | * | | | trans | -124.9 | 79.4 | 161.5 | 37.8 | 0 | 0 | 0 | 0 | 114.7 | Q282 P283 | S18-Q282 WeakPolarHBondContact OG-CG 3.12Å; S18-Q282 PolarHBondContact OG-NE2 2.67Å; S18-Q282 VanDerWaalsContact OG-NE2 3.14Å; S18-P283 CarbonylContact O-C 3.57Å; S18-P283 WeakPolarHBondContact O-CA 3.18Å; S18-P283 WeakPolarHBondContact O-CB 3.49Å; S18-P283 WeakPolarHBondContact O-CD 3.45Å; S18-P283 VanDerWaalsContact O-CG 3.3Å; S18-P283 WeakPolarHBondContact O-CG 3.15Å; S18-P283 PolarHBondContact OG-O 3.15Å |
| 19 | D | 28 | Very low | 26.6 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 66% | 0.663 | 67% | 0.674 | S | S | * | * | | | trans | 68.7 | 94.1 | 137.6 | -45.1 | -45 | 0 | 0 | 0 | 122.1 | P283 | D19-P283 VanDerWaalsContact N-CG 3.35Š|
| 20 | T | 33.1 | Very low | 26.6 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | | | trans | -120.2 | 100 | 140.2 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 21 | N | 29.3 | Very low | 26.5 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | | | trans | 39.9 | 99.1 | 153.1 | -67.7 | -30.6 | 0 | 0 | 0 | 120.3 | | |
| 22 | F | 24.1 | Very low | 26.6 | Very low | 192 Ų | 192 | 111.8 Ų | 111.8 | 84% | 0.842 | 67% | 0.666 | S | S | * | * | | | trans | -16.5 | 120.7 | 143.8 | -71.6 | -98.9 | 0 | 0 | 0 | 116.7 | | |
| 23 | I | 27.4 | Very low | 26.4 | Very low | 166 Ų | 166 | 111.4 Ų | 111.4 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | | | | -135.4 | 124.3 | 123.4 | -51.4 | 178.4 | 0 | 0 | 0 | 106.8 | L25 | I23-L25 PolarHBondContact O-N 2.72Å; I23-L25 VanDerWaalsContact O-N 3.17Å |
| 24 | N | 23 | Very low | 26.3 | Very low | 131 Ų | 131 | 111.2 Ų | 111.2 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | | | trans | -62.2 | 104.7 | 178.5 | -150.4 | -10.1 | 0 | 0 | 0 | 109.3 | | |
| 25 | L | 26.3 | Very low | 26.3 | Very low | 173 Ų | 173 | 114.2 Ų | 114.2 | 91% | 0.906 | 69% | 0.689 | S | S | * | * | | | trans | -124.3 | 85 | 159.7 | -155.7 | 74.2 | 0 | 0 | 0 | 107.8 | I23 | I23-L25 PolarHBondContact O-N 2.72Å; I23-L25 VanDerWaalsContact O-N 3.17Å |
| 26 | E | 22.8 | Very low | 26.6 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | | | trans | -51.9 | 142.9 | 158.4 | -79.7 | -177.1 | 133.3 | 0 | 0 | 110.5 | | |
| 27 | Q | 24.2 | Very low | 26.7 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | | | trans | 83.8 | 114.2 | 142.7 | -79.2 | -180 | 36.3 | 0 | 0 | 119.9 | | |
| 28 | T | 24.1 | Very low | 26.6 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 69% | 0.693 | 71% | 0.712 | S | S | * | * | | | | 102.9 | 101.7 | 125.4 | -55 | 0 | 0 | 0 | 0 | 116.1 | | |
| 29 | A | 24.7 | Very low | 26.6 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -49.8 | 136.3 | 155 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 30 | A | 26.2 | Very low | 26.7 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | | | trans | 78.8 | 93.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 31 | T | 22.6 | Very low | 27 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | | | | -170.3 | 134.4 | 113.3 | 20.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 32 | G | 25.8 | Very low | 26.8 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | | | trans | -61.4 | 143.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 33 | S | 22.9 | Very low | 27 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | trans | -172.1 | 122.8 | 142 | -82.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 34 | S | 27.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 53.4 | 120.5 | 142.3 | -46.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 35 | S | 30.9 | Very low | 27.2 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | | | trans | 85.4 | 133.1 | 159.1 | 79.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 36 | S | 32.2 | Very low | 27.3 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | | | trans | 85.9 | 69.7 | 177.1 | -164.1 | 0 | 0 | 0 | 0 | 117.6 | T38 | S36-T38 VanDerWaalsContact C-N 3.31Å; S36-T38 PolarHBondContact O-N 3.26Å; S36-T38 PolarHBondContact OG-OG1 3.18Å |
| 37 | T | 28.5 | Very low | 27.6 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 60% | 0.595 | 71% | 0.712 | S | S | * | * | | | trans | -82.8 | 78.1 | 155.5 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | D45 | T37-D45 WeakPolarHBondContact CB-OD2 3.46Å; T37-D45 WeakPolarHBondContact O-CB 3.03Å; T37-D45 PolarHBondContact O-N 2.97Å; T37-D45 WeakPolarHBondContact OG1-CB 3.33Å; T37-D45 PolarHBondContact OG1-OD2 2.66Å |
| 38 | T | 27.4 | Very low | 27.6 | Very low | 88 Ų | 88 | 114.5 Ų | 114.5 | 54% | 0.54 | 71% | 0.711 | S | S | . | * | B | Isolated β-bridge | trans | -88.1 | 108.9 | 161.6 | 31.8 | 0 | 0 | 0 | 0 | 107.4 | S36 | S36-T38 VanDerWaalsContact C-N 3.31Å; S36-T38 PolarHBondContact O-N 3.26Å; S36-T38 PolarHBondContact OG-OG1 3.18Å |
| 39 | N | 28.3 | Very low | 27.7 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 52% | 0.519 | 72% | 0.716 | S | S | . | * | | | trans | -67.1 | 155.4 | 173.4 | -87.9 | -50.2 | 0 | 0 | 0 | 110.2 | F41 G42 | N39-F41 PolarHBondContact O-N 2.92Å; N39-G42 PolarHBondContact O-N 2.73Å |
| 40 | R | 29.7 | Very low | 27.8 | Very low | 247 Ų | 247 | 118.6 Ų | 118.6 | 93% | 0.932 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -15.6 | -175.5 | -168.3 | 176.2 | 179 | -150.2 | -0.1 | 115.5 | | |
| 41 | F | 38.5 | Very low | 27.7 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 74% | 0.737 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 8.2 | 176.4 | -62.7 | -73.7 | 0 | 0 | 0 | 114.4 | N39 F43 | N39-F41 PolarHBondContact O-N 2.92Å; F41-F43 HydrophobicContact CB-CD2 3.57Å; F41-F43 HydrophobicContact CB-CE2 3.48Å; F41-F43 VanDerWaalsContact CB-CE2 3.48Å; F41-F43 HydrophobicContact CG-CE2 4.4Å; F41-F43 PolarHBondContact O-N 2.84Å |
| 42 | G | 25.9 | Very low | 27.8 | Very low | 62 Ų | 62 | 123.2 Ų | 123.2 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 72.3 | 12.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N39 | N39-G42 PolarHBondContact O-N 2.73Š|
| 43 | F | 28.8 | Very low | 27.8 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | | | trans | -80.9 | 121.6 | 169.5 | -56.4 | -64.5 | 0 | 0 | 0 | 109 | F41 D45 | F41-F43 HydrophobicContact CB-CD2 3.57Å; F41-F43 HydrophobicContact CB-CE2 3.48Å; F41-F43 VanDerWaalsContact CB-CE2 3.48Å; F41-F43 HydrophobicContact CG-CE2 4.4Å; F41-F43 PolarHBondContact O-N 2.84Å; F43-D45 PolarHBondContact O-N 3.44Å |
| 44 | S | 24.2 | Very low | 27.8 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | B | Isolated β-bridge | trans | -67 | 122.9 | 166.2 | -34.4 | 0 | 0 | 0 | 0 | 108.4 | G46 | S44-G46 PolarHBondContact O-N 2.97Å |
| 45 | D | 29.7 | Very low | 27.7 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 42% | 0.417 | 70% | 0.698 | S | S | . | * | | | trans | -61.2 | 111.3 | 168.1 | -81.8 | -26.6 | 0 | 0 | 0 | 108.6 | T37 F43 L47 | T37-D45 WeakPolarHBondContact CB-OD2 3.46Å; T37-D45 WeakPolarHBondContact O-CB 3.03Å; T37-D45 PolarHBondContact O-N 2.97Å; T37-D45 WeakPolarHBondContact OG1-CB 3.33Å; T37-D45 PolarHBondContact OG1-OD2 2.66Å; F43-D45 PolarHBondContact O-N 3.44Å; D45-L47 PolarHBondContact O-N 2.78Å |
| 46 | G | 29.1 | Very low | 27.4 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -74.1 | 49.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S44 | S44-G46 PolarHBondContact O-N 2.97Š|
| 47 | L | 28.5 | Very low | 27.1 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | | | trans | -127.6 | 50.5 | 174 | -64.5 | 175.5 | 0 | 0 | 0 | 111.3 | D45 N49 | D45-L47 PolarHBondContact O-N 2.78Å; L47-N49 PolarHBondContact O-N 2.9Å |
| 48 | I | 25.2 | Very low | 26.9 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | | | trans | -91 | 85.3 | 154.6 | -74.1 | 178.1 | 0 | 0 | 0 | 106.4 | Q50 | I48-Q50 HydrophobicContact CG2-CB 3.58Å; I48-Q50 PolarHBondContact O-N 2.8Å |
| 49 | N | 25.7 | Very low | 26.8 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | | | trans | -79.9 | 71.6 | 153 | -72.2 | -23 | 0 | 0 | 0 | 106.5 | L47 | L47-N49 PolarHBondContact O-N 2.9Š|
| 50 | Q | 25.4 | Very low | 26.8 | Very low | 144 Ų | 144 | 147 Ų | 147 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | | | trans | -98.2 | 90.1 | 163 | -155.4 | 160.4 | 21.4 | 0 | 0 | 105.2 | I48 H52 | I48-Q50 HydrophobicContact CG2-CB 3.58Å; I48-Q50 PolarHBondContact O-N 2.8Å; Q50-H52 PolarHBondContact O-N 3.12Å |
| 51 | E | 24.7 | Very low | 26.5 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | | | trans | -63.4 | 73.6 | 164.9 | -165.5 | 175.6 | -177 | 0 | 0 | 107 | T53 | E51-T53 PolarHBondContact O-N 2.95Š|
| 52 | H | 24.2 | Very low | 26 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | | | trans | -85.4 | 84.5 | 161.6 | -127 | -60.7 | 0 | 0 | 0 | 105.5 | Q50 D54 | Q50-H52 PolarHBondContact O-N 3.12Å; H52-D54 PolarHBondContact O-N 2.99Å |
| 53 | T | 26.7 | Very low | 25.8 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 63% | 0.632 | 75% | 0.75 | S | S | * | * | | | trans | -58.2 | 102.5 | 161 | -49.1 | 0 | 0 | 0 | 0 | 106.9 | E51 | E51-T53 PolarHBondContact O-N 2.95Š|
| 54 | D | 23.4 | Very low | 25.5 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -149.1 | 123.5 | 152 | -93.9 | -45.2 | 0 | 0 | 0 | 110.1 | H52 D56 | H52-D54 PolarHBondContact O-N 2.99Å; D54-D56 PolarHBondContact O-N 3.29Å |
| 55 | N | 25.6 | Very low | 25.4 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | -47.4 | 128.3 | 175.3 | -61.8 | -77.2 | 0 | 0 | 0 | 111.4 | | |
| 56 | D | 23.6 | Very low | 25 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | | -172 | 130.7 | 121.9 | -104.3 | -32.5 | 0 | 0 | 0 | 113 | D54 Q58 | D54-D56 PolarHBondContact O-N 3.29Å; D56-Q58 PolarHBondContact O-N 2.81Å; D56-Q58 VanDerWaalsContact O-N 3.16Å |
| 57 | R | 25.8 | Very low | 24.7 | Very low | 237 Ų | 237 | 150.4 Ų | 150.4 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | | | trans | -57.2 | 107.1 | 167.5 | -72.1 | 166 | 142.4 | 134.1 | -5.8 | 110 | | |
| 58 | Q | 23.5 | Very low | 24.4 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -141.4 | 115.7 | 152.4 | -69.8 | -163.2 | -0.7 | 0 | 0 | 112 | D56 L60 | D56-Q58 PolarHBondContact O-N 2.81Å; D56-Q58 VanDerWaalsContact O-N 3.16Å; Q58-L60 PolarHBondContact O-N 2.72Å |
| 59 | H | 25.3 | Very low | 24.4 | Very low | 178 Ų | 178 | 151 Ų | 151 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -43.2 | 126.5 | 166.7 | -69.8 | -113.8 | 0 | 0 | 0 | 112 | | |
| 60 | L | 29.6 | Very low | 24.2 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | | | trans | -126.1 | 102.4 | 159.6 | -89.4 | 161.2 | 0 | 0 | 0 | 110 | Q58 V62 | Q58-L60 PolarHBondContact O-N 2.72Å; L60-V62 PolarHBondContact O-N 2.93Å |
| 61 | N | 23.9 | Very low | 24.2 | Very low | 144 Ų | 144 | 148 Ų | 148 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -42.3 | 116.7 | 173.7 | -69.1 | -30.1 | 0 | 0 | 0 | 112.6 | V63 | N61-V63 PolarHBondContact O-N 3.16Š|
| 62 | V | 26.5 | Very low | 24.2 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -79.7 | 103.1 | 155.3 | 179.9 | 0 | 0 | 0 | 0 | 106.9 | L60 Q64 | L60-V62 PolarHBondContact O-N 2.93Å; V62-Q64 PolarHBondContact O-N 3.3Å; V62-Q64 VanDerWaalsContact O-N 3.16Å |
| 63 | V | 23.2 | Very low | 24.2 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -56.2 | 113.7 | 167.1 | 173.4 | 0 | 0 | 0 | 0 | 108.1 | N61 T65 | N61-V63 PolarHBondContact O-N 3.16Å; V63-T65 PolarHBondContact O-N 3.31Å |
| 64 | Q | 22.6 | Very low | 24.1 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -81.9 | 102.2 | -179.7 | -154.4 | 175.1 | 24.3 | 0 | 0 | 108.3 | V62 | V62-Q64 PolarHBondContact O-N 3.3Å; V62-Q64 VanDerWaalsContact O-N 3.16Å |
| 65 | T | 22.2 | Very low | 24.1 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | trans | -86.4 | 109.7 | 167.8 | 43 | 0 | 0 | 0 | 0 | 109.1 | V63 S67 | V63-T65 PolarHBondContact O-N 3.31Å; T65-S67 PolarHBondContact O-N 3.44Å |
| 66 | N | 20.5 | Very low | 24 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -59 | 96 | 168.8 | -85.3 | -22.8 | 0 | 0 | 0 | 109.8 | | |
| 67 | S | 22.7 | Very low | 24 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -142.6 | 108.4 | 156.3 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | T65 H69 | T65-S67 PolarHBondContact O-N 3.44Å; S67-H69 PolarHBondContact O-N 3.15Å; S67-H69 VanDerWaalsContact O-N 3.11Å |
| 68 | S | 22 | Very low | 24.2 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -63.7 | 98.9 | 176.5 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 69 | H | 25.1 | Very low | 24.3 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | | | trans | -168.7 | 92.6 | 144.8 | -94 | -60.6 | 0 | 0 | 0 | 107.7 | S67 S71 | S67-H69 PolarHBondContact O-N 3.15Å; S67-H69 VanDerWaalsContact O-N 3.11Å; H69-S71 PolarHBondContact O-N 3.15Å |
| 70 | S | 22.8 | Very low | 24.2 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | -69.3 | 85.2 | -178.6 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 71 | S | 24.6 | Very low | 24 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -96.8 | 81.8 | 149.4 | 166.2 | 0 | 0 | 0 | 0 | 106.5 | H69 R73 | H69-S71 PolarHBondContact O-N 3.15Å; S71-R73 PolarHBondContact O-N 3.22Å |
| 72 | S | 23.7 | Very low | 23.9 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | | | trans | -59.6 | 106.6 | 170 | 60.9 | 0 | 0 | 0 | 0 | 107.6 | F74 | S72-F74 PolarHBondContact O-N 2Š|
| 73 | R | 25.1 | Very low | 23.8 | Very low | 223 Ų | 223 | 140.6 Ų | 140.6 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | | | trans | -60.6 | 104.3 | 165.3 | -74.9 | -178.3 | -165.7 | 177.6 | 4.4 | 106 | S71 I75 | S71-R73 PolarHBondContact O-N 3.22Å; R73-I75 PolarHBondContact O-N 2.69Å |
| 74 | F | 24.1 | Very low | 23.9 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | | | trans | -66.5 | 91 | 160.8 | -76.5 | -82.4 | 0 | 0 | 0 | 106.5 | S72 Y76 | S72-F74 PolarHBondContact O-N 2Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.45Å; F74-Y76 VanDerWaalsContact O-N 3.11Å |
| 75 | I | 23.8 | Very low | 24 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | | | trans | -66.2 | 102.8 | 158.7 | -61 | 173.7 | 0 | 0 | 0 | 103.8 | R73 N77 | R73-I75 PolarHBondContact O-N 2.69Å; I75-N77 PolarHBondContact O-N 3.39Å |
| 76 | Y | 23.7 | Very low | 24.1 | Very low | 213 Ų | 213 | 137.6 Ų | 137.6 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | trans | -69.9 | 85.8 | 174 | -140.5 | -84.5 | 0 | 0 | 0 | 107.4 | F74 P78 | F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.45Å; F74-Y76 VanDerWaalsContact O-N 3.11Å; Y76-P78 WeakPolarHBondContact O-CD 2.94Å |
| 77 | N | 23.4 | Very low | 24.3 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 44% | 0.439 | 75% | 0.752 | S | S | . | * | | | trans | -86.7 | 110.6 | 165.7 | -175.4 | 9.3 | 0 | 0 | 0 | 106.8 | I75 L79 N80 | I75-N77 PolarHBondContact O-N 3.39Å; N77-L79 PolarHBondContact O-N 2.91Å; N77-N80 PolarHBondContact O-N 2.87Å |
| 78 | P | 28.9 | Very low | 24.4 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -9.3 | -175.3 | 22.7 | -32.8 | 0 | 0 | 0 | 114.6 | Y76 | Y76-P78 WeakPolarHBondContact O-CD 2.94Š|
| 79 | L | 27.5 | Very low | 24.5 | Very low | 137 Ų | 137 | 140 Ų | 140 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -9.1 | -174.4 | -80.6 | 160.3 | 0 | 0 | 0 | 116.5 | N77 | N77-L79 PolarHBondContact O-N 2.91Š|
| 80 | N | 21.8 | Very low | 24.6 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 54% | 0.54 | 75% | 0.749 | S | S | . | * | | | trans | -121.7 | 62.3 | -178.1 | -73.3 | -3.8 | 0 | 0 | 0 | 112.2 | N77 Y82 | N77-N80 PolarHBondContact O-N 2.87Å; N80-Y82 HydrophobicContact CB-CD2 4.23Å; N80-Y82 WeakPolarHBondContact OD1-CE2 3.14Å |
| 81 | V | 25.3 | Very low | 24.8 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -92.4 | 75.3 | 145.7 | -174.2 | 0 | 0 | 0 | 0 | 105.8 | D83 | V81-D83 VanDerWaalsContact C-N 3.29Å; V81-D83 PolarHBondContact O-N 2.97Å; V81-D83 VanDerWaalsContact O-N 3.16Å |
| 82 | Y | 22 | Very low | 24.7 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | -70.4 | 100.1 | 154 | -77.4 | -85.4 | 0 | 0 | 0 | 105 | N80 A84 | N80-Y82 HydrophobicContact CB-CD2 4.23Å; N80-Y82 WeakPolarHBondContact OD1-CE2 3.14Å; Y82-A84 PolarHBondContact O-N 2.8Å; Y82-A84 VanDerWaalsContact O-N 3.11Å |
| 83 | D | 24.3 | Very low | 24.7 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | -62.8 | 112.8 | 161.1 | -162.1 | -1.7 | 0 | 0 | 0 | 106.3 | V81 G85 | V81-D83 VanDerWaalsContact C-N 3.29Å; V81-D83 PolarHBondContact O-N 2.97Å; V81-D83 VanDerWaalsContact O-N 3.16Å; D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.09Å |
| 84 | A | 25.1 | Very low | 24.6 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -71.5 | 91.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y82 | Y82-A84 PolarHBondContact O-N 2.8Å; Y82-A84 VanDerWaalsContact O-N 3.11Å |
| 85 | G | 24.6 | Very low | 24.6 | Very low | 64 Ų | 64 | 134.6 Ų | 134.6 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 97.8 | 85.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D83 | D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.09Å |
| 86 | E | 24.4 | Very low | 24.6 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | | -161.4 | 128.1 | 129.1 | -108.1 | 174.2 | -163.5 | 0 | 0 | 109.3 | L88 | E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.14Å |
| 87 | N | 24.8 | Very low | 24.7 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 92% | 0.92 | 76% | 0.759 | S | S | * | * | | | trans | -65 | 83.1 | -174.3 | -67.4 | -66.1 | 0 | 0 | 0 | 111.7 | | |
| 88 | L | 25.9 | Very low | 24.7 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -81.5 | 123.3 | 169.2 | -73 | 170.2 | 0 | 0 | 0 | 109.8 | E86 | E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.14Å |
| 89 | P | 23.7 | Very low | 24.5 | Very low | 99 Ų | 99 | 146 Ų | 146 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | trans | -61.8 | 146 | 178.7 | 23.9 | -31.7 | 0 | 0 | 0 | 110.9 | V91 | P89-V91 PolarHBondContact O-N 2.98Š|
| 90 | P | 27.9 | Very low | 24.3 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -68.7 | 103 | -176.6 | 27 | -32.3 | 0 | 0 | 0 | 109.7 | A92 | P90-A92 PolarHBondContact O-N 2.84Å; P90-A92 VanDerWaalsContact O-N 3.14Å |
| 91 | V | 26.1 | Very low | 24.7 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -77 | 102.7 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | P89 | P89-V91 PolarHBondContact O-N 2.98Š|
| 92 | A | 22.5 | Very low | 24.5 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | trans | -56.7 | 133.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P90 | P90-A92 PolarHBondContact O-N 2.84Å; P90-A92 VanDerWaalsContact O-N 3.14Å |
| 93 | N | 22.6 | Very low | 24.9 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | 57.3 | 102.6 | 153.9 | -58.9 | -19.1 | 0 | 0 | 0 | 118.6 | | |
| 94 | S | 23.1 | Very low | 24.8 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | | 145.4 | 120.6 | 113.1 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | R96 | S94-R96 PolarHBondContact O-N 3.29Š|
| 95 | E | 25.6 | Very low | 25 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 24.9 | 94.1 | 149.1 | -60.6 | 178.3 | 169.9 | 0 | 0 | 116.8 | | |
| 96 | R | 23.9 | Very low | 25.1 | Very low | 234 Ų | 234 | 150 Ų | 150 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | 162.9 | 31.4 | 144.4 | -90.5 | 172.6 | -163.5 | -151.1 | 9 | 114.8 | S94 R98 | S94-R96 PolarHBondContact O-N 3.29Å; R96-R98 PolarHBondContact O-N 2.79Å |
| 97 | Y | 24.4 | Very low | 25.2 | Very low | 206 Ų | 206 | 148.2 Ų | 148.2 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | trans | -79.1 | 64.7 | 163.5 | -143.4 | -114.7 | 0 | 0 | 0 | 110.3 | Q99 | Y97-Q99 HydrophobicContact CD1-CG 3.35Å; Y97-Q99 HydrophobicContact CE1-CG 3.18Å; Y97-Q99 HydrophobicContact CG-CG 4.44Å; Y97-Q99 PolarHBondContact O-N 3.23Å |
| 98 | R | 23.6 | Very low | 25.1 | Very low | 208 Ų | 208 | 146.6 Ų | 146.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -63.1 | 91.9 | 149.3 | -79.2 | -175.2 | 170.3 | -134.8 | -2.2 | 104.5 | R96 T100 | R96-R98 PolarHBondContact O-N 2.79Å; R98-T100 VanDerWaalsContact C-N 3.32Å; R98-T100 PolarHBondContact O-N 2.94Å |
| 99 | Q | 25 | Very low | 25.1 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | | | trans | -54.8 | 109.5 | 159.7 | -76 | -175.5 | 10 | 0 | 0 | 105.8 | Y97 Y101 | Y97-Q99 HydrophobicContact CD1-CG 3.35Å; Y97-Q99 HydrophobicContact CE1-CG 3.18Å; Y97-Q99 HydrophobicContact CG-CG 4.44Å; Y97-Q99 PolarHBondContact O-N 3.23Å; Q99-Y101 VanDerWaalsContact C-N 3.33Å; Q99-Y101 PolarHBondContact O-N 2.86Å |
| 100 | T | 23.9 | Very low | 25 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | | | trans | -54.8 | 100.7 | 172 | -42.5 | 0 | 0 | 0 | 0 | 106.3 | R98 S102 | R98-T100 VanDerWaalsContact C-N 3.32Å; R98-T100 PolarHBondContact O-N 2.94Å; T100-S102 PolarHBondContact O-N 2.82Å; T100-S102 VanDerWaalsContact O-N 3.09Å |
| 101 | Y | 29 | Very low | 24.8 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -45.5 | 119.8 | 163 | -91.1 | -97.2 | 0 | 0 | 0 | 106.8 | Q99 P103 | Q99-Y101 VanDerWaalsContact C-N 3.33Å; Q99-Y101 PolarHBondContact O-N 2.86Å; Y101-P103 WeakPolarHBondContact O-CD 2.89Å |
| 102 | S | 23 | Very low | 24.6 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | | | trans | -66.9 | 115.9 | 167.8 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | T100 N104 F105 | T100-S102 PolarHBondContact O-N 2.82Å; T100-S102 VanDerWaalsContact O-N 3.09Å; S102-N104 PolarHBondContact O-N 3.22Å; S102-F105 PolarHBondContact O-N 3.22Å |
| 103 | P | 29.1 | Very low | 24.8 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -2.2 | -176.7 | 24.7 | -32.8 | 0 | 0 | 0 | 113.8 | Y101 | Y101-P103 WeakPolarHBondContact O-CD 2.89Š|
| 104 | N | 23.7 | Very low | 24.7 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 14.8 | -175.3 | -65.5 | -30.8 | 0 | 0 | 0 | 114.5 | S102 I106 | S102-N104 PolarHBondContact O-N 3.22Å; N104-I106 PolarHBondContact O-N 3.45Å |
| 105 | F | 27.3 | Very low | 24.8 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | | | trans | -76.1 | 60.6 | 168.8 | -155.9 | -96.1 | 0 | 0 | 0 | 110.6 | S102 Q107 | S102-F105 PolarHBondContact O-N 3.22Å; F105-Q107 VanDerWaalsContact C-N 3.3Å; F105-Q107 HydrophobicContact CD1-CB 4.46Å; F105-Q107 HydrophobicContact CE1-CB 4.1Å; F105-Q107 PolarHBondContact O-N 3.46Å; F105-Q107 VanDerWaalsContact O-N 3.11Å |
| 106 | I | 26.8 | Very low | 24.7 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 64% | 0.641 | 74% | 0.735 | S | S | * | * | | | trans | -68.7 | 100 | 155.4 | -58.9 | 173.7 | 0 | 0 | 0 | 103.6 | N104 N108 | N104-I106 PolarHBondContact O-N 3.45Å; I106-N108 WeakPolarHBondContact CG2-OD1 3.08Å; I106-N108 PolarHBondContact O-N 3.44Å |
| 107 | Q | 27.3 | Very low | 24.7 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | | | trans | -62.9 | 92.1 | 160.2 | -170.3 | 172.6 | 2.1 | 0 | 0 | 105.3 | F105 T109 | F105-Q107 VanDerWaalsContact C-N 3.3Å; F105-Q107 HydrophobicContact CD1-CB 4.46Å; F105-Q107 HydrophobicContact CE1-CB 4.1Å; F105-Q107 PolarHBondContact O-N 3.46Å; F105-Q107 VanDerWaalsContact O-N 3.11Å; Q107-T109 PolarHBondContact O-N 3.3Å |
| 108 | N | 22.8 | Very low | 24.6 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | trans | -57.4 | 89.2 | 165 | -86.3 | -1.7 | 0 | 0 | 0 | 105.7 | I106 S110 | I106-N108 WeakPolarHBondContact CG2-OD1 3.08Å; I106-N108 PolarHBondContact O-N 3.44Å; N108-S110 PolarHBondContact O-N 3.46Å |
| 109 | T | 26.1 | Very low | 24.6 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 56% | 0.558 | 72% | 0.715 | S | S | * | * | | | trans | -64.1 | 97.3 | 152.6 | 43.7 | 0 | 0 | 0 | 0 | 104.1 | Q107 D111 | Q107-T109 PolarHBondContact O-N 3.3Å; T109-D111 PolarHBondContact O-N 2.91Å |
| 110 | S | 21.9 | Very low | 24.4 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | | | trans | -37.6 | 124.5 | 172 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | N108 S112 | N108-S110 PolarHBondContact O-N 3.46Å; S110-S112 PolarHBondContact O-N 3.32Å |
| 111 | D | 24.2 | Very low | 24.5 | Very low | 173 Ų | 173 | 122 Ų | 122 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -60.9 | 67.2 | -178.2 | -65.7 | -59.2 | 0 | 0 | 0 | 113.1 | T109 | T109-D111 PolarHBondContact O-N 2.91Š|
| 112 | S | 21.4 | Very low | 24.2 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | trans | -130.4 | 47.8 | 168.2 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | S110 | S110-S112 PolarHBondContact O-N 3.32Š|
| 113 | I | 26.7 | Very low | 24.3 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | | | trans | -93.2 | 89.3 | 151.4 | -58 | 176.2 | 0 | 0 | 0 | 104.4 | N115 | I113-N115 PolarHBondContact O-N 2.79Š|
| 114 | S | 21.2 | Very low | 24 | Very low | 88 Ų | 88 | 122 Ų | 122 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | | | trans | -55.5 | 119.6 | 166.5 | 54.1 | 0 | 0 | 0 | 0 | 108 | D116 | S114-D116 PolarHBondContact O-N 3.11Š|
| 115 | N | 23.4 | Very low | 24.2 | Very low | 154 Ų | 154 | 123 Ų | 123 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | | | trans | -67.3 | 49 | 175.2 | -89.7 | -20.2 | 0 | 0 | 0 | 112.5 | I113 S117 | I113-N115 PolarHBondContact O-N 2.79Å; N115-S117 VanDerWaalsContact C-N 3.34Å |
| 116 | D | 23.6 | Very low | 24.1 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | | | trans | -88.9 | -1.8 | 179.9 | -100.7 | -5.8 | 0 | 0 | 0 | 113.7 | S114 | S114-D116 PolarHBondContact O-N 3.11Š|
| 117 | S | 23.9 | Very low | 24.1 | Very low | 83 Ų | 83 | 115 Ų | 115 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -120.9 | 110.4 | 168.5 | 56.6 | 0 | 0 | 0 | 0 | 107.3 | N115 V119 | N115-S117 VanDerWaalsContact C-N 3.34Å; S117-V119 PolarHBondContact O-N 2.76Å |
| 118 | G | 23.6 | Very low | 24.3 | Very low | 86 Ų | 86 | 114.3 Ų | 114.3 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | | | trans | -64.1 | 41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S120 | G118-S120 PolarHBondContact O-N 3.01Å; G118-S120 VanDerWaalsContact O-N 3.12Å |
| 119 | V | 22.5 | Very low | 24.6 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 60% | 0.6 | 68% | 0.677 | S | S | * | * | | | trans | -76.4 | 96.1 | 170 | -168.2 | 0 | 0 | 0 | 0 | 105.8 | S117 | S117-V119 PolarHBondContact O-N 2.76Š|
| 120 | S | 22.1 | Very low | 24.8 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | | | trans | -48.3 | 125 | 164.4 | -81 | 0 | 0 | 0 | 0 | 107.9 | G118 Y122 | G118-S120 PolarHBondContact O-N 3.01Å; G118-S120 VanDerWaalsContact O-N 3.12Å; S120-Y122 PolarHBondContact O-N 3.3Å |
| 121 | P | 24.9 | Very low | 25.2 | Very low | 90 Ų | 90 | 115 Ų | 115 | 58% | 0.584 | 66% | 0.664 | S | S | * | * | | | trans | -57.8 | 116.3 | 179.5 | 23 | -31 | 0 | 0 | 0 | 107.1 | C123 | P121-C123 PolarHBondContact O-N 3.04Š|
| 122 | Y | 23.4 | Very low | 25.8 | Very low | 215 Ų | 215 | 114 Ų | 114 | 84% | 0.843 | 66% | 0.656 | S | S | * | * | | | trans | -54.9 | 110.8 | 174.2 | -89.9 | -101.8 | 0 | 0 | 0 | 107.7 | S120 S124 | S120-Y122 PolarHBondContact O-N 3.3Å; Y122-S124 PolarHBondContact O-N 3.49Å |
| 123 | C | 25.2 | Very low | 26.4 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | | | trans | -62.1 | 80.8 | 170.5 | -69 | 0 | 0 | 0 | 0 | 109.6 | P121 I125 | P121-C123 PolarHBondContact O-N 3.04Å; C123-I125 PolarHBondContact O-N 3.36Å |
| 124 | S | 23.1 | Very low | 26.7 | Very low | 76 Ų | 76 | 110.8 Ų | 110.8 | 53% | 0.531 | 64% | 0.642 | S | S | . | * | | | trans | -83.9 | 98.3 | 160.5 | -177.8 | 0 | 0 | 0 | 0 | 106.2 | Y122 V126 | Y122-S124 PolarHBondContact O-N 3.49Å; S124-V126 PolarHBondContact O-N 3.39Å; S124-V126 WeakPolarHBondContact OG-CG2 3.35Å |
| 125 | I | 26 | Very low | 27.2 | Very low | 151 Ų | 151 | 110.5 Ų | 110.5 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | | | trans | -66.5 | 80.5 | 164.9 | -56.6 | 171.8 | 0 | 0 | 0 | 105.7 | C123 S127 | C123-I125 PolarHBondContact O-N 3.36Å; I125-S127 PolarHBondContact O-N 2.78Å |
| 126 | V | 26.1 | Very low | 27.7 | Very low | 58 Ų | 58 | 106.7 Ų | 106.7 | 35% | 0.352 | 61% | 0.61 | S | S | . | * | | | trans | -81.9 | 106 | 166 | -160.7 | 0 | 0 | 0 | 0 | 105.7 | S124 F128 I139 | S124-V126 PolarHBondContact O-N 3.39Å; S124-V126 WeakPolarHBondContact OG-CG2 3.35Å; V126-F128 HydrophobicContact CB-CD2 3.51Å; V126-F128 HydrophobicContact CB-CE2 3.24Å; V126-F128 HydrophobicContact CB-CG 4.38Å; V126-F128 HydrophobicContact CB-CZ 3.89Å; V126-F128 HydrophobicContact CG1-CD1 4.02Å; V126-F128 HydrophobicContact CG1-CD2 3.47Å; V126-F128 VanDerWaalsContact CG1-CD2 3.47Å; V126-F128 HydrophobicContact CG1-CE1 3.64Å; V126-F128 HydrophobicContact CG1-CE2 3.08Å; V126-F128 HydrophobicContact CG1-CG 3.95Å; V126-F128 HydrophobicContact CG1-CZ 3.17Å; V126-F128 HydrophobicContact CG2-CE2 3.85Å; V126-F128 HydrophobicContact CG2-CZ 4.38Å; V126-F128 PolarHBondContact O-N 2.81Å; V126-I139 HydrophobicContact CB-CD1 4.32Å |
| 127 | S | 25.9 | Very low | 28.3 | Very low | 72 Ų | 72 | 103.5 Ų | 103.5 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | | | trans | -65.6 | 82 | 169.1 | 61.4 | 0 | 0 | 0 | 0 | 108.3 | I125 | I125-S127 PolarHBondContact O-N 2.78Š|
| 128 | F | 31.7 | Very low | 28.8 | Very low | 128 Ų | 128 | 101 Ų | 101 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | | | trans | -83.2 | 123.9 | 171.6 | -74 | -66.5 | 0 | 0 | 0 | 109 | V126 N130 F137 | V126-F128 HydrophobicContact CB-CD2 3.51Å; V126-F128 HydrophobicContact CB-CE2 3.24Å; V126-F128 HydrophobicContact CB-CG 4.38Å; V126-F128 HydrophobicContact CB-CZ 3.89Å; V126-F128 HydrophobicContact CG1-CD1 4.02Å; V126-F128 HydrophobicContact CG1-CD2 3.47Å; V126-F128 VanDerWaalsContact CG1-CD2 3.47Å; V126-F128 HydrophobicContact CG1-CE1 3.64Å; V126-F128 HydrophobicContact CG1-CE2 3.08Å; V126-F128 HydrophobicContact CG1-CG 3.95Å; V126-F128 HydrophobicContact CG1-CZ 3.17Å; V126-F128 HydrophobicContact CG2-CE2 3.85Å; V126-F128 HydrophobicContact CG2-CZ 4.38Å; V126-F128 PolarHBondContact O-N 2.81Å; F128-N130 PolarHBondContact O-N 3.43Å; F128-F137 HydrophobicContact CB-CE1 4.07Å; F128-F137 HydrophobicContact CB-CZ 3.97Å; F128-F137 HydrophobicContact CD2-CZ 4.49Å |
| 129 | Q | 30.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 100.6 Ų | 100.6 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | | | trans | -33.6 | 119.8 | 173.2 | -78.1 | 168.5 | -21.6 | 0 | 0 | 111 | | |
| 130 | N | 29.3 | Very low | 30 | Very low | 86 Ų | 86 | 99.9 Ų | 99.9 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | | | trans | 17.9 | 113.8 | 143.5 | -71.9 | -18.1 | 0 | 0 | 0 | 114.3 | F128 | F128-N130 PolarHBondContact O-N 3.43Š|
| 131 | N | 31.5 | Very low | 30.5 | Very low | 90 Ų | 90 | 95.4 Ų | 95.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | | | trans | -48.5 | 160.6 | 155.1 | -169.5 | -6.8 | 0 | 0 | 0 | 108.9 | N133 G134 | N131-N133 CarbonylContact O-C 3.08Å; N131-N133 PolarHBondContact O-N 2.87Å; N131-G134 PolarHBondContact O-N 2.72Å |
| 132 | M | 36 | Very low | 31.1 | Very low | 153 Ų | 153 | 100.9 Ų | 100.9 | 75% | 0.754 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -15 | -177.5 | -71 | -150.3 | -81.9 | 0 | 0 | 115 | | |
| 133 | N | 34.3 | Very low | 31.4 | Very low | 141 Ų | 141 | 99.1 Ų | 99.1 | 75% | 0.754 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 6.7 | 173.6 | -63.1 | -12.1 | 0 | 0 | 0 | 115.5 | N131 | N131-N133 CarbonylContact O-C 3.08Å; N131-N133 PolarHBondContact O-N 2.87Å |
| 134 | G | 31.7 | Very low | 31.8 | Very low | 39 Ų | 39 | 99.7 Ų | 99.7 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | | | trans | 79.2 | 16.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | N131 | N131-G134 PolarHBondContact O-N 2.72Š|
| 135 | Q | 32.8 | Very low | 32.3 | Very low | 81 Ų | 81 | 97.1 Ų | 97.1 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | | | trans | -93.1 | 129.7 | -178.4 | -65.6 | -170.3 | 2.4 | 0 | 0 | 112.1 | | |
| 136 | N | 34.3 | Very low | 32.5 | Very low | 75 Ų | 75 | 95 Ų | 95 | 40% | 0.401 | 48% | 0.481 | S | S | . | . | | | trans | -68.9 | 139.4 | 173 | -63.6 | -40.1 | 0 | 0 | 0 | 110.2 | H145 | N136-H145 WeakPolarHBondContact O-CB 3.07Å; N136-H145 PolarHBondContact O-ND1 2.72Å |
| 137 | F | 35.9 | Very low | 32.8 | Very low | 88 Ų | 88 | 98.5 Ų | 98.5 | 39% | 0.386 | 50% | 0.495 | S | S | . | . | B | Isolated β-bridge | trans | -117.2 | 147.5 | 172.7 | 68 | -86.3 | 0 | 0 | 0 | 110.4 | F128 I139 | F128-F137 HydrophobicContact CB-CE1 4.07Å; F128-F137 HydrophobicContact CB-CZ 3.97Å; F128-F137 HydrophobicContact CD2-CZ 4.49Å; F137-I139 HydrophobicContact CD2-CG1 4.37Å; F137-I139 HydrophobicContact CE2-CG1 3.73Å |
| 138 | C | 33.8 | Very low | 33.1 | Very low | 30 Ų | 30 | 100.8 Ų | 100.8 | 20% | 0.203 | 50% | 0.501 | C | S | . | . | | | trans | -86.7 | 129.5 | 167.4 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | D140 C141 R142 H145 | C138-D140 VanDerWaalsContact C-N 3.31Å; C138-D140 PolarHBondContact O-N 2.95Å; C138-D140 PolarHBondContact SG-N 3.16Å; C138-D140 VanDerWaalsContact SG-N 3.44Å; C138-C141 HydrophobicContact CB-CB 4.02Å; C138-C141 PolarHBondContact O-N 3.11Å; C138-R142 PolarHBondContact O-N 3.22Å; C138-H145 WeakPolarHBondContact CB-NE2 3.05Å; C138-H145 PolarHBondContact N-CE1 3.1Å; C138-H145 VanDerWaalsContact N-CE1 3.31Å; C138-H145 PolarHBondContact N-NE2 2.75Å; C138-H145 VanDerWaalsContact N-NE2 3.16Å |
| 139 | I | 36.8 | Very low | 33.2 | Very low | 78 Ų | 78 | 99.1 Ų | 99.1 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -38 | 177.8 | -73.2 | 167.5 | 0 | 0 | 0 | 111.4 | V126 F137 C141 | V126-I139 HydrophobicContact CB-CD1 4.32Å; F137-I139 HydrophobicContact CD2-CG1 4.37Å; F137-I139 HydrophobicContact CE2-CG1 3.73Å; I139-C141 VanDerWaalsContact C-N 3.3Å; I139-C141 PolarHBondContact O-N 2.88Å |
| 140 | D | 34.2 | Very low | 33.3 | Very low | 84 Ų | 84 | 94.8 Ų | 94.8 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -31.6 | 179.5 | -75 | -22 | 0 | 0 | 0 | 112.3 | C138 | C138-D140 VanDerWaalsContact C-N 3.31Å; C138-D140 PolarHBondContact O-N 2.95Å; C138-D140 PolarHBondContact SG-N 3.16Å; C138-D140 VanDerWaalsContact SG-N 3.44Å |
| 141 | C | 33.5 | Very low | 33.4 | Very low | 5 Ų | 5 | 98 Ų | 98 | 3% | 0.034 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -28.3 | -175.2 | -50.2 | 0 | 0 | 0 | 0 | 112.6 | C138 I139 Y143 C155 C157 | C138-C141 HydrophobicContact CB-CB 4.02Å; C138-C141 PolarHBondContact O-N 3.11Å; I139-C141 VanDerWaalsContact C-N 3.3Å; I139-C141 PolarHBondContact O-N 2.88Å; C141-Y143 WeakPolarHBondContact O-CD2 3.49Å; C141-Y143 PolarHBondContact O-N 3.27Å; C141-C155 HydrophobicContact CB-CB 4.23Å; C141-C155 WeakPolarHBondContact CB-SG 3.5Å; C141-C155 WeakPolarHBondContact SG-CB 3.44Å; C141-C155 CovalentContact SG-SG 2Å; C141-C155 PolarHBondContact SG-SG 2.99Å; C141-C157 HydrophobicContact CB-CB 4.41Å; C141-C157 VanDerWaalsContact CB-SG 3.53Å; C141-C157 VanDerWaalsContact SG-CB 3.52Å; C141-C157 PolarHBondContact SG-SG 2.78Å |
| 142 | R | 36.4 | Very low | 33.3 | Very low | 205 Ų | 205 | 98.7 Ų | 98.7 | 77% | 0.774 | 52% | 0.517 | S | S | * | . | | | trans | 49 | -0 | -167.4 | -63.3 | -172.6 | 175.1 | -178.2 | -0.4 | 115.4 | C138 | C138-R142 PolarHBondContact O-N 3.22Š|
| 143 | Y | 30.1 | Very low | 33.2 | Very low | 178 Ų | 178 | 92.3 Ų | 92.3 | 70% | 0.698 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -92.7 | 134.8 | -179.7 | -72.2 | -67 | 0 | 0 | 0 | 109.9 | C141 H145 | C141-Y143 WeakPolarHBondContact O-CD2 3.49Å; C141-Y143 PolarHBondContact O-N 3.27Å; Y143-H145 PolarHBondContact O-N 2.85Å |
| 144 | N | 33 | Very low | 33.2 | Very low | 115 Ų | 115 | 87.9 Ų | 87.9 | 62% | 0.615 | 47% | 0.467 | S | S | * | . | B | Isolated β-bridge | trans | -49.4 | 121.2 | 175.5 | -69.6 | -37.1 | 0 | 0 | 0 | 110 | V146 | N144-V146 PolarHBondContact O-N 2.91Å |
| 145 | H | 34.2 | Very low | 33.4 | Very low | 23 Ų | 23 | 87 Ų | 87 | 11% | 0.106 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 121.6 | 169.6 | -67.8 | 174.6 | 0 | 0 | 0 | 108.9 | N136 C138 Y143 C153 | N136-H145 WeakPolarHBondContact O-CB 3.07Å; N136-H145 PolarHBondContact O-ND1 2.72Å; C138-H145 WeakPolarHBondContact CB-NE2 3.05Å; C138-H145 PolarHBondContact N-CE1 3.1Å; C138-H145 VanDerWaalsContact N-CE1 3.31Å; C138-H145 PolarHBondContact N-NE2 2.75Å; C138-H145 VanDerWaalsContact N-NE2 3.16Å; Y143-H145 PolarHBondContact O-N 2.85Å; H145-C153 HydrophobicContact CB-CB 4.42Å; H145-C153 VanDerWaalsContact CB-SG 3.54Å; H145-C153 PolarHBondContact ND1-SG 3.25Å |
| 146 | V | 30 | Very low | 33.6 | Very low | 107 Ų | 107 | 93.1 Ų | 93.1 | 65% | 0.648 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -84 | 116.5 | 165.9 | -172.5 | 0 | 0 | 0 | 0 | 106.3 | N144 I148 | N144-V146 PolarHBondContact O-N 2.91Å; V146-I148 PolarHBondContact O-N 3.41Å; V146-I148 VanDerWaalsContact O-N 3.08Å |
| 147 | M | 32.8 | Very low | 33.7 | Very low | 131 Ų | 131 | 93 Ų | 93 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 113.1 | 168 | -79.2 | -157.3 | -71 | 0 | 0 | 108.3 | | |
| 148 | I | 31.9 | Very low | 33.7 | Very low | 120 Ų | 120 | 93.3 Ų | 93.3 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -39.6 | 175.4 | -61.5 | -179.9 | 0 | 0 | 0 | 109.6 | V146 S154 | V146-I148 PolarHBondContact O-N 3.41Å; V146-I148 VanDerWaalsContact O-N 3.08Å; I148-S154 WeakPolarHBondContact CD1-OG 3.42Å |
| 149 | S | 33.4 | Very low | 34 | Very low | 93 Ų | 93 | 100 Ų | 100 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 101.7 | 175.9 | 29.1 | 0 | 0 | 0 | 0 | 111 | Q151 | S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact O-N 3.31Å |
| 150 | G | 33.1 | Very low | 33.9 | Very low | 68 Ų | 68 | 102.4 Ų | 102.4 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | -49.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 151 | Q | 31.2 | Very low | 33.9 | Very low | 153 Ų | 153 | 103.2 Ų | 103.2 | 72% | 0.715 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.2 | -11.3 | -167.3 | -67.1 | -178 | 8.8 | 0 | 0 | 115.3 | S149 | S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact O-N 3.31Å |
| 152 | M | 30.4 | Very low | 34 | Very low | 106 Ų | 106 | 109.7 Ų | 109.7 | 52% | 0.522 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 125.4 | -177.4 | -64.7 | -176.6 | -179.7 | 0 | 0 | 111.6 | E163 | M152-E163 HydrophobicContact CE-CG 3.79Å; M152-E163 WeakPolarHBondContact CE-OE1 3.39Å; M152-E163 HydrophobicContact SD-CG 4.37Å |
| 153 | C | 32.9 | Very low | 33.6 | Very low | 19 Ų | 19 | 106.6 Ų | 106.6 | 13% | 0.128 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.8 | 163.9 | -85.2 | 0 | 0 | 0 | 0 | 108.9 | H145 V164 | H145-C153 HydrophobicContact CB-CB 4.42Å; H145-C153 VanDerWaalsContact CB-SG 3.54Å; H145-C153 PolarHBondContact ND1-SG 3.25Å; C153-V164 HydrophobicContact CB-CG2 4.41Å |
| 154 | S | 34.2 | Very low | 33.8 | Very low | 47 Ų | 47 | 101.8 Ų | 101.8 | 33% | 0.329 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -102.2 | 117.1 | 165.1 | 65.3 | 0 | 0 | 0 | 0 | 108.8 | I148 | I148-S154 WeakPolarHBondContact CD1-OG 3.42Š|
| 155 | C | 36.1 | Very low | 33.5 | Very low | 21 Ų | 21 | 102.1 Ų | 102.1 | 14% | 0.142 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -89.2 | 128.4 | 165.1 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | C141 C157 H158 | C141-C155 HydrophobicContact CB-CB 4.23Å; C141-C155 WeakPolarHBondContact CB-SG 3.5Å; C141-C155 WeakPolarHBondContact SG-CB 3.44Å; C141-C155 CovalentContact SG-SG 2Å; C141-C155 PolarHBondContact SG-SG 2.99Å; C155-C157 PolarHBondContact O-N 2.9Å; C155-C157 VanDerWaalsContact O-N 3.15Å; C155-C157 WeakPolarHBondContact SG-CB 3.08Å; C155-C157 PolarHBondContact SG-N 2.76Å; C155-C157 PolarHBondContact SG-SG 3.16Å; C155-H158 PolarHBondContact O-N 2.95Å; C155-H158 VanDerWaalsContact O-N 3.15Å |
| 156 | K | 37.7 | Very low | 33.3 | Very low | 209 Ų | 209 | 104.1 Ų | 104.1 | 91% | 0.909 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -16.2 | 176.5 | -77 | -170.9 | 176.7 | -176.1 | 0 | 114.8 | H158 | K156-H158 PolarHBondContact O-N 3.46Š|
| 157 | C | 36.6 | Very low | 33.1 | Very low | 72 Ų | 72 | 104.5 Ų | 104.5 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -23.7 | 176.2 | -53.5 | 0 | 0 | 0 | 0 | 112 | C141 C155 | C141-C157 HydrophobicContact CB-CB 4.41Å; C141-C157 VanDerWaalsContact CB-SG 3.53Å; C141-C157 VanDerWaalsContact SG-CB 3.52Å; C141-C157 PolarHBondContact SG-SG 2.78Å; C155-C157 PolarHBondContact O-N 2.9Å; C155-C157 VanDerWaalsContact O-N 3.15Å; C155-C157 WeakPolarHBondContact SG-CB 3.08Å; C155-C157 PolarHBondContact SG-N 2.76Å; C155-C157 PolarHBondContact SG-SG 3.16Å |
| 158 | H | 36.4 | Very low | 32.6 | Very low | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.44 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -110.5 | 109.6 | 169 | -57.5 | -76.2 | 0 | 0 | 0 | 107 | C155 K156 E160 | C155-H158 PolarHBondContact O-N 2.95Å; C155-H158 VanDerWaalsContact O-N 3.15Å; K156-H158 PolarHBondContact O-N 3.46Å; H158-E160 CarbonylContact O-C 3.01Å; H158-E160 PolarHBondContact O-N 2.95Å |
| 159 | N | 38.8 | Very low | 32.5 | Very low | 171 Ų | 171 | 104.1 Ų | 104.1 | 91% | 0.914 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -60.3 | -5.8 | 171.7 | -157.3 | 25.2 | 0 | 0 | 0 | 112.3 | | |
| 160 | E | 36 | Very low | 32 | Very low | 128 Ų | 128 | 106.8 Ų | 106.8 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -98.2 | 109.9 | 170.9 | -61.9 | 175.7 | -174.6 | 0 | 0 | 108.3 | H158 K162 | H158-E160 CarbonylContact O-C 3.01Å; H158-E160 PolarHBondContact O-N 2.95Å; E160-K162 HydrophobicContact CB-CG 4.26Å; E160-K162 PolarHBondContact O-N 3.12Å; E160-K162 WeakPolarHBondContact OE2-CE 3.5Å; E160-K162 IonicContact OE2-NZ 3.71Å |
| 161 | S | 33.1 | Very low | 31.5 | Very low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | | | trans | -60.6 | 75.4 | 162.6 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | E163 | S161-E163 PolarHBondContact O-N 2.78Š|
| 162 | K | 35 | Very low | 31.2 | Very low | 141 Ų | 141 | 112.5 Ų | 112.5 | 61% | 0.613 | 60% | 0.6 | S | S | * | * | | | trans | -69.5 | 121 | 170.9 | -72.6 | -170.9 | 179.1 | -179.5 | 0 | 106.6 | E160 V164 | E160-K162 HydrophobicContact CB-CG 4.26Å; E160-K162 PolarHBondContact O-N 3.12Å; E160-K162 WeakPolarHBondContact OE2-CE 3.5Å; E160-K162 IonicContact OE2-NZ 3.71Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 3.19Å |
| 163 | E | 28.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | | | trans | -52.5 | 100.8 | 170.5 | -74 | -177.7 | 146 | 0 | 0 | 108 | M152 S161 T165 | M152-E163 HydrophobicContact CE-CG 3.79Å; M152-E163 WeakPolarHBondContact CE-OE1 3.39Å; M152-E163 HydrophobicContact SD-CG 4.37Å; S161-E163 PolarHBondContact O-N 2.78Å; E163-T165 VanDerWaalsContact C-N 3.29Å; E163-T165 PolarHBondContact O-N 2.94Å |
| 164 | V | 34.3 | Very low | 30.6 | Very low | 77 Ų | 77 | 115.1 Ų | 115.1 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | | | trans | -71 | 97.2 | 168.5 | -179.7 | 0 | 0 | 0 | 0 | 104.7 | C153 K162 T166 | C153-V164 HydrophobicContact CB-CG2 4.41Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 3.19Å; V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 PolarHBondContact O-N 3.11Å |
| 165 | T | 27.6 | Very low | 30.1 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | | | trans | -58.1 | 99.1 | 171.7 | -42.9 | 0 | 0 | 0 | 0 | 107.3 | E163 T167 | E163-T165 VanDerWaalsContact C-N 3.29Å; E163-T165 PolarHBondContact O-N 2.94Å; T165-T167 VanDerWaalsContact C-N 3.27Å; T165-T167 PolarHBondContact O-N 2.82Å |
| 166 | T | 29.8 | Very low | 29.5 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 40% | 0.399 | 68% | 0.68 | S | S | . | * | | | trans | -72.1 | 86.9 | 176.2 | 37.8 | 0 | 0 | 0 | 0 | 106.9 | V164 P168 | V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 PolarHBondContact O-N 3.11Å; T166-P168 WeakPolarHBondContact O-CD 3.4Å; T166-P168 VanDerWaalsContact O-N 3.12Å |
| 167 | T | 25.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 71% | 0.712 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.8 | 164.5 | 41.2 | 0 | 0 | 0 | 0 | 107 | T165 I169 | T165-T167 VanDerWaalsContact C-N 3.27Å; T165-T167 PolarHBondContact O-N 2.82Å; T167-I169 PolarHBondContact O-N 2.8Å; T167-I169 VanDerWaalsContact O-N 3.12Å |
| 168 | P | 23 | Very low | 28.4 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -60 | 121 | -176 | 21.7 | -31.2 | 0 | 0 | 0 | 109.2 | T166 L170 | T166-P168 WeakPolarHBondContact O-CD 3.4Å; T166-P168 VanDerWaalsContact O-N 3.12Å; P168-L170 PolarHBondContact O-N 3.44Å |
| 169 | I | 28.6 | Very low | 28.1 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 62% | 0.621 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.8 | 168.6 | -60.4 | 170.9 | 0 | 0 | 0 | 105.9 | T167 N171 | T167-I169 PolarHBondContact O-N 2.8Å; T167-I169 VanDerWaalsContact O-N 3.12Å; I169-N171 PolarHBondContact O-N 3.3Å |
| 170 | L | 23.1 | Very low | 27.4 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 78% | 0.78 | 68% | 0.684 | S | S | * | * | | | trans | -39.7 | 112.3 | 177.9 | -77.4 | 158.3 | 0 | 0 | 0 | 110.1 | P168 F172 | P168-L170 PolarHBondContact O-N 3.44Å; L170-F172 PolarHBondContact O-N 2.64Å |
| 171 | N | 21.9 | Very low | 27 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 83% | 0.829 | 69% | 0.686 | S | S | * | * | | | trans | -67 | 97.8 | 177.7 | -160.2 | 4.7 | 0 | 0 | 0 | 106.8 | I169 G173 | I169-N171 PolarHBondContact O-N 3.3Å; N171-G173 PolarHBondContact O-N 2.82Å |
| 172 | F | 26.3 | Very low | 26.8 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | | | trans | -67 | 84.3 | 166.4 | -75.8 | -81.9 | 0 | 0 | 0 | 107 | L170 T174 | L170-F172 PolarHBondContact O-N 2.64Å; F172-T174 PolarHBondContact O-N 2.75Å |
| 173 | G | 22.7 | Very low | 26.3 | Very low | 42 Ų | 42 | 128.5 Ų | 128.5 | 43% | 0.433 | 70% | 0.699 | S | S | . | * | | | trans | -55.5 | 109.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | N171 N175 | N171-G173 PolarHBondContact O-N 2.82Å; G173-N175 PolarHBondContact O-N 2.7Å |
| 174 | T | 26.8 | Very low | 26.1 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 85% | 0.847 | 70% | 0.7 | S | S | * | * | | | trans | 30 | 32.5 | 137.3 | 54.5 | 0 | 0 | 0 | 0 | 119.5 | F172 T176 | F172-T174 PolarHBondContact O-N 2.75Å; T174-T176 PolarHBondContact O-N 3.47Å |
| 175 | N | 23.8 | Very low | 25.8 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | -94.3 | 83.7 | 164 | -84.3 | -16 | 0 | 0 | 0 | 108.4 | G173 | G173-N175 PolarHBondContact O-N 2.7Š|
| 176 | T | 24.8 | Very low | 25.9 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 70% | 0.703 | S | S | * | * | | | trans | -1 | 133.9 | 142.7 | 46.9 | 0 | 0 | 0 | 0 | 116.8 | T174 | T174-T176 PolarHBondContact O-N 3.47Š|
| 177 | R | 25 | Very low | 25.6 | Very low | 238 Ų | 238 | 130.8 Ų | 130.8 | 90% | 0.898 | 70% | 0.702 | S | S | * | * | | | trans | 76.6 | 82.4 | 155.2 | -62.3 | 172.3 | 177.5 | -168 | -0.7 | 116 | | |
| 178 | S | 25.4 | Very low | 25.9 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 46% | 0.462 | 70% | 0.699 | S | S | . | * | | | | 178.9 | 129.4 | 111 | 43.6 | 0 | 0 | 0 | 0 | 109 | Q180 | S178-Q180 PolarHBondContact O-N 3.04Š|
| 179 | A | 29 | Very low | 26 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 10 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 180 | Q | 26 | Very low | 25.7 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -15 | -178.2 | -71 | -177.6 | -21 | 0 | 0 | 113.4 | S178 | S178-Q180 PolarHBondContact O-N 3.04Š|
| 181 | F | 26.8 | Very low | 25.8 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 64% | 0.64 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -94.4 | -7 | -179.3 | -70.9 | -76.5 | 0 | 0 | 0 | 115.7 | N183 R184 | F181-N183 PolarHBondContact O-N 3.18Å; F181-R184 PolarHBondContact O-N 2.77Å |
| 182 | L | 28.8 | Very low | 25.8 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -20.4 | 175.2 | -77.2 | 167.2 | 0 | 0 | 0 | 113.1 | | |
| 183 | N | 24.8 | Very low | 25.9 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 10.1 | -179 | -73.1 | -34 | 0 | 0 | 0 | 113.9 | F181 P185 | F181-N183 PolarHBondContact O-N 3.18Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å |
| 184 | R | 24.3 | Very low | 26.3 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -85.6 | 106.8 | 170.9 | -165.5 | 172.2 | -180 | -151.9 | -0.8 | 107.8 | F181 L186 | F181-R184 PolarHBondContact O-N 2.77Å; R184-L186 PolarHBondContact O-N 3.28Å |
| 185 | P | 27.3 | Very low | 26.2 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | | | trans | -53.7 | 121.2 | 166.1 | 21.5 | -30.3 | 0 | 0 | 0 | 106.9 | N183 S187 | N183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-S187 PolarHBondContact O-N 2.94Å |
| 186 | L | 29.3 | Very low | 26.4 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 53% | 0.534 | 70% | 0.697 | S | S | . | * | | | trans | -55.3 | 107.2 | 174.1 | -72.9 | 156.6 | 0 | 0 | 0 | 106.1 | R184 S188 | R184-L186 PolarHBondContact O-N 3.28Å; L186-S188 PolarHBondContact O-N 2.92Å; L186-S188 VanDerWaalsContact O-N 3.16Å |
| 187 | S | 25 | Very low | 26.4 | Very low | 56 Ų | 56 | 136.6 Ų | 136.6 | 39% | 0.392 | 70% | 0.703 | S | S | . | * | | | trans | -53.8 | 127.3 | 171.9 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | P185 D189 | P185-S187 PolarHBondContact O-N 2.94Å; S187-D189 PolarHBondContact O-N 2.86Å; S187-D189 WeakPolarHBondContact OG-CB 3.5Å; S187-D189 PolarHBondContact OG-N 2.96Å; S187-D189 PolarHBondContact OG-OD2 3.22Å |
| 188 | S | 30.6 | Very low | 26.4 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -55.1 | -15.1 | 174.9 | 42.9 | 0 | 0 | 0 | 0 | 113.1 | L186 N190 Y191 | L186-S188 PolarHBondContact O-N 2.92Å; L186-S188 VanDerWaalsContact O-N 3.16Å; S188-N190 VanDerWaalsContact C-N 3.25Å; S188-N190 PolarHBondContact O-N 2.92Å; S188-Y191 PolarHBondContact O-N 3.45Å |
| 189 | D | 25.2 | Very low | 26.4 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -69.1 | -17.6 | -172.8 | -58 | -31.1 | 0 | 0 | 0 | 114.3 | S187 | S187-D189 PolarHBondContact O-N 2.86Å; S187-D189 WeakPolarHBondContact OG-CB 3.5Å; S187-D189 PolarHBondContact OG-N 2.96Å; S187-D189 PolarHBondContact OG-OD2 3.22Å |
| 190 | N | 23.6 | Very low | 26.1 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -98 | -1.4 | 178.8 | -79.5 | -11 | 0 | 0 | 0 | 114.3 | S188 L192 | S188-N190 VanDerWaalsContact C-N 3.25Å; S188-N190 PolarHBondContact O-N 2.92Å; N190-L192 PolarHBondContact O-N 3.31Å |
| 191 | Y | 23.7 | Very low | 26.1 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 48% | 0.475 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -79.5 | 118.6 | 169 | -66.5 | -81.9 | 0 | 0 | 0 | 108.1 | S188 T193 | S188-Y191 PolarHBondContact O-N 3.45Å; Y191-T193 PolarHBondContact O-N 2.84Å |
| 192 | L | 23.3 | Very low | 26.1 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | | | trans | -52.3 | 109.6 | 158.8 | -89.7 | 146.3 | 0 | 0 | 0 | 106.4 | N190 | N190-L192 PolarHBondContact O-N 3.31Š|
| 193 | T | 28.3 | Very low | 26 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | | | trans | -48.2 | 126.2 | 171.3 | 24.4 | 0 | 0 | 0 | 0 | 106.9 | Y191 T195 | Y191-T193 PolarHBondContact O-N 2.84Å; T193-T195 VanDerWaalsContact C-N 3.35Å; T193-T195 PolarHBondContact O-N 3.48Å |
| 194 | P | 30.6 | Very low | 25.9 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | | | trans | -55.5 | 106.5 | -180 | 17.9 | -28 | 0 | 0 | 0 | 107.2 | K196 | P194-K196 PolarHBondContact O-N 3.03Å; P194-K196 VanDerWaalsContact O-N 3.1Å |
| 195 | T | 25 | Very low | 26.1 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | trans | -62.9 | 120.4 | 179 | -4 | 0 | 0 | 0 | 0 | 104.1 | T193 Y197 | T193-T195 VanDerWaalsContact C-N 3.35Å; T193-T195 PolarHBondContact O-N 3.48Å; T195-Y197 VanDerWaalsContact C-N 3.27Å; T195-Y197 WeakPolarHBondContact O-CD2 3.24Å; T195-Y197 PolarHBondContact O-N 3.48Å |
| 196 | K | 27.8 | Very low | 25.9 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | | | trans | -51.7 | 92.5 | 178.6 | -164.3 | -177.5 | -170.1 | -177 | 0 | 107.5 | P194 S198 | P194-K196 PolarHBondContact O-N 3.03Å; P194-K196 VanDerWaalsContact O-N 3.1Å; K196-S198 VanDerWaalsContact C-N 3.29Å; K196-S198 PolarHBondContact O-N 3.16Å |
| 197 | Y | 23.7 | Very low | 25.7 | Very low | 206 Ų | 206 | 135.8 Ų | 135.8 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | -61.3 | 104.3 | 168.5 | -83.1 | -83.2 | 0 | 0 | 0 | 104.5 | T195 W199 | T195-Y197 VanDerWaalsContact C-N 3.27Å; T195-Y197 WeakPolarHBondContact O-CD2 3.24Å; T195-Y197 PolarHBondContact O-N 3.48Å; Y197-W199 PolarHBondContact O-N 3.11Å |
| 198 | S | 25.5 | Very low | 25.7 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | trans | -58.4 | 126.2 | 171.6 | 49.3 | 0 | 0 | 0 | 0 | 106.6 | K196 N200 | K196-S198 VanDerWaalsContact C-N 3.29Å; K196-S198 PolarHBondContact O-N 3.16Å; S198-N200 PolarHBondContact O-N 2.82Å |
| 199 | W | 26.7 | Very low | 25.3 | Very low | 247 Ų | 247 | 143.2 Ų | 143.2 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | | | trans | -66.9 | 81.5 | 178.6 | -69.5 | 26.6 | 0 | 0 | 0 | 109 | Y197 | Y197-W199 PolarHBondContact O-N 3.11Š|
| 200 | N | 22.7 | Very low | 25.4 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -93.1 | 88.4 | 160 | -92.9 | 1.2 | 0 | 0 | 0 | 107 | S198 | S198-N200 PolarHBondContact O-N 2.82Š|
| 201 | S | 25.6 | Very low | 25.4 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -124.4 | 91.1 | 166.3 | -67 | 0 | 0 | 0 | 0 | 108.5 | S203 | S201-S203 PolarHBondContact O-N 2.88Š|
| 202 | T | 26.9 | Very low | 25.5 | Very low | 152 Ų | 152 | 149 Ų | 149 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | | | trans | -71.3 | 39.9 | 167.6 | 37.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 203 | S | 26.1 | Very low | 25.7 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 55% | 0.545 | 79% | 0.786 | S | S | . | * | | | trans | -100.4 | 107.5 | 170.4 | 51.9 | 0 | 0 | 0 | 0 | 108.9 | S201 L205 | S201-S203 PolarHBondContact O-N 2.88Å; S203-L205 PolarHBondContact O-N 3.35Å |
| 204 | S | 23.6 | Very low | 25.6 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | -58.1 | 80.6 | 168.8 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | S206 | S204-S206 PolarHBondContact O-N 3.05Š|
| 205 | L | 26.6 | Very low | 25.3 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -79.5 | 97.5 | 160.9 | -88.9 | 147.3 | 0 | 0 | 0 | 106.2 | S203 E207 | S203-L205 PolarHBondContact O-N 3.35Å; L205-E207 PolarHBondContact O-N 2.77Å |
| 206 | S | 23.5 | Very low | 25.3 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -53.4 | 102.2 | 168.3 | 24.2 | 0 | 0 | 0 | 0 | 109.5 | S204 T208 | S204-S206 PolarHBondContact O-N 3.05Å; S206-T208 PolarHBondContact O-N 2.79Å |
| 207 | E | 26.4 | Very low | 25.6 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -65.2 | 68 | 167.2 | -70.3 | -178.3 | 153.4 | 0 | 0 | 110 | L205 | L205-E207 PolarHBondContact O-N 2.77Š|
| 208 | T | 23.6 | Very low | 25.9 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -113.3 | 59.4 | 169.1 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | S206 | S206-T208 PolarHBondContact O-N 2.79Š|
| 209 | M | 23.9 | Very low | 26.1 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | trans | -147.5 | 52.8 | 159.1 | -115.6 | -173.4 | -179.4 | 0 | 0 | 109.9 | H211 | M209-H211 PolarHBondContact O-N 3.05Š|
| 210 | T | 27.1 | Very low | 25.9 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -65 | 113.5 | 160.5 | 41.3 | 0 | 0 | 0 | 0 | 108.3 | R212 | T210-R212 PolarHBondContact O-N 3.36Š|
| 211 | H | 23.1 | Very low | 26.3 | Very low | 158 Ų | 158 | 138 Ų | 138 | 73% | 0.731 | 78% | 0.779 | S | S | * | * | | | trans | -51 | 128.1 | 168.2 | -106 | -105.5 | 0 | 0 | 0 | 109.4 | M209 V213 L214 | M209-H211 PolarHBondContact O-N 3.05Å; H211-V213 PolarHBondContact O-N 3.12Å; H211-L214 PolarHBondContact O-N 3.19Å |
| 212 | R | 25.8 | Very low | 26.3 | Very low | 251 Ų | 251 | 138.8 Ų | 138.8 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 1.4 | -173.9 | -95.7 | -169.5 | -177 | -177.9 | 1.9 | 116.7 | T210 | T210-R212 PolarHBondContact O-N 3.36Š|
| 213 | V | 28.1 | Very low | 26.3 | Very low | 134 Ų | 134 | 140 Ų | 140 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 23.4 | -173.3 | -162.2 | 0 | 0 | 0 | 0 | 112.3 | H211 | H211-V213 PolarHBondContact O-N 3.12Š|
| 214 | L | 25.4 | Very low | 26.4 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -119.1 | 128 | 169.6 | -70.1 | 168.3 | 0 | 0 | 0 | 109.2 | H211 | H211-L214 PolarHBondContact O-N 3.19Š|
| 215 | P | 25.1 | Very low | 26.4 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -61.5 | 138.7 | 176.3 | 24.1 | -30.4 | 0 | 0 | 0 | 109.6 | L217 | P215-L217 PolarHBondContact O-N 3.26Š|
| 216 | P | 25 | Very low | 26.3 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -59.5 | 136 | -178.5 | 21.2 | -30.5 | 0 | 0 | 0 | 111.2 | T218 | P216-T218 PolarHBondContact O-N 3.36Š|
| 217 | L | 34 | Very low | 26.5 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | | | trans | -71.1 | 55.2 | 172.3 | -72 | 153 | 0 | 0 | 0 | 110.7 | P215 | P215-L217 PolarHBondContact O-N 3.26Š|
| 218 | T | 28.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | | | trans | -93 | 108.1 | 160.9 | 44 | 0 | 0 | 0 | 0 | 106.8 | P216 A220 | P216-T218 PolarHBondContact O-N 3.36Å; T218-A220 PolarHBondContact O-N 3.48Å |
| 219 | N | 29.2 | Very low | 26.5 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -58.2 | 84.5 | 166.5 | -80 | -22.3 | 0 | 0 | 0 | 108.9 | L221 | N219-L221 PolarHBondContact O-N 2.9Š|
| 220 | A | 24 | Very low | 26.8 | Very low | 81 Ų | 81 | 143.9 Ų | 143.9 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -76 | 63.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | T218 T222 | T218-A220 PolarHBondContact O-N 3.48Å; A220-T222 PolarHBondContact O-N 3.16Å |
| 221 | L | 29.8 | Very low | 26.7 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -78.7 | 55.9 | 159 | -96.9 | 141.5 | 0 | 0 | 0 | 108 | N219 | N219-L221 PolarHBondContact O-N 2.9Š|
| 222 | T | 26.7 | Very low | 26.8 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | trans | -129.9 | 83 | 161.6 | 25 | 0 | 0 | 0 | 0 | 105 | A220 | A220-T222 PolarHBondContact O-N 3.16Š|
| 223 | E | 26.1 | Very low | 26.9 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -169.5 | 109.2 | 141.9 | -104 | 165.4 | -156.3 | 0 | 0 | 109.3 | C225 | E223-C225 PolarHBondContact O-N 2.61Š|
| 224 | Q | 28.6 | Very low | 26.8 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | 7.3 | 110.5 | 145.5 | -67.6 | 170.5 | -34.6 | 0 | 0 | 115.6 | | |
| 225 | C | 24.2 | Very low | 26.9 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -154.7 | 104.1 | 146.3 | -101.2 | 0 | 0 | 0 | 0 | 110.8 | E223 | E223-C225 PolarHBondContact O-N 2.61Š|
| 226 | N | 23.3 | Very low | 27 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | 50.2 | 119.2 | 150.2 | -95.8 | -30.9 | 0 | 0 | 0 | 119.5 | N228 | N226-N228 PolarHBondContact O-N 3.15Š|
| 227 | H | 29.3 | Very low | 27 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | | | trans | -57.4 | 72.2 | 146.3 | -83 | -66.3 | 0 | 0 | 0 | 110.5 | | |
| 228 | N | 24.1 | Very low | 26.6 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | | | trans | -97.3 | 127.9 | 148.8 | -78.8 | -23.2 | 0 | 0 | 0 | 106 | N226 V230 | N226-N228 PolarHBondContact O-N 3.15Å; N228-V230 VanDerWaalsContact C-N 3.27Å; N228-V230 PolarHBondContact O-N 3.36Å |
| 229 | S | 26 | Very low | 26.7 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -57.5 | 90.5 | 173.7 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | N231 | S229-N231 VanDerWaalsContact C-N 3.33Å; S229-N231 PolarHBondContact O-N 3.09Å |
| 230 | V | 29 | Very low | 26.6 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -68.3 | 104.3 | 161.4 | -178.5 | 0 | 0 | 0 | 0 | 104.9 | N228 N232 | N228-V230 VanDerWaalsContact C-N 3.27Å; N228-V230 PolarHBondContact O-N 3.36Å; V230-N232 VanDerWaalsContact C-N 3.29Å; V230-N232 PolarHBondContact O-N 3.38Å |
| 231 | N | 25.1 | Very low | 26.5 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | -44.7 | 97.7 | 164 | -115.9 | -28.2 | 0 | 0 | 0 | 108 | S229 H233 | S229-N231 VanDerWaalsContact C-N 3.33Å; S229-N231 PolarHBondContact O-N 3.09Å; N231-H233 PolarHBondContact O-N 3.09Å |
| 232 | N | 25.5 | Very low | 26.3 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | -75.6 | 78.2 | -178.5 | -148.5 | -4.2 | 0 | 0 | 0 | 107.3 | V230 N234 | V230-N232 VanDerWaalsContact C-N 3.29Å; V230-N232 PolarHBondContact O-N 3.38Å; N232-N234 VanDerWaalsContact C-N 3.29Å |
| 233 | H | 28.5 | Very low | 26.2 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 60% | 0.602 | 78% | 0.782 | S | S | * | * | | | trans | -104 | 44.3 | 162 | -74.3 | 67.9 | 0 | 0 | 0 | 109.3 | N231 T235 | N231-H233 PolarHBondContact O-N 3.09Å; H233-T235 PolarHBondContact O-N 2.79Å |
| 234 | N | 26.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -72.8 | 34.2 | 153.9 | -126.3 | 8.2 | 0 | 0 | 0 | 110.3 | N232 F236 | N232-N234 VanDerWaalsContact C-N 3.29Å; N234-F236 PolarHBondContact O-N 3.04Å |
| 235 | T | 26.6 | Very low | 26.2 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 57% | 0.571 | 77% | 0.774 | S | S | * | * | | | trans | -63.4 | 109.5 | 166.5 | 21.4 | 0 | 0 | 0 | 0 | 106 | H233 R237 | H233-T235 PolarHBondContact O-N 2.79Å; T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact O-N 3.04Å |
| 236 | F | 27.8 | Very low | 26.3 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -25.5 | 97.5 | 155.1 | -82.2 | -102.4 | 0 | 0 | 0 | 109.3 | N234 Y238 | N234-F236 PolarHBondContact O-N 3.04Å; F236-Y238 PolarHBondContact O-N 3.47Å |
| 237 | R | 24.7 | Very low | 26.5 | Very low | 223 Ų | 223 | 144.1 Ų | 144.1 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -69.7 | 87.7 | 173.1 | -69 | -169.1 | -174.6 | -155.5 | 3.3 | 105.4 | T235 F239 | T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact O-N 3.04Å; R237-F239 PolarHBondContact O-N 3.02Å; R237-F239 VanDerWaalsContact O-N 3.12Å |
| 238 | Y | 25.8 | Very low | 26.4 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -50.1 | 121.4 | 150.1 | -105.5 | -93.2 | 0 | 0 | 0 | 105.5 | F236 G240 | F236-Y238 PolarHBondContact O-N 3.47Å; Y238-G240 PolarHBondContact O-N 2.83Å |
| 239 | F | 29.3 | Very low | 26.6 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.7 | 118.3 | -178.4 | -65.2 | -93.4 | 0 | 0 | 0 | 113.2 | R237 | R237-F239 PolarHBondContact O-N 3.02Å; R237-F239 VanDerWaalsContact O-N 3.12Å |
| 240 | G | 27 | Very low | 26.7 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.8 | 15.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | Y238 | Y238-G240 PolarHBondContact O-N 2.83Š|
| 241 | V | 23.1 | Very low | 26.6 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -127.1 | 109.3 | 168.9 | -100.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 242 | S | 24.9 | Very low | 26.7 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -94 | 111.5 | 172.4 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 243 | S | 25.2 | Very low | 26.7 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -96.9 | 135.9 | 169 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 244 | P | 24.9 | Very low | 26.5 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -82.2 | 124 | -179 | 30.7 | -30.3 | 0 | 0 | 0 | 110.7 | | |
| 245 | I | 30.2 | Very low | 26.4 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -115.7 | 122.6 | 168 | -58.1 | 177.3 | 0 | 0 | 0 | 107.9 | N247 | I245-N247 PolarHBondContact O-N 3.19Š|
| 246 | I | 25.4 | Very low | 26.4 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | | | trans | -65 | 117.6 | 179.8 | -65.4 | 157.6 | 0 | 0 | 0 | 108.3 | D248 | I246-D248 PolarHBondContact O-N 2.82Å; I246-D248 VanDerWaalsContact O-N 3.08Å |
| 247 | N | 27.9 | Very low | 26.3 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -74.1 | 93.7 | 174.5 | -86.1 | -0.3 | 0 | 0 | 0 | 109.8 | I245 N249 | I245-N247 PolarHBondContact O-N 3.19Å; N247-N249 PolarHBondContact O-N 2.76Å |
| 248 | D | 27.6 | Very low | 26.6 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -86.2 | 87.2 | 159.5 | -131.2 | -22 | 0 | 0 | 0 | 107.6 | I246 S250 | I246-D248 PolarHBondContact O-N 2.82Å; I246-D248 VanDerWaalsContact O-N 3.08Å; D248-S250 PolarHBondContact O-N 2.74Å |
| 249 | N | 28.8 | Very low | 26.8 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -71.4 | 98.9 | -179.1 | -87.5 | -6.9 | 0 | 0 | 0 | 110.3 | N247 | N247-N249 PolarHBondContact O-N 2.76Š|
| 250 | S | 26.7 | Very low | 26.9 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -66.2 | 133.3 | 164.9 | -56.5 | 0 | 0 | 0 | 0 | 111 | D248 | D248-S250 PolarHBondContact O-N 2.74Š|
| 251 | P | 26.9 | Very low | 27.1 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -101 | 128.5 | 164.3 | 33.1 | -24.3 | 0 | 0 | 0 | 111.5 | | |
| 252 | S | 27.1 | Very low | 27.5 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | 50.1 | 128 | 139.1 | 63.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 253 | G | 25.7 | Very low | 28.2 | Very low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 162.6 | 99.5 | 153 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 254 | Y | 24 | Very low | 28.7 | Very low | 232 Ų | 232 | 126.9 Ų | 126.9 | 91% | 0.91 | 79% | 0.785 | S | S | * | * | | | trans | 3.4 | 141.6 | 144.4 | -55.4 | -89.6 | 0 | 0 | 0 | 120.7 | | |
| 255 | D | 25.2 | Very low | 29.3 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | | 131 | 136.4 | 124.1 | -144.4 | -13.7 | 0 | 0 | 0 | 116.2 | | |
| 256 | S | 26.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 62% | 0.622 | 79% | 0.791 | S | S | * | * | | | trans | 81.9 | 110.4 | 149.9 | -69.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 257 | S | 26.5 | Very low | 30.1 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | 47.8 | 94.2 | 130.3 | -44.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 258 | N | 29.8 | Very low | 30.7 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -160 | 118 | 139.4 | -105.3 | -9.6 | 0 | 0 | 0 | 111.4 | S260 | N258-S260 PolarHBondContact O-N 3.01Š|
| 259 | G | 29.5 | Very low | 31.3 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | trans | -61 | 130 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 260 | S | 32.3 | Very low | 31.5 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -143 | 125.6 | 153.1 | 56 | 0 | 0 | 0 | 0 | 107.7 | N258 S262 | N258-S260 PolarHBondContact O-N 3.01Å; S260-S262 PolarHBondContact O-N 3.45Å |
| 261 | S | 31.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 133.1 | -176.5 | -45.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 262 | S | 31.3 | Very low | 32.7 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.2 | 178.3 | -48.2 | 0 | 0 | 0 | 0 | 110.8 | S260 S264 | S260-S262 PolarHBondContact O-N 3.45Å; S262-S264 PolarHBondContact O-N 3.22Å |
| 263 | P | 39.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.9 | -179.9 | 25 | -31.7 | 0 | 0 | 0 | 109.5 | V265 | P263-V265 PolarHBondContact O-N 3.49Š|
| 264 | S | 37.4 | Very low | 33.7 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 125 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 110 | S262 L266 | S262-S264 PolarHBondContact O-N 3.22Å; S264-L266 PolarHBondContact O-N 2.68Å |
| 265 | V | 37.2 | Very low | 34.5 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 119.5 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | P263 D267 | P263-V265 PolarHBondContact O-N 3.49Å; V265-D267 PolarHBondContact O-N 3.29Å |
| 266 | L | 37.1 | Very low | 35 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -59.3 | 106.6 | 166.9 | -106 | 135 | 0 | 0 | 0 | 107.5 | S264 L268 | S264-L266 PolarHBondContact O-N 2.68Å; L266-L268 PolarHBondContact O-N 3Å |
| 267 | D | 34 | Very low | 35.5 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | | | trans | -67.8 | 100.8 | 174.3 | -173.8 | 0.4 | 0 | 0 | 0 | 109.1 | V265 T269 G270 | V265-D267 PolarHBondContact O-N 3.29Å; D267-T269 PolarHBondContact O-N 3.17Å; D267-T269 VanDerWaalsContact O-N 3.09Å; D267-T269 WeakPolarHBondContact OD1-CB 3.4Å; D267-T269 PolarHBondContact OD1-N 3.23Å; D267-T269 VanDerWaalsContact OD1-N 3.09Å; D267-T269 PolarHBondContact OD1-OG1 3.08Å; D267-T269 PolarHBondContact OD2-OG1 3.37Å; D267-G270 PolarHBondContact O-N 2.65Å |
| 268 | L | 41.2 | Very low | 36.1 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 5.3 | 178.2 | -80.2 | 142.8 | 0 | 0 | 0 | 113.3 | L266 | L266-L268 PolarHBondContact O-N 3Š|
| 269 | T | 41 | Very low | 36.6 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -6 | 172 | 65 | 0 | 0 | 0 | 0 | 113.8 | D267 D271 | D267-T269 PolarHBondContact O-N 3.17Å; D267-T269 VanDerWaalsContact O-N 3.09Å; D267-T269 WeakPolarHBondContact OD1-CB 3.4Å; D267-T269 PolarHBondContact OD1-N 3.23Å; D267-T269 VanDerWaalsContact OD1-N 3.09Å; D267-T269 PolarHBondContact OD1-OG1 3.08Å; D267-T269 PolarHBondContact OD2-OG1 3.37Å; T269-D271 PolarHBondContact O-N 3.25Å |
| 270 | G | 32.3 | Very low | 37.3 | Very low | 61 Ų | 61 | 129.2 Ų | 129.2 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -80 | 108.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D267 | D267-G270 PolarHBondContact O-N 2.65Š|
| 271 | D | 35.6 | Very low | 37.5 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | -3.1 | 121 | 164.2 | -142.3 | -13.9 | 0 | 0 | 0 | 118.1 | T269 R273 | T269-D271 PolarHBondContact O-N 3.25Å; D271-R273 PolarHBondContact O-N 3.48Å |
| 272 | V | 42.2 | Very low | 37.8 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -74.2 | 56.7 | -175.4 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 273 | R | 37.9 | Very low | 38.2 | Very low | 198 Ų | 198 | 124.4 Ų | 124.4 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | | | trans | -123.1 | 129.3 | 173.2 | -61.1 | -172.7 | -177.7 | -155.8 | -0.5 | 108.4 | D271 | D271-R273 PolarHBondContact O-N 3.48Š|
| 274 | T | 36.1 | Very low | 38.6 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | | | trans | 82.8 | 83.7 | 171.3 | 60.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 275 | V | 42.2 | Very low | 39 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | | | trans | -113.1 | 98.2 | 142.3 | -158.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 276 | N | 34.4 | Very low | 39 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | | | trans | -74.4 | 123 | 178 | -93 | -10.5 | 0 | 0 | 0 | 109.6 | | |
| 277 | F | 37.4 | Very low | 39.7 | Very low | 193 Ų | 193 | 132 Ų | 132 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | | | trans | -78.6 | 130.1 | 176.4 | -72.1 | -88.3 | 0 | 0 | 0 | 110.9 | S279 | F277-S279 PolarHBondContact O-N 3.16Š|
| 278 | V | 39.3 | Very low | 40 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 41% | 0.406 | 72% | 0.716 | S | S | . | * | | | trans | -82.6 | 112.2 | 172.9 | -163 | 0 | 0 | 0 | 0 | 108.3 | L13 A14 H280 | L13-V278 HydrophobicContact CD2-CB 3.95Å; L13-V278 HydrophobicContact CD2-CG1 3.67Å; L13-V278 HydrophobicContact CD2-CG2 3.17Å; L13-V278 HydrophobicContact CG-CG2 4.41Å; A14-V278 HydrophobicContact CB-CG1 4.35Å; V278-H280 PolarHBondContact O-N 3.04Å |
| 279 | S | 38.9 | Very low | 40 | Very low | 63 Ų | 63 | 130.8 Ų | 130.8 | 44% | 0.441 | 71% | 0.706 | S | S | . | * | | | trans | -70.9 | 106.3 | 177.7 | 19.6 | 0 | 0 | 0 | 0 | 110.7 | S15 F277 D281 | S15-S279 WeakPolarHBondContact CB-O 3.34Å; S15-S279 VanDerWaalsContact OG-CB 3.24Å; S15-S279 WeakPolarHBondContact OG-CB 3.06Å; S15-S279 PolarHBondContact OG-O 2.82Å; S15-S279 PolarHBondContact OG-OG 2.79Å; F277-S279 PolarHBondContact O-N 3.16Å; S279-D281 PolarHBondContact O-N 2.74Å |
| 280 | H | 44.3 | Very low | 39.9 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 82% | 0.819 | 70% | 0.704 | S | S | * | * | | | trans | -81.7 | 61.2 | 174.1 | -77.3 | -49 | 0 | 0 | 0 | 111.9 | V278 Q282 | V278-H280 PolarHBondContact O-N 3.04Å; H280-Q282 VanDerWaalsContact C-N 3.33Å; H280-Q282 PolarHBondContact O-N 2.75Å |
| 281 | D | 36.1 | Very low | 40.3 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 48% | 0.476 | 71% | 0.709 | S | S | . | * | | | trans | -79.5 | 89.7 | 157.6 | -101 | -6.5 | 0 | 0 | 0 | 104 | G16 L17 S279 | G16-D281 CarbonylContact C-O 3.59Å; G16-D281 WeakPolarHBondContact CA-O 3.48Å; G16-D281 PolarHBondContact N-O 3.43Å; G16-D281 VanDerWaalsContact N-O 3.16Å; L17-D281 WeakPolarHBondContact CA-O 3.41Å; L17-D281 HydrophobicContact CD1-CB 3.33Å; L17-D281 WeakPolarHBondContact CD1-OD1 3.19Å; L17-D281 HydrophobicContact CD2-CB 3.73Å; L17-D281 WeakPolarHBondContact CD2-OD1 3.3Å; L17-D281 HydrophobicContact CG-CB 3.26Å; L17-D281 WeakPolarHBondContact CG-O 3.34Å; L17-D281 PolarHBondContact N-O 3.14Å; S279-D281 PolarHBondContact O-N 2.74Å |
| 282 | Q | 38.5 | Very low | 40.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 59% | 0.589 | 71% | 0.709 | S | S | * | * | | | trans | -156.4 | 112.3 | 146.3 | -168.9 | 147.2 | 36.9 | 0 | 0 | 119.9 | G16 L17 S18 H280 | G16-Q282 WeakPolarHBondContact O-CG 3.43Å; G16-Q282 PolarHBondContact O-NE2 3.08Å; G16-Q282 PolarHBondContact O-OE1 3.33Å; L17-Q282 VanDerWaalsContact CD2-N 3.35Å; S18-Q282 WeakPolarHBondContact OG-CG 3.12Å; S18-Q282 PolarHBondContact OG-NE2 2.67Å; S18-Q282 VanDerWaalsContact OG-NE2 3.14Å; H280-Q282 VanDerWaalsContact C-N 3.33Å; H280-Q282 PolarHBondContact O-N 2.75Å |
| 283 | P | 39.7 | Very low | 40.5 | Very low | 26 Ų | 26 | 134.8 Ų | 134.8 | 17% | 0.169 | 70% | 0.696 | C | S | . | * | | | trans | -83.4 | 167 | 178.4 | 1.9 | 19.7 | 0 | 0 | 0 | 116.1 | L17 S18 D19 | L17-P283 VanDerWaalsContact CB-CD 3.48Å; L17-P283 HydrophobicContact CB-CG 4.22Å; L17-P283 HydrophobicContact CD2-CG 3.58Å; L17-P283 HydrophobicContact CG-CG 4.43Å; S18-P283 CarbonylContact O-C 3.57Å; S18-P283 WeakPolarHBondContact O-CA 3.18Å; S18-P283 WeakPolarHBondContact O-CB 3.49Å; S18-P283 WeakPolarHBondContact O-CD 3.45Å; S18-P283 VanDerWaalsContact O-CG 3.3Å; S18-P283 WeakPolarHBondContact O-CG 3.15Å; S18-P283 PolarHBondContact OG-O 3.15Å; D19-P283 VanDerWaalsContact N-CG 3.35Å |
| 284 | P | 47.5 | Very low | 40.7 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | | | trans | -105.6 | 140.9 | -166.2 | 5.4 | 18 | 0 | 0 | 0 | 115.1 | | |
| 285 | L | 46.9 | Very low | 41.1 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 87% | 0.869 | 69% | 0.685 | S | S | * | * | | | trans | -68.9 | 134.6 | 179.1 | -86.7 | 143.5 | 0 | 0 | 0 | 114.4 | | |
| 286 | R | 36.4 | Very low | 41 | Very low | 204 Ų | 204 | 130.4 Ų | 130.4 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | | | trans | -63.8 | 143 | 172.4 | -75.4 | 172 | 156.1 | 179.9 | -6.5 | 113.8 | | |
| 287 | T | 52.3 | Low | 41.6 | Very low | 218 Ų | 218 | 130.7 Ų | 130.7 | 100% | 1.337 | 68% | 0.675 | S | S | * | * | | | trans | -153.4 | 0 | 132.4 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | | |