| 1 | M | 41.5 | Very low | 58.7 | Low | 244 Ų | 244 | 155.2 Ų | 155.2 | 100% | 1.202 | 78% | 0.776 | S | S | * | * | | | | 0 | 112 | 0 | -70 | 169.7 | 171.7 | 0 | 0 | 107.2 | | |
| 2 | V | 43.5 | Very low | 59.9 | Low | 143 Ų | 143 | 151.5 Ų | 151.5 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | trans | -104.1 | 120.5 | 177 | 179 | 0 | 0 | 0 | 0 | 107.3 | E4 | V2-E4 PolarHBondContact O-N 2.96Š|
| 3 | S | 42.7 | Very low | 61 | Low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | trans | -68.7 | 119.4 | -179.2 | -50.4 | 0 | 0 | 0 | 0 | 110.2 | I5 | S3-I5 PolarHBondContact O-N 3.47Å; S3-I5 VanDerWaalsContact O-N 3.11Å |
| 4 | E | 43.8 | Very low | 62 | Low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 72% | 0.723 | S | S | * | * | | | trans | -67.7 | 110.5 | 175 | -67.9 | -162.1 | 145.9 | 0 | 0 | 110.4 | V2 | V2-E4 PolarHBondContact O-N 2.96Š|
| 5 | I | 64.6 | Low | 62.9 | Low | 150 Ų | 150 | 140.9 Ų | 140.9 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | | | trans | -69.7 | 123.3 | 171.4 | -61.4 | 169.9 | 0 | 0 | 0 | 107.6 | S3 R7 | S3-I5 PolarHBondContact O-N 3.47Å; S3-I5 VanDerWaalsContact O-N 3.11Å; I5-R7 PolarHBondContact O-N 3.27Å; I5-R7 VanDerWaalsContact O-N 3.15Å |
| 6 | P | 56.8 | Low | 63.2 | Low | 111 Ų | 111 | 137.2 Ų | 137.2 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | | | trans | -62.2 | 121.9 | -179.7 | 24.6 | -33.1 | 0 | 0 | 0 | 109.8 | R8 | P6-R8 PolarHBondContact O-N 3.39Š|
| 7 | R | 55.4 | Low | 63.8 | Low | 240 Ų | 240 | 133.2 Ų | 133.2 | 91% | 0.906 | 67% | 0.671 | S | S | * | * | | | trans | -61.6 | 108.6 | 179 | -69 | 179.8 | 179.6 | 159.9 | 1.8 | 109.1 | I5 S9 | I5-R7 PolarHBondContact O-N 3.27Å; I5-R7 VanDerWaalsContact O-N 3.15Å; R7-S9 PolarHBondContact O-N 3.21Å |
| 8 | R | 69.2 | Low | 63.9 | Low | 180 Ų | 180 | 132.1 Ų | 132.1 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | | | trans | -50.8 | 129.3 | 174.6 | -65.8 | -172.9 | -176.7 | -170.7 | 1.3 | 109.7 | P6 | P6-R8 PolarHBondContact O-N 3.39Š|
| 9 | S | 76 | Confident | 64 | Low | 63 Ų | 63 | 130.2 Ų | 130.2 | 44% | 0.441 | 66% | 0.662 | S | S | . | * | | | trans | -48.2 | 143.2 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | R7 F11 H12 R13 | R7-S9 PolarHBondContact O-N 3.21Å; S9-F11 PolarHBondContact O-N 3.44Å; S9-F11 PolarHBondContact OG-N 3.28Å; S9-H12 WeakPolarHBondContact O-CB 3.41Å; S9-H12 PolarHBondContact O-N 3.43Å; S9-R13 PolarHBondContact O-N 2.95Å |
| 10 | I | 77.6 | Confident | 63.7 | Low | 118 Ų | 118 | 126.9 Ų | 126.9 | 61% | 0.605 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -58.8 | -30.7 | 177.4 | -149.9 | 165.5 | 0 | 0 | 0 | 111.3 | H12 R13 I14 | I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.12Å; I10-R13 PolarHBondContact O-N 3.48Å; I10-I14 WeakPolarHBondContact O-CG1 3.2Å; I10-I14 PolarHBondContact O-N 3.11Å |
| 11 | F | 74.6 | Confident | 63.3 | Low | 159 Ų | 159 | 129.4 Ų | 129.4 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63 | -34.8 | 173.2 | -69.7 | -82.1 | 0 | 0 | 0 | 113.2 | S9 I14 A15 | S9-F11 PolarHBondContact O-N 3.44Å; S9-F11 PolarHBondContact OG-N 3.28Å; F11-I14 PolarHBondContact O-N 2.79Å; F11-A15 WeakPolarHBondContact O-CB 3.31Å; F11-A15 PolarHBondContact O-N 3.01Å |
| 12 | H | 72.8 | Confident | 63.8 | Low | 111 Ų | 111 | 122.6 Ų | 122.6 | 51% | 0.514 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69 | -40.3 | 175.4 | -115 | -28.2 | 0 | 0 | 0 | 111.1 | S9 I10 I14 A15 D16 | S9-H12 WeakPolarHBondContact O-CB 3.41Å; S9-H12 PolarHBondContact O-N 3.43Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.12Å; H12-I14 VanDerWaalsContact C-N 3.29Å; H12-I14 PolarHBondContact O-N 3.05Å; H12-A15 PolarHBondContact O-N 2.88Å; H12-D16 WeakPolarHBondContact O-CB 3.16Å; H12-D16 PolarHBondContact O-N 3.37Å |
| 13 | R | 74 | Confident | 63.7 | Low | 165 Ų | 165 | 119.8 Ų | 119.8 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.9 | -35.3 | 174.7 | -61.2 | -176 | -175.4 | -172.9 | -2.1 | 112.5 | S9 I10 S17 | S9-R13 PolarHBondContact O-N 2.95Å; I10-R13 PolarHBondContact O-N 3.48Å; R13-S17 WeakPolarHBondContact O-CB 3.46Å; R13-S17 PolarHBondContact O-N 2.96Å |
| 14 | I | 75.9 | Confident | 63.9 | Low | 87 Ų | 87 | 120.6 Ų | 120.6 | 45% | 0.446 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.9 | -41.6 | 175.4 | -66.8 | 163.5 | 0 | 0 | 0 | 110.5 | I10 F11 H12 S17 I18 | I10-I14 WeakPolarHBondContact O-CG1 3.2Å; I10-I14 PolarHBondContact O-N 3.11Å; F11-I14 PolarHBondContact O-N 2.79Å; H12-I14 VanDerWaalsContact C-N 3.29Å; H12-I14 PolarHBondContact O-N 3.05Å; I14-S17 WeakPolarHBondContact O-CB 3.31Å; I14-S17 PolarHBondContact O-N 3.04Å; I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 2.75Å |
| 15 | A | 74.7 | Confident | 64.3 | Low | 44 Ų | 44 | 116.4 Ų | 116.4 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.6 | -50.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F11 H12 S17 I18 T19 | F11-A15 WeakPolarHBondContact O-CB 3.31Å; F11-A15 PolarHBondContact O-N 3.01Å; H12-A15 PolarHBondContact O-N 2.88Å; A15-S17 VanDerWaalsContact C-N 3.25Å; A15-S17 PolarHBondContact O-N 3.4Å; A15-I18 PolarHBondContact O-N 3.11Å; A15-T19 PolarHBondContact O-N 3.42Å; A15-T19 PolarHBondContact O-OG1 2.78Å; A15-T19 VanDerWaalsContact O-OG1 3.11Å |
| 16 | D | 68.8 | Low | 63.8 | Low | 81 Ų | 81 | 116.1 Ų | 116.1 | 43% | 0.433 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.6 | -38.5 | 177.5 | -64.6 | -14.3 | 0 | 0 | 0 | 111.3 | H12 T19 G20 | H12-D16 WeakPolarHBondContact O-CB 3.16Å; H12-D16 PolarHBondContact O-N 3.37Å; D16-T19 WeakPolarHBondContact CA-OG1 3.37Å; D16-T19 PolarHBondContact O-OG1 3.43Å; D16-T19 VanDerWaalsContact O-OG1 3.04Å; D16-G20 PolarHBondContact O-N 2.86Å |
| 17 | S | 73.5 | Confident | 63.2 | Low | 70 Ų | 70 | 118.2 Ų | 118.2 | 49% | 0.49 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.3 | -43.1 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | R13 I14 A15 G20 F21 | R13-S17 WeakPolarHBondContact O-CB 3.46Å; R13-S17 PolarHBondContact O-N 2.96Å; I14-S17 WeakPolarHBondContact O-CB 3.31Å; I14-S17 PolarHBondContact O-N 3.04Å; A15-S17 VanDerWaalsContact C-N 3.25Å; A15-S17 PolarHBondContact O-N 3.4Å; S17-G20 PolarHBondContact O-N 2.84Å; S17-F21 WeakPolarHBondContact O-CD2 3.16Å |
| 18 | I | 64.9 | Low | 62.5 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.8 | -39 | -179.9 | -67.2 | 164.4 | 0 | 0 | 0 | 111.1 | I14 A15 G20 F21 | I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 2.75Å; A15-I18 PolarHBondContact O-N 3.11Å; I18-G20 VanDerWaalsContact C-N 3.27Å; I18-G20 PolarHBondContact O-N 2.94Å; I18-F21 PolarHBondContact O-N 2.97Å |
| 19 | T | 65.9 | Low | 61.1 | Low | 96 Ų | 96 | 108.9 Ų | 108.9 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.2 | -26.2 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | A15 D16 F21 V22 | A15-T19 PolarHBondContact O-N 3.42Å; A15-T19 PolarHBondContact O-OG1 2.78Å; A15-T19 VanDerWaalsContact O-OG1 3.11Å; D16-T19 WeakPolarHBondContact CA-OG1 3.37Å; D16-T19 PolarHBondContact O-OG1 3.43Å; D16-T19 VanDerWaalsContact O-OG1 3.04Å; T19-F21 PolarHBondContact O-N 2.85Å; T19-V22 PolarHBondContact O-N 2.86Å |
| 20 | G | 56.8 | Low | 59.7 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -9.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D16 S17 I18 | D16-G20 PolarHBondContact O-N 2.86Å; S17-G20 PolarHBondContact O-N 2.84Å; I18-G20 VanDerWaalsContact C-N 3.27Å; I18-G20 PolarHBondContact O-N 2.94Å |
| 21 | F | 55.8 | Low | 57.9 | Low | 179 Ų | 179 | 113.9 Ų | 113.9 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 5 | 178.3 | -86 | -81.1 | 0 | 0 | 0 | 114.5 | S17 I18 T19 P23 | S17-F21 WeakPolarHBondContact O-CD2 3.16Å; I18-F21 PolarHBondContact O-N 2.97Å; T19-F21 PolarHBondContact O-N 2.85Å; F21-P23 WeakPolarHBondContact O-CD 3.43Å |
| 22 | V | 52.6 | Low | 56.4 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -96.5 | 114 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | T19 S24 | T19-V22 PolarHBondContact O-N 2.86Å; V22-S24 PolarHBondContact O-N 3.46Å |
| 23 | P | 41.9 | Very low | 55.2 | Low | 84 Ų | 84 | 111.6 Ų | 111.6 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | | | trans | -63.5 | 126.8 | 172.3 | -18.1 | 31.4 | 0 | 0 | 0 | 109.8 | F21 S25 | F21-P23 WeakPolarHBondContact O-CD 3.43Å; P23-S25 PolarHBondContact O-N 3.3Å |
| 24 | S | 47.1 | Very low | 53.5 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 32.4 | 179.6 | -45.9 | 0 | 0 | 0 | 0 | 114.1 | V22 | V22-S24 PolarHBondContact O-N 3.46Š|
| 25 | S | 52.1 | Low | 51.7 | Low | 103 Ų | 103 | 110.2 Ų | 110.2 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 2.1 | -165 | -44.6 | 0 | 0 | 0 | 0 | 113.9 | P23 | P23-S25 PolarHBondContact O-N 3.3Š|
| 26 | I | 53.2 | Low | 49.7 | Very low | 144 Ų | 144 | 117.9 Ų | 117.9 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -123.2 | -1.4 | -169.1 | -54.8 | 179 | 0 | 0 | 0 | 112.4 | | |
| 27 | L | 44 | Very low | 48.2 | Very low | 155 Ų | 155 | 119.2 Ų | 119.2 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -91 | 125 | 171.5 | -75.3 | 165.8 | 0 | 0 | 0 | 109.9 | T29 | L27-T29 PolarHBondContact O-N 2.66Š|
| 28 | P | 42 | Very low | 46.5 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | trans | -67.3 | 128.3 | 173.4 | 28.1 | -32.8 | 0 | 0 | 0 | 109.4 | I30 | P28-I30 PolarHBondContact O-N 3.4Š|
| 29 | T | 39.7 | Very low | 45.3 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | | | trans | -64.9 | 99.7 | 174.2 | -44.2 | 0 | 0 | 0 | 0 | 109.2 | L27 D31 | L27-T29 PolarHBondContact O-N 2.66Å; T29-D31 PolarHBondContact O-N 3.37Å |
| 30 | I | 46.5 | Very low | 43.8 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | -81.7 | 93.9 | 167.1 | -54.7 | -179.4 | 0 | 0 | 0 | 106.6 | P28 V32 | P28-I30 PolarHBondContact O-N 3.4Å; I30-V32 HydrophobicContact CG2-CG2 3.78Å; I30-V32 PolarHBondContact O-N 3.08Å |
| 31 | D | 38.4 | Very low | 42.9 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | -65.3 | 94 | 170.5 | -78.6 | -43.7 | 0 | 0 | 0 | 109.8 | T29 | T29-D31 PolarHBondContact O-N 3.37Š|
| 32 | V | 44.4 | Very low | 41.8 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | | | trans | -95.1 | 115 | 167.8 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | I30 | I30-V32 HydrophobicContact CG2-CG2 3.78Å; I30-V32 PolarHBondContact O-N 3.08Å |
| 33 | P | 46.4 | Very low | 41 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | trans | -67 | 144.9 | 178.7 | 27.7 | -34.1 | 0 | 0 | 0 | 110.9 | A35 | P33-A35 PolarHBondContact O-N 3.37Å; P33-A35 VanDerWaalsContact O-N 3.12Å |
| 34 | P | 38.9 | Very low | 40.8 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -68.4 | 114 | -177.2 | 27.1 | -33.7 | 0 | 0 | 0 | 110.8 | K36 | P34-K36 PolarHBondContact O-N 2.9Š|
| 35 | A | 37.8 | Very low | 40.3 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -65 | 131.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P33 | P33-A35 PolarHBondContact O-N 3.37Å; P33-A35 VanDerWaalsContact O-N 3.12Å |
| 36 | K | 32.3 | Very low | 39.3 | Very low | 205 Ų | 205 | 139 Ų | 139 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | | | trans | -74.2 | 126.9 | 172.4 | -60.3 | 173.9 | -178 | 177.2 | 0 | 108.7 | P34 | P34-K36 PolarHBondContact O-N 2.9Š|
| 37 | S | 38.2 | Very low | 38.8 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -140.5 | 117 | 164 | 59.6 | 0 | 0 | 0 | 0 | 108.7 | D39 | S37-D39 PolarHBondContact O-N 2.58Š|
| 38 | D | 38.1 | Very low | 38.4 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -68.8 | 126.8 | -179.1 | -55.9 | -78.3 | 0 | 0 | 0 | 111.1 | | |
| 39 | D | 38.5 | Very low | 38 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -92.2 | 135 | 168.5 | -151.1 | -9.2 | 0 | 0 | 0 | 107 | S37 | S37-D39 PolarHBondContact O-N 2.58Š|
| 40 | P | 35.4 | Very low | 37.9 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | | -152.5 | 133.8 | 109.7 | 37 | -19.6 | 0 | 0 | 0 | 115.3 | | |
| 41 | L | 36.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | | 176.5 | 132.1 | 103.2 | -93.5 | 169.3 | 0 | 0 | 0 | 112.9 | | |
| 42 | K | 34 | Very low | 37.3 | Very low | 210 Ų | 210 | 142 Ų | 142 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | | | trans | -90.6 | 150.2 | 170.3 | -77 | 176.2 | 176 | 170.2 | 0 | 112.1 | | |
| 43 | G | 35.3 | Very low | 37.1 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | 120.2 | 129.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 44 | V | 38.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | | | cis | -149.7 | 159.6 | 47.8 | 157.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 45 | L | 35.8 | Very low | 36.7 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | trans | -81.5 | 150.6 | -178.3 | -79.3 | 161.8 | 0 | 0 | 0 | 114.3 | | |
| 46 | R | 32.2 | Very low | 36.5 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | 40.7 | 126.7 | 140.8 | -62 | 173.8 | 167.6 | 133 | -2.8 | 117.2 | | |
| 47 | T | 40.9 | Very low | 36.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | | -173.3 | 154.4 | 84.6 | 25.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 48 | N | 36 | Very low | 37 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | 63.7 | 116.4 | 145.5 | -61.8 | -23.6 | 0 | 0 | 0 | 123.1 | | |
| 49 | L | 34.4 | Very low | 37 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | 55 | 110 | 133 | -92.1 | 71.8 | 0 | 0 | 0 | 121.4 | | |
| 50 | K | 37.8 | Very low | 37 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | | 77.7 | 105.6 | 111.2 | -163.5 | -179.5 | -175 | -177.9 | 0 | 119 | | |
| 51 | R | 35.1 | Very low | 37.2 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | trans | 81.9 | 113.6 | 143.5 | -77.3 | -176.1 | -177.3 | 155.1 | 0.7 | 119.8 | | |
| 52 | T | 37.3 | Very low | 37.2 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | | 74.1 | 128.3 | 127.8 | 56.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 53 | N | 39.7 | Very low | 37.3 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | 93.4 | 109 | 150.2 | -61.5 | 3.9 | 0 | 0 | 0 | 118.1 | | |
| 54 | D | 39 | Very low | 37.4 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | | 78.6 | 117.5 | 124.8 | -56.8 | -24.4 | 0 | 0 | 0 | 121.5 | | |
| 55 | V | 38.1 | Very low | 37.4 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | 67.6 | 112.1 | 145.6 | -175.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 56 | L | 34 | Very low | 37.5 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | trans | -134.8 | 135.5 | 151 | -172.5 | 72.4 | 0 | 0 | 0 | 108.3 | | |
| 57 | D | 39.5 | Very low | 37.8 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | | | trans | -142.3 | 148.4 | 160.2 | -153 | -13.4 | 0 | 0 | 0 | 109.3 | | |
| 58 | H | 41.6 | Very low | 37.5 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | 68.7 | 154.3 | 173.7 | -49.9 | -5.8 | 0 | 0 | 0 | 117.6 | | |
| 59 | C | 38.2 | Very low | 37.4 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | cis | -174.8 | 141.1 | -44 | -117.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 60 | S | 38.5 | Very low | 37.2 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | 63.7 | 155.1 | 152.5 | -49.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 61 | E | 38.6 | Very low | 37 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | cis | -160.9 | 151.8 | -13.5 | -134.7 | -175.7 | 124.3 | 0 | 0 | 111.4 | | |
| 62 | S | 35.9 | Very low | 37.1 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 59.2 | 144.1 | 146.7 | 79.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 63 | G | 37.5 | Very low | 36.8 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | 177.6 | 11.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 64 | L | 36 | Very low | 36.9 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 32.4 | 113 | 148.5 | -103.8 | 148.5 | 0 | 0 | 0 | 121.5 | | |
| 65 | K | 39.1 | Very low | 36.6 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | | 146.6 | 112.3 | 120.4 | -79.5 | 165.1 | -172.6 | 175.1 | 0 | 117 | | |
| 66 | N | 38 | Very low | 36.6 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | | 36.2 | 115.5 | 124.6 | -47.7 | -9.3 | 0 | 0 | 0 | 120.7 | | |
| 67 | K | 39.7 | Very low | 36.5 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | | 179.6 | 151 | 95.9 | -99.4 | 174.2 | 179 | 177.1 | 0 | 112.4 | | |
| 68 | A | 33.2 | Very low | 36.4 | Very low | 90 Ų | 90 | 151 Ų | 151 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | -85.6 | 160.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 69 | W | 35 | Very low | 36.4 | Very low | 266 Ų | 266 | 147.9 Ų | 147.9 | 100% | 1.008 | 79% | 0.791 | S | S | * | * | | | trans | -158.2 | 151.3 | 140.3 | -100.8 | 17.7 | 0 | 0 | 0 | 108.8 | | |
| 70 | G | 30.3 | Very low | 36.1 | Very low | 65 Ų | 65 | 149.8 Ų | 149.8 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | -113.2 | -154.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 71 | H | 32.9 | Very low | 36.4 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | | | trans | 77.1 | 140.9 | -166 | -70.3 | -95.2 | 0 | 0 | 0 | 114 | | |
| 72 | T | 37.9 | Very low | 36.6 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | cis | -150.7 | 162.9 | 4.6 | -12.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 73 | D | 31.2 | Very low | 37.2 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -61.2 | 155.4 | -179.6 | -60.3 | -74.4 | 0 | 0 | 0 | 116.2 | | |
| 74 | H | 40.5 | Very low | 37.5 | Very low | 199 Ų | 199 | 156.7 Ų | 156.7 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -141.2 | 103.8 | 139.7 | -105.6 | -70.2 | 0 | 0 | 0 | 111.8 | | |
| 75 | T | 32.2 | Very low | 37.9 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | | | trans | -70.6 | 133.8 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 76 | L | 38.2 | Very low | 38.1 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | | | trans | -150.8 | 141.7 | 143.1 | -107.9 | 174.7 | 0 | 0 | 0 | 111 | | |
| 77 | R | 32.4 | Very low | 38.2 | Very low | 213 Ų | 213 | 152.1 Ų | 152.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -89.6 | 157.6 | -164.5 | -57.6 | 175.7 | 172 | -176.4 | -3.4 | 112.9 | | |
| 78 | Y | 36.8 | Very low | 38.2 | Very low | 227 Ų | 227 | 151.3 Ų | 151.3 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | | -164.9 | 121.9 | 106.1 | -117.1 | -83.6 | 0 | 0 | 0 | 114.2 | | |
| 79 | A | 41.8 | Very low | 38.8 | Very low | 85 Ų | 85 | 153.1 Ų | 153.1 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | | | trans | 46.9 | 107.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 80 | N | 33.1 | Very low | 38.9 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | trans | -73.1 | 154.7 | 148.7 | -68.9 | -17.1 | 0 | 0 | 0 | 110.7 | | |
| 81 | V | 44.9 | Very low | 39.4 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | | | trans | -134.3 | 101.9 | 151.9 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 82 | D | 42.1 | Very low | 39.8 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 66% | 0.663 | 82% | 0.82 | S | S | * | * | | | trans | -70.1 | 160.9 | 162.8 | -63.2 | -55.9 | 0 | 0 | 0 | 109.8 | | |
| 83 | L | 48.9 | Very low | 39.8 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | | | | 175.2 | 117.2 | 116.8 | -91.8 | 166.6 | 0 | 0 | 0 | 110.8 | | |
| 84 | D | 42.9 | Very low | 40.3 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | | | trans | -64.6 | 138.6 | 164.5 | -59.3 | -63.2 | 0 | 0 | 0 | 110.7 | | |
| 85 | A | 44 | Very low | 40.1 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -142.5 | 108.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 86 | A | 44 | Very low | 40.5 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | | | trans | -53.4 | 139.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | K88 | A86-K88 PolarHBondContact O-N 3.34Š|
| 87 | D | 41.1 | Very low | 40.7 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | trans | -69.1 | 106.3 | 160.5 | -82.5 | -45.3 | 0 | 0 | 0 | 111.6 | | |
| 88 | K | 39.8 | Very low | 41 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -156.9 | 112.2 | 150.7 | -68.2 | -161.5 | -178.4 | -178.6 | 0 | 111.9 | A86 | A86-K88 PolarHBondContact O-N 3.34Š|
| 89 | S | 44.8 | Very low | 41.4 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | | 169.6 | 143.3 | 127.3 | 43.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 90 | E | 38 | Very low | 41.2 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | -99.5 | 136.2 | -178.5 | -58.1 | 157.4 | -148.7 | 0 | 0 | 109.5 | | |
| 91 | S | 41 | Very low | 42.1 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | 173.6 | 126 | 137.6 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 92 | E | 40.8 | Very low | 41.7 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | 59.8 | 122.3 | 139.9 | -59.3 | -170.4 | 159.1 | 0 | 0 | 122.7 | | |
| 93 | C | 36.9 | Very low | 41.5 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | 57.3 | 112.5 | 139.8 | -67.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 94 | S | 41.8 | Very low | 40.8 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | | | | 171.4 | 137 | 86.2 | -166.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 95 | L | 37.1 | Very low | 40.9 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | trans | 41.6 | 111.7 | 151.8 | -63.5 | 167.1 | 0 | 0 | 0 | 118.9 | | |
| 96 | H | 40.5 | Very low | 40.6 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | | | | -169.9 | 92.3 | 123.2 | -102.4 | 42.8 | 0 | 0 | 0 | 111.1 | F98 | H96-F98 HydrophobicContact CB-CE2 4.32Å; H96-F98 PolarHBondContact O-N 2.87Å |
| 97 | S | 41.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -89.5 | 97.2 | 177 | -52 | 0 | 0 | 0 | 0 | 110.8 | S99 | S97-S99 PolarHBondContact O-N 3.32Š|
| 98 | F | 39.6 | Very low | 40.6 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | trans | -74.2 | 91.3 | 170 | -75.1 | -84.3 | 0 | 0 | 0 | 110.4 | H96 | H96-F98 HydrophobicContact CB-CE2 4.32Å; H96-F98 PolarHBondContact O-N 2.87Å |
| 99 | S | 44.6 | Very low | 40.7 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | -95.1 | 101.4 | 171.4 | -72.7 | 0 | 0 | 0 | 0 | 110.9 | S97 S101 | S97-S99 PolarHBondContact O-N 3.32Å; S99-S101 PolarHBondContact O-N 2.88Å |
| 100 | T | 38.8 | Very low | 40.3 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -91.7 | 87.5 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 101 | S | 51.2 | Low | 40.3 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -123.6 | 114.3 | 162.7 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | S99 | S99-S101 PolarHBondContact O-N 2.88Š|
| 102 | G | 37.4 | Very low | 40.2 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | -92.6 | 152.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 103 | V | 36.3 | Very low | 40.1 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | 66.8 | 91.7 | 164.1 | -162.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 104 | S | 35.5 | Very low | 40 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | | 170.7 | 104.4 | 123.8 | -79.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 105 | S | 44 | Very low | 39.8 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | 171.1 | 84.4 | 149.1 | -83.1 | 0 | 0 | 0 | 0 | 111.6 | M107 | S105-M107 PolarHBondContact O-N 2.93Š|
| 106 | L | 37.7 | Very low | 39.8 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | | | trans | -87.2 | 83.8 | 160 | -79 | 173.5 | 0 | 0 | 0 | 109.2 | | |
| 107 | M | 46.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 80% | 0.798 | 82% | 0.822 | S | S | * | * | | | trans | -140.8 | 121.1 | 167.5 | -87.7 | -65.6 | 168 | 0 | 0 | 110 | S105 K109 | S105-M107 PolarHBondContact O-N 2.93Å; M107-K109 PolarHBondContact O-N 2.88Å |
| 108 | P | 38.2 | Very low | 39.2 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | | | trans | -75.8 | 111.6 | 179.8 | -6.6 | 22.4 | 0 | 0 | 0 | 111.1 | | |
| 109 | K | 42.3 | Very low | 38.9 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | | | trans | -92.5 | 99.3 | 168.8 | -84.7 | 177.7 | 173.5 | 171.7 | 0 | 110.7 | M107 | M107-K109 PolarHBondContact O-N 2.88Š|
| 110 | S | 35.9 | Very low | 38.5 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | | | trans | -145 | 42.6 | 163.8 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 111 | W | 37.8 | Very low | 38.3 | Very low | 242 Ų | 242 | 146.2 Ų | 146.2 | 92% | 0.917 | 84% | 0.835 | S | S | * | * | | | trans | -110.5 | 98.6 | 165.7 | -84.4 | 33.1 | 0 | 0 | 0 | 108.5 | | |
| 112 | V | 40.5 | Very low | 37.8 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 85% | 0.848 | 84% | 0.839 | S | S | * | * | | | trans | -121.3 | 96 | 167.8 | 177.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 113 | L | 38.4 | Very low | 37.9 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | | | trans | -101.1 | 76 | 172.3 | -104.9 | 156.1 | 0 | 0 | 0 | 108.7 | C115 | L113-C115 PolarHBondContact O-N 2.94Š|
| 114 | G | 35.5 | Very low | 38.1 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 84% | 0.84 | S | S | * | * | | | trans | -73.8 | 114.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | K116 | G114-K116 PolarHBondContact O-N 2.89Š|
| 115 | C | 35.8 | Very low | 38.1 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | trans | -73.2 | 127.6 | 180 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | L113 | L113-C115 PolarHBondContact O-N 2.94Š|
| 116 | K | 37.1 | Very low | 37.7 | Very low | 194 Ų | 194 | 153.6 Ų | 153.6 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | | | trans | 15.7 | 114.8 | 148.5 | -58.3 | 175.9 | -178.1 | 177.7 | 0 | 117.3 | G114 | G114-K116 PolarHBondContact O-N 2.89Š|
| 117 | N | 35.7 | Very low | 37.6 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 92% | 0.92 | 83% | 0.829 | S | S | * | * | | | | -164.9 | 147.1 | 126 | -105.6 | -13.2 | 0 | 0 | 0 | 113.2 | | |
| 118 | G | 33.5 | Very low | 37.2 | Very low | 77 Ų | 77 | 152.4 Ų | 152.4 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | 70.5 | 97.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 119 | Q | 35.1 | Very low | 37.2 | Very low | 207 Ų | 207 | 153.5 Ų | 153.5 | 97% | 0.967 | 82% | 0.822 | S | S | * | * | | | trans | -64.5 | 130.8 | 160.5 | -67.5 | 161 | -61.2 | 0 | 0 | 110.8 | | |
| 120 | S | 34.7 | Very low | 36.7 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -155.7 | 121 | 143.4 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 121 | R | 35.7 | Very low | 36.7 | Very low | 237 Ų | 237 | 148.7 Ų | 148.7 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | | | trans | -83.4 | 120.4 | 172.3 | -83.4 | 176.6 | 162.8 | 173.7 | -6.5 | 108.9 | | |
| 122 | S | 40 | Very low | 36.5 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -94 | 107 | 163.2 | 173.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 123 | T | 39.1 | Very low | 36.2 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | | | trans | -95.9 | 118.6 | 172.3 | -24.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 124 | A | 41.6 | Very low | 36 | Very low | 104 Ų | 104 | 145 Ų | 145 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -70.9 | 130.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 125 | L | 35.8 | Very low | 36 | Very low | 158 Ų | 158 | 149 Ų | 149 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | -109.7 | 127.9 | -168.8 | -167.2 | 127.9 | 0 | 0 | 0 | 110.6 | | |
| 126 | R | 34.7 | Very low | 35.9 | Very low | 206 Ų | 206 | 150.4 Ų | 150.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | | 173.5 | 131.1 | 129.6 | -101.7 | -177.6 | 173.4 | 154 | 2 | 114.3 | | |
| 127 | K | 36.7 | Very low | 35.9 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | 66.4 | 127.3 | 151.3 | -60.4 | 177.9 | 178.4 | -168.4 | 0 | 114.9 | | |
| 128 | E | 36.1 | Very low | 35.9 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | cis | -138.3 | 145.6 | 41.9 | -75.6 | -78.9 | 107.9 | 0 | 0 | 113.8 | | |
| 129 | L | 38 | Very low | 36 | Very low | 145 Ų | 145 | 154.7 Ų | 154.7 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | trans | 54.3 | 151.7 | 141.4 | -59.9 | 174.4 | 0 | 0 | 0 | 124 | | |
| 130 | C | 33.7 | Very low | 35.9 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | trans | 81.5 | 88.5 | 165.4 | -61.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 131 | S | 35 | Very low | 36.1 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | | 79.2 | 99.1 | 119.2 | -70.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 132 | D | 32.7 | Very low | 36.1 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | | 86.3 | 130.6 | 117.2 | -55.2 | -41.2 | 0 | 0 | 0 | 122.6 | | |
| 133 | S | 34.6 | Very low | 35.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | 75.4 | 102.3 | 165.5 | 72.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 134 | Y | 35.7 | Very low | 35.5 | Very low | 216 Ų | 216 | 146.7 Ų | 146.7 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | | 86.9 | 134.3 | 94.8 | -104.4 | -105.3 | 0 | 0 | 0 | 112.8 | | |
| 135 | M | 35 | Very low | 35.4 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | cis | -157.7 | 163.3 | -16.4 | -110.1 | -61.9 | 166 | 0 | 0 | 107.6 | | |
| 136 | N | 32.7 | Very low | 35.2 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -146 | 129.3 | 177.8 | -171.3 | 14.2 | 0 | 0 | 0 | 111.8 | | |
| 137 | T | 37.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | -147.3 | 112 | 177.1 | 34.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 138 | Y | 35.7 | Very low | 35.5 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | 35.8 | 141.1 | 140.8 | -69.7 | -84.8 | 0 | 0 | 0 | 124.9 | | |
| 139 | K | 34.9 | Very low | 35.6 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | -62 | 149.5 | 156.5 | -60.5 | 176.5 | 173.5 | -175.8 | 0 | 111.9 | | |
| 140 | V | 34.8 | Very low | 35.6 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | | -157.1 | 147.2 | 129.1 | 150.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 141 | C | 37.7 | Very low | 35.7 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | | | trans | -88.4 | 163.3 | 171.5 | -72.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 142 | D | 35.8 | Very low | 35.5 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 76.5 | 104.8 | 177.6 | -57.9 | -16.9 | 0 | 0 | 0 | 116.7 | | |
| 143 | S | 31.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 64.2 | 99.8 | 137.9 | -57.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 144 | V | 36.2 | Very low | 35.8 | Very low | 128 Ų | 128 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | 74.4 | 130.7 | 143.2 | -172.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 145 | E | 38 | Very low | 35.7 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | 58.5 | 88.4 | 163 | -71 | 175.9 | 153.3 | 0 | 0 | 119.8 | T147 | E145-T147 PolarHBondContact O-N 2.79Š|
| 146 | V | 33 | Very low | 35.7 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -3.5 | 117.1 | 132.3 | -173.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 147 | T | 40.7 | Very low | 35.9 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | | 180 | 137.5 | 117.8 | -69.8 | 0 | 0 | 0 | 0 | 110.8 | E145 | E145-T147 PolarHBondContact O-N 2.79Š|
| 148 | C | 35.8 | Very low | 35.9 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | trans | -98.8 | 148.2 | -174.9 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 149 | C | 38.3 | Very low | 36 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | | 161.6 | 146.3 | 123.6 | -83.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 150 | K | 38.6 | Very low | 36.3 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | trans | 100.5 | 149.6 | 151.2 | -56 | -142.3 | 178.2 | 172.6 | 0 | 120.1 | | |
| 151 | P | 35.2 | Very low | 36.5 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | trans | -132.1 | 160.8 | -145.7 | 41.7 | -25.2 | 0 | 0 | 0 | 117.6 | | |
| 152 | S | 31 | Very low | 36.5 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | 62.5 | 172.7 | 161.9 | 77.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 153 | P | 39.5 | Very low | 36.9 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | cis | -117.7 | -172.8 | -16.5 | 28.6 | -5.1 | 0 | 0 | 0 | 110.2 | | |
| 154 | S | 33.4 | Very low | 37.1 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 54% | 0.538 | 76% | 0.756 | S | S | . | * | | | | 142.8 | 156.8 | 78.8 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 155 | W | 33.2 | Very low | 37.1 | Very low | 217 Ų | 217 | 140.6 Ų | 140.6 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | 64.3 | 153.2 | 160 | -49.2 | 120.7 | 0 | 0 | 0 | 117.9 | | |
| 156 | Q | 36.6 | Very low | 37.5 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | cis | -156.8 | 149.2 | -2.5 | -129.9 | 157.9 | 24.2 | 0 | 0 | 112.4 | | |
| 157 | T | 35.7 | Very low | 37.4 | Very low | 120 Ų | 120 | 142 Ų | 142 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | 31.8 | 139.5 | 144.6 | 48.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 158 | S | 37.5 | Very low | 37.7 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | cis | -168.9 | -160 | 4.2 | 48 | 0 | 0 | 0 | 0 | 107.7 | | |
| 159 | R | 38.5 | Very low | 37.9 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | cis | -162.7 | 145.4 | 12.3 | -152.2 | 161.6 | 168.5 | 164.5 | -2.1 | 110.9 | | |
| 160 | N | 40.6 | Very low | 38.2 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | | | trans | 46.1 | 133.7 | 142.6 | -71.7 | 43 | 0 | 0 | 0 | 121.3 | | |
| 161 | D | 39.5 | Very low | 38.2 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | cis | -159.9 | 130.8 | 25.1 | -87.9 | -40.3 | 0 | 0 | 0 | 111.7 | | |
| 162 | F | 37.2 | Very low | 38.3 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | trans | -148.2 | 118.9 | 157.8 | -96.2 | -80.2 | 0 | 0 | 0 | 109.4 | T164 | F162-T164 PolarHBondContact O-N 2.72Š|
| 163 | K | 45.6 | Very low | 38.7 | Very low | 204 Ų | 204 | 152 Ų | 152 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | trans | -71.5 | 115.5 | 172.4 | -78.1 | 174.2 | 173 | 173.9 | 0 | 109.1 | | |
| 164 | T | 35.5 | Very low | 38.5 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | | 79.3 | 89.9 | 75 | -50.8 | 0 | 0 | 0 | 0 | 114.5 | F162 | F162-T164 PolarHBondContact O-N 2.72Š|
| 165 | C | 36.3 | Very low | 38.7 | Very low | 115 Ų | 115 | 159.1 Ų | 159.1 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | | 15.1 | 160.5 | 119.9 | -64.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 166 | P | 44.8 | Very low | 39 | Very low | 118 Ų | 118 | 153.3 Ų | 153.3 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | cis | -152.2 | 163.3 | 36.4 | 41 | -19.4 | 0 | 0 | 0 | 120.4 | | |
| 167 | Y | 32.1 | Very low | 39.2 | Very low | 228 Ų | 228 | 152.4 Ų | 152.4 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | | | trans | -88.4 | 139.8 | 150.8 | -83.4 | -87.8 | 0 | 0 | 0 | 110.2 | | |
| 168 | P | 47.4 | Very low | 39.4 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -91.6 | 144.6 | 169.8 | 33.4 | -30.5 | 0 | 0 | 0 | 113.3 | | |
| 169 | L | 39.2 | Very low | 39.5 | Very low | 167 Ų | 167 | 153 Ų | 153 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -93.5 | 175.1 | 177.4 | -110.9 | 92.7 | 0 | 0 | 0 | 112.3 | | |
| 170 | P | 44.6 | Very low | 39.4 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -99.4 | 171.4 | -154.3 | 39.7 | -39.3 | 0 | 0 | 0 | 115.8 | | |
| 171 | K | 39.7 | Very low | 39.3 | Very low | 201 Ų | 201 | 154.1 Ų | 154.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -170.7 | 125.7 | 146.5 | -104.4 | 151.9 | -172.7 | 177.4 | 0 | 115 | | |
| 172 | R | 36.4 | Very low | 39.3 | Very low | 220 Ų | 220 | 152.5 Ų | 152.5 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | 52.9 | 144.6 | 139.1 | -84.6 | -173.4 | 169.1 | -162.6 | -1 | 124.6 | | |
| 173 | Q | 39.9 | Very low | 39.5 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 74.9 | 138.7 | 151.6 | -77.4 | 170.6 | -111.3 | 0 | 0 | 119 | | |
| 174 | R | 35 | Very low | 39 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | cis | 173.8 | 120.4 | -11.7 | 165.1 | 179.3 | 177.1 | 147.2 | 2.2 | 105.7 | | |
| 175 | L | 37.7 | Very low | 39.1 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 71% | 0.707 | 78% | 0.783 | S | S | * | * | | | trans | 62.8 | 154.4 | 163.9 | -55.4 | 167.4 | 0 | 0 | 0 | 116.2 | | |
| 176 | S | 40.2 | Very low | 39 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | | | cis | -145.6 | 144.7 | 13.5 | -39.2 | 0 | 0 | 0 | 0 | 112 | | |
| 177 | T | 40.2 | Very low | 38.3 | Very low | 120 Ų | 120 | 149 Ų | 149 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | | 30.3 | 139.5 | 128.5 | 68.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 178 | T | 40.5 | Very low | 38.7 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | cis | -155.2 | 161.4 | 38.6 | 41.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 179 | T | 39.1 | Very low | 38.1 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | 58.3 | 97 | 149.1 | 50.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 180 | N | 36.1 | Very low | 38.1 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | | -162.4 | 138.9 | 100.8 | -93.9 | -43.2 | 0 | 0 | 0 | 110.3 | | |
| 181 | L | 38.8 | Very low | 37.8 | Very low | 179 Ų | 179 | 155.2 Ų | 155.2 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | | | trans | -105.3 | 119.6 | -170.3 | -86.6 | 148.6 | 0 | 0 | 0 | 112.7 | | |
| 182 | S | 38.7 | Very low | 37.8 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -95.9 | -161.7 | 156.3 | 65.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 183 | P | 42.8 | Very low | 38.3 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | | | cis | -129.3 | 158 | 0.6 | 39.4 | -20.3 | 0 | 0 | 0 | 114 | | |
| 184 | S | 34.3 | Very low | 38.8 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | | 51.1 | 99.5 | 71.3 | -67.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 185 | F | 36.7 | Very low | 38.8 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | | | trans | -97.6 | 110.1 | 164.7 | -85.5 | -85.2 | 0 | 0 | 0 | 111.1 | | |
| 186 | T | 35 | Very low | 38.8 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -136 | 136.8 | 147.7 | 57.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 187 | C | 31 | Very low | 38.4 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -142.7 | 125 | 176.3 | -168.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 188 | R | 39.3 | Very low | 38.1 | Very low | 240 Ų | 240 | 140.9 Ų | 140.9 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -84.6 | 150.7 | 173.4 | -79.8 | -172.9 | 174.9 | -142.7 | 2 | 110.9 | | |
| 189 | S | 35.5 | Very low | 38 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -64.9 | 140.1 | -168.3 | -38.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 190 | R | 38.8 | Very low | 37.9 | Very low | 230 Ų | 230 | 139 Ų | 139 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -147.1 | 129.3 | 154.8 | -81.3 | -165.3 | -174.1 | -133.7 | 2.2 | 111.8 | | |
| 191 | L | 37.7 | Very low | 38.1 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | | | trans | 48.4 | 124.6 | 140.3 | -71 | 142.6 | 0 | 0 | 0 | 121.6 | | |
| 192 | G | 40 | Very low | 38.1 | Very low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 88.3 | 148.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 193 | T | 48 | Very low | 37.9 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 77% | 0.767 | 82% | 0.822 | S | S | * | * | | | cis | -156 | 138.7 | 14.1 | 37.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 194 | I | 49.6 | Very low | 37.8 | Very low | 153 Ų | 153 | 143 Ų | 143 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | | | trans | 43.8 | 118.9 | 133.5 | -28.3 | 158.4 | 0 | 0 | 0 | 121.2 | | |
| 195 | Y | 34.1 | Very low | 37.9 | Very low | 234 Ų | 234 | 148.6 Ų | 148.6 | 92% | 0.918 | 83% | 0.834 | S | S | * | * | | | trans | 70.4 | 148.7 | 138.4 | -134.1 | -104.7 | 0 | 0 | 0 | 123.9 | | |
| 196 | G | 39 | Very low | 38.1 | Very low | 71 Ų | 71 | 147.3 Ų | 147.3 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | trans | 81.5 | 141.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 197 | G | 32.3 | Very low | 38.5 | Very low | 76 Ų | 76 | 148.2 Ų | 148.2 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | | | cis | 148 | 142.3 | 16.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 198 | A | 33.7 | Very low | 39 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | -71.4 | 157.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 199 | A | 38.5 | Very low | 39.1 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | | | trans | 101.9 | 139.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 200 | S | 35.6 | Very low | 39.7 | Very low | 96 Ų | 96 | 152.7 Ų | 152.7 | 67% | 0.671 | 83% | 0.829 | S | S | * | * | | | trans | 74.5 | 100 | 155.5 | -168.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 201 | C | 41.8 | Very low | 40 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -172.4 | 82.8 | 130.5 | -95.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 202 | R | 38.7 | Very low | 40.7 | Very low | 235 Ų | 235 | 146.4 Ų | 146.4 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | | | | 50.3 | 123 | 96.6 | -70.2 | -165 | 179.8 | -123.9 | 0.4 | 115.2 | | |
| 203 | N | 34.7 | Very low | 40.8 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | | | trans | 82.3 | 80 | 156.3 | -124.5 | 33.6 | 0 | 0 | 0 | 119.3 | | |
| 204 | A | 38.9 | Very low | 40.5 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | -148.7 | 76 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 205 | R | 37.6 | Very low | 40.1 | Very low | 235 Ų | 235 | 150 Ų | 150 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | trans | -95.1 | 106.1 | 165.8 | -100.7 | -174.7 | 174.7 | 158.9 | -3.8 | 107.3 | | |
| 206 | E | 41.1 | Very low | 40.6 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | 173.1 | 163.3 | 155.2 | -98.5 | 161.5 | -144.5 | 0 | 0 | 106.8 | | |
| 207 | L | 42.6 | Very low | 40.7 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 90.8 | 6.2 | 178.7 | -52.9 | 175.3 | 0 | 0 | 0 | 120.5 | | |
| 208 | F | 41.8 | Very low | 41.4 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -132.4 | 25.7 | 170.5 | -74.4 | -69.6 | 0 | 0 | 0 | 115.5 | | |
| 209 | E | 42 | Very low | 41.9 | Very low | 177 Ų | 177 | 157.5 Ų | 157.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -101.3 | 25.7 | -175.7 | -158 | 156 | -155.3 | 0 | 0 | 114.4 | | |
| 210 | F | 46.7 | Very low | 41.9 | Very low | 207 Ų | 207 | 158 Ų | 158 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | | | trans | -143.8 | 53.9 | 175.5 | -84.2 | -74.4 | 0 | 0 | 0 | 113.9 | | |
| 211 | T | 44.9 | Very low | 42 | Very low | 126 Ų | 126 | 161.1 Ų | 161.1 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -134.8 | 84.3 | 162.2 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 212 | T | 52.9 | Low | 41.7 | Very low | 135 Ų | 135 | 165.4 Ų | 165.4 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -70.1 | 132.4 | 166.5 | 37.9 | 0 | 0 | 0 | 0 | 109.6 | L214 | T212-L214 PolarHBondContact O-N 2.78Š|
| 213 | P | 43.4 | Very low | 41.5 | Very low | 120 Ų | 120 | 161.2 Ų | 161.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -68.8 | 128.2 | 174 | 28.1 | -32.7 | 0 | 0 | 0 | 109.4 | K215 | P213-K215 PolarHBondContact O-N 2.82Š|
| 214 | L | 41.1 | Very low | 41.6 | Very low | 145 Ų | 145 | 163.6 Ų | 163.6 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | | | trans | -60.7 | 104.3 | 174.1 | -85.7 | 164.2 | 0 | 0 | 0 | 110 | T212 F216 | T212-L214 PolarHBondContact O-N 2.78Å; L214-F216 HydrophobicContact CB-CE2 4.04Å; L214-F216 HydrophobicContact CB-CZ 3.96Å; L214-F216 HydrophobicContact CD1-CZ 4.33Å; L214-F216 PolarHBondContact O-N 3.14Å |
| 215 | K | 40.9 | Very low | 41.3 | Very low | 159 Ų | 159 | 167.9 Ų | 167.9 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | trans | -84.9 | 105.2 | 172.5 | -172.9 | 171.6 | 179.1 | -91.2 | 0 | 108.6 | P213 D217 | P213-K215 PolarHBondContact O-N 2.82Å; K215-D217 VanDerWaalsContact NZ-CG 3.29Å; K215-D217 IonicContact NZ-OD1 2.69Å; K215-D217 PolarHBondContact NZ-OD1 2.08Å; K215-D217 IonicContact NZ-OD2 3.04Å; K215-D217 PolarHBondContact NZ-OD2 3.37Å; K215-D217 PolarHBondContact O-N 3.01Å; K215-D217 VanDerWaalsContact O-N 3.14Å |
| 216 | F | 44.6 | Very low | 41.3 | Very low | 168 Ų | 168 | 164.4 Ų | 164.4 | 74% | 0.737 | 81% | 0.809 | S | S | * | * | | | trans | -79.9 | 89.9 | 174.9 | -59.8 | -78.8 | 0 | 0 | 0 | 109.8 | L214 L218 | L214-F216 HydrophobicContact CB-CE2 4.04Å; L214-F216 HydrophobicContact CB-CZ 3.96Å; L214-F216 HydrophobicContact CD1-CZ 4.33Å; L214-F216 PolarHBondContact O-N 3.14Å; F216-L218 PolarHBondContact O-N 3.35Å |
| 217 | D | 40.3 | Very low | 40.8 | Very low | 103 Ų | 103 | 160.1 Ų | 160.1 | 55% | 0.551 | 81% | 0.813 | S | S | * | * | | | trans | -75.7 | 100.4 | 168.6 | -74.1 | -30.8 | 0 | 0 | 0 | 109 | K215 Y219 | K215-D217 VanDerWaalsContact NZ-CG 3.29Å; K215-D217 IonicContact NZ-OD1 2.69Å; K215-D217 PolarHBondContact NZ-OD1 2.08Å; K215-D217 IonicContact NZ-OD2 3.04Å; K215-D217 PolarHBondContact NZ-OD2 3.37Å; K215-D217 PolarHBondContact O-N 3.01Å; K215-D217 VanDerWaalsContact O-N 3.14Å; D217-Y219 PolarHBondContact O-N 2.77Å |
| 218 | L | 47 | Very low | 40.5 | Very low | 162 Ų | 162 | 157.4 Ų | 157.4 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | trans | -71.4 | 94.3 | 173.2 | -72.8 | 175.1 | 0 | 0 | 0 | 109.9 | F216 S220 | F216-L218 PolarHBondContact O-N 3.35Å; L218-S220 PolarHBondContact O-N 2.81Å; L218-S220 VanDerWaalsContact O-N 3.16Å |
| 219 | Y | 43.9 | Very low | 40.9 | Very low | 210 Ų | 210 | 153.7 Ų | 153.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -58.7 | 116.7 | 165.5 | -91.9 | -98.5 | 0 | 0 | 0 | 109.6 | D217 D221 | D217-Y219 PolarHBondContact O-N 2.77Å; Y219-D221 PolarHBondContact O-N 3.32Å |
| 220 | S | 39 | Very low | 41.7 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -81.8 | 97.3 | 168.5 | -63.6 | 0 | 0 | 0 | 0 | 108.5 | L218 R222 | L218-S220 PolarHBondContact O-N 2.81Å; L218-S220 VanDerWaalsContact O-N 3.16Å; S220-R222 VanDerWaalsContact C-N 3.27Å; S220-R222 PolarHBondContact O-N 3.26Å |
| 221 | D | 37.9 | Very low | 42.3 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | trans | -66.8 | 87.6 | 173.5 | -105.1 | -33.8 | 0 | 0 | 0 | 110.5 | Y219 N223 | Y219-D221 PolarHBondContact O-N 3.32Å; D221-N223 VanDerWaalsContact C-N 3.3Å; D221-N223 PolarHBondContact O-N 3.27Å |
| 222 | R | 35.7 | Very low | 43.1 | Very low | 217 Ų | 217 | 140.9 Ų | 140.9 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | | | trans | -71.9 | 86.5 | 162.8 | -74.2 | -178.9 | 168.9 | -166.2 | -3.4 | 108.3 | S220 | S220-R222 VanDerWaalsContact C-N 3.27Å; S220-R222 PolarHBondContact O-N 3.26Å |
| 223 | N | 35.4 | Very low | 44.2 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | 179.7 | 88 | 151.5 | -91.1 | -28.8 | 0 | 0 | 0 | 111.6 | D221 | D221-N223 VanDerWaalsContact C-N 3.3Å; D221-N223 PolarHBondContact O-N 3.27Å |
| 224 | F | 36.2 | Very low | 46.2 | Very low | 212 Ų | 212 | 139.8 Ų | 139.8 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | | | trans | -157.2 | 101.1 | 144.4 | -101.5 | -68.3 | 0 | 0 | 0 | 109.6 | L226 | F224-L226 PolarHBondContact O-N 3.49Š|
| 225 | Q | 32.7 | Very low | 48.4 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | | | trans | -79.1 | 104.7 | 165.9 | -71.1 | -164.6 | 27.5 | 0 | 0 | 109.3 | | |
| 226 | L | 36.3 | Very low | 50.5 | Low | 162 Ų | 162 | 131.8 Ų | 131.8 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | | | trans | -156.7 | 126.4 | 147.2 | -147.4 | 65.5 | 0 | 0 | 0 | 109.5 | F224 S228 | F224-L226 PolarHBondContact O-N 3.49Å; L226-S228 PolarHBondContact O-N 2.77Å; L226-S228 VanDerWaalsContact O-N 3.13Å |
| 227 | G | 31 | Very low | 52.7 | Low | 88 Ų | 88 | 127.1 Ų | 127.1 | 91% | 0.907 | 70% | 0.7 | S | S | * | * | | | trans | -65.8 | 111.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 228 | S | 37.1 | Very low | 55.2 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | | | trans | -149.2 | 136.8 | 163.4 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | L226 | L226-S228 PolarHBondContact O-N 2.77Å; L226-S228 VanDerWaalsContact O-N 3.13Å |
| 229 | N | 50.7 | Low | 57.3 | Low | 119 Ų | 119 | 121.1 Ų | 121.1 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | | | trans | -75 | 119.3 | -175.8 | -147.9 | -24 | 0 | 0 | 0 | 108.5 | T231 A232 | N229-T231 PolarHBondContact O-N 3.41Å; N229-T231 PolarHBondContact OD1-OG1 2.95Å; N229-A232 WeakPolarHBondContact O-CB 3.25Å; N229-A232 PolarHBondContact O-N 3.39Å |
| 230 | P | 57.6 | Low | 59.5 | Low | 120 Ų | 120 | 119.8 Ų | 119.8 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -6.5 | -171.4 | 25.5 | -34.8 | 0 | 0 | 0 | 114.1 | | |
| 231 | T | 58.6 | Low | 62.1 | Low | 61 Ų | 61 | 118.9 Ų | 118.9 | 37% | 0.374 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91 | -9.4 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | N229 N233 L234 R239 | N229-T231 PolarHBondContact O-N 3.41Å; N229-T231 PolarHBondContact OD1-OG1 2.95Å; T231-N233 PolarHBondContact O-N 2.89Å; T231-L234 PolarHBondContact O-N 2.83Å; T231-R239 PolarHBondContact O-NE 3.24Å; T231-R239 PolarHBondContact O-NH2 2.88Å |
| 232 | A | 63.1 | Low | 64.6 | Low | 60 Ų | 60 | 115.6 Ų | 115.6 | 50% | 0.496 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.5 | -43 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N229 L234 R239 | N229-A232 WeakPolarHBondContact O-CB 3.25Å; N229-A232 PolarHBondContact O-N 3.39Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.7Å; A232-R239 PolarHBondContact O-NH2 2.1Å |
| 233 | N | 76.4 | Confident | 67 | Low | 168 Ų | 168 | 110.6 Ų | 110.6 | 90% | 0.898 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 3.4 | -176.1 | -66.8 | -25.9 | 0 | 0 | 0 | 114.6 | T231 | T231-N233 PolarHBondContact O-N 2.89Š|
| 234 | L | 83.6 | Confident | 69.5 | Low | 63 Ų | 63 | 107.1 Ų | 107.1 | 33% | 0.33 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -90.9 | 137.5 | 178.4 | -64.8 | 176.5 | 0 | 0 | 0 | 111.2 | T231 A232 A238 R239 L242 | T231-L234 PolarHBondContact O-N 2.83Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.7Å; L234-A238 HydrophobicContact CB-CB 4.17Å; L234-A238 HydrophobicContact CD2-CB 4.32Å; L234-R239 HydrophobicContact CB-CG 3.81Å; L234-R239 PolarHBondContact O-NE 2.83Å; L234-R239 VanDerWaalsContact O-NE 3.16Å; L234-R239 PolarHBondContact O-NH2 3.24Å; L234-L242 HydrophobicContact CD1-CD1 3.52Å |
| 235 | S | 89.1 | Confident | 71.9 | Confident | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | | | trans | -59.7 | 154 | 170.9 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | T237 A238 R239 | S235-T237 PolarHBondContact O-N 3.21Å; S235-A238 PolarHBondContact O-N 2.77Å; S235-A238 WeakPolarHBondContact OG-CB 3.35Å; S235-A238 PolarHBondContact OG-N 3.09Å; S235-A238 VanDerWaalsContact OG-N 3.15Å; S235-R239 PolarHBondContact O-N 3.36Å |
| 236 | S | 84.4 | Confident | 74.3 | Confident | 66 Ų | 66 | 99.8 Ų | 99.8 | 46% | 0.462 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -56.2 | -34.7 | 178.2 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | R240 | S236-R240 PolarHBondContact O-N 3.15Å; S236-R240 VanDerWaalsContact O-N 3.12Å |
| 237 | T | 90.3 | Very high | 76.2 | Confident | 70 Ų | 70 | 98.1 Ų | 98.1 | 43% | 0.429 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.8 | -45.8 | 171.8 | -42.3 | 0 | 0 | 0 | 0 | 112.2 | S235 R239 R240 I241 | S235-T237 PolarHBondContact O-N 3.21Å; T237-R239 PolarHBondContact O-N 3.16Å; T237-R240 PolarHBondContact O-N 3.18Å; T237-I241 HydrophobicContact CG2-CD1 4.01Å; T237-I241 VanDerWaalsContact O-CG1 3.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.45Å; T237-I241 PolarHBondContact O-N 3.35Å |
| 238 | A | 93.4 | Very high | 78.1 | Confident | 26 Ų | 26 | 100.7 Ų | 100.7 | 22% | 0.215 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -64.6 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L234 S235 I241 L242 | L234-A238 HydrophobicContact CB-CB 4.17Å; L234-A238 HydrophobicContact CD2-CB 4.32Å; S235-A238 PolarHBondContact O-N 2.77Å; S235-A238 WeakPolarHBondContact OG-CB 3.35Å; S235-A238 PolarHBondContact OG-N 3.09Å; S235-A238 VanDerWaalsContact OG-N 3.15Å; A238-I241 PolarHBondContact O-N 3.02Å; A238-L242 WeakPolarHBondContact O-CG 3.15Å; A238-L242 PolarHBondContact O-N 3.43Å |
| 239 | R | 92 | Very high | 79.2 | Confident | 112 Ų | 112 | 99.1 Ų | 99.1 | 42% | 0.423 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 173.3 | -63.4 | -176.1 | -161.5 | 166.3 | 6.3 | 111.3 | T231 A232 L234 S235 T237 I241 L242 E243 | T231-R239 PolarHBondContact O-NE 3.24Å; T231-R239 PolarHBondContact O-NH2 2.88Å; A232-R239 PolarHBondContact O-NH2 2.1Å; L234-R239 HydrophobicContact CB-CG 3.81Å; L234-R239 PolarHBondContact O-NE 2.83Å; L234-R239 VanDerWaalsContact O-NE 3.16Å; L234-R239 PolarHBondContact O-NH2 3.24Å; S235-R239 PolarHBondContact O-N 3.36Å; T237-R239 PolarHBondContact O-N 3.16Å; R239-I241 VanDerWaalsContact C-N 3.35Å; R239-I241 PolarHBondContact O-N 2.09Å; R239-L242 PolarHBondContact O-N 3.19Å; R239-E243 VanDerWaalsContact O-CB 3.29Å; R239-E243 WeakPolarHBondContact O-CB 3.44Å; R239-E243 PolarHBondContact O-N 2.91Å |
| 240 | R | 88.2 | Confident | 79.2 | Confident | 183 Ų | 183 | 97.1 Ų | 97.1 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 176.4 | -81.4 | 179 | 160.9 | -170 | -9.3 | 113 | S236 T237 E243 T244 | S236-R240 PolarHBondContact O-N 3.15Å; S236-R240 VanDerWaalsContact O-N 3.12Å; T237-R240 PolarHBondContact O-N 3.18Å; R240-E243 PolarHBondContact O-N 3.47Å; R240-T244 PolarHBondContact O-N 3.17Å; R240-T244 PolarHBondContact O-OG1 2.86Å |
| 241 | I | 93.4 | Very high | 78.6 | Confident | 90 Ų | 90 | 96.8 Ų | 96.8 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 177 | -70.8 | 164.8 | 0 | 0 | 0 | 110.2 | T237 A238 R239 E243 T244 L245 | T237-I241 HydrophobicContact CG2-CD1 4.01Å; T237-I241 VanDerWaalsContact O-CG1 3.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.45Å; T237-I241 PolarHBondContact O-N 3.35Å; A238-I241 PolarHBondContact O-N 3.02Å; R239-I241 VanDerWaalsContact C-N 3.35Å; R239-I241 PolarHBondContact O-N 2.09Å; I241-E243 VanDerWaalsContact C-N 3.35Å; I241-E243 PolarHBondContact O-N 3.1Å; I241-T244 WeakPolarHBondContact CA-OG1 3.2Å; I241-T244 PolarHBondContact O-N 2.93Å; I241-T244 PolarHBondContact O-OG1 3.25Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.35Å; I241-L245 WeakPolarHBondContact O-CB 3.26Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.27Å; I241-L245 PolarHBondContact O-N 3.33Å |
| 242 | L | 91.4 | Very high | 77.6 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -42.7 | 177.8 | -68.8 | 173.3 | 0 | 0 | 0 | 112.1 | L234 A238 R239 L245 E246 | L234-L242 HydrophobicContact CD1-CD1 3.52Å; A238-L242 WeakPolarHBondContact O-CG 3.15Å; A238-L242 PolarHBondContact O-N 3.43Å; R239-L242 PolarHBondContact O-N 3.19Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-L245 VanDerWaalsContact O-N 3.14Å; L242-E246 WeakPolarHBondContact O-CB 3.46Å; L242-E246 PolarHBondContact O-N 3.05Å |
| 243 | E | 86.7 | Confident | 76.6 | Confident | 111 Ų | 111 | 105.5 Ų | 105.5 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 176 | -174.9 | 174.5 | -153.5 | 0 | 0 | 111.8 | R239 R240 I241 N247 | R239-E243 VanDerWaalsContact O-CB 3.29Å; R239-E243 WeakPolarHBondContact O-CB 3.44Å; R239-E243 PolarHBondContact O-N 2.91Å; R240-E243 PolarHBondContact O-N 3.47Å; I241-E243 VanDerWaalsContact C-N 3.35Å; I241-E243 PolarHBondContact O-N 3.1Å; E243-N247 WeakPolarHBondContact O-CB 3.33Å; E243-N247 VanDerWaalsContact O-CG 3.29Å; E243-N247 PolarHBondContact O-N 2.89Å; E243-N247 PolarHBondContact O-ND2 3.27Å |
| 244 | T | 87.8 | Confident | 74.6 | Confident | 75 Ų | 75 | 103 Ų | 103 | 46% | 0.46 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.6 | -36 | 170.6 | 45.3 | 0 | 0 | 0 | 0 | 112.9 | R240 I241 N247 L248 | R240-T244 PolarHBondContact O-N 3.17Å; R240-T244 PolarHBondContact O-OG1 2.86Å; I241-T244 WeakPolarHBondContact CA-OG1 3.2Å; I241-T244 PolarHBondContact O-N 2.93Å; I241-T244 PolarHBondContact O-OG1 3.25Å; T244-N247 PolarHBondContact O-N 3.41Å; T244-L248 WeakPolarHBondContact O-CB 3.2Å; T244-L248 WeakPolarHBondContact O-CD1 3.15Å; T244-L248 WeakPolarHBondContact O-CG 3.21Å; T244-L248 PolarHBondContact O-N 3.32Å |
| 245 | L | 86.5 | Confident | 72.5 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.2 | -38 | 177.5 | -72.7 | 171.9 | 0 | 0 | 0 | 111.6 | I241 L242 L248 S249 | I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.35Å; I241-L245 WeakPolarHBondContact O-CB 3.26Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.27Å; I241-L245 PolarHBondContact O-N 3.33Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-L245 VanDerWaalsContact O-N 3.14Å; L245-L248 PolarHBondContact O-N 3.13Å; L245-S249 VanDerWaalsContact O-CB 3.23Å; L245-S249 WeakPolarHBondContact O-CB 3.3Å; L245-S249 PolarHBondContact O-N 2.77Å; L245-S249 PolarHBondContact O-OG 3.11Å; L245-S249 VanDerWaalsContact O-OG 3.14Å |
| 246 | E | 83.5 | Confident | 70.1 | Confident | 149 Ų | 149 | 108.9 Ų | 108.9 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.7 | -45.2 | 174 | -172.1 | 169.4 | -165.9 | 0 | 0 | 110.9 | L242 L248 S249 | L242-E246 WeakPolarHBondContact O-CB 3.46Å; L242-E246 PolarHBondContact O-N 3.05Å; E246-L248 PolarHBondContact O-N 2.95Å; E246-S249 WeakPolarHBondContact CA-OG 3.18Å; E246-S249 PolarHBondContact O-N 3.49Å; E246-S249 PolarHBondContact O-OG 2.04Å |
| 247 | N | 74.8 | Confident | 67.8 | Low | 128 Ų | 128 | 114 Ų | 114 | 68% | 0.684 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.5 | -27.6 | 175.9 | -73.3 | -49.8 | 0 | 0 | 0 | 114 | E243 T244 | E243-N247 WeakPolarHBondContact O-CB 3.33Å; E243-N247 VanDerWaalsContact O-CG 3.29Å; E243-N247 PolarHBondContact O-N 2.89Å; E243-N247 PolarHBondContact O-ND2 3.27Å; T244-N247 PolarHBondContact O-N 3.41Å |
| 248 | L | 72.4 | Confident | 65.4 | Low | 141 Ų | 141 | 118.9 Ų | 118.9 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -88.3 | -17.5 | 175.1 | -69.9 | 168.7 | 0 | 0 | 0 | 112.7 | T244 L245 E246 A250 | T244-L248 WeakPolarHBondContact O-CB 3.2Å; T244-L248 WeakPolarHBondContact O-CD1 3.15Å; T244-L248 WeakPolarHBondContact O-CG 3.21Å; T244-L248 PolarHBondContact O-N 3.32Å; L245-L248 PolarHBondContact O-N 3.13Å; E246-L248 PolarHBondContact O-N 2.95Å; L248-A250 PolarHBondContact O-N 2.78Å |
| 249 | S | 58.7 | Low | 62.6 | Low | 74 Ų | 74 | 123 Ų | 123 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | | | trans | -76.6 | 71 | 170.3 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | L245 E246 | L245-S249 VanDerWaalsContact O-CB 3.23Å; L245-S249 WeakPolarHBondContact O-CB 3.3Å; L245-S249 PolarHBondContact O-N 2.77Å; L245-S249 PolarHBondContact O-OG 3.11Å; L245-S249 VanDerWaalsContact O-OG 3.14Å; E246-S249 WeakPolarHBondContact CA-OG 3.18Å; E246-S249 PolarHBondContact O-N 3.49Å; E246-S249 PolarHBondContact O-OG 2.04Å |
| 250 | A | 52.2 | Low | 60.1 | Low | 77 Ų | 77 | 124 Ų | 124 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | | | trans | -52.8 | 124.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | L248 L252 | L248-A250 PolarHBondContact O-N 2.78Å; A250-L252 PolarHBondContact O-N 2.8Å |
| 251 | P | 44.5 | Very low | 57.8 | Low | 113 Ų | 113 | 121.6 Ų | 121.6 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | | | trans | -72.5 | 99.2 | -166.4 | 26.7 | -34.7 | 0 | 0 | 0 | 111.2 | T253 | P251-T253 PolarHBondContact O-N 3.48Š|
| 252 | L | 37 | Very low | 54.8 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -65 | 99.8 | 162.6 | -67.6 | 177.1 | 0 | 0 | 0 | 108.5 | A250 | A250-L252 PolarHBondContact O-N 2.8Š|
| 253 | T | 42.4 | Very low | 52.4 | Low | 141 Ų | 141 | 131.7 Ų | 131.7 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | | | trans | 62.7 | 86.3 | 173.2 | 22.9 | 0 | 0 | 0 | 0 | 116.1 | P251 | P251-T253 PolarHBondContact O-N 3.48Š|
| 254 | S | 34.2 | Very low | 49.8 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -106.4 | 78.1 | 151.4 | -166.3 | 0 | 0 | 0 | 0 | 110 | | |
| 255 | G | 39 | Very low | 47.5 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -92.6 | 91.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 256 | F | 39.2 | Very low | 45.4 | Very low | 190 Ų | 190 | 142 Ų | 142 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | | | trans | 44.4 | 99.1 | 152.8 | -101.7 | -97.5 | 0 | 0 | 0 | 118.8 | | |
| 257 | L | 35.5 | Very low | 43.2 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -144.8 | 90.6 | 142 | -79.2 | -174 | 0 | 0 | 0 | 110.9 | | |
| 258 | Q | 40.9 | Very low | 41.5 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -164.6 | 115 | 142 | -110 | 160.9 | 21.3 | 0 | 0 | 113.2 | | |
| 259 | S | 33.8 | Very low | 39.9 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | -5.2 | 122.1 | 157.8 | -174.3 | 0 | 0 | 0 | 0 | 119 | | |
| 260 | T | 38.9 | Very low | 39.3 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | | -160.4 | 124.7 | 128 | 17.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 261 | V | 40.2 | Very low | 38.7 | Very low | 132 Ų | 132 | 156 Ų | 156 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | | | trans | 13.5 | 131.8 | 152.3 | -171.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 262 | H | 31.8 | Very low | 38.9 | Very low | 177 Ų | 177 | 160 Ų | 160 | 82% | 0.819 | 84% | 0.836 | S | S | * | * | | | trans | -28.2 | 136.5 | 170.7 | -70.9 | -72.2 | 0 | 0 | 0 | 119.2 | | |
| 263 | K | 40.7 | Very low | 39.1 | Very low | 217 Ų | 217 | 159.2 Ų | 159.2 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | | | | -157.5 | 162.1 | 118.7 | -105.4 | 157.9 | -171.8 | 177 | 0 | 111.6 | | |
| 264 | H | 32.4 | Very low | 39.1 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | | | trans | -123.7 | 109.2 | -149.2 | 168.5 | -70.6 | 0 | 0 | 0 | 112.5 | | |
| 265 | V | 38.9 | Very low | 39.1 | Very low | 145 Ų | 145 | 161.5 Ų | 161.5 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | | | trans | -138.8 | 143.2 | 168.6 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 266 | K | 43.1 | Very low | 39.1 | Very low | 189 Ų | 189 | 168.8 Ų | 168.8 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | | | trans | -57.1 | 139.5 | -163.1 | -61.9 | 167.3 | 179.4 | 175.3 | 0 | 115.7 | | |
| 267 | Q | 35.9 | Very low | 39.1 | Very low | 186 Ų | 186 | 168.3 Ų | 168.3 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | | | trans | -73.6 | 137.1 | 163.9 | -67.8 | -177.2 | -19.5 | 0 | 0 | 111.4 | | |
| 268 | V | 41 | Very low | 39.5 | Very low | 144 Ų | 144 | 165.2 Ų | 165.2 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | | | trans | -114.9 | 142.5 | 156.3 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 269 | K | 37.9 | Very low | 39.7 | Very low | 190 Ų | 190 | 162.4 Ų | 162.4 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | -129.1 | 104.4 | -158.1 | 178.4 | -176.2 | -177.7 | 177.5 | 0 | 110.5 | | |
| 270 | T | 46.6 | Very low | 39.8 | Very low | 144 Ų | 144 | 167.3 Ų | 167.3 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | -129.2 | 125.2 | 168 | 13.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 271 | R | 38.4 | Very low | 40.1 | Very low | 199 Ų | 199 | 165.4 Ų | 165.4 | 75% | 0.751 | 82% | 0.817 | S | S | * | * | | | trans | -128.7 | 96.5 | -176.7 | 175.4 | -168.7 | 177.5 | 173.3 | 4.8 | 107.6 | | |
| 272 | E | 48.5 | Very low | 40 | Very low | 196 Ų | 196 | 169.2 Ų | 169.2 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | -71.1 | 141.1 | 163.7 | -76.6 | -170.1 | 115.7 | 0 | 0 | 110.2 | | |
| 273 | K | 42.1 | Very low | 40.3 | Very low | 147 Ų | 147 | 164 Ų | 164 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | | | trans | -118.2 | 99.5 | 176.9 | -79.4 | 178.1 | 174.7 | 174.5 | 0 | 108.5 | | |
| 274 | S | 43.2 | Very low | 40.1 | Very low | 120 Ų | 120 | 163.7 Ų | 163.7 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -70.3 | 127.6 | 164.4 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | R276 | S274-R276 PolarHBondContact O-N 2.93Š|
| 275 | H | 33.9 | Very low | 40.7 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -74.4 | 106.1 | -175.8 | -77.5 | -126.8 | 0 | 0 | 0 | 112.7 | | |
| 276 | R | 38.5 | Very low | 40.6 | Very low | 220 Ų | 220 | 166.4 Ų | 166.4 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -161.7 | 124.8 | 150.6 | -118.4 | 169.7 | -174 | 161.9 | 3.6 | 111.9 | S274 | S274-R276 PolarHBondContact O-N 2.93Š|
| 277 | F | 38.2 | Very low | 40.5 | Very low | 181 Ų | 181 | 162.3 Ų | 162.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 65.4 | 122.3 | 176.4 | -53.2 | -77.2 | 0 | 0 | 0 | 117.3 | | |
| 278 | P | 45.3 | Very low | 40.8 | Very low | 107 Ų | 107 | 159.5 Ų | 159.5 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | trans | -80.9 | 129.7 | 165.6 | 32.5 | -30.1 | 0 | 0 | 0 | 110 | F280 | P278-F280 PolarHBondContact O-N 2.96Š|
| 279 | P | 44.8 | Very low | 40.6 | Very low | 114 Ų | 114 | 157.7 Ų | 157.7 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -70.9 | 123.5 | 171.3 | 28.1 | -31.9 | 0 | 0 | 0 | 110.1 | S281 | P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 3.26Å |
| 280 | F | 35.1 | Very low | 40.6 | Very low | 215 Ų | 215 | 157.3 Ų | 157.3 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | | | trans | -70.9 | 85.2 | 170.1 | -95.5 | -95.7 | 0 | 0 | 0 | 109.9 | P278 | P278-F280 PolarHBondContact O-N 2.96Š|
| 281 | S | 45.9 | Very low | 40.3 | Very low | 93 Ų | 93 | 160.9 Ų | 160.9 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | -145.6 | 53.9 | 174.2 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | P279 | P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 3.26Å |
| 282 | K | 36.9 | Very low | 40.4 | Very low | 213 Ų | 213 | 160.3 Ų | 160.3 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | | | trans | -117.9 | 96.6 | 162.4 | -76.1 | -171.2 | 175 | -173.9 | 0 | 108.4 | | |
| 283 | G | 39.9 | Very low | 40 | Very low | 68 Ų | 68 | 158.1 Ų | 158.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 178.6 | -20.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 284 | Y | 36.5 | Very low | 39.7 | Very low | 209 Ų | 209 | 156.7 Ų | 156.7 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | | | trans | -112.6 | 1.5 | -172.7 | -89.3 | -88.1 | 0 | 0 | 0 | 116.4 | K286 | Y284-K286 PolarHBondContact O-N 3.04Š|
| 285 | E | 43.2 | Very low | 39.2 | Very low | 191 Ų | 191 | 158.3 Ų | 158.3 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 27.4 | 178.1 | -69.8 | -177 | 134.1 | 0 | 0 | 114.6 | | |
| 286 | K | 38.5 | Very low | 39.2 | Very low | 184 Ų | 184 | 157.4 Ų | 157.4 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | 12 | -178.7 | -136.1 | 176.9 | -174.7 | -179.4 | 0 | 115.8 | Y284 | Y284-K286 PolarHBondContact O-N 3.04Š|
| 287 | V | 40.1 | Very low | 39.1 | Very low | 102 Ų | 102 | 155.6 Ų | 155.6 | 62% | 0.618 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -118 | -27.1 | -175.4 | -172.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 288 | D | 41.7 | Very low | 39 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -2.2 | 179.2 | -79.2 | -47.1 | 0 | 0 | 0 | 115.3 | | |
| 289 | S | 38.1 | Very low | 38.4 | Very low | 106 Ų | 106 | 155.3 Ų | 155.3 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -1.5 | -179.8 | -141.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 290 | F | 37.9 | Very low | 38.1 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -111 | -1 | 177.7 | -83.3 | -82.2 | 0 | 0 | 0 | 114.2 | | |
| 291 | R | 39.4 | Very low | 38 | Very low | 220 Ų | 220 | 152.9 Ų | 152.9 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -97.9 | 7.6 | -175.6 | -145 | 175.1 | -165.3 | 167.1 | 5.2 | 115 | | |
| 292 | K | 40.8 | Very low | 37.7 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -120.2 | 3.2 | -174.2 | -76.7 | -177.2 | 174.4 | 176.6 | 0 | 115.8 | | |
| 293 | N | 39.9 | Very low | 37.5 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -114.9 | 17.5 | -175.1 | -90.4 | 25.5 | 0 | 0 | 0 | 115.1 | | |
| 294 | C | 35.4 | Very low | 37.5 | Very low | 117 Ų | 117 | 150 Ų | 150 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -130.2 | 50 | -179.7 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 295 | N | 33.2 | Very low | 37.6 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -101.4 | 131.2 | 153 | -83 | -17.1 | 0 | 0 | 0 | 106.9 | | |
| 296 | L | 33.7 | Very low | 37.5 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | trans | 88.8 | 83.7 | -167.1 | -73.4 | 67.5 | 0 | 0 | 0 | 115 | | |
| 297 | H | 37.3 | Very low | 37.6 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | | | | -163.4 | 154.8 | 104.1 | -136.8 | -100.9 | 0 | 0 | 0 | 112.5 | | |
| 298 | S | 35.3 | Very low | 37.3 | Very low | 81 Ų | 81 | 144.4 Ų | 144.4 | 57% | 0.566 | 77% | 0.766 | S | S | * | * | | | trans | -88.5 | 139.3 | -171.9 | 42.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 299 | F | 32.8 | Very low | 37 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | trans | 72.2 | 145.2 | 141.1 | -85.1 | -99.9 | 0 | 0 | 0 | 122.9 | | |
| 300 | C | 38 | Very low | 36.9 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | 75.6 | 91.6 | 155.6 | -62.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 301 | E | 33.5 | Very low | 36.8 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | | | | 47.6 | 138.9 | 113.4 | -111.2 | -174 | -155.5 | 0 | 0 | 124.1 | | |
| 302 | N | 39.3 | Very low | 36.7 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | 69.3 | 134.3 | 158.4 | -50.6 | -39.8 | 0 | 0 | 0 | 117.5 | | |
| 303 | G | 33.5 | Very low | 36.5 | Very low | 66 Ų | 66 | 138.2 Ų | 138.2 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | | | cis | 165.7 | 160.6 | -4.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 304 | A | 39.1 | Very low | 36.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | 63.6 | 154.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 305 | Q | 39.1 | Very low | 36.9 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | cis | -168.4 | 165.3 | -33.7 | -134.6 | -176.5 | 13.5 | 0 | 0 | 108.8 | | |
| 306 | N | 41.2 | Very low | 37.5 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | trans | 78.8 | 117.9 | 148.1 | -58.1 | -22.5 | 0 | 0 | 0 | 123.5 | | |
| 307 | H | 40 | Very low | 38 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | | | | 82.5 | 106.4 | 123.2 | -86.2 | -119.9 | 0 | 0 | 0 | 123.9 | | |
| 308 | L | 34.2 | Very low | 38 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | | 62.7 | 121.2 | 110.9 | -105.3 | 132.6 | 0 | 0 | 0 | 122 | | |
| 309 | R | 35 | Very low | 38 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | | | | 123.1 | 95.2 | 117.9 | -156.2 | 169.9 | -174.4 | 166 | 1.1 | 118.7 | | |
| 310 | S | 35.6 | Very low | 38.3 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | | | | 54.4 | 143.2 | 124.2 | -42.6 | 0 | 0 | 0 | 0 | 125 | | |
| 311 | H | 37.1 | Very low | 38.4 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 112.2 | 102.9 | 141 | -72.6 | -69.8 | 0 | 0 | 0 | 121.4 | | |
| 312 | V | 36.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | | 63.8 | 142.9 | 117.2 | 178.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 313 | S | 37.5 | Very low | 38.5 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | 94 | 147.6 | 158.8 | -149.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 314 | S | 40.8 | Very low | 38.8 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | | | cis | -167.5 | 166.9 | -39.7 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 315 | K | 41.6 | Very low | 38.9 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | 79.1 | 145.3 | 158.1 | -69.7 | 177.5 | 178.3 | 177.8 | 0 | 121.6 | | |
| 316 | P | 47 | Very low | 38.6 | Very low | 127 Ų | 127 | 149 Ų | 149 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -108.2 | 177.9 | 175.5 | 42.8 | -35.3 | 0 | 0 | 0 | 113.9 | | |
| 317 | A | 43.3 | Very low | 38.5 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -143.5 | 164.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 318 | V | 37.4 | Very low | 37.9 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | trans | -133.6 | 145.7 | -164.7 | 173.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 319 | F | 36.1 | Very low | 38.1 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | | | trans | -158.3 | 159.1 | 141.2 | -136.5 | -112.1 | 0 | 0 | 0 | 116.3 | | |
| 320 | L | 37.9 | Very low | 38.1 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | | | trans | -48.7 | 170.2 | 180 | -92.1 | 79.1 | 0 | 0 | 0 | 116 | | |
| 321 | E | 41 | Very low | 38.3 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | cis | -157.1 | 173.5 | 44.2 | -150.5 | 164.7 | 179.8 | 0 | 0 | 115.6 | | |
| 322 | R | 34.2 | Very low | 38.3 | Very low | 223 Ų | 223 | 145 Ų | 145 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | -107.1 | 159.7 | -179.8 | -59.9 | 179.9 | -174.4 | 111.5 | -1.8 | 111.3 | | |
| 323 | V | 41.1 | Very low | 38.4 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | | 162.2 | 107.6 | 119.9 | 160.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 324 | Q | 38.5 | Very low | 38.8 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | | 50.1 | 108.7 | 129.6 | -153.5 | -179.2 | 17.1 | 0 | 0 | 121 | | |
| 325 | K | 41.1 | Very low | 38.7 | Very low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | | -173.8 | 157.8 | 111.7 | -102.3 | 171.6 | -176 | 176.9 | 0 | 114.1 | | |
| 326 | Q | 33.9 | Very low | 38.6 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | -55.5 | 144.7 | -167.4 | -65 | 144.6 | -41.1 | 0 | 0 | 116.3 | | |
| 327 | G | 37.7 | Very low | 38 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -166.5 | 99.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V329 | G327-V329 PolarHBondContact O-N 3.42Š|
| 328 | H | 29.3 | Very low | 37.9 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | trans | -79.3 | 106 | -170.6 | 177.2 | -76.8 | 0 | 0 | 0 | 112 | T330 | H328-T330 PolarHBondContact CE1-OG1 3.04Š|
| 329 | V | 36.9 | Very low | 38.2 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | | | trans | -131.7 | 109.9 | 166.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | G327 | G327-V329 PolarHBondContact O-N 3.42Š|
| 330 | T | 35.6 | Very low | 38.3 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 120.7 | 176 | -42.6 | 0 | 0 | 0 | 0 | 109.4 | H328 | H328-T330 PolarHBondContact CE1-OG1 3.04Š|
| 331 | V | 38.7 | Very low | 38.4 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 116.7 | 170.8 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 332 | E | 37.3 | Very low | 38.2 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.5 | -179.5 | -64.6 | -169 | 126.8 | 0 | 0 | 112.5 | | |
| 333 | C | 39 | Very low | 38.4 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 129.3 | 163.7 | -66 | 0 | 0 | 0 | 0 | 109.4 | K335 | C333-K335 PolarHBondContact O-N 2.74Š|
| 334 | P | 47.3 | Very low | 38.3 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -67 | 110 | 177.3 | 26 | -32.4 | 0 | 0 | 0 | 110.6 | V336 | P334-V336 PolarHBondContact O-N 3.35Š|
| 335 | K | 37.9 | Very low | 38.1 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | -73.9 | 92.8 | -175.8 | -162.7 | 174.5 | -171 | 176.1 | 0 | 110.5 | C333 T337 | C333-K335 PolarHBondContact O-N 2.74Å; K335-T337 VanDerWaalsContact C-N 3.35Å; K335-T337 PolarHBondContact O-N 2.77Å; K335-T337 PolarHBondContact O-OG1 2.99Å |
| 336 | V | 39.9 | Very low | 38.4 | Very low | 134 Ų | 134 | 140 Ų | 140 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -62.1 | 95.7 | 174 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | P334 V338 | P334-V336 PolarHBondContact O-N 3.35Å; V336-V338 PolarHBondContact O-N 2.97Å |
| 337 | T | 35 | Very low | 38.7 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | | | trans | -86.1 | 97.8 | -178.5 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | K335 K339 | K335-T337 VanDerWaalsContact C-N 3.35Å; K335-T337 PolarHBondContact O-N 2.77Å; K335-T337 PolarHBondContact O-OG1 2.99Å; T337-K339 PolarHBondContact O-N 2.82Å; T337-K339 VanDerWaalsContact O-N 3.12Å |
| 338 | V | 40.4 | Very low | 39.1 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | trans | -69.2 | 104.3 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | V336 | V336-V338 PolarHBondContact O-N 2.97Š|
| 339 | K | 43.2 | Very low | 40.1 | Very low | 175 Ų | 175 | 141 Ų | 141 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | -73.6 | 140.3 | 168.7 | -73.6 | -173.8 | 175.3 | -176.2 | 0 | 109.5 | T337 | T337-K339 PolarHBondContact O-N 2.82Å; T337-K339 VanDerWaalsContact O-N 3.12Å |
| 340 | P | 38.6 | Very low | 40.4 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -67.5 | 141.6 | 175.5 | 29.1 | -33.9 | 0 | 0 | 0 | 110.5 | S342 | P340-S342 PolarHBondContact O-N 3.33Š|
| 341 | I | 39.7 | Very low | 41.5 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | | | trans | -82.5 | 90.7 | 172.2 | -59.8 | 171 | 0 | 0 | 0 | 107 | | |
| 342 | S | 36.6 | Very low | 42.6 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | | | trans | -149.7 | 63.8 | 178.2 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | P340 | P340-S342 PolarHBondContact O-N 3.33Š|
| 343 | D | 39.6 | Very low | 44.4 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -166.8 | 164.2 | 156.2 | -108.3 | -36.3 | 0 | 0 | 0 | 110 | | |
| 344 | M | 38 | Very low | 46.2 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | 83.3 | 60.3 | -175.1 | -54 | -66.8 | 96.2 | 0 | 0 | 115.8 | | |
| 345 | C | 34.3 | Very low | 47.6 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | | | trans | -95.9 | 108.6 | 144.4 | -84.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 346 | K | 47.2 | Very low | 49.7 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | | | trans | -137.5 | 124 | 154.5 | -75.5 | -170.7 | 177.1 | -176.8 | 0 | 107.4 | E348 | K346-E348 PolarHBondContact O-N 2.88Š|
| 347 | P | 41.5 | Very low | 51.4 | Low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -76.6 | 108.5 | 169.4 | 30.5 | -29 | 0 | 0 | 0 | 107.8 | | |
| 348 | E | 46.3 | Very low | 53.5 | Low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | trans | -74.9 | 142.6 | 164.5 | -69.1 | -169.7 | 152.2 | 0 | 0 | 109.3 | K346 N350 | K346-E348 PolarHBondContact O-N 2.88Å; E348-N350 PolarHBondContact O-N 3.26Å |
| 349 | D | 48.8 | Very low | 55.3 | Low | 150 Ų | 150 | 146.8 Ų | 146.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -60 | 131.8 | -170.7 | -69.9 | -62.7 | 0 | 0 | 0 | 112.4 | L351 | D349-L351 PolarHBondContact O-N 3.37Š|
| 350 | N | 43.1 | Very low | 56.9 | Low | 161 Ų | 161 | 143.4 Ų | 143.4 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -71.3 | 74.7 | -179.8 | -70.4 | -68.6 | 0 | 0 | 0 | 111.6 | E348 L352 | E348-N350 PolarHBondContact O-N 3.26Å; N350-L352 PolarHBondContact O-N 2.98Å |
| 351 | L | 58.7 | Low | 58.7 | Low | 163 Ų | 163 | 145.8 Ų | 145.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -71.2 | 110.9 | 163.9 | -63.2 | -177.3 | 0 | 0 | 0 | 108.6 | D349 | D349-L351 PolarHBondContact O-N 3.37Š|
| 352 | L | 63.4 | Low | 59.6 | Low | 149 Ų | 149 | 143.8 Ų | 143.8 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | trans | -54.6 | 144.9 | 174.4 | -67.5 | 170 | 0 | 0 | 0 | 110.3 | N350 V354 | N350-L352 PolarHBondContact O-N 2.98Å; L352-V354 PolarHBondContact O-N 3.4Å |
| 353 | P | 74.5 | Confident | 60.8 | Low | 91 Ų | 91 | 149.1 Ų | 149.1 | 59% | 0.591 | 79% | 0.789 | S | S | * | * | | | trans | -61.5 | 111.1 | -179.9 | 25.3 | -34.1 | 0 | 0 | 0 | 110.6 | Y355 | P353-Y355 HydrophobicContact CB-CD2 4.44Å; P353-Y355 HydrophobicContact CB-CE2 3.84Å; P353-Y355 HydrophobicContact CG-CE2 3.87Å; P353-Y355 WeakPolarHBondContact O-CD2 3.18Å; P353-Y355 PolarHBondContact O-N 3.48Å |
| 354 | V | 76.9 | Confident | 61.6 | Low | 132 Ų | 132 | 149.8 Ų | 149.8 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -75.8 | 114 | 172.2 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | L352 | L352-V354 PolarHBondContact O-N 3.4Š|
| 355 | Y | 76.8 | Confident | 62.2 | Low | 195 Ų | 195 | 147.1 Ų | 147.1 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | | | trans | -95.7 | 106.6 | 172.4 | -68.8 | -83.9 | 0 | 0 | 0 | 109.9 | P353 | P353-Y355 HydrophobicContact CB-CD2 4.44Å; P353-Y355 HydrophobicContact CB-CE2 3.84Å; P353-Y355 HydrophobicContact CG-CE2 3.87Å; P353-Y355 WeakPolarHBondContact O-CD2 3.18Å; P353-Y355 PolarHBondContact O-N 3.48Å |
| 356 | T | 81.5 | Confident | 62.8 | Low | 130 Ų | 130 | 146 Ų | 146 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 126.3 | 165.4 | 13.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 357 | F | 75.6 | Confident | 62.9 | Low | 196 Ų | 196 | 145.3 Ų | 145.3 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 146.5 | 165.4 | -71.7 | -85.3 | 0 | 0 | 0 | 109.6 | | |
| 358 | A | 79.7 | Confident | 63 | Low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 359 | D | 77.3 | Confident | 62.9 | Low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 141 | 174.3 | -63.7 | -47.1 | 0 | 0 | 0 | 110.9 | I361 | D359-I361 PolarHBondContact O-N 3.07Š|
| 360 | P | 78 | Confident | 62.6 | Low | 105 Ų | 105 | 149.1 Ų | 149.1 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.5 | -177.3 | 24.3 | -33.1 | 0 | 0 | 0 | 111.1 | H362 | P360-H362 PolarHBondContact O-N 2.9Š|
| 361 | I | 74.6 | Confident | 62.5 | Low | 158 Ų | 158 | 147.3 Ų | 147.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -69.5 | 94.5 | -179.6 | -55.3 | 173.7 | 0 | 0 | 0 | 109.5 | D359 K363 | D359-I361 PolarHBondContact O-N 3.07Å; I361-K363 PolarHBondContact O-N 3.06Å; I361-K363 VanDerWaalsContact O-N 3.09Å |
| 362 | H | 59.9 | Low | 61.4 | Low | 133 Ų | 133 | 144.7 Ų | 144.7 | 62% | 0.616 | 77% | 0.771 | S | S | * | * | | | trans | -67 | 105 | 169.4 | -90.4 | -101.6 | 0 | 0 | 0 | 110.5 | P360 F364 | P360-H362 PolarHBondContact O-N 2.9Å; H362-F364 HydrophobicContact CB-CD2 3.7Å; H362-F364 HydrophobicContact CB-CE2 3.44Å; H362-F364 VanDerWaalsContact CB-CE2 3.44Å; H362-F364 HydrophobicContact CB-CZ 4.1Å; H362-F364 AromaticContact CG-CE2 3.7Å; H362-F364 AromaticContact CG-CZ 3.91Å; H362-F364 AromaticContact ND1-CE1 3.93Å; H362-F364 AromaticContact ND1-CE2 3.59Å; H362-F364 AromaticContact ND1-CZ 3.29Å; H362-F364 VanDerWaalsContact ND1-CZ 3.29Å; H362-F364 WeakPolarHBondContact ND1-CZ 3.38Å; H362-F364 PolarHBondContact O-N 3.31Å |
| 363 | K | 62 | Low | 60.7 | Low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | trans | -76 | 73.2 | 166 | -67.3 | -177 | -178.9 | 177.4 | 0 | 110.1 | I361 S365 | I361-K363 PolarHBondContact O-N 3.06Å; I361-K363 VanDerWaalsContact O-N 3.09Å; K363-S365 PolarHBondContact O-N 3.06Å |
| 364 | F | 54.7 | Low | 58.9 | Low | 162 Ų | 162 | 144.4 Ų | 144.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -67.9 | 123.5 | 165.9 | -69.3 | -67.2 | 0 | 0 | 0 | 109.2 | H362 | H362-F364 HydrophobicContact CB-CD2 3.7Å; H362-F364 HydrophobicContact CB-CE2 3.44Å; H362-F364 VanDerWaalsContact CB-CE2 3.44Å; H362-F364 HydrophobicContact CB-CZ 4.1Å; H362-F364 AromaticContact CG-CE2 3.7Å; H362-F364 AromaticContact CG-CZ 3.91Å; H362-F364 AromaticContact ND1-CE1 3.93Å; H362-F364 AromaticContact ND1-CE2 3.59Å; H362-F364 AromaticContact ND1-CZ 3.29Å; H362-F364 VanDerWaalsContact ND1-CZ 3.29Å; H362-F364 WeakPolarHBondContact ND1-CZ 3.38Å; H362-F364 PolarHBondContact O-N 3.31Å |
| 365 | S | 52 | Low | 57.4 | Low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -64.9 | 134.7 | 170.3 | -172.2 | 0 | 0 | 0 | 0 | 109 | K363 H367 | K363-S365 PolarHBondContact O-N 3.06Å; S365-H367 PolarHBondContact O-N 2.86Å |
| 366 | V | 46.9 | Very low | 55.5 | Low | 110 Ų | 110 | 140.3 Ų | 140.3 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -79.8 | 60.3 | -175.7 | -171 | 0 | 0 | 0 | 0 | 110.4 | | |
| 367 | H | 49.2 | Very low | 54 | Low | 164 Ų | 164 | 138.1 Ų | 138.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -146.7 | 74.5 | 171.7 | -85.1 | 58.6 | 0 | 0 | 0 | 107.6 | S365 | S365-H367 PolarHBondContact O-N 2.86Š|
| 368 | D | 44.3 | Very low | 52.6 | Low | 163 Ų | 163 | 137.7 Ų | 137.7 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | trans | 171.3 | 78 | 148.1 | -87.8 | -21.7 | 0 | 0 | 0 | 110.9 | K370 | D368-K370 PolarHBondContact O-N 2.82Š|
| 369 | H | 43.1 | Very low | 51.3 | Low | 175 Ų | 175 | 141.4 Ų | 141.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | -93.8 | 70.9 | 173.6 | -75.7 | -60.1 | 0 | 0 | 0 | 112.1 | | |
| 370 | K | 42 | Very low | 50.2 | Low | 196 Ų | 196 | 142.3 Ų | 142.3 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | | | trans | -159.4 | 99.2 | 156.1 | -147 | 170.9 | -174.7 | 177.9 | 0 | 113.8 | D368 | D368-K370 PolarHBondContact O-N 2.82Š|
| 371 | T | 42.7 | Very low | 49.1 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | | 165.1 | 114 | 128.7 | -68.5 | 0 | 0 | 0 | 0 | 107.8 | V373 | T371-V373 HydrophobicContact CG2-CG2 4Å; T371-V373 PolarHBondContact O-N 3.04Å |
| 372 | A | 34.2 | Very low | 48.4 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | | | trans | -83 | 107.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 373 | V | 49.7 | Very low | 48.1 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -134.2 | 109.3 | 168.9 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | T371 | T371-V373 HydrophobicContact CG2-CG2 4Å; T371-V373 PolarHBondContact O-N 3.04Å |
| 374 | S | 35.8 | Very low | 48.2 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -83.6 | 148.6 | 147.6 | 178.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 375 | P | 45.2 | Very low | 47.9 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | cis | -144.3 | -176.5 | 31.9 | 37 | -14.1 | 0 | 0 | 0 | 116.8 | | |
| 376 | T | 38.2 | Very low | 48.4 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | | | trans | 28.2 | 102.5 | 147.9 | -44.4 | 0 | 0 | 0 | 0 | 119 | | |
| 377 | A | 49.6 | Very low | 48.8 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | -142.3 | 148.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 378 | H | 46.8 | Very low | 49 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -64 | 137.4 | -174.7 | -72 | -112.1 | 0 | 0 | 0 | 112.5 | E380 | H378-E380 PolarHBondContact O-N 2.8Š|
| 379 | H | 51.3 | Low | 49.5 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | -78.9 | 83.1 | 173.9 | -63.5 | -53 | 0 | 0 | 0 | 111.4 | | |
| 380 | E | 54.2 | Low | 50.1 | Low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | -90.1 | 118.6 | 167 | -163.5 | 166.8 | -139.9 | 0 | 0 | 109.8 | H378 L382 | H378-E380 PolarHBondContact O-N 2.8Å; E380-L382 PolarHBondContact O-N 3.2Å; E380-L382 VanDerWaalsContact O-N 3.08Å |
| 381 | Y | 55.7 | Low | 51.3 | Low | 201 Ų | 201 | 136 Ų | 136 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | | | trans | -82.2 | 84.2 | -176.9 | -67.6 | -83.1 | 0 | 0 | 0 | 111.5 | F383 | Y381-F383 PolarHBondContact O-N 3.5Š|
| 382 | L | 59.3 | Low | 52.1 | Low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -78.7 | 107.5 | 167.4 | -78.3 | 167.4 | 0 | 0 | 0 | 110.6 | E380 S384 | E380-L382 PolarHBondContact O-N 3.2Å; E380-L382 VanDerWaalsContact O-N 3.08Å; L382-S384 PolarHBondContact O-N 3.07Å |
| 383 | F | 53.8 | Low | 53.2 | Low | 193 Ų | 193 | 138.1 Ų | 138.1 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | -67.5 | 113.3 | 167.1 | -83.9 | -90 | 0 | 0 | 0 | 109.9 | Y381 C385 | Y381-F383 PolarHBondContact O-N 3.5Å; F383-C385 PolarHBondContact O-N 2.9Å |
| 384 | S | 64.4 | Low | 53.3 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | | | trans | -59 | 110.2 | 172.6 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | L382 | L382-S384 PolarHBondContact O-N 3.07Š|
| 385 | C | 48.8 | Very low | 54 | Low | 114 Ų | 114 | 138.9 Ų | 138.9 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -59.6 | 133.7 | 169 | -72.5 | 0 | 0 | 0 | 0 | 109 | F383 S387 | F383-C385 PolarHBondContact O-N 2.9Å; C385-S387 PolarHBondContact O-N 2.87Å |
| 386 | P | 61.6 | Low | 53.9 | Low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -64.4 | 112.3 | -178.5 | 25.1 | -33.2 | 0 | 0 | 0 | 109.8 | R388 | P386-R388 VanDerWaalsContact C-N 3.32Å; P386-R388 PolarHBondContact O-N 3.1Å |
| 387 | S | 54.3 | Low | 54.3 | Low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -65.1 | 85.1 | -177.8 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | C385 | C385-S387 PolarHBondContact O-N 2.87Š|
| 388 | R | 53.6 | Low | 54.1 | Low | 206 Ų | 206 | 143.5 Ų | 143.5 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -79.3 | 119.9 | 164.8 | -62 | -164 | -172.3 | -163.6 | 9.3 | 107.9 | P386 C390 | P386-R388 VanDerWaalsContact C-N 3.32Å; P386-R388 PolarHBondContact O-N 3.1Å; R388-C390 PolarHBondContact O-N 3.2Å |
| 389 | L | 55.5 | Low | 53.7 | Low | 172 Ų | 172 | 138.2 Ų | 138.2 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | | | trans | -67.1 | 79.9 | 165.8 | -84.2 | 72.8 | 0 | 0 | 0 | 109 | S391 | L389-S391 PolarHBondContact O-N 3.37Š|
| 390 | C | 56 | Low | 53.4 | Low | 48 Ų | 48 | 135.4 Ų | 135.4 | 32% | 0.324 | 78% | 0.775 | S | S | . | * | | | trans | -80.6 | 108.6 | 164.9 | 166.4 | 0 | 0 | 0 | 0 | 107.7 | R388 K392 C393 | R388-C390 PolarHBondContact O-N 3.2Å; C390-K392 PolarHBondContact O-N 2.96Å; C390-C393 HydrophobicContact CB-CB 3.56Å; C390-C393 WeakPolarHBondContact CB-SG 3.26Å; C390-C393 PolarHBondContact O-N 2.98Å; C390-C393 VanDerWaalsContact O-N 3.13Å; C390-C393 WeakPolarHBondContact SG-CB 3.17Å; C390-C393 PolarHBondContact SG-N 2.84Å; C390-C393 CovalentContact SG-SG 2.04Å; C390-C393 PolarHBondContact SG-SG 3.37Å |
| 391 | S | 66.5 | Low | 52.7 | Low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -3.6 | 178.7 | 51.7 | 0 | 0 | 0 | 0 | 115 | L389 | L389-S391 PolarHBondContact O-N 3.37Š|
| 392 | K | 60.1 | Low | 51.9 | Low | 185 Ų | 185 | 136.6 Ų | 136.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 4.2 | 179.6 | -62.2 | -174.7 | 177.4 | -176.8 | 0 | 114 | C390 | C390-K392 PolarHBondContact O-N 2.96Š|
| 393 | C | 57.5 | Low | 50.9 | Low | 90 Ų | 90 | 134.1 Ų | 134.1 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | -112.9 | 4.3 | -172.9 | -54.4 | 0 | 0 | 0 | 0 | 113.8 | C390 T395 | C390-C393 HydrophobicContact CB-CB 3.56Å; C390-C393 WeakPolarHBondContact CB-SG 3.26Å; C390-C393 PolarHBondContact O-N 2.98Å; C390-C393 VanDerWaalsContact O-N 3.13Å; C390-C393 WeakPolarHBondContact SG-CB 3.17Å; C390-C393 PolarHBondContact SG-N 2.84Å; C390-C393 CovalentContact SG-SG 2.04Å; C390-C393 PolarHBondContact SG-SG 3.37Å; C393-T395 PolarHBondContact O-N 2.89Å |
| 394 | S | 51.4 | Low | 49.9 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -84.7 | 67.9 | -173.4 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 395 | T | 49.3 | Very low | 48.8 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | -146.5 | 92 | 170.7 | -9.1 | 0 | 0 | 0 | 0 | 109.2 | C393 | C393-T395 PolarHBondContact O-N 2.89Š|
| 396 | G | 44.2 | Very low | 48.3 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | 151.3 | 29.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 397 | L | 47.1 | Very low | 47.4 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -132.6 | 115.4 | 162.6 | -79.4 | 175.6 | 0 | 0 | 0 | 109.5 | | |
| 398 | I | 45.4 | Very low | 46.4 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | | | trans | -105.7 | 127.4 | 177.6 | -64.6 | 172.3 | 0 | 0 | 0 | 107.6 | | |
| 399 | G | 38.9 | Very low | 45.5 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | 78.9 | 137.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 400 | S | 43.6 | Very low | 44.7 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | cis | -128.7 | 157 | 8.5 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 401 | E | 39.8 | Very low | 44.1 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -64.4 | 133 | 176.1 | -53.7 | 179.3 | 130.8 | 0 | 0 | 111.4 | | |
| 402 | F | 39.7 | Very low | 42.9 | Very low | 209 Ų | 209 | 141 Ų | 141 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -138.3 | 118.3 | 145.8 | -106.2 | -79.1 | 0 | 0 | 0 | 111.4 | L404 | F402-L404 PolarHBondContact O-N 3.4Š|
| 403 | S | 37.2 | Very low | 41.7 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -48.1 | 121.6 | -170.5 | 167.4 | 0 | 0 | 0 | 0 | 115.6 | R405 | S403-R405 PolarHBondContact O-N 3.02Š|
| 404 | L | 33.4 | Very low | 41.2 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | -82.6 | 106.6 | 164.6 | -169.7 | 147.6 | 0 | 0 | 0 | 110 | F402 | F402-L404 PolarHBondContact O-N 3.4Š|
| 405 | R | 40.1 | Very low | 40.6 | Very low | 203 Ų | 203 | 145.8 Ų | 145.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -139.4 | 120.3 | 166.5 | -76.1 | -164.1 | 177.5 | -161.4 | 0.2 | 113 | S403 | S403-R405 PolarHBondContact O-N 3.02Š|
| 406 | Q | 38.4 | Very low | 40.2 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | 53.2 | 95.4 | 148 | -62.4 | 170.8 | -87.6 | 0 | 0 | 118.8 | | |
| 407 | I | 43.4 | Very low | 40.1 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | | -127.2 | 95.7 | 120 | -56.9 | -177.5 | 0 | 0 | 0 | 107.9 | | |
| 408 | T | 33.3 | Very low | 40.3 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | | | trans | -95.4 | 122.5 | 162.9 | 44.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 409 | T | 34.9 | Very low | 40 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | trans | 174.6 | 138.2 | 131.1 | 33 | 0 | 0 | 0 | 0 | 110.7 | | |
| 410 | E | 38.9 | Very low | 40.5 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | 58.5 | 126.9 | 148.3 | -63.4 | 151.6 | -129.9 | 0 | 0 | 119.1 | | |
| 411 | S | 42.4 | Very low | 40.9 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -166 | 164.1 | 4.9 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 412 | N | 43.1 | Very low | 42.5 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | 73.8 | 100.6 | 159.6 | -58 | -33.5 | 0 | 0 | 0 | 121.3 | | |
| 413 | S | 33.5 | Very low | 44.9 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | 41.9 | 96.9 | 131.7 | -62.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 414 | I | 46.5 | Very low | 47.5 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | | | | -142.2 | 108 | 107 | -85.5 | 132.6 | 0 | 0 | 0 | 106.9 | S416 | I414-S416 VanDerWaalsContact C-N 3.33Å; I414-S416 PolarHBondContact O-N 3.4Å |
| 415 | K | 38.8 | Very low | 50.4 | Low | 207 Ų | 207 | 129.6 Ų | 129.6 | 90% | 0.9 | 67% | 0.67 | S | S | * | * | | | trans | -76.4 | 90.8 | 169.4 | -168.6 | 172.6 | -173.1 | 174.3 | 0 | 106.7 | K417 | K415-K417 VanDerWaalsContact C-N 3.3Å; K415-K417 PolarHBondContact O-N 3.25Å |
| 416 | S | 42.9 | Very low | 53 | Low | 90 Ų | 90 | 120 Ų | 120 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | | | trans | -60.8 | 97 | 173 | 43.5 | 0 | 0 | 0 | 0 | 108.5 | I414 I418 | I414-S416 VanDerWaalsContact C-N 3.33Å; I414-S416 PolarHBondContact O-N 3.4Å; S416-I418 PolarHBondContact O-N 2.92Å |
| 417 | K | 41.9 | Very low | 55.6 | Low | 173 Ų | 173 | 119.7 Ų | 119.7 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | | | trans | -66.5 | 86 | 166.4 | -168.2 | -171.4 | -171 | -175.2 | 0 | 106.3 | K415 T419 | K415-K417 VanDerWaalsContact C-N 3.3Å; K415-K417 PolarHBondContact O-N 3.25Å; K417-T419 HydrophobicContact CD-CG2 3.96Å; K417-T419 HydrophobicContact CG-CG2 4.07Å; K417-T419 PolarHBondContact O-N 3.35Å; K417-T419 PolarHBondContact O-OG1 3.44Å |
| 418 | I | 50.1 | Low | 57.9 | Low | 146 Ų | 146 | 116.2 Ų | 116.2 | 75% | 0.749 | 62% | 0.62 | S | S | * | * | | | trans | -68.2 | 72.4 | 159 | -53.5 | 176.1 | 0 | 0 | 0 | 105.5 | S416 E420 | S416-I418 PolarHBondContact O-N 2.92Å; I418-E420 PolarHBondContact O-N 3.18Å |
| 419 | T | 39.9 | Very low | 60.8 | Low | 70 Ų | 70 | 113 Ų | 113 | 43% | 0.429 | 60% | 0.601 | S | S | . | * | | | trans | -54.6 | 129.3 | 147.8 | 29.9 | 0 | 0 | 0 | 0 | 105.9 | K417 T421 | K417-T419 HydrophobicContact CD-CG2 3.96Å; K417-T419 HydrophobicContact CG-CG2 4.07Å; K417-T419 PolarHBondContact O-N 3.35Å; K417-T419 PolarHBondContact O-OG1 3.44Å; T419-T421 PolarHBondContact O-N 3.37Å |
| 420 | E | 48.8 | Very low | 63.6 | Low | 175 Ų | 175 | 111.3 Ų | 111.3 | 82% | 0.818 | 59% | 0.587 | S | S | * | * | | | trans | -65.9 | 72.4 | 171.4 | -61.5 | 176 | 129.9 | 0 | 0 | 108.9 | I418 N422 | I418-E420 PolarHBondContact O-N 3.18Å; E420-N422 PolarHBondContact O-N 3.41Å |
| 421 | T | 51.2 | Low | 66.2 | Low | 97 Ų | 97 | 106.5 Ų | 106.5 | 60% | 0.595 | 57% | 0.567 | S | S | * | * | | | trans | -77.5 | 80.6 | 174.2 | 53.7 | 0 | 0 | 0 | 0 | 107.3 | T419 T423 | T419-T421 PolarHBondContact O-N 3.37Å; T421-T423 WeakPolarHBondContact O-CG2 3.04Å; T421-T423 PolarHBondContact O-N 3.28Å; T421-T423 PolarHBondContact O-OG1 3.05Å |
| 422 | N | 73.5 | Confident | 68.7 | Low | 120 Ų | 120 | 108.8 Ų | 108.8 | 64% | 0.642 | 57% | 0.567 | S | S | * | * | | | trans | -21 | 100 | 161.9 | -86.2 | -0.6 | 0 | 0 | 0 | 112 | E420 D435 | E420-N422 PolarHBondContact O-N 3.41Å; N422-D435 WeakPolarHBondContact CA-OD2 3.35Å; N422-D435 HydrophobicContact CB-CB 3.85Å; N422-D435 WeakPolarHBondContact CB-OD2 3.2Å; N422-D435 VanDerWaalsContact O-CB 3.25Å; N422-D435 WeakPolarHBondContact O-CB 3.47Å; N422-D435 PolarHBondContact O-N 3.18Å |
| 423 | T | 90.4 | Very high | 71.1 | Confident | 78 Ų | 78 | 102 Ų | 102 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.8 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | T421 N433 D435 | T421-T423 WeakPolarHBondContact O-CG2 3.04Å; T421-T423 PolarHBondContact O-N 3.28Å; T421-T423 PolarHBondContact O-OG1 3.05Å; T423-N433 CarbonylContact C-O 3.46Å; T423-N433 WeakPolarHBondContact CA-O 3.19Å; T423-N433 WeakPolarHBondContact CB-O 3.35Å; T423-D435 PolarHBondContact N-OD2 2.86Å |
| 424 | W | 93.2 | Very high | 73.9 | Confident | 19 Ų | 19 | 99.2 Ų | 99.2 | 7% | 0.072 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.5 | 178.1 | 68.6 | -78.4 | 0 | 0 | 0 | 111 | C426 N433 S434 D435 R437 A439 C440 K447 | W424-C426 HydrophobicContact CE3-CB 4.29Å; W424-C426 HydrophobicContact CH2-CB 3.9Å; W424-C426 VanDerWaalsContact CZ3-CA 3.47Å; W424-C426 HydrophobicContact CZ3-CB 3.45Å; W424-C426 VanDerWaalsContact CZ3-CB 3.45Å; W424-N433 HydrophobicContact CD2-CB 4.25Å; W424-N433 HydrophobicContact CG-CB 4.46Å; W424-N433 HydrophobicContact CZ2-CB 4.04Å; W424-N433 PolarHBondContact N-O 3.49Å; W424-N433 PolarHBondContact O-N 2.9Å; W424-S434 PolarHBondContact NE1-O 3.35Å; W424-D435 WeakPolarHBondContact CB-OD1 3.34Å; W424-D435 PolarHBondContact N-OD1 3.48Å; W424-R437 PolarHBondContact NE1-O 3.14Å; W424-A439 VanDerWaalsContact CZ2-C 3.47Å; W424-C440 HydrophobicContact CH2-CB 4.21Å; W424-K447 HydrophobicContact CB-CD 4Å; W424-K447 HydrophobicContact CB-CG 4.42Å; W424-K447 HydrophobicContact CD2-CB 3.87Å; W424-K447 HydrophobicContact CD2-CD 3.79Å; W424-K447 HydrophobicContact CD2-CG 3.64Å; W424-K447 HydrophobicContact CE3-CB 3.9Å; W424-K447 HydrophobicContact CE3-CD 4.39Å; W424-K447 HydrophobicContact CE3-CG 3.73Å; W424-K447 HydrophobicContact CG-CD 3.57Å; W424-K447 HydrophobicContact CG-CG 3.94Å; W424-K447 HydrophobicContact CH2-CB 3.85Å; W424-K447 HydrophobicContact CZ2-CB 3.83Å; W424-K447 VanDerWaalsContact CZ3-CA 3.47Å; W424-K447 HydrophobicContact CZ3-CB 3.87Å; W424-K447 HydrophobicContact CZ3-CG 4.2Å |
| 425 | R | 94.4 | Very high | 75.9 | Confident | 107 Ų | 107 | 94 Ų | 94 | 40% | 0.404 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121 | -178.5 | -167.2 | 175.3 | -175.7 | -172.8 | -2.6 | 108.9 | E427 L430 L431 | R425-E427 PolarHBondContact O-N 3.02Å; R425-L430 WeakPolarHBondContact CG-O 3.3Å; R425-L430 PolarHBondContact NE-O 2.96Å; R425-L431 WeakPolarHBondContact CA-O 3.34Å |
| 426 | C | 94.7 | Very high | 78.3 | Confident | 3 Ų | 3 | 93.8 Ų | 93.8 | 2% | 0.02 | 48% | 0.484 | C | S | . | . | | | trans | -68.5 | 129.7 | 173.8 | 144.9 | 0 | 0 | 0 | 0 | 108.7 | W424 T428 C429 L430 L431 C440 C443 | W424-C426 HydrophobicContact CE3-CB 4.29Å; W424-C426 HydrophobicContact CH2-CB 3.9Å; W424-C426 VanDerWaalsContact CZ3-CA 3.47Å; W424-C426 HydrophobicContact CZ3-CB 3.45Å; W424-C426 VanDerWaalsContact CZ3-CB 3.45Å; C426-T428 PolarHBondContact O-N 3.32Å; C426-T428 VanDerWaalsContact O-N 3.16Å; C426-T428 PolarHBondContact SG-N 3.12Å; C426-T428 VanDerWaalsContact SG-N 3.36Å; C426-C429 WeakPolarHBondContact CB-SG 3.34Å; C426-C429 PolarHBondContact SG-N 3.49Å; C426-C429 PolarHBondContact SG-SG 3.4Å; C426-L430 WeakPolarHBondContact O-CA 3.44Å; C426-L430 PolarHBondContact O-N 3.01Å; C426-L431 PolarHBondContact N-O 3.23Å; C426-C440 HydrophobicContact CB-CB 3.51Å; C426-C443 WeakPolarHBondContact CB-SG 3.36Å; C426-C443 WeakPolarHBondContact SG-CB 3.4Å; C426-C443 CovalentContact SG-SG 2.09Å; C426-C443 PolarHBondContact SG-SG 3.47Å |
| 427 | E | 91.4 | Very high | 80.4 | Confident | 141 Ų | 141 | 94.7 Ų | 94.7 | 66% | 0.659 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.4 | -176.6 | -67.3 | 165.2 | -162 | 0 | 0 | 111.8 | R425 S448 | R425-E427 PolarHBondContact O-N 3.02Å; E427-S448 WeakPolarHBondContact OE1-CB 3.4Å; E427-S448 PolarHBondContact OE1-OG 2.99Å |
| 428 | T | 92.7 | Very high | 82.7 | Confident | 100 Ų | 100 | 92.1 Ų | 92.1 | 61% | 0.613 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -51 | -179.9 | -32.2 | 0 | 0 | 0 | 0 | 114.2 | C426 L445 | C426-T428 PolarHBondContact O-N 3.32Å; C426-T428 VanDerWaalsContact O-N 3.16Å; C426-T428 PolarHBondContact SG-N 3.12Å; C426-T428 VanDerWaalsContact SG-N 3.36Å; T428-L445 HydrophobicContact CG2-CD1 3.9Å; T428-L445 WeakPolarHBondContact OG1-CD1 3.37Å |
| 429 | C | 94.1 | Very high | 84.7 | Confident | 42 Ų | 42 | 87 Ų | 87 | 28% | 0.284 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -18.9 | 179.9 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | C426 L431 C440 C443 | C426-C429 WeakPolarHBondContact CB-SG 3.34Å; C426-C429 PolarHBondContact SG-N 3.49Å; C426-C429 PolarHBondContact SG-SG 3.4Å; C429-L431 HydrophobicContact CB-CB 4.09Å; C429-L431 PolarHBondContact O-N 2.96Å; C429-L431 WeakPolarHBondContact SG-CB 3.34Å; C429-C440 WeakPolarHBondContact CB-SG 3.09Å; C429-C440 WeakPolarHBondContact SG-CB 3.01Å; C429-C440 CovalentContact SG-SG 2.1Å; C429-C440 PolarHBondContact SG-SG 2.93Å; C429-C443 HydrophobicContact CB-CB 3.65Å; C429-C443 VanDerWaalsContact SG-SG 3.65Å |
| 430 | L | 92.5 | Very high | 87.4 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 39% | 0.387 | 43% | 0.432 | S | S | . | . | | | trans | 52.9 | 9.3 | -166.4 | -62.7 | -177.9 | 0 | 0 | 0 | 115.5 | R425 C426 | R425-L430 WeakPolarHBondContact CG-O 3.3Å; R425-L430 PolarHBondContact NE-O 2.96Å; C426-L430 WeakPolarHBondContact O-CA 3.44Å; C426-L430 PolarHBondContact O-N 3.01Å |
| 431 | L | 93.6 | Very high | 89.5 | Confident | 75 Ų | 75 | 81 Ų | 81 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | | | trans | -74.8 | 138.6 | 176.1 | -169.1 | 74.9 | 0 | 0 | 0 | 110 | R425 C426 C429 N433 Q441 | R425-L431 WeakPolarHBondContact CA-O 3.34Å; C426-L431 PolarHBondContact N-O 3.23Å; C429-L431 HydrophobicContact CB-CB 4.09Å; C429-L431 PolarHBondContact O-N 2.96Å; C429-L431 WeakPolarHBondContact SG-CB 3.34Å; L431-N433 PolarHBondContact O-ND2 3.15Å; L431-N433 VanDerWaalsContact O-ND2 3.09Å; L431-Q441 HydrophobicContact CD2-CB 3.81Å; L431-Q441 HydrophobicContact CD2-CG 4.42Å |
| 432 | E | 94.8 | Very high | 91.5 | Very high | 146 Ų | 146 | 79 Ų | 79 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.3 | 171.5 | -65.4 | 177.1 | 175.1 | 0 | 0 | 109.8 | | |
| 433 | N | 93.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 74.7 Ų | 74.7 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 149.1 | 179.2 | -56.5 | -76.3 | 0 | 0 | 0 | 108.6 | T423 W424 L431 C440 Q441 | T423-N433 CarbonylContact C-O 3.46Å; T423-N433 WeakPolarHBondContact CA-O 3.19Å; T423-N433 WeakPolarHBondContact CB-O 3.35Å; W424-N433 HydrophobicContact CD2-CB 4.25Å; W424-N433 HydrophobicContact CG-CB 4.46Å; W424-N433 HydrophobicContact CZ2-CB 4.04Å; W424-N433 PolarHBondContact N-O 3.49Å; W424-N433 PolarHBondContact O-N 2.9Å; L431-N433 PolarHBondContact O-ND2 3.15Å; L431-N433 VanDerWaalsContact O-ND2 3.09Å; N433-C440 WeakPolarHBondContact OD1-CA 3.38Å; N433-Q441 PolarHBondContact OD1-N 3.26Å |
| 434 | S | 92.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 75.7 Ų | 75.7 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 146.3 | 169.8 | 52.4 | 0 | 0 | 0 | 0 | 111 | W424 K436 R437 | W424-S434 PolarHBondContact NE1-O 3.35Å; S434-K436 PolarHBondContact O-N 3.17Å; S434-K436 VanDerWaalsContact O-N 3.08Å; S434-R437 WeakPolarHBondContact O-CB 3.49Å; S434-R437 PolarHBondContact O-N 3.46Å |
| 435 | D | 89 | Confident | 92.6 | Very high | 56 Ų | 56 | 78.6 Ų | 78.6 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -10.7 | 177.2 | -79.8 | -18.2 | 0 | 0 | 0 | 114 | N422 T423 W424 R437 K447 | N422-D435 WeakPolarHBondContact CA-OD2 3.35Å; N422-D435 HydrophobicContact CB-CB 3.85Å; N422-D435 WeakPolarHBondContact CB-OD2 3.2Å; N422-D435 VanDerWaalsContact O-CB 3.25Å; N422-D435 WeakPolarHBondContact O-CB 3.47Å; N422-D435 PolarHBondContact O-N 3.18Å; T423-D435 PolarHBondContact N-OD2 2.86Å; W424-D435 WeakPolarHBondContact CB-OD1 3.34Å; W424-D435 PolarHBondContact N-OD1 3.48Å; D435-R437 PolarHBondContact O-N 3.38Å; D435-K447 VanDerWaalsContact CG-NZ 3.3Å; D435-K447 IonicContact OD1-NZ 2.66Å; D435-K447 PolarHBondContact OD1-NZ 3.1Å; D435-K447 IonicContact OD2-NZ 3.67Å |
| 436 | K | 88.7 | Confident | 92.5 | Very high | 202 Ų | 202 | 77.8 Ų | 77.8 | 88% | 0.878 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.4 | 167.2 | -60.6 | -172.6 | 179.2 | -174.4 | 0 | 113 | S434 | S434-K436 PolarHBondContact O-N 3.17Å; S434-K436 VanDerWaalsContact O-N 3.08Å |
| 437 | R | 87.4 | Confident | 92.2 | Very high | 109 Ų | 109 | 81.7 Ų | 81.7 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | | | trans | -101.6 | 123.1 | 179.8 | -73.1 | -176.4 | 162.7 | 176.2 | -14.7 | 111.1 | W424 S434 D435 A439 | W424-R437 PolarHBondContact NE1-O 3.14Å; S434-R437 WeakPolarHBondContact O-CB 3.49Å; S434-R437 PolarHBondContact O-N 3.46Å; D435-R437 PolarHBondContact O-N 3.38Å; R437-A439 VanDerWaalsContact C-N 3.29Å |
| 438 | V | 90.3 | Very high | 91.8 | Very high | 120 Ų | 120 | 77.4 Ų | 77.4 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -72.1 | -23.1 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | P446 K447 | V438-P446 CarbonylContact O-C 3.42Å; V438-P446 WeakPolarHBondContact O-CA 3.28Å; V438-K447 PolarHBondContact O-N 3.19Å |
| 439 | A | 92.8 | Very high | 90.8 | Very high | 38 Ų | 38 | 81.9 Ų | 81.9 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -132.9 | 153.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W424 R437 L445 | W424-A439 VanDerWaalsContact CZ2-C 3.47Å; R437-A439 VanDerWaalsContact C-N 3.29Å; A439-L445 CarbonylContact C-O 3.59Å; A439-L445 WeakPolarHBondContact CA-O 3.48Å |
| 440 | C | 95.8 | Very high | 89 | Confident | 3 Ų | 3 | 85.8 Ų | 85.8 | 2% | 0.02 | 47% | 0.47 | C | S | . | . | | | trans | -67.4 | 137.9 | 179.9 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | W424 C426 C429 N433 G442 C443 S444 L445 | W424-C440 HydrophobicContact CH2-CB 4.21Å; C426-C440 HydrophobicContact CB-CB 3.51Å; C429-C440 WeakPolarHBondContact CB-SG 3.09Å; C429-C440 WeakPolarHBondContact SG-CB 3.01Å; C429-C440 CovalentContact SG-SG 2.1Å; C429-C440 PolarHBondContact SG-SG 2.93Å; N433-C440 WeakPolarHBondContact OD1-CA 3.38Å; C440-G442 PolarHBondContact O-N 2.09Å; C440-G442 PolarHBondContact SG-N 2.96Å; C440-C443 HydrophobicContact CB-CB 4.06Å; C440-C443 WeakPolarHBondContact CB-SG 3.34Å; C440-C443 PolarHBondContact SG-N 3.01Å; C440-S444 VanDerWaalsContact O-CA 3.27Å; C440-S444 WeakPolarHBondContact O-CA 3.47Å; C440-S444 PolarHBondContact O-N 3.24Å; C440-L445 PolarHBondContact N-O 2.1Å |
| 441 | Q | 93.6 | Very high | 86.5 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.6 | 172.1 | 179 | 60.6 | 88.2 | 0 | 0 | 113.8 | L431 N433 | L431-Q441 HydrophobicContact CD2-CB 3.81Å; L431-Q441 HydrophobicContact CD2-CG 4.42Å; N433-Q441 PolarHBondContact OD1-N 3.26Å |
| 442 | G | 93.7 | Very high | 84 | Confident | 54 Ų | 54 | 96.5 Ų | 96.5 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -48.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | C440 | C440-G442 PolarHBondContact O-N 2.09Å; C440-G442 PolarHBondContact SG-N 2.96Å |
| 443 | C | 94.9 | Very high | 81.2 | Confident | 31 Ų | 31 | 94 Ų | 94 | 21% | 0.209 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -17 | -178.5 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | C426 C429 C440 L445 | C426-C443 WeakPolarHBondContact CB-SG 3.36Å; C426-C443 WeakPolarHBondContact SG-CB 3.4Å; C426-C443 CovalentContact SG-SG 2.09Å; C426-C443 PolarHBondContact SG-SG 3.47Å; C429-C443 HydrophobicContact CB-CB 3.65Å; C429-C443 VanDerWaalsContact SG-SG 3.65Å; C440-C443 HydrophobicContact CB-CB 4.06Å; C440-C443 WeakPolarHBondContact CB-SG 3.34Å; C440-C443 PolarHBondContact SG-N 3.01Å; C443-L445 HydrophobicContact CB-CB 4.39Å; C443-L445 HydrophobicContact CB-CD1 4.02Å; C443-L445 HydrophobicContact CB-CG 4.19Å; C443-L445 PolarHBondContact O-N 3.11Å; C443-L445 VanDerWaalsContact SG-CB 3.53Å |
| 444 | S | 91.2 | Very high | 78.8 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 69% | 0.685 | 56% | 0.559 | S | S | * | * | | | trans | 53 | 2.3 | -166.2 | -62.5 | 0 | 0 | 0 | 0 | 116 | C440 | C440-S444 VanDerWaalsContact O-CA 3.27Å; C440-S444 WeakPolarHBondContact O-CA 3.47Å; C440-S444 PolarHBondContact O-N 3.24Å |
| 445 | L | 92.5 | Very high | 76.2 | Confident | 80 Ų | 80 | 108.6 Ų | 108.6 | 42% | 0.419 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -76 | 147.5 | 175.1 | -60.7 | 162.3 | 0 | 0 | 0 | 110.7 | T428 A439 C440 C443 | T428-L445 HydrophobicContact CG2-CD1 3.9Å; T428-L445 WeakPolarHBondContact OG1-CD1 3.37Å; A439-L445 CarbonylContact C-O 3.59Å; A439-L445 WeakPolarHBondContact CA-O 3.48Å; C440-L445 PolarHBondContact N-O 2.1Å; C443-L445 HydrophobicContact CB-CB 4.39Å; C443-L445 HydrophobicContact CB-CD1 4.02Å; C443-L445 HydrophobicContact CB-CG 4.19Å; C443-L445 PolarHBondContact O-N 3.11Å; C443-L445 VanDerWaalsContact SG-CB 3.53Å |
| 446 | P | 92 | Very high | 73.9 | Confident | 91 Ų | 91 | 113.4 Ų | 113.4 | 59% | 0.591 | 61% | 0.608 | S | S | * | * | B | Isolated β-bridge | trans | -66.4 | 158.3 | 179.2 | 28.4 | -35.7 | 0 | 0 | 0 | 112.8 | V438 S448 | V438-P446 CarbonylContact O-C 3.42Å; V438-P446 WeakPolarHBondContact O-CA 3.28Å; P446-S448 PolarHBondContact O-N 3.12Å |
| 447 | K | 90 | Very high | 71.5 | Confident | 84 Ų | 84 | 114.2 Ų | 114.2 | 37% | 0.365 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 120.5 | 169.2 | -176.4 | 174.1 | -178.4 | 172.6 | 0 | 109.5 | W424 D435 V438 K449 | W424-K447 HydrophobicContact CB-CD 4Å; W424-K447 HydrophobicContact CB-CG 4.42Å; W424-K447 HydrophobicContact CD2-CB 3.87Å; W424-K447 HydrophobicContact CD2-CD 3.79Å; W424-K447 HydrophobicContact CD2-CG 3.64Å; W424-K447 HydrophobicContact CE3-CB 3.9Å; W424-K447 HydrophobicContact CE3-CD 4.39Å; W424-K447 HydrophobicContact CE3-CG 3.73Å; W424-K447 HydrophobicContact CG-CD 3.57Å; W424-K447 HydrophobicContact CG-CG 3.94Å; W424-K447 HydrophobicContact CH2-CB 3.85Å; W424-K447 HydrophobicContact CZ2-CB 3.83Å; W424-K447 VanDerWaalsContact CZ3-CA 3.47Å; W424-K447 HydrophobicContact CZ3-CB 3.87Å; W424-K447 HydrophobicContact CZ3-CG 4.2Å; D435-K447 VanDerWaalsContact CG-NZ 3.3Å; D435-K447 IonicContact OD1-NZ 2.66Å; D435-K447 PolarHBondContact OD1-NZ 3.1Å; D435-K447 IonicContact OD2-NZ 3.67Å; V438-K447 PolarHBondContact O-N 3.19Å; K447-K449 PolarHBondContact O-N 3.15Å |
| 448 | S | 82 | Confident | 69.3 | Low | 52 Ų | 52 | 118 Ų | 118 | 36% | 0.364 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 129.9 | 170.3 | 42 | 0 | 0 | 0 | 0 | 109.8 | E427 P446 | E427-S448 WeakPolarHBondContact OE1-CB 3.4Å; E427-S448 PolarHBondContact OE1-OG 2.99Å; P446-S448 PolarHBondContact O-N 3.12Å |
| 449 | K | 73 | Confident | 66.8 | Low | 193 Ų | 193 | 118.5 Ų | 118.5 | 84% | 0.839 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 125.3 | 169.8 | -76.2 | -177.9 | 178 | 177.9 | 0 | 108.1 | K447 Q451 | K447-K449 PolarHBondContact O-N 3.15Å; K449-Q451 PolarHBondContact O-N 3.44Å; K449-Q451 VanDerWaalsContact O-N 3.11Å |
| 450 | P | 55.4 | Low | 64.4 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 81% | 0.812 | 65% | 0.649 | S | S | * | * | | | trans | -70.3 | 106.1 | 167.9 | 28.9 | -31.5 | 0 | 0 | 0 | 108.6 | | |
| 451 | Q | 40.2 | Very low | 61.8 | Low | 188 Ų | 188 | 126.9 Ų | 126.9 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | | | trans | -80 | 123.8 | 160.8 | -75.9 | -173.4 | -59.7 | 0 | 0 | 107.9 | K449 | K449-Q451 PolarHBondContact O-N 3.44Å; K449-Q451 VanDerWaalsContact O-N 3.11Å |
| 452 | H | 40.4 | Very low | 59.4 | Low | 185 Ų | 185 | 125.6 Ų | 125.6 | 86% | 0.856 | 70% | 0.695 | S | S | * | * | | | trans | -58.5 | 141.8 | 175.9 | -105.6 | -108.9 | 0 | 0 | 0 | 110.7 | | |
| 453 | A | 36.2 | Very low | 57.2 | Low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | | | trans | -111.2 | 95.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 454 | E | 42.8 | Very low | 54.7 | Low | 179 Ų | 179 | 132.7 Ų | 132.7 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | | | trans | -172.2 | 159.1 | 156.5 | -109.2 | 170 | 170.4 | 0 | 0 | 108.8 | | |
| 455 | E | 38.9 | Very low | 52.4 | Low | 183 Ų | 183 | 132.8 Ų | 132.8 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | | | trans | 66 | 97.9 | -173.5 | -57 | -173.2 | 135.9 | 0 | 0 | 115.1 | | |
| 456 | L | 40.5 | Very low | 50.2 | Low | 157 Ų | 157 | 134.2 Ų | 134.2 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | | 71.1 | 120.3 | 66.8 | -63.4 | 176.3 | 0 | 0 | 0 | 115.5 | | |
| 457 | Y | 38.6 | Very low | 48 | Very low | 219 Ų | 219 | 137.7 Ų | 137.7 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | | | trans | 22.3 | 102.4 | 145.2 | -85.8 | -97.9 | 0 | 0 | 0 | 118.9 | | |
| 458 | F | 39.6 | Very low | 45.6 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | | -169.1 | 154.6 | 109 | -140.1 | -107.4 | 0 | 0 | 0 | 112.6 | | |
| 459 | V | 37.6 | Very low | 44 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -120.2 | 112.1 | 174.1 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 460 | S | 42.3 | Very low | 42.5 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 173.6 | 147.3 | 158.6 | -82.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 461 | S | 43.2 | Very low | 41.9 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | cis | -160.7 | 151.5 | -6.4 | 40.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 462 | A | 41.8 | Very low | 41.8 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -67.9 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 463 | P | 47.7 | Very low | 42.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | cis | -153.2 | -174 | 20 | 45.7 | -24 | 0 | 0 | 0 | 119.3 | | |
| 464 | T | 42.2 | Very low | 42.1 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | 69.2 | 111.3 | 149.5 | -46.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 465 | S | 43.1 | Very low | 42 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | | 178.6 | 132.8 | 93.3 | -144.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 466 | V | 47.1 | Very low | 42.4 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | trans | 16.6 | 121.2 | 155.1 | -55.6 | 0 | 0 | 0 | 0 | 123 | | |
| 467 | H | 46.4 | Very low | 42.5 | Very low | 164 Ų | 164 | 130 Ų | 130 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | | 160.7 | 104.3 | 113.1 | -87.1 | -62.8 | 0 | 0 | 0 | 110.3 | | |
| 468 | T | 38 | Very low | 42.7 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | | 75.3 | 138 | 96.1 | -35.2 | 0 | 0 | 0 | 0 | 115 | | |
| 469 | V | 49.1 | Very low | 43.3 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | | | trans | 93.9 | 95.8 | 165 | -164.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 470 | E | 42.3 | Very low | 43.6 | Very low | 174 Ų | 174 | 121.5 Ų | 121.5 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | 75.1 | 150.3 | 138 | -64.5 | 166.3 | -161.6 | 0 | 0 | 123.9 | | |
| 471 | T | 41.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | trans | 78.1 | 82.7 | 171.3 | -37 | 0 | 0 | 0 | 0 | 117.5 | V473 | T471-V473 HydrophobicContact CG2-CG2 4.31Å; T471-V473 PolarHBondContact O-N 3.11Å |
| 472 | S | 39.1 | Very low | 44 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | trans | -73.9 | 79.8 | 172.8 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 473 | V | 45.9 | Very low | 44.7 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | | | trans | -116.3 | 59.8 | 161.4 | -70.6 | 0 | 0 | 0 | 0 | 110.4 | T471 | T471-V473 HydrophobicContact CG2-CG2 4.31Å; T471-V473 PolarHBondContact O-N 3.11Å |
| 474 | S | 37.1 | Very low | 46 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | -132 | 92 | -178.2 | -73 | 0 | 0 | 0 | 0 | 111.1 | | |
| 475 | S | 40.2 | Very low | 48.2 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | -173.9 | 55.3 | 159.6 | -83.7 | 0 | 0 | 0 | 0 | 112.6 | S477 | S475-S477 PolarHBondContact O-N 3.41Š|
| 476 | L | 47.3 | Very low | 50.6 | Low | 177 Ų | 177 | 121.7 Ų | 121.7 | 93% | 0.927 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -88.8 | 33.2 | 162.3 | -84.6 | 168 | 0 | 0 | 0 | 111.5 | | |
| 477 | S | 42.9 | Very low | 52.8 | Low | 118 Ų | 118 | 121.3 Ų | 121.3 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | | | trans | -137.3 | 22.8 | -167.4 | -46 | 0 | 0 | 0 | 0 | 113.4 | S475 | S475-S477 PolarHBondContact O-N 3.41Š|
| 478 | A | 43 | Very low | 55.2 | Low | 62 Ų | 62 | 113.5 Ų | 113.5 | 51% | 0.512 | 66% | 0.655 | S | S | . | * | | | trans | -117.7 | -1.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N480 | A478-N480 PolarHBondContact O-N 3.48Å; A478-N480 VanDerWaalsContact O-N 3.11Å |
| 479 | I | 51.5 | Low | 57.8 | Low | 157 Ų | 157 | 112.5 Ų | 112.5 | 81% | 0.805 | 65% | 0.65 | S | S | * | * | | | trans | -87.8 | 39.3 | -177.8 | -39 | -177.1 | 0 | 0 | 0 | 111.7 | | |
| 480 | N | 43.8 | Very low | 59.9 | Low | 140 Ų | 140 | 111.9 Ų | 111.9 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | | | trans | -119.8 | 41.7 | 165 | -80.7 | 7 | 0 | 0 | 0 | 109.9 | A478 E482 | A478-N480 PolarHBondContact O-N 3.48Å; A478-N480 VanDerWaalsContact O-N 3.11Å; N480-E482 PolarHBondContact O-N 3.46Å |
| 481 | K | 45.2 | Very low | 62.5 | Low | 177 Ų | 177 | 105.1 Ų | 105.1 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | | | trans | -89.7 | 64.3 | 165.5 | -75.1 | -172.6 | 176.3 | 180 | 0 | 109.9 | A483 | K481-A483 PolarHBondContact O-N 3.46Š|
| 482 | E | 48.5 | Very low | 64.9 | Low | 176 Ų | 176 | 106.4 Ų | 106.4 | 82% | 0.822 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 45.2 | -179.1 | -72.8 | -82.9 | 149.3 | 0 | 0 | 114.3 | N480 | N480-E482 PolarHBondContact O-N 3.46Š|
| 483 | A | 57.1 | Low | 67.6 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 75% | 0.752 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154 | -13.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | K481 | K481-A483 PolarHBondContact O-N 3.46Š|
| 484 | S | 74.2 | Confident | 69.9 | Low | 63 Ų | 63 | 102.8 Ų | 102.8 | 44% | 0.441 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -139.8 | 32.5 | -164.5 | 72.8 | 0 | 0 | 0 | 0 | 116.9 | Q497 | S484-Q497 WeakPolarHBondContact O-CB 3.41Å; S484-Q497 PolarHBondContact O-N 3.08Å |
| 485 | Q | 89.1 | Confident | 72.6 | Confident | 119 Ų | 119 | 97.7 Ų | 97.7 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153.9 | 170.9 | -67.5 | -175.8 | -10.7 | 0 | 0 | 111 | N495 | Q485-N495 CarbonylContact C-O 3.44Å; Q485-N495 WeakPolarHBondContact CA-O 3.45Å; Q485-N495 VanDerWaalsContact CB-O 3.31Å; Q485-N495 WeakPolarHBondContact CB-O 3.43Å |
| 486 | W | 92.8 | Very high | 75.1 | Confident | 18 Ų | 18 | 99 Ų | 99 | 7% | 0.068 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.1 | 174 | 64.6 | -82.5 | 0 | 0 | 0 | 110.9 | C488 N495 E496 A499 C502 R509 | W486-C488 HydrophobicContact CE3-CB 4.16Å; W486-C488 HydrophobicContact CH2-CB 4.11Å; W486-C488 HydrophobicContact CZ3-CB 3.48Å; W486-C488 VanDerWaalsContact CZ3-CB 3.48Å; W486-N495 HydrophobicContact CD2-CB 4.15Å; W486-N495 HydrophobicContact CZ2-CB 3.75Å; W486-N495 PolarHBondContact N-O 3.04Å; W486-N495 PolarHBondContact O-N 3.38Å; W486-N495 PolarHBondContact O-ND2 3.27Å; W486-E496 PolarHBondContact NE1-O 3.28Å; W486-A499 WeakPolarHBondContact CZ2-O 3.5Å; W486-A499 PolarHBondContact NE1-O 3.34Å; W486-C502 HydrophobicContact CH2-CB 4.17Å; W486-R509 HydrophobicContact CD2-CB 4.11Å; W486-R509 HydrophobicContact CD2-CG 3.66Å; W486-R509 HydrophobicContact CE3-CB 4.34Å; W486-R509 HydrophobicContact CE3-CG 4.07Å; W486-R509 HydrophobicContact CG-CG 3.97Å; W486-R509 VanDerWaalsContact CH2-CA 3.47Å; W486-R509 HydrophobicContact CH2-CB 3.89Å; W486-R509 HydrophobicContact CH2-CG 4.49Å; W486-R509 HydrophobicContact CZ2-CB 3.61Å; W486-R509 HydrophobicContact CZ2-CG 4.12Å; W486-R509 HydrophobicContact CZ3-CB 4.23Å; W486-R509 HydrophobicContact CZ3-CG 4.45Å |
| 487 | E | 94.3 | Very high | 77 | Confident | 102 Ų | 102 | 93.9 Ų | 93.9 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.1 | 171.4 | -168.9 | -174 | 166.1 | 0 | 0 | 109.9 | F494 | E487-F494 HydrophobicContact CB-CD1 4.13Å; E487-F494 HydrophobicContact CB-CE1 3.94Å; E487-F494 HydrophobicContact CG-CE1 4.32Å; E487-F494 HydrophobicContact CG-CZ 4.45Å |
| 488 | C | 95.9 | Very high | 79 | Confident | 0 Ų | 0 | 95.1 Ų | 95.1 | 0% | 0 | 51% | 0.508 | C | S | . | . | | | trans | -87.4 | 131.1 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | W486 T490 C491 M492 V493 C502 | W486-C488 HydrophobicContact CE3-CB 4.16Å; W486-C488 HydrophobicContact CH2-CB 4.11Å; W486-C488 HydrophobicContact CZ3-CB 3.48Å; W486-C488 VanDerWaalsContact CZ3-CB 3.48Å; C488-T490 PolarHBondContact O-N 3.16Å; C488-T490 VanDerWaalsContact O-N 3.1Å; C488-T490 PolarHBondContact SG-N 3.03Å; C488-C491 WeakPolarHBondContact CB-SG 3.38Å; C488-C491 PolarHBondContact O-N 2.85Å; C488-C491 PolarHBondContact SG-SG 3.27Å; C488-M492 WeakPolarHBondContact O-CA 3.11Å; C488-M492 PolarHBondContact O-N 2.93Å; C488-V493 PolarHBondContact N-O 3Å; C488-V493 VanDerWaalsContact N-O 3.14Å; C488-C502 HydrophobicContact CB-CB 3.7Å; C488-C502 WeakPolarHBondContact SG-CB 3.47Å |
| 489 | P | 92.9 | Very high | 81.2 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.7 | -176.4 | 27.5 | -37 | 0 | 0 | 0 | 114.6 | T507 | P489-T507 HydrophobicContact CG-CG2 4.47Š|
| 490 | T | 93.7 | Very high | 83 | Confident | 97 Ų | 97 | 90.7 Ų | 90.7 | 60% | 0.595 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -40.6 | -179.9 | -48.5 | 0 | 0 | 0 | 0 | 112.8 | C488 T507 | C488-T490 PolarHBondContact O-N 3.16Å; C488-T490 VanDerWaalsContact O-N 3.1Å; C488-T490 PolarHBondContact SG-N 3.03Å; T490-T507 VanDerWaalsContact CB-OG1 3.3Å; T490-T507 WeakPolarHBondContact CB-OG1 3.33Å; T490-T507 WeakPolarHBondContact OG1-CG2 3.36Å; T490-T507 PolarHBondContact OG1-OG1 3.39Å |
| 491 | C | 95.7 | Very high | 85.3 | Confident | 33 Ų | 33 | 89.5 Ų | 89.5 | 22% | 0.223 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -12.8 | -171.7 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | C488 V493 C502 C505 | C488-C491 WeakPolarHBondContact CB-SG 3.38Å; C488-C491 PolarHBondContact O-N 2.85Å; C488-C491 PolarHBondContact SG-SG 3.27Å; C491-V493 HydrophobicContact CB-CB 4.47Å; C491-V493 HydrophobicContact CB-CG2 4.16Å; C491-V493 PolarHBondContact O-N 2.87Å; C491-C502 WeakPolarHBondContact CB-SG 3.32Å; C491-C502 WeakPolarHBondContact SG-CB 3.41Å; C491-C502 CovalentContact SG-SG 2.08Å; C491-C502 PolarHBondContact SG-SG 3.43Å; C491-C505 HydrophobicContact CB-CB 3.85Å; C491-C505 WeakPolarHBondContact CB-SG 3.12Å; C491-C505 VanDerWaalsContact SG-SG 3.65Å |
| 492 | M | 92.7 | Very high | 87.8 | Confident | 143 Ų | 143 | 81.2 Ų | 81.2 | 70% | 0.704 | 44% | 0.438 | S | S | * | . | | | trans | 53.4 | 14.6 | -169.8 | -65.6 | 174.2 | 173 | 0 | 0 | 114.5 | C488 | C488-M492 WeakPolarHBondContact O-CA 3.11Å; C488-M492 PolarHBondContact O-N 2.93Å |
| 493 | V | 94.9 | Very high | 89.9 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 29% | 0.291 | 43% | 0.433 | S | S | . | . | | | trans | -86.8 | 132.6 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 109 | C488 C491 N495 I503 C504 | C488-V493 PolarHBondContact N-O 3Å; C488-V493 VanDerWaalsContact N-O 3.14Å; C491-V493 HydrophobicContact CB-CB 4.47Å; C491-V493 HydrophobicContact CB-CG2 4.16Å; C491-V493 PolarHBondContact O-N 2.87Å; V493-N495 PolarHBondContact O-ND2 3.46Å; V493-I503 HydrophobicContact CG1-CG2 4.22Å; V493-C504 HydrophobicContact CG2-CB 4.07Å |
| 494 | F | 95.2 | Very high | 91.7 | Very high | 126 Ų | 126 | 79.3 Ų | 79.3 | 55% | 0.553 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124.7 | 170.5 | -65.4 | -84 | 0 | 0 | 0 | 110.4 | E487 | E487-F494 HydrophobicContact CB-CD1 4.13Å; E487-F494 HydrophobicContact CB-CE1 3.94Å; E487-F494 HydrophobicContact CG-CE1 4.32Å; E487-F494 HydrophobicContact CG-CZ 4.45Å |
| 495 | N | 93.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 78.5 Ų | 78.5 | 3% | 0.027 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.1 | 179.6 | -50.1 | -83.5 | 0 | 0 | 0 | 109.6 | Q485 W486 V493 A499 C502 I503 | Q485-N495 CarbonylContact C-O 3.44Å; Q485-N495 WeakPolarHBondContact CA-O 3.45Å; Q485-N495 VanDerWaalsContact CB-O 3.31Å; Q485-N495 WeakPolarHBondContact CB-O 3.43Å; W486-N495 HydrophobicContact CD2-CB 4.15Å; W486-N495 HydrophobicContact CZ2-CB 3.75Å; W486-N495 PolarHBondContact N-O 3.04Å; W486-N495 PolarHBondContact O-N 3.38Å; W486-N495 PolarHBondContact O-ND2 3.27Å; V493-N495 PolarHBondContact O-ND2 3.46Å; N495-A499 HydrophobicContact CB-CB 4.23Å; N495-C502 VanDerWaalsContact OD1-CA 3.29Å; N495-C502 WeakPolarHBondContact OD1-CA 3.32Å; N495-I503 PolarHBondContact OD1-N 2.97Å |
| 496 | E | 92.5 | Very high | 92.9 | Very high | 131 Ų | 131 | 80 Ų | 80 | 61% | 0.612 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 147.2 | 175.9 | -59.2 | -172.1 | 163.4 | 0 | 0 | 112.3 | W486 N498 A499 | W486-E496 PolarHBondContact NE1-O 3.28Å; E496-N498 PolarHBondContact O-N 3.34Å; E496-A499 VanDerWaalsContact O-CB 3.31Å; E496-A499 WeakPolarHBondContact O-CB 3.45Å; E496-A499 PolarHBondContact O-N 3.42Å |
| 497 | Q | 87.3 | Confident | 92.9 | Very high | 69 Ų | 69 | 81 Ų | 81 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.7 | 178.6 | -164 | 71.6 | -42.3 | 0 | 0 | 113.6 | S484 R509 | S484-Q497 WeakPolarHBondContact O-CB 3.41Å; S484-Q497 PolarHBondContact O-N 3.08Å; Q497-R509 PolarHBondContact O-NH1 3.25Å |
| 498 | N | 85.7 | Confident | 92.7 | Very high | 144 Ų | 144 | 81.8 Ų | 81.8 | 77% | 0.77 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.6 | 178.5 | -63.8 | -16.4 | 0 | 0 | 0 | 113.4 | E496 T500 | E496-N498 PolarHBondContact O-N 3.34Å; N498-T500 PolarHBondContact O-N 2.8Å |
| 499 | A | 87.7 | Confident | 92.4 | Very high | 29 Ų | 29 | 85.7 Ų | 85.7 | 24% | 0.24 | 46% | 0.456 | C | S | . | . | | | trans | -73.6 | 120.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W486 N495 E496 K501 | W486-A499 WeakPolarHBondContact CZ2-O 3.5Å; W486-A499 PolarHBondContact NE1-O 3.34Å; N495-A499 HydrophobicContact CB-CB 4.23Å; E496-A499 VanDerWaalsContact O-CB 3.31Å; E496-A499 WeakPolarHBondContact O-CB 3.45Å; E496-A499 PolarHBondContact O-N 3.42Å; A499-K501 VanDerWaalsContact C-N 3.29Å |
| 500 | T | 89.6 | Confident | 92 | Very high | 98 Ų | 98 | 85 Ų | 85 | 60% | 0.601 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -81.6 | -6.3 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | N498 L508 R509 | N498-T500 PolarHBondContact O-N 2.8Å; T500-L508 CarbonylContact O-C 3.46Å; T500-L508 WeakPolarHBondContact O-CA 3.21Å; T500-R509 PolarHBondContact O-N 2.85Å |
| 501 | K | 93.1 | Very high | 90.9 | Very high | 115 Ų | 115 | 84.9 Ų | 84.9 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -144.7 | 147.4 | -175.7 | -64.3 | 175.4 | -176.1 | 179.3 | 0 | 110.4 | A499 I503 T507 L508 | A499-K501 VanDerWaalsContact C-N 3.29Å; K501-I503 PolarHBondContact O-N 3.48Å; K501-T507 CarbonylContact C-O 3.53Å; K501-T507 VanDerWaalsContact CA-O 3.3Å; K501-T507 WeakPolarHBondContact CA-O 3.41Å; K501-L508 HydrophobicContact CG-CD2 3.97Å |
| 502 | C | 96.1 | Very high | 89 | Confident | 2 Ų | 2 | 91.1 Ų | 91.1 | 1% | 0.014 | 48% | 0.481 | C | S | . | . | | | trans | -63.2 | 131.3 | 173.7 | 163.2 | 0 | 0 | 0 | 0 | 109.4 | W486 C488 C491 N495 C504 C505 Q506 T507 | W486-C502 HydrophobicContact CH2-CB 4.17Å; C488-C502 HydrophobicContact CB-CB 3.7Å; C488-C502 WeakPolarHBondContact SG-CB 3.47Å; C491-C502 WeakPolarHBondContact CB-SG 3.32Å; C491-C502 WeakPolarHBondContact SG-CB 3.41Å; C491-C502 CovalentContact SG-SG 2.08Å; C491-C502 PolarHBondContact SG-SG 3.43Å; N495-C502 VanDerWaalsContact OD1-CA 3.29Å; N495-C502 WeakPolarHBondContact OD1-CA 3.32Å; C502-C504 PolarHBondContact O-N 3.01Å; C502-C504 PolarHBondContact SG-N 3.37Å; C502-C505 VanDerWaalsContact CB-SG 3.57Å; C502-C505 PolarHBondContact SG-N 2.84Å; C502-C505 PolarHBondContact SG-SG 3.14Å; C502-Q506 WeakPolarHBondContact O-CA 3.3Å; C502-Q506 PolarHBondContact O-N 3.27Å; C502-T507 PolarHBondContact N-O 2.96Å |
| 503 | I | 94.2 | Very high | 86.9 | Confident | 141 Ų | 141 | 89.3 Ų | 89.3 | 72% | 0.723 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29.3 | -178.5 | -163.7 | 163.9 | 0 | 0 | 0 | 112.2 | V493 N495 K501 | V493-I503 HydrophobicContact CG1-CG2 4.22Å; N495-I503 PolarHBondContact OD1-N 2.97Å; K501-I503 PolarHBondContact O-N 3.48Å |
| 504 | C | 94.7 | Very high | 84.5 | Confident | 86 Ų | 86 | 90.4 Ų | 90.4 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -34.8 | -179.7 | -62.4 | 0 | 0 | 0 | 0 | 115.1 | V493 C502 | V493-C504 HydrophobicContact CG2-CB 4.07Å; C502-C504 PolarHBondContact O-N 3.01Å; C502-C504 PolarHBondContact SG-N 3.37Å |
| 505 | C | 95.9 | Very high | 82.6 | Confident | 47 Ų | 47 | 91.3 Ų | 91.3 | 32% | 0.318 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 1.8 | -174.8 | 78.1 | 0 | 0 | 0 | 0 | 115.2 | C491 C502 T507 | C491-C505 HydrophobicContact CB-CB 3.85Å; C491-C505 WeakPolarHBondContact CB-SG 3.12Å; C491-C505 VanDerWaalsContact SG-SG 3.65Å; C502-C505 VanDerWaalsContact CB-SG 3.57Å; C502-C505 PolarHBondContact SG-N 2.84Å; C502-C505 PolarHBondContact SG-SG 3.14Å; C505-T507 PolarHBondContact O-N 3.35Å; C505-T507 VanDerWaalsContact SG-CB 3.52Å; C505-T507 PolarHBondContact SG-OG1 2.94Å |
| 506 | Q | 92.5 | Very high | 81.2 | Confident | 149 Ų | 149 | 92.2 Ų | 92.2 | 70% | 0.696 | 51% | 0.506 | S | S | * | . | | | trans | 60.1 | 3.4 | 179.9 | -50.4 | -178.6 | 16.2 | 0 | 0 | 116.4 | C502 L508 | C502-Q506 WeakPolarHBondContact O-CA 3.3Å; C502-Q506 PolarHBondContact O-N 3.27Å; Q506-L508 PolarHBondContact O-N 3.48Å |
| 507 | T | 92.5 | Very high | 80.7 | Confident | 40 Ų | 40 | 88.6 Ų | 88.6 | 25% | 0.245 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 130.2 | 172.7 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | P489 T490 K501 C502 C505 | P489-T507 HydrophobicContact CG-CG2 4.47Å; T490-T507 VanDerWaalsContact CB-OG1 3.3Å; T490-T507 WeakPolarHBondContact CB-OG1 3.33Å; T490-T507 WeakPolarHBondContact OG1-CG2 3.36Å; T490-T507 PolarHBondContact OG1-OG1 3.39Å; K501-T507 CarbonylContact C-O 3.53Å; K501-T507 VanDerWaalsContact CA-O 3.3Å; K501-T507 WeakPolarHBondContact CA-O 3.41Å; C502-T507 PolarHBondContact N-O 2.96Å; C505-T507 PolarHBondContact O-N 3.35Å; C505-T507 VanDerWaalsContact SG-CB 3.52Å; C505-T507 PolarHBondContact SG-OG1 2.94Å |
| 508 | L | 90.3 | Very high | 80.7 | Confident | 119 Ų | 119 | 86.3 Ų | 86.3 | 62% | 0.623 | 48% | 0.481 | S | S | * | . | B | Isolated β-bridge | trans | -57.2 | 143.1 | 179.3 | -70.7 | 165.4 | 0 | 0 | 0 | 111.4 | T500 K501 Q506 | T500-L508 CarbonylContact O-C 3.46Å; T500-L508 WeakPolarHBondContact O-CA 3.21Å; K501-L508 HydrophobicContact CG-CD2 3.97Å; Q506-L508 PolarHBondContact O-N 3.48Å |
| 509 | R | 90 | Very high | 81 | Confident | 82 Ų | 82 | 86.4 Ų | 86.4 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 130.2 | 168.9 | -179.1 | 173.7 | 178.6 | -153 | -12.4 | 108.4 | W486 Q497 T500 T511 | W486-R509 HydrophobicContact CD2-CB 4.11Å; W486-R509 HydrophobicContact CD2-CG 3.66Å; W486-R509 HydrophobicContact CE3-CB 4.34Å; W486-R509 HydrophobicContact CE3-CG 4.07Å; W486-R509 HydrophobicContact CG-CG 3.97Å; W486-R509 VanDerWaalsContact CH2-CA 3.47Å; W486-R509 HydrophobicContact CH2-CB 3.89Å; W486-R509 HydrophobicContact CH2-CG 4.49Å; W486-R509 HydrophobicContact CZ2-CB 3.61Å; W486-R509 HydrophobicContact CZ2-CG 4.12Å; W486-R509 HydrophobicContact CZ3-CB 4.23Å; W486-R509 HydrophobicContact CZ3-CG 4.45Å; Q497-R509 PolarHBondContact O-NH1 3.25Å; T500-R509 PolarHBondContact O-N 2.85Å; R509-T511 VanDerWaalsContact C-N 3.27Å; R509-T511 PolarHBondContact O-N 2.91Å |
| 510 | P | 84 | Confident | 81.2 | Confident | 80 Ų | 80 | 85.1 Ų | 85.1 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | | | trans | -63.6 | 95.5 | 169 | 26.4 | -31.8 | 0 | 0 | 0 | 107.6 | | |
| 511 | T | 71.2 | Confident | 81.2 | Confident | 96 Ų | 96 | 84.6 Ų | 84.6 | 59% | 0.589 | 46% | 0.46 | S | S | * | . | | | trans | -64.3 | 150.2 | 175.6 | 50.3 | 0 | 0 | 0 | 0 | 108.6 | R509 I513 | R509-T511 VanDerWaalsContact C-N 3.27Å; R509-T511 PolarHBondContact O-N 2.91Å; T511-I513 PolarHBondContact O-N 3.02Å |
| 512 | N | 54.4 | Low | 81.1 | Confident | 163 Ų | 163 | 83.9 Ų | 83.9 | 87% | 0.872 | 47% | 0.465 | S | S | * | . | | | trans | -73 | 70.5 | -177.7 | -167.1 | -9.9 | 0 | 0 | 0 | 110.5 | S514 | N512-S514 VanDerWaalsContact C-N 3.25Å; N512-S514 PolarHBondContact O-N 2.81Å |
| 513 | I | 49 | Very low | 81 | Confident | 106 Ų | 106 | 85.2 Ų | 85.2 | 54% | 0.544 | 47% | 0.474 | S | S | . | . | | | trans | -74 | 86.8 | 173.3 | -57.5 | 175.1 | 0 | 0 | 0 | 106.9 | T511 T515 V517 | T511-I513 PolarHBondContact O-N 3.02Å; I513-T515 PolarHBondContact O-N 2.82Å; I513-V517 HydrophobicContact CG2-CG2 4.34Å |
| 514 | S | 45.9 | Very low | 80.8 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 49% | 0.49 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -14 | 93.1 | 160.3 | 42.6 | 0 | 0 | 0 | 0 | 115 | N512 S516 | N512-S514 VanDerWaalsContact C-N 3.25Å; N512-S514 PolarHBondContact O-N 2.81Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 WeakPolarHBondContact O-CB 3.4Å; S514-S516 PolarHBondContact O-N 3.48Å; S514-S516 PolarHBondContact O-OG 3.34Å |
| 515 | T | 54 | Low | 80.6 | Confident | 146 Ų | 146 | 83.7 Ų | 83.7 | 90% | 0.896 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 32.3 | 138.1 | 61.4 | 0 | 0 | 0 | 0 | 117.6 | I513 | I513-T515 PolarHBondContact O-N 2.82Š|
| 516 | S | 64.9 | Low | 80.4 | Confident | 24 Ų | 24 | 86.6 Ų | 86.6 | 17% | 0.168 | 47% | 0.471 | C | S | . | . | | | trans | -146.7 | 6.3 | -173.6 | 56.7 | 0 | 0 | 0 | 0 | 116.9 | S514 K529 | S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 WeakPolarHBondContact O-CB 3.4Å; S514-S516 PolarHBondContact O-N 3.48Å; S514-S516 PolarHBondContact O-OG 3.34Å; S516-K529 PolarHBondContact O-N 3.37Å; S516-K529 WeakPolarHBondContact OG-CE 3.39Å |
| 517 | V | 81.6 | Confident | 80.2 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 33% | 0.333 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.1 | 171 | 177.6 | 0 | 0 | 0 | 0 | 110 | I513 E526 N527 | I513-V517 HydrophobicContact CG2-CG2 4.34Å; V517-E526 HydrophobicContact CG1-CG 3.25Å; V517-E526 WeakPolarHBondContact CG1-OE1 3.25Å; V517-N527 WeakPolarHBondContact CA-O 3.48Å |
| 518 | W | 88.6 | Confident | 79.8 | Confident | 20 Ų | 20 | 83.6 Ų | 83.6 | 8% | 0.076 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 146 | 175.4 | 69.5 | -77.8 | 0 | 0 | 0 | 112.6 | C520 N527 S530 C533 T538 K540 | W518-C520 HydrophobicContact CZ3-CB 4.2Å; W518-N527 HydrophobicContact CD2-CB 4.23Å; W518-N527 HydrophobicContact CG-CB 4.41Å; W518-N527 HydrophobicContact CZ2-CB 3.98Å; W518-N527 PolarHBondContact N-O 3.36Å; W518-N527 WeakPolarHBondContact O-CB 3.45Å; W518-N527 PolarHBondContact O-N 3.13Å; W518-N527 PolarHBondContact O-ND2 3.42Å; W518-S530 PolarHBondContact NE1-O 3.22Å; W518-C533 HydrophobicContact CH2-CB 4.01Å; W518-C533 HydrophobicContact CZ2-CB 4.4Å; W518-T538 WeakPolarHBondContact CH2-O 3.35Å; W518-K540 HydrophobicContact CD2-CB 4.03Å; W518-K540 HydrophobicContact CD2-CD 4.19Å; W518-K540 HydrophobicContact CD2-CG 3.71Å; W518-K540 HydrophobicContact CE3-CB 4.24Å; W518-K540 HydrophobicContact CE3-CG 4.05Å; W518-K540 HydrophobicContact CG-CD 3.99Å; W518-K540 HydrophobicContact CG-CG 3.95Å; W518-K540 HydrophobicContact CH2-CB 4.08Å; W518-K540 HydrophobicContact CZ2-CB 3.83Å; W518-K540 HydrophobicContact CZ2-CG 4.44Å; W518-K540 HydrophobicContact CZ3-CB 4.24Å |
| 519 | Y | 90.5 | Very high | 79.2 | Confident | 147 Ų | 147 | 85.6 Ų | 85.6 | 58% | 0.576 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.9 | 178 | -60.9 | -80.4 | 0 | 0 | 0 | 111 | E526 | Y519-E526 HydrophobicContact CD1-CB 4.18Å; Y519-E526 HydrophobicContact CE1-CB 3.86Å; Y519-E526 HydrophobicContact CE1-CG 4.07Å |
| 520 | C | 91.4 | Very high | 78.6 | Confident | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.007 | 46% | 0.461 | C | S | . | . | | | trans | -67.8 | 132 | 172.6 | -179 | 0 | 0 | 0 | 0 | 110.1 | W518 T522 C523 L524 V525 C533 C536 T538 | W518-C520 HydrophobicContact CZ3-CB 4.2Å; C520-T522 PolarHBondContact O-N 2.97Å; C520-T522 VanDerWaalsContact O-N 3.14Å; C520-T522 WeakPolarHBondContact SG-CB 3.31Å; C520-T522 PolarHBondContact SG-N 2.88Å; C520-C523 HydrophobicContact CB-CB 3.88Å; C520-C523 WeakPolarHBondContact CB-SG 3.42Å; C520-C523 PolarHBondContact SG-N 2.81Å; C520-L524 VanDerWaalsContact O-CA 3.31Å; C520-L524 WeakPolarHBondContact O-CA 3.46Å; C520-L524 PolarHBondContact O-N 3.14Å; C520-V525 PolarHBondContact N-O 2.8Å; C520-C533 HydrophobicContact CB-CB 3.64Å; C520-C536 WeakPolarHBondContact CB-SG 3.46Å; C520-C536 WeakPolarHBondContact SG-CB 3.37Å; C520-C536 CovalentContact SG-SG 2.09Å; C520-C536 PolarHBondContact SG-SG 2.78Å; C520-T538 WeakPolarHBondContact SG-CB 3.23Å; C520-T538 PolarHBondContact SG-OG1 3.2Å |
| 521 | P | 90.4 | Very high | 78.7 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.7 | 171.7 | 26.9 | -34.1 | 0 | 0 | 0 | 112.8 | T538 P541 | P521-T538 HydrophobicContact CG-CG2 4.4Å; P521-P541 HydrophobicContact CG-CG 4.46Å |
| 522 | T | 91.6 | Very high | 79.5 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 61% | 0.607 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -43.5 | 179 | -31 | 0 | 0 | 0 | 0 | 114.1 | C520 C536 T538 | C520-T522 PolarHBondContact O-N 2.97Å; C520-T522 VanDerWaalsContact O-N 3.14Å; C520-T522 WeakPolarHBondContact SG-CB 3.31Å; C520-T522 PolarHBondContact SG-N 2.88Å; T522-C536 HydrophobicContact CG2-CB 4.36Å; T522-T538 WeakPolarHBondContact CB-OG1 3.38Å; T522-T538 PolarHBondContact OG1-OG1 3.03Å |
| 523 | C | 93.7 | Very high | 81.4 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -20.3 | -175.8 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | C520 V525 C533 C535 C536 | C520-C523 HydrophobicContact CB-CB 3.88Å; C520-C523 WeakPolarHBondContact CB-SG 3.42Å; C520-C523 PolarHBondContact SG-N 2.81Å; C523-V525 HydrophobicContact CB-CB 4.38Å; C523-V525 HydrophobicContact CB-CG2 4.02Å; C523-V525 PolarHBondContact O-N 3.09Å; C523-V525 WeakPolarHBondContact SG-CB 3.3Å; C523-V525 PolarHBondContact SG-N 3.26Å; C523-V525 VanDerWaalsContact SG-N 3.37Å; C523-C533 WeakPolarHBondContact CB-SG 3.3Å; C523-C533 WeakPolarHBondContact SG-CB 3.43Å; C523-C533 CovalentContact SG-SG 2.1Å; C523-C533 PolarHBondContact SG-SG 3.36Å; C523-C535 HydrophobicContact CB-CB 4.03Å; C523-C536 HydrophobicContact CB-CB 3.6Å; C523-C536 VanDerWaalsContact CB-SG 3.54Å; C523-C536 PolarHBondContact SG-SG 3.05Å |
| 524 | L | 89.9 | Confident | 83.4 | Confident | 139 Ų | 139 | 78.6 Ų | 78.6 | 73% | 0.728 | 43% | 0.428 | S | S | * | . | | | trans | 51.4 | 2.5 | -164 | -64.9 | 176.5 | 0 | 0 | 0 | 115.7 | C520 | C520-L524 VanDerWaalsContact O-CA 3.31Å; C520-L524 WeakPolarHBondContact O-CA 3.46Å; C520-L524 PolarHBondContact O-N 3.14Å |
| 525 | V | 91 | Very high | 85.6 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 34% | 0.339 | 43% | 0.433 | S | S | . | . | | | trans | -71.6 | 139.9 | 174.2 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | C520 C523 N527 C535 | C520-V525 PolarHBondContact N-O 2.8Å; C523-V525 HydrophobicContact CB-CB 4.38Å; C523-V525 HydrophobicContact CB-CG2 4.02Å; C523-V525 PolarHBondContact O-N 3.09Å; C523-V525 WeakPolarHBondContact SG-CB 3.3Å; C523-V525 PolarHBondContact SG-N 3.26Å; C523-V525 VanDerWaalsContact SG-N 3.37Å; V525-N527 PolarHBondContact O-ND2 3.25Å; V525-C535 HydrophobicContact CG2-CB 4.13Å |
| 526 | E | 91 | Very high | 87.5 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 124.2 | 173.7 | -170.6 | -179.8 | 143.2 | 0 | 0 | 110.7 | V517 Y519 | V517-E526 HydrophobicContact CG1-CG 3.25Å; V517-E526 WeakPolarHBondContact CG1-OE1 3.25Å; Y519-E526 HydrophobicContact CD1-CB 4.18Å; Y519-E526 HydrophobicContact CE1-CB 3.86Å; Y519-E526 HydrophobicContact CE1-CG 4.07Å |
| 527 | N | 89.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.2 | -178.6 | -57.4 | -76.5 | 0 | 0 | 0 | 110.4 | V517 W518 V525 C533 C534 | V517-N527 WeakPolarHBondContact CA-O 3.48Å; W518-N527 HydrophobicContact CD2-CB 4.23Å; W518-N527 HydrophobicContact CG-CB 4.41Å; W518-N527 HydrophobicContact CZ2-CB 3.98Å; W518-N527 PolarHBondContact N-O 3.36Å; W518-N527 WeakPolarHBondContact O-CB 3.45Å; W518-N527 PolarHBondContact O-N 3.13Å; W518-N527 PolarHBondContact O-ND2 3.42Å; V525-N527 PolarHBondContact O-ND2 3.25Å; N527-C533 VanDerWaalsContact ND2-CB 3.32Å; N527-C533 WeakPolarHBondContact ND2-CB 3.14Å; N527-C533 WeakPolarHBondContact OD1-CA 3.29Å; N527-C533 WeakPolarHBondContact OD1-CB 3.2Å; N527-C534 PolarHBondContact OD1-N 2.92Å; N527-C534 PolarHBondContact OD1-SG 2.9Å; N527-C534 VanDerWaalsContact OD1-SG 3.37Å |
| 528 | N | 83.5 | Confident | 89 | Confident | 127 Ų | 127 | 76.6 Ų | 76.6 | 68% | 0.679 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 107.8 | 180 | 50.7 | -14.7 | 0 | 0 | 0 | 110.3 | S530 | N528-S530 PolarHBondContact O-N 3.39Å |
| 529 | K | 76.5 | Confident | 89 | Confident | 160 Ų | 160 | 80.1 Ų | 80.1 | 70% | 0.696 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 62.3 | -0.1 | 172.6 | -64.6 | 173.3 | -179.6 | -177.1 | 0 | 117.6 | S516 | S516-K529 PolarHBondContact O-N 3.37Å; S516-K529 WeakPolarHBondContact OG-CE 3.39Å |
| 530 | S | 79.3 | Confident | 89 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | | | trans | -86.2 | 141.5 | 174.9 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | W518 N528 K532 | W518-S530 PolarHBondContact NE1-O 3.22Å; N528-S530 PolarHBondContact O-N 3.39Å; S530-K532 WeakPolarHBondContact CB-O 2.98Å; S530-K532 PolarHBondContact O-N 3.16Å; S530-K532 PolarHBondContact OG-O 2.84Å |
| 531 | D | 84.1 | Confident | 88.4 | Confident | 114 Ų | 114 | 80.2 Ų | 80.2 | 61% | 0.61 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -76.2 | -7.9 | 176 | -62.7 | -49.9 | 0 | 0 | 0 | 113.7 | V539 K540 | D531-V539 CarbonylContact O-C 3.57Å; D531-V539 WeakPolarHBondContact O-CA 3.42Å; D531-K540 PolarHBondContact O-N 2.96Å |
| 532 | K | 89.9 | Confident | 87.4 | Confident | 129 Ų | 129 | 83 Ų | 83 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | B | Isolated β-bridge | trans | -132.5 | 144 | 178.2 | -55.7 | -175.2 | -176.2 | -173.6 | 0 | 109.3 | S530 T538 | S530-K532 WeakPolarHBondContact CB-O 2.98Å; S530-K532 PolarHBondContact O-N 3.16Å; S530-K532 PolarHBondContact OG-O 2.84Å; K532-T538 CarbonylContact C-O 3.58Å; K532-T538 WeakPolarHBondContact CA-O 3.39Å |
| 533 | C | 93.5 | Very high | 86 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.02 | 45% | 0.454 | C | S | . | . | | | trans | -70.1 | 139.9 | 176.8 | 154.3 | 0 | 0 | 0 | 0 | 111.5 | W518 C520 C523 N527 C535 C536 S537 T538 | W518-C533 HydrophobicContact CH2-CB 4.01Å; W518-C533 HydrophobicContact CZ2-CB 4.4Å; C520-C533 HydrophobicContact CB-CB 3.64Å; C523-C533 WeakPolarHBondContact CB-SG 3.3Å; C523-C533 WeakPolarHBondContact SG-CB 3.43Å; C523-C533 CovalentContact SG-SG 2.1Å; C523-C533 PolarHBondContact SG-SG 3.36Å; N527-C533 VanDerWaalsContact ND2-CB 3.32Å; N527-C533 WeakPolarHBondContact ND2-CB 3.14Å; N527-C533 WeakPolarHBondContact OD1-CA 3.29Å; N527-C533 WeakPolarHBondContact OD1-CB 3.2Å; C533-C535 PolarHBondContact O-N 3.38Å; C533-C535 VanDerWaalsContact O-N 3.12Å; C533-C535 PolarHBondContact SG-N 2.99Å; C533-C536 WeakPolarHBondContact CB-SG 3.48Å; C533-C536 PolarHBondContact SG-N 3.42Å; C533-C536 PolarHBondContact SG-SG 2.98Å; C533-S537 VanDerWaalsContact O-CA 3.3Å; C533-S537 WeakPolarHBondContact O-CA 3.35Å; C533-S537 PolarHBondContact O-N 3.29Å; C533-T538 PolarHBondContact N-O 2.98Å |
| 534 | C | 92 | Very high | 83.9 | Confident | 94 Ų | 94 | 88.1 Ų | 88.1 | 64% | 0.635 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.2 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | N527 | N527-C534 PolarHBondContact OD1-N 2.92Å; N527-C534 PolarHBondContact OD1-SG 2.9Å; N527-C534 VanDerWaalsContact OD1-SG 3.37Å |
| 535 | C | 91.6 | Very high | 81.6 | Confident | 88 Ų | 88 | 87.3 Ų | 87.3 | 60% | 0.595 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | -51.4 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 115 | C523 V525 C533 | C523-C535 HydrophobicContact CB-CB 4.03Å; V525-C535 HydrophobicContact CG2-CB 4.13Å; C533-C535 PolarHBondContact O-N 3.38Å; C533-C535 VanDerWaalsContact O-N 3.12Å; C533-C535 PolarHBondContact SG-N 2.99Å |
| 536 | C | 93.5 | Very high | 79.2 | Confident | 36 Ų | 36 | 94.2 Ų | 94.2 | 24% | 0.243 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.9 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | C520 T522 C523 C533 T538 | C520-C536 WeakPolarHBondContact CB-SG 3.46Å; C520-C536 WeakPolarHBondContact SG-CB 3.37Å; C520-C536 CovalentContact SG-SG 2.09Å; C520-C536 PolarHBondContact SG-SG 2.78Å; T522-C536 HydrophobicContact CG2-CB 4.36Å; C523-C536 HydrophobicContact CB-CB 3.6Å; C523-C536 VanDerWaalsContact CB-SG 3.54Å; C523-C536 PolarHBondContact SG-SG 3.05Å; C533-C536 WeakPolarHBondContact CB-SG 3.48Å; C533-C536 PolarHBondContact SG-N 3.42Å; C533-C536 PolarHBondContact SG-SG 2.98Å; C536-T538 WeakPolarHBondContact CB-OG1 3.29Å; C536-T538 PolarHBondContact O-N 3.16Å; C536-T538 WeakPolarHBondContact SG-CB 3.39Å; C536-T538 PolarHBondContact SG-OG1 3.14Å |
| 537 | S | 87.9 | Confident | 76.5 | Confident | 85 Ų | 85 | 94.6 Ų | 94.6 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | | | trans | 55.6 | 0.9 | -163.4 | -63 | 0 | 0 | 0 | 0 | 116.2 | C533 V539 | C533-S537 VanDerWaalsContact O-CA 3.3Å; C533-S537 WeakPolarHBondContact O-CA 3.35Å; C533-S537 PolarHBondContact O-N 3.29Å; S537-V539 PolarHBondContact O-N 3.45Å |
| 538 | T | 89.6 | Confident | 74.5 | Confident | 44 Ų | 44 | 102 Ų | 102 | 27% | 0.27 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 137.8 | 172.8 | -49 | 0 | 0 | 0 | 0 | 110.1 | W518 C520 P521 T522 K532 C533 C536 | W518-T538 WeakPolarHBondContact CH2-O 3.35Å; C520-T538 WeakPolarHBondContact SG-CB 3.23Å; C520-T538 PolarHBondContact SG-OG1 3.2Å; P521-T538 HydrophobicContact CG-CG2 4.4Å; T522-T538 WeakPolarHBondContact CB-OG1 3.38Å; T522-T538 PolarHBondContact OG1-OG1 3.03Å; K532-T538 CarbonylContact C-O 3.58Å; K532-T538 WeakPolarHBondContact CA-O 3.39Å; C533-T538 PolarHBondContact N-O 2.98Å; C536-T538 WeakPolarHBondContact CB-OG1 3.29Å; C536-T538 PolarHBondContact O-N 3.16Å; C536-T538 WeakPolarHBondContact SG-CB 3.39Å; C536-T538 PolarHBondContact SG-OG1 3.14Å |
| 539 | V | 89.5 | Confident | 72.1 | Confident | 93 Ų | 93 | 102.1 Ų | 102.1 | 56% | 0.564 | 57% | 0.565 | S | S | * | * | B | Isolated β-bridge | trans | -69.8 | 146.7 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | D531 S537 P541 | D531-V539 CarbonylContact O-C 3.57Å; D531-V539 WeakPolarHBondContact O-CA 3.42Å; S537-V539 PolarHBondContact O-N 3.45Å; V539-P541 WeakPolarHBondContact O-CD 3.34Å |
| 540 | K | 89.3 | Confident | 70.3 | Confident | 63 Ų | 63 | 101.1 Ų | 101.1 | 27% | 0.274 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 118.9 | 173.8 | -177.2 | 175.8 | -178.1 | 179.3 | 0 | 110.5 | W518 D531 N542 G543 | W518-K540 HydrophobicContact CD2-CB 4.03Å; W518-K540 HydrophobicContact CD2-CD 4.19Å; W518-K540 HydrophobicContact CD2-CG 3.71Å; W518-K540 HydrophobicContact CE3-CB 4.24Å; W518-K540 HydrophobicContact CE3-CG 4.05Å; W518-K540 HydrophobicContact CG-CD 3.99Å; W518-K540 HydrophobicContact CG-CG 3.95Å; W518-K540 HydrophobicContact CH2-CB 4.08Å; W518-K540 HydrophobicContact CZ2-CB 3.83Å; W518-K540 HydrophobicContact CZ2-CG 4.44Å; W518-K540 HydrophobicContact CZ3-CB 4.24Å; D531-K540 PolarHBondContact O-N 2.96Å; K540-N542 PolarHBondContact O-N 3.38Å; K540-N542 VanDerWaalsContact O-N 3.1Å; K540-G543 PolarHBondContact O-N 2.82Å |
| 541 | P | 79.4 | Confident | 68.3 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 57% | 0.571 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -20.6 | -169.7 | 23.4 | -33.6 | 0 | 0 | 0 | 114.6 | P521 V539 | P521-P541 HydrophobicContact CG-CG 4.46Å; V539-P541 WeakPolarHBondContact O-CD 3.34Å |
| 542 | N | 69 | Low | 66 | Low | 145 Ų | 145 | 105.9 Ų | 105.9 | 78% | 0.775 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 29 | 175.8 | -70 | 68 | 0 | 0 | 0 | 112.6 | K540 K544 | K540-N542 PolarHBondContact O-N 3.38Å; K540-N542 VanDerWaalsContact O-N 3.1Å; N542-K544 PolarHBondContact O-N 3.31Å |
| 543 | G | 63.2 | Low | 63.6 | Low | 38 Ų | 38 | 107.3 Ų | 107.3 | 39% | 0.392 | 61% | 0.607 | S | S | . | * | | | trans | -65.8 | 124.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K540 | K540-G543 PolarHBondContact O-N 2.82Š|
| 544 | K | 49.6 | Very low | 61 | Low | 200 Ų | 200 | 112 Ų | 112 | 87% | 0.87 | 64% | 0.639 | S | S | * | * | | | trans | -57.5 | 135.2 | 168.9 | -70.4 | -177.7 | 178.2 | -178.6 | 0 | 108.2 | N542 Y546 | N542-K544 PolarHBondContact O-N 3.31Å; K544-Y546 PolarHBondContact O-N 3.25Å |
| 545 | P | 41.8 | Very low | 58.5 | Low | 123 Ų | 123 | 112.5 Ų | 112.5 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | | | trans | -62.9 | 114 | 179 | 25.5 | -33.2 | 0 | 0 | 0 | 109.4 | S547 | P545-S547 PolarHBondContact O-N 3.04Š|
| 546 | Y | 40.5 | Very low | 55.9 | Low | 201 Ų | 201 | 116.6 Ų | 116.6 | 79% | 0.788 | 66% | 0.659 | S | S | * | * | | | trans | -67.4 | 119.3 | 171.6 | -133.9 | -89.6 | 0 | 0 | 0 | 107.6 | K544 H548 | K544-Y546 PolarHBondContact O-N 3.25Å; Y546-H548 VanDerWaalsContact C-N 3.35Å; Y546-H548 PolarHBondContact O-N 2.69Å |
| 547 | S | 33.2 | Very low | 53.2 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | | | trans | -69.6 | 92.6 | 177.7 | -68.8 | 0 | 0 | 0 | 0 | 109.6 | P545 | P545-S547 PolarHBondContact O-N 3.04Š|
| 548 | H | 47.2 | Very low | 51 | Low | 155 Ų | 155 | 124.7 Ų | 124.7 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | | | trans | -83.3 | 117 | 161.5 | -78.9 | -74.9 | 0 | 0 | 0 | 108.8 | Y546 I550 | Y546-H548 VanDerWaalsContact C-N 3.35Å; Y546-H548 PolarHBondContact O-N 2.69Å; H548-I550 PolarHBondContact O-N 3.36Å |
| 549 | T | 32.6 | Very low | 48.3 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | | | trans | -54.7 | 109 | 178.7 | -50.7 | 0 | 0 | 0 | 0 | 110.9 | T551 | T549-T551 PolarHBondContact O-N 3.17Š|
| 550 | I | 40.8 | Very low | 45.9 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | trans | -70.1 | 111.7 | 170.8 | -62.1 | 174.2 | 0 | 0 | 0 | 107.5 | H548 N552 | H548-I550 PolarHBondContact O-N 3.36Å; I550-N552 PolarHBondContact O-N 2.95Å |
| 551 | T | 36.8 | Very low | 43.6 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -84.9 | 108.7 | 161.4 | -54.2 | 0 | 0 | 0 | 0 | 106.7 | T549 | T549-T551 PolarHBondContact O-N 3.17Š|
| 552 | N | 35.2 | Very low | 42 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | | | trans | -62.2 | 148 | -177.7 | -69.2 | -48.1 | 0 | 0 | 0 | 111.8 | I550 | I550-N552 PolarHBondContact O-N 2.95Š|
| 553 | N | 39.5 | Very low | 40.5 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | | -149.8 | 120.2 | 127.3 | -91.5 | -29.2 | 0 | 0 | 0 | 109.4 | | |
| 554 | S | 39.4 | Very low | 39.5 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -1.3 | 133.3 | 156.2 | 54.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 555 | S | 38.5 | Very low | 39.2 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | cis | -164.1 | 145.7 | 39.3 | -41.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 556 | L | 37.8 | Very low | 39.4 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | | | | -165.2 | 158.9 | 60.5 | -107.5 | 132.8 | 0 | 0 | 0 | 109.8 | | |
| 557 | S | 37.1 | Very low | 39.7 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -99.3 | 164.1 | -164.6 | 58.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 558 | K | 40.6 | Very low | 40.6 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | 77.4 | 135.4 | 174.9 | -61.8 | 172.6 | 175.4 | 174.7 | 0 | 113.4 | | |
| 559 | L | 34 | Very low | 40.2 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | | | cis | -137.1 | 168.7 | 29.5 | -152.2 | 66.7 | 0 | 0 | 0 | 113.2 | | |
| 560 | A | 39.4 | Very low | 40.6 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -82.3 | 139.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 561 | S | 40.3 | Very low | 40.7 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 20.7 | 113.6 | 145.3 | 58.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 562 | Q | 45.1 | Very low | 40.8 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -153 | 153.4 | 136 | -79.1 | -149.2 | -11.5 | 0 | 0 | 110.4 | | |
| 563 | P | 38.2 | Very low | 41.3 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -83.4 | 115.9 | -178.2 | 32.3 | -32.5 | 0 | 0 | 0 | 112 | G565 | P563-G565 PolarHBondContact O-N 3.01Š|
| 564 | L | 43 | Very low | 41.4 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | | | trans | -89.3 | 100.6 | 176.3 | -120.4 | 70.6 | 0 | 0 | 0 | 111.1 | | |
| 565 | G | 41.8 | Very low | 41.4 | Very low | 66 Ų | 66 | 138.7 Ų | 138.7 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | trans | -172.3 | 17.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P563 | P563-G565 PolarHBondContact O-N 3.01Š|
| 566 | H | 47.1 | Very low | 41.5 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | | | trans | -96.4 | 109.8 | 175.2 | -174.1 | 68.7 | 0 | 0 | 0 | 109.8 | Q568 | H566-Q568 PolarHBondContact O-N 3.12Š|
| 567 | F | 46.5 | Very low | 41.7 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | | | trans | -82.2 | 103.6 | 170.2 | 48 | -86.7 | 0 | 0 | 0 | 108.8 | | |
| 568 | Q | 51.2 | Low | 41.5 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | | | trans | -104.3 | 123.9 | 175.4 | -159.2 | 168.6 | 2.7 | 0 | 0 | 109.8 | H566 G570 | H566-Q568 PolarHBondContact O-N 3.12Å; Q568-G570 VanDerWaalsContact C-N 3.34Å; Q568-G570 PolarHBondContact O-N 3.27Å |
| 569 | F | 40.4 | Very low | 41.5 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | -71.9 | 90.1 | 171.3 | -73.5 | -81.4 | 0 | 0 | 0 | 109.7 | F571 | F569-F571 VanDerWaalsContact C-N 3.28Å; F569-F571 HydrophobicContact CB-CD2 4.33Å; F569-F571 HydrophobicContact CB-CE2 4.45Å; F569-F571 HydrophobicContact CD1-CE2 4.46Å; F569-F571 PolarHBondContact O-N 2.83Å |
| 570 | G | 39.6 | Very low | 41.7 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -76.7 | 62.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q568 G572 | Q568-G570 VanDerWaalsContact C-N 3.34Å; Q568-G570 PolarHBondContact O-N 3.27Å; G570-G572 PolarHBondContact O-N 3.16Å |
| 571 | F | 42.8 | Very low | 41.7 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -77.4 | 69.9 | 164.3 | -69 | -74.8 | 0 | 0 | 0 | 110.1 | F569 | F569-F571 VanDerWaalsContact C-N 3.28Å; F569-F571 HydrophobicContact CB-CD2 4.33Å; F569-F571 HydrophobicContact CB-CE2 4.45Å; F569-F571 HydrophobicContact CD1-CE2 4.46Å; F569-F571 PolarHBondContact O-N 2.83Å |
| 572 | G | 38.6 | Very low | 41.4 | Very low | 69 Ų | 69 | 145.1 Ų | 145.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -111.1 | 89.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G570 R574 | G570-G572 PolarHBondContact O-N 3.16Å; G572-R574 PolarHBondContact O-N 3.04Å; G572-R574 VanDerWaalsContact O-N 3.16Å |
| 573 | V | 45.7 | Very low | 41.1 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | -70.6 | 106.6 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | G575 | V573-G575 PolarHBondContact O-N 3.03Š|
| 574 | R | 42.9 | Very low | 40.9 | Very low | 245 Ų | 245 | 142.1 Ų | 142.1 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -85.7 | 88 | 174 | -162.9 | 174.6 | -143.4 | -176.1 | 6.2 | 110.6 | G572 | G572-R574 PolarHBondContact O-N 3.04Å; G572-R574 VanDerWaalsContact O-N 3.16Å |
| 575 | G | 38.1 | Very low | 40.6 | Very low | 42 Ų | 42 | 142.9 Ų | 142.9 | 43% | 0.433 | 77% | 0.768 | S | S | . | * | | | trans | -65.2 | 149.4 | 166 | 0 | 0 | 0 | 0 | 0 | 111.7 | V573 | V573-G575 PolarHBondContact O-N 3.03Š|
| 576 | P | 42.2 | Very low | 40.6 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | trans | -84.2 | 116.6 | 178.2 | 32.5 | -31.4 | 0 | 0 | 0 | 110.9 | | |
| 577 | N | 40.4 | Very low | 39.9 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | | | trans | -97 | 106.8 | 171.9 | -70.1 | 3.6 | 0 | 0 | 0 | 109.4 | | |
| 578 | N | 33.9 | Very low | 39.5 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -74.3 | 138 | 171.8 | -62.6 | -29.8 | 0 | 0 | 0 | 110.5 | | |
| 579 | S | 40.4 | Very low | 38.8 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | -160.2 | 120.2 | 147.6 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 580 | E | 38.3 | Very low | 38.6 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | 54.6 | 99 | 143.6 | -65.6 | 162.4 | -147.7 | 0 | 0 | 120.7 | | |
| 581 | K | 40.2 | Very low | 38.8 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | | -148 | 125.5 | 105.4 | -163.4 | 167.7 | -178.3 | -179.8 | 0 | 111.2 | | |
| 582 | L | 32.2 | Very low | 38.6 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -117.1 | 114.8 | -179.2 | -95.7 | 165.4 | 0 | 0 | 0 | 109.9 | | |
| 583 | E | 39.5 | Very low | 38.6 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -148.9 | 116 | 150.4 | -65.5 | -169.3 | 154.4 | 0 | 0 | 104.8 | | |
| 584 | A | 34.6 | Very low | 38.4 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | | | cis | 84.1 | 140.8 | 47.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 585 | F | 37 | Very low | 38.3 | Very low | 200 Ų | 200 | 134.3 Ų | 134.3 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | | | trans | 70.8 | 146.3 | 177.7 | -43.8 | -72.3 | 0 | 0 | 0 | 116.5 | | |
| 586 | A | 40.4 | Very low | 38.4 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | | | cis | -161.2 | 162.5 | -24.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 587 | S | 32.8 | Very low | 38.5 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | -77.6 | 161.8 | 177.8 | -49.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 588 | N | 37.9 | Very low | 38.5 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | 117.4 | 118.2 | 144.8 | -58.1 | -25.1 | 0 | 0 | 0 | 118.6 | | |
| 589 | N | 37.2 | Very low | 38.8 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | | 69.3 | 118.5 | 127.5 | -63.3 | -14 | 0 | 0 | 0 | 124.3 | | |
| 590 | V | 36.3 | Very low | 38.8 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | | 53.6 | 115.7 | 120.5 | -163.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 591 | H | 43.1 | Very low | 39.4 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | | -178.7 | 151.3 | 104 | -115.6 | -77.5 | 0 | 0 | 0 | 113.8 | | |
| 592 | D | 38 | Very low | 39.2 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | | | trans | 63.2 | 122 | 151 | -62.8 | -27.6 | 0 | 0 | 0 | 121.8 | | |
| 593 | S | 39.9 | Very low | 39.4 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | | | | 85.9 | 138.9 | 67.7 | -55.9 | 0 | 0 | 0 | 0 | 111 | | |
| 594 | E | 40.6 | Very low | 39.4 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | cis | -161.1 | 172.9 | 4.6 | -148.4 | 168.3 | 139.5 | 0 | 0 | 110.5 | | |
| 595 | Q | 40.9 | Very low | 39.7 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | | | trans | 84 | 102.5 | 142.2 | -123.7 | 143.6 | 19.8 | 0 | 0 | 124.8 | | |
| 596 | D | 40.8 | Very low | 39.8 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | | | | 84.5 | 148.4 | 119.4 | -78.9 | -30.7 | 0 | 0 | 0 | 128 | | |
| 597 | D | 44.4 | Very low | 39.7 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | | | trans | 83.5 | 84.2 | 153.3 | -76.2 | -33.7 | 0 | 0 | 0 | 124.8 | | |
| 598 | K | 41 | Very low | 40.3 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 78% | 0.778 | 72% | 0.716 | S | S | * | * | | | | 57.3 | 124.2 | 105.5 | -80.3 | -168.1 | 172.5 | 167.4 | 0 | 124.1 | | |
| 599 | V | 39 | Very low | 40.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | | 86.1 | 102.1 | 120.1 | 175.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 600 | H | 40.8 | Very low | 40.8 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | | | trans | 65.1 | 154.9 | 130.4 | -106.2 | -114.6 | 0 | 0 | 0 | 123 | | |
| 601 | P | 50.2 | Low | 41 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 58% | 0.578 | 72% | 0.717 | S | S | * | * | | | trans | -108 | 165.9 | -172.7 | 41 | -31.1 | 0 | 0 | 0 | 114.1 | | |
| 602 | N | 37.2 | Very low | 40.8 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | | | | 169.1 | 145.1 | 121.6 | -88.8 | -35.2 | 0 | 0 | 0 | 113.6 | | |
| 603 | K | 37 | Very low | 40.9 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 74% | 0.735 | 73% | 0.725 | S | S | * | * | | | trans | 70.3 | 142.2 | 145 | -83.3 | 175.7 | 150.9 | -133.9 | 0 | 122.2 | | |
| 604 | E | 39.1 | Very low | 40.7 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | | | trans | 86.6 | 108.3 | 136.6 | -82.8 | 164.9 | -141.1 | 0 | 0 | 121 | | |
| 605 | T | 39.7 | Very low | 40.8 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 64% | 0.638 | 73% | 0.727 | S | S | * | * | | | | 122.4 | 115.9 | 110.4 | -68.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 606 | E | 39.2 | Very low | 40.7 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | | | trans | 83.1 | 141.7 | 141.8 | -81.7 | 164.8 | -161.6 | 0 | 0 | 127.1 | | |
| 607 | S | 39.6 | Very low | 40.4 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | trans | 75.7 | 140.5 | 155.3 | 77.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 608 | S | 43.8 | Very low | 40 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | cis | -159.6 | 153.7 | 0.6 | 30.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 609 | D | 44 | Very low | 39.6 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | trans | 62.5 | 140 | 140.8 | -75.3 | -40.8 | 0 | 0 | 0 | 124.2 | | |
| 610 | T | 43 | Very low | 39.5 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | | | cis | -162.1 | 162 | -20.1 | -23.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 611 | F | 38.8 | Very low | 39.4 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | | | trans | 59.9 | 147.3 | 163.5 | -71.6 | -84.6 | 0 | 0 | 0 | 120.4 | | |
| 612 | S | 39.1 | Very low | 38.7 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | cis | -177.8 | 147.8 | -30.4 | -107.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 613 | K | 41.2 | Very low | 38.5 | Very low | 204 Ų | 204 | 140.2 Ų | 140.2 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | | | trans | 57.8 | 125.6 | 161 | -70.4 | 175.9 | 174.5 | 174.1 | 0 | 118 | | |
| 614 | S | 35.5 | Very low | 38.5 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | | -156.5 | 153.3 | 61.1 | -163.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 615 | P | 42.6 | Very low | 38.2 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | | | trans | -120.2 | 159.5 | -165.3 | 42.6 | -31.3 | 0 | 0 | 0 | 116 | | |
| 616 | Q | 38.8 | Very low | 38 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 54.8 | 159.4 | 135.4 | -72.8 | -159.5 | 25.9 | 0 | 0 | 121 | | |
| 617 | K | 34 | Very low | 38 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | | | cis | 172.1 | 133.9 | -16.2 | 169.6 | -177.2 | -178.9 | -178.9 | 0 | 105.9 | | |
| 618 | K | 35.6 | Very low | 37.8 | Very low | 206 Ų | 206 | 137.8 Ų | 137.8 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | | | trans | -175 | 133.5 | 141.8 | -107 | 161.9 | -174.5 | -177.5 | 0 | 113.9 | | |
| 619 | Q | 33.7 | Very low | 37.4 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -70.3 | 171 | 157.8 | -61.8 | 137.7 | -49.3 | 0 | 0 | 108.2 | | |
| 620 | S | 37.7 | Very low | 37 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | | | cis | -163.3 | 174.3 | 34.4 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 621 | E | 36.9 | Very low | 36.5 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | 69.1 | 150.1 | 159.6 | -68.2 | 146.9 | -123.5 | 0 | 0 | 119.6 | | |
| 622 | S | 35.6 | Very low | 36.4 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | cis | -165.9 | 162.5 | -29.5 | 60.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 623 | L | 33.4 | Very low | 36.3 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | 75.3 | 115.3 | 155.7 | -69.2 | 157.3 | 0 | 0 | 0 | 122 | | |
| 624 | A | 36.7 | Very low | 36.2 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | 88 | 85.8 | 130.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 625 | C | 33.2 | Very low | 36 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 96% | 0.959 | 77% | 0.77 | S | S | * | * | | | | 54.9 | 118.9 | 124.7 | -158.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 626 | G | 36.4 | Very low | 35.8 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | trans | 161 | 85.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 627 | D | 38.6 | Very low | 35.4 | Very low | 174 Ų | 174 | 144 Ų | 144 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | trans | -67.6 | 154.4 | -170.6 | -91.6 | -45.6 | 0 | 0 | 0 | 115.6 | | |
| 628 | F | 35.6 | Very low | 35.4 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -79.9 | 129.8 | -162.4 | -98.9 | -122.5 | 0 | 0 | 0 | 115.5 | | |
| 629 | I | 35.6 | Very low | 35.1 | Very low | 108 Ų | 108 | 142 Ų | 142 | 55% | 0.554 | 77% | 0.773 | S | S | * | * | | | | 41.4 | 111.6 | 125.1 | -48 | -174.7 | 0 | 0 | 0 | 118.2 | Q631 | I629-Q631 HydrophobicContact CG2-CG 3.75Š|
| 630 | L | 34.7 | Very low | 35 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | | | | -123.9 | 139.4 | 127.4 | -85.3 | 178 | 0 | 0 | 0 | 110.3 | | |
| 631 | Q | 33.6 | Very low | 34.8 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | -92.8 | -170.2 | -173.6 | -69.8 | 160.9 | -84.8 | 0 | 0 | 112.3 | I629 | I629-Q631 HydrophobicContact CG2-CG 3.75Š|
| 632 | T | 36.3 | Very low | 34.5 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | 80.7 | 105 | -179.7 | 74 | 0 | 0 | 0 | 0 | 112.3 | | |
| 633 | N | 37.7 | Very low | 34.4 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | cis | 65.1 | 131.6 | 31.5 | -71.5 | -17.3 | 0 | 0 | 0 | 116.3 | | |
| 634 | H | 37.8 | Very low | 34.3 | Very low | 180 Ų | 180 | 142.3 Ų | 142.3 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | | | trans | 82.5 | 104.4 | 164.2 | -89.4 | -79.5 | 0 | 0 | 0 | 121.6 | | |
| 635 | M | 32.4 | Very low | 34.1 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 133.7 | 154.1 | 174.1 | -176.4 | 72.7 | 0 | 0 | 111.5 | Q637 | M635-Q637 HydrophobicContact CE-CG 3.94Š|
| 636 | P | 37.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 121.8 | 166.5 | 32.3 | -29.4 | 0 | 0 | 0 | 111.5 | | |
| 637 | Q | 30.4 | Very low | 34.2 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 129.3 | 162.6 | -88.2 | -98.6 | 6.4 | 0 | 0 | 108.2 | M635 | M635-Q637 HydrophobicContact CE-CG 3.94Š|
| 638 | L | 33.8 | Very low | 34 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | trans | 177.4 | 106.5 | 163 | -94.3 | 145 | 0 | 0 | 0 | 106.3 | | |
| 639 | K | 29.9 | Very low | 34.3 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 65% | 0.648 | 74% | 0.736 | S | S | * | * | | | | 68 | 101.4 | 61 | -150.7 | -170.8 | -179.8 | -172.2 | 0 | 111.1 | | |
| 640 | W | 30.4 | Very low | 34.3 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | | | | 169.5 | 177.4 | 90.8 | -86.7 | 103.4 | 0 | 0 | 0 | 108 | | |
| 641 | P | 34.5 | Very low | 34.7 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | cis | -125.4 | 171.1 | -13.6 | 35.1 | -17.5 | 0 | 0 | 0 | 114.7 | | |
| 642 | S | 31.4 | Very low | 34.9 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | -85.4 | 179.2 | 158.3 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 643 | Q | 33.3 | Very low | 35.1 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | trans | 97.1 | 140.1 | 178.2 | -55.2 | -122.5 | -7.8 | 0 | 0 | 114.8 | | |
| 644 | L | 31.1 | Very low | 35.1 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | | | cis | -160.7 | -178.8 | -25.4 | -142.2 | 113.6 | 0 | 0 | 0 | 107.7 | | |
| 645 | D | 33 | Very low | 34.8 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | 71.4 | 147.5 | 159.2 | -68.8 | -50.4 | 0 | 0 | 0 | 121.1 | | |
| 646 | S | 33.3 | Very low | 35 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | | | cis | -171.6 | 157.3 | -28.9 | -110.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 647 | T | 36.9 | Very low | 34.8 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | | | trans | 68.9 | 125.8 | 149.6 | 53 | 0 | 0 | 0 | 0 | 123.8 | | |
| 648 | N | 35.3 | Very low | 35.4 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | | | trans | 72.3 | 143.1 | 132.7 | -62.9 | -9.3 | 0 | 0 | 0 | 120.4 | | |
| 649 | S | 40.7 | Very low | 35.4 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | cis | -164.8 | 152.3 | -2.9 | 44.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 650 | N | 37.5 | Very low | 35.7 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | trans | 32 | 134 | 149.7 | -66.5 | -23 | 0 | 0 | 0 | 121.8 | | |
| 651 | I | 42.1 | Very low | 35.8 | Very low | 165 Ų | 165 | 131 Ų | 131 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | | | | -168.2 | 136.4 | 97.9 | -90.6 | 154.4 | 0 | 0 | 0 | 110.1 | | |
| 652 | D | 37.8 | Very low | 35.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | | | trans | -69.7 | 162.4 | 174.2 | -72.4 | -80 | 0 | 0 | 0 | 113.6 | | |
| 653 | F | 40.2 | Very low | 35.9 | Very low | 204 Ų | 204 | 132.6 Ų | 132.6 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | | | | -166.6 | 148.5 | 106.2 | -109.6 | -78 | 0 | 0 | 0 | 113.1 | | |
| 654 | K | 37.2 | Very low | 36 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | | | trans | -89.8 | 139.9 | -169 | -72.3 | 165.4 | 172.5 | 166.6 | 0 | 113.7 | | |
| 655 | G | 32 | Very low | 36 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | | 79.7 | 137.8 | 116.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 656 | I | 36.3 | Very low | 36.2 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | | | trans | 165.1 | 116.4 | 130.7 | -84.1 | 156.8 | 0 | 0 | 0 | 107.4 | | |
| 657 | E | 33.7 | Very low | 36.3 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -78.6 | 157.5 | 155.6 | -70.7 | -161.1 | 150.5 | 0 | 0 | 108.8 | | |
| 658 | P | 43.4 | Very low | 36.4 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | | -143.8 | 159.2 | 98.9 | 36.7 | -22.1 | 0 | 0 | 0 | 115.2 | | |
| 659 | S | 32.6 | Very low | 36.2 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | | | trans | -82.2 | -177.7 | 167.6 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 660 | T | 36.3 | Very low | 36 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | trans | 80.8 | 119.4 | 160.6 | 46.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 661 | T | 33.4 | Very low | 35.8 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 62.1 | 127.5 | 136.9 | 62.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 662 | T | 35.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | | -173.2 | 153.4 | 57.2 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 663 | S | 31.6 | Very low | 35.3 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -78.3 | 128.9 | 171.2 | 137.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 664 | V | 36.6 | Very low | 35.3 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | trans | -137.6 | 129.2 | 148 | -178.3 | 0 | 0 | 0 | 0 | 110 | | |
| 665 | R | 31.2 | Very low | 35.2 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -90.7 | 128.3 | 173.4 | 175.3 | -169.9 | -166.2 | 173 | 5.1 | 108.9 | | |
| 666 | S | 37.4 | Very low | 35.5 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -149 | 141.2 | 152.6 | -162.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 667 | S | 34.7 | Very low | 35.7 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -94.4 | 141.9 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 668 | L | 38.3 | Very low | 35.6 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -161.3 | 117.2 | 142 | -163.1 | 58.9 | 0 | 0 | 0 | 110.5 | | |
| 669 | E | 31.7 | Very low | 35.3 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -77.4 | 134.5 | 157.9 | -67.1 | -176.9 | 119.6 | 0 | 0 | 108.9 | | |
| 670 | Q | 37.7 | Very low | 35.3 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -154.1 | 124.1 | 147.8 | -119.9 | 166.2 | 31.7 | 0 | 0 | 112.1 | | |
| 671 | T | 31.4 | Very low | 35.1 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | trans | -72.1 | 133.6 | 175.6 | -37.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 672 | Q | 38.4 | Very low | 35.1 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -158.1 | 129.5 | 145.5 | -118.5 | 160 | 85.8 | 0 | 0 | 112.5 | | |
| 673 | L | 32.5 | Very low | 35 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -71.7 | 140.4 | 169 | -68.5 | 157 | 0 | 0 | 0 | 109.2 | | |
| 674 | L | 38.9 | Very low | 35 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -158.9 | 145.4 | 146.2 | -107.9 | 164.8 | 0 | 0 | 0 | 110.4 | | |
| 675 | N | 35.6 | Very low | 35 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -74.6 | 154 | -172.9 | -51 | -58.9 | 0 | 0 | 0 | 111.9 | | |
| 676 | S | 37.5 | Very low | 35.4 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | | 173.9 | 151.5 | 126.3 | -170.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 677 | T | 41.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | 51.9 | 99.9 | 151.9 | 40.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 678 | G | 32.7 | Very low | 35.8 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -73.4 | 171.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 679 | F | 36 | Very low | 35.5 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | trans | -128.3 | 123.5 | 163.7 | -102.7 | -94.1 | 0 | 0 | 0 | 109 | F681 | F679-F681 HydrophobicContact CD1-CE2 4.14Š|
| 680 | K | 32.4 | Very low | 35.7 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -89.7 | 129 | 163.9 | -85.6 | -178.6 | 173.2 | 178.2 | 0 | 108.1 | | |
| 681 | F | 33 | Very low | 35.4 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | trans | -108.3 | 107.2 | 159 | -89.2 | -83.8 | 0 | 0 | 0 | 109 | F679 F683 | F679-F681 HydrophobicContact CD1-CE2 4.14Å; F681-F683 HydrophobicContact CB-CE2 4.29Å; F681-F683 HydrophobicContact CD1-CE2 4.24Å; F681-F683 HydrophobicContact CD1-CZ 4.31Å |
| 682 | T | 31.7 | Very low | 35.7 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | -95.9 | 117.8 | 168.5 | 46.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 683 | F | 34.6 | Very low | 35.2 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | | | trans | -101.3 | 116.3 | 165.5 | -73.7 | -80.8 | 0 | 0 | 0 | 109 | F681 | F681-F683 HydrophobicContact CB-CE2 4.29Å; F681-F683 HydrophobicContact CD1-CE2 4.24Å; F681-F683 HydrophobicContact CD1-CZ 4.31Å |
| 684 | T | 31.1 | Very low | 35.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | trans | -134.7 | 107.2 | 172.1 | 49.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 685 | T | 36.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -141.2 | 96.5 | 173.1 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 686 | T | 40.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | 48.6 | 123.4 | 146.4 | 61.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 687 | N | 36.3 | Very low | 34.9 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -56.1 | 151.6 | 163.5 | -51.6 | -54 | 0 | 0 | 0 | 113.2 | | |
| 688 | N | 43 | Very low | 34.6 | Very low | 170 Ų | 170 | 139 Ų | 139 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -131.5 | 130.1 | 146 | -95.3 | -37.1 | 0 | 0 | 0 | 109 | | |
| 689 | L | 33.2 | Very low | 34.7 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -97 | 175.3 | 177.8 | -86.2 | 155.2 | 0 | 0 | 0 | 110.4 | | |
| 690 | V | 34.4 | Very low | 34.8 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | 77.7 | 133.4 | 169.7 | -164.6 | 0 | 0 | 0 | 0 | 112 | | |
| 691 | S | 32.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | cis | -152.8 | 139.2 | 26.4 | -144 | 0 | 0 | 0 | 0 | 115.1 | | |
| 692 | V | 36.3 | Very low | 35.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | | 48.3 | 120.2 | 129.3 | -178.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 693 | N | 27.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -69.1 | 143.1 | 156.3 | -80.2 | -35.1 | 0 | 0 | 0 | 112.3 | | |
| 694 | P | 40.5 | Very low | 35.6 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -109.3 | 116.9 | 156.1 | 33.1 | -23.2 | 0 | 0 | 0 | 112 | N696 | P694-N696 PolarHBondContact O-N 3.35Š|
| 695 | T | 34.6 | Very low | 36 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -72.8 | 114.2 | 164.1 | 36.8 | 0 | 0 | 0 | 0 | 110.1 | S697 | T695-S697 PolarHBondContact O-N 3.33Š|
| 696 | N | 34.4 | Very low | 36 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | | | trans | -83.1 | 101.2 | 171.2 | -96.4 | -14.5 | 0 | 0 | 0 | 110.7 | P694 | P694-N696 PolarHBondContact O-N 3.35Š|
| 697 | S | 29.5 | Very low | 35.7 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -122.4 | 100.2 | 162.6 | 57.8 | 0 | 0 | 0 | 0 | 109.1 | T695 | T695-S697 PolarHBondContact O-N 3.33Š|
| 698 | S | 36.4 | Very low | 35.7 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -97.4 | 107.8 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 699 | V | 33.9 | Very low | 35.6 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 127.1 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 700 | Q | 37.7 | Very low | 35.6 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | -160.2 | 91 | 151.1 | -104.8 | 173.8 | 13.5 | 0 | 0 | 106.1 | | |
| 701 | K | 35.6 | Very low | 36.1 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | | | | 77 | 133.3 | 69.5 | -150.8 | -155.1 | 176 | 178.9 | 0 | 112.1 | | |
| 702 | N | 37.8 | Very low | 36.1 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | | | trans | 75.7 | 135.6 | 176.7 | -54.5 | 9 | 0 | 0 | 0 | 115 | | |
| 703 | D | 38.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | cis | -159.2 | 150 | -10.7 | -95.7 | -35.8 | 0 | 0 | 0 | 109 | | |
| 704 | A | 37.8 | Very low | 36.7 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | 50.5 | 136.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 705 | L | 38.4 | Very low | 36.6 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | cis | -152.9 | 153.5 | 11.7 | -71.5 | 174.8 | 0 | 0 | 0 | 110 | | |
| 706 | L | 35.9 | Very low | 36.9 | Very low | 147 Ų | 147 | 126 Ų | 126 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | | 33.2 | 144.1 | 122.9 | -50.5 | 172.9 | 0 | 0 | 0 | 119.3 | | |
| 707 | S | 36 | Very low | 37.1 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | | | cis | -177.9 | 158.4 | 6.8 | -115.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 708 | T | 35.5 | Very low | 37.5 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | | | trans | 62.4 | 150.6 | 146.3 | 59 | 0 | 0 | 0 | 0 | 118.6 | | |
| 709 | S | 40.5 | Very low | 37.5 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | cis | -152.1 | 134.3 | 25.1 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 710 | N | 34.4 | Very low | 37.6 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | | | trans | -64.4 | -180 | 148.3 | -75.8 | -27.5 | 0 | 0 | 0 | 109.6 | | |
| 711 | P | 43.1 | Very low | 37.6 | Very low | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | cis | -152.2 | 174.3 | 21.3 | 45.7 | -24.5 | 0 | 0 | 0 | 119.9 | | |
| 712 | S | 34.3 | Very low | 37.6 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | | | trans | 39.7 | 124.1 | 138.8 | 66.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 713 | N | 38.1 | Very low | 37.7 | Very low | 156 Ų | 156 | 124 Ų | 124 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | | -173.4 | 152.6 | 127.1 | -91.6 | -20.8 | 0 | 0 | 0 | 108.5 | | |
| 714 | S | 37.7 | Very low | 37.6 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | | | cis | -177.1 | 131.8 | -24.8 | 50.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 715 | A | 38.9 | Very low | 38 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 88% | 0.876 | 74% | 0.735 | S | S | * | * | | | trans | 63.2 | 154.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 716 | A | 39.9 | Very low | 38 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | | | cis | -143.6 | 148.8 | 11.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 717 | V | 39.3 | Very low | 38.3 | Very low | 134 Ų | 134 | 118 Ų | 118 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | | | trans | 32 | 109.4 | 136.4 | -170.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 718 | N | 38.8 | Very low | 38.8 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | | -150.8 | 125.2 | 69.8 | -136.1 | -6.2 | 0 | 0 | 0 | 113.2 | | |
| 719 | V | 35.4 | Very low | 39.3 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | trans | -141.6 | 121.7 | 170 | 170.3 | 0 | 0 | 0 | 0 | 107.1 | T721 | V719-T721 HydrophobicContact CG1-CG2 4.06Š|
| 720 | Y | 36.6 | Very low | 39.3 | Very low | 208 Ų | 208 | 123 Ų | 123 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | | | trans | -157.3 | 112.7 | 151.2 | -82.1 | -68 | 0 | 0 | 0 | 105.3 | | |
| 721 | T | 36.7 | Very low | 39.5 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 61% | 0.613 | 73% | 0.727 | S | S | * | * | | | | 49.1 | 131.4 | 57.1 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | V719 | V719-T721 HydrophobicContact CG1-CG2 4.06Š|
| 722 | C | 36.2 | Very low | 39.1 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | | | | 153.9 | 125.4 | 125.1 | -81.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 723 | F | 39.1 | Very low | 39.3 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | | | trans | 51.7 | 111.3 | 139.1 | -53 | -58.4 | 0 | 0 | 0 | 122.7 | | |
| 724 | A | 37.3 | Very low | 39.1 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | | | | 41.7 | 172.4 | 101.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 725 | P | 45.4 | Very low | 39.3 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | | | cis | -133.7 | -178.7 | -18.9 | 37.2 | -19.4 | 0 | 0 | 0 | 114.7 | | |
| 726 | S | 39.8 | Very low | 39.2 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | 67.3 | 156.3 | 150.1 | 73.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 727 | A | 41.2 | Very low | 39 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | | | cis | -155.9 | 141.9 | 7.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 728 | F | 47.2 | Very low | 38.9 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | | | trans | 48.3 | 163.4 | 140 | -71.8 | -61.2 | 0 | 0 | 0 | 123 | | |
| 729 | P | 45.8 | Very low | 39 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | | | cis | -130.2 | -168.4 | -29 | 40.2 | -21.9 | 0 | 0 | 0 | 110.5 | | |
| 730 | N | 39.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | | | cis | -157.6 | 169.2 | 3.1 | -135.7 | -15.8 | 0 | 0 | 0 | 112.3 | | |
| 731 | H | 39.4 | Very low | 40.1 | Very low | 141 Ų | 141 | 127 Ų | 127 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | | | trans | 23.8 | 120 | 161.3 | -71.7 | -74.3 | 0 | 0 | 0 | 121 | | |
| 732 | Q | 35.6 | Very low | 40.5 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | | | | 84 | 133.3 | 58.2 | -81.1 | -172.5 | -20.9 | 0 | 0 | 117 | | |
| 733 | Q | 37.3 | Very low | 40.7 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 83.2 | 90.5 | 143 | -76.6 | 173.1 | -1.8 | 0 | 0 | 122.3 | | |
| 734 | T | 35.1 | Very low | 40.9 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | | 63.8 | -176.1 | 124.7 | 60.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 735 | P | 41.9 | Very low | 41.3 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | | -125.9 | -168.4 | -95.5 | 39.7 | -21.2 | 0 | 0 | 0 | 113.6 | | |
| 736 | V | 35.6 | Very low | 41.2 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | | | trans | 77.7 | 107.4 | 157.3 | 167.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 737 | F | 36.4 | Very low | 41.2 | Very low | 180 Ų | 180 | 131 Ų | 131 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | | | trans | 70.3 | 137 | 144.7 | -79 | -110.4 | 0 | 0 | 0 | 123.3 | | |
| 738 | N | 36.7 | Very low | 41.5 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | 86.7 | 105.9 | 147.5 | -71.4 | -8.7 | 0 | 0 | 0 | 122.4 | | |
| 739 | V | 40.5 | Very low | 41.3 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | | 59.9 | 98.2 | 118.8 | -178.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 740 | D | 41.2 | Very low | 41.2 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | | | | 57.2 | 164.2 | 124.1 | -76.4 | -19 | 0 | 0 | 0 | 121.5 | | |
| 741 | P | 54.2 | Low | 41.3 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | cis | -136.6 | -179.8 | -15.1 | 30.1 | -7.7 | 0 | 0 | 0 | 115.2 | | |
| 742 | D | 44.2 | Very low | 41.2 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | | 92.7 | 149.5 | 125.5 | -102 | -27.5 | 0 | 0 | 0 | 126.2 | | |
| 743 | F | 41.6 | Very low | 41.5 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | 76.2 | 112.2 | 155.6 | -78.8 | -64.2 | 0 | 0 | 0 | 123.7 | | |
| 744 | G | 43.1 | Very low | 41.5 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | trans | 129.5 | 123.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 745 | M | 46.6 | Very low | 41.7 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | cis | 178.3 | 170.6 | -12.9 | -120.9 | -71.3 | 159.3 | 0 | 0 | 106.2 | | |
| 746 | N | 42.8 | Very low | 42.1 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | 78.1 | 125.2 | 176.9 | -49.3 | -30.4 | 0 | 0 | 0 | 116.6 | | |
| 747 | G | 40.3 | Very low | 42.4 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | cis | 166 | 132.4 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 748 | G | 45.9 | Very low | 43.1 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 118.8 | 139.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 749 | A | 43.7 | Very low | 43.3 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | cis | -164.6 | 147.8 | -25.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 750 | I | 44.1 | Very low | 43.3 | Very low | 162 Ų | 162 | 127 Ų | 127 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | trans | 48.9 | 141.2 | 151.2 | 63.6 | -176.7 | 0 | 0 | 0 | 121.1 | | |
| 751 | S | 40 | Very low | 43.3 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | cis | -162.1 | 167.8 | -3.3 | -105.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 752 | F | 39.2 | Very low | 42.9 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -97 | 170.7 | -171.4 | -72.2 | -104.3 | 0 | 0 | 0 | 115.7 | | |
| 753 | T | 40.6 | Very low | 42.8 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | 120.3 | 115.8 | 134 | 64.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 754 | N | 38.7 | Very low | 43 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | | 67 | 132.8 | 125.5 | -59.8 | -10.1 | 0 | 0 | 0 | 125 | | |
| 755 | S | 39.3 | Very low | 43 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -48.8 | 171.9 | 157.2 | -112.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 756 | P | 49.6 | Very low | 43 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | cis | -143.8 | -175.7 | 38.1 | 38.9 | -16.3 | 0 | 0 | 0 | 118.8 | | |
| 757 | Q | 42.6 | Very low | 43.3 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -70.7 | 170.3 | -178.7 | -138.3 | -167.1 | 13.3 | 0 | 0 | 114.6 | | |
| 758 | P | 49.5 | Very low | 43.6 | Very low | 128 Ų | 128 | 130 Ų | 130 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | | -142.3 | -179 | 105.8 | 39.3 | -25.7 | 0 | 0 | 0 | 115.5 | | |
| 759 | S | 40.8 | Very low | 43.8 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 54% | 0.538 | 79% | 0.788 | S | S | . | * | | | trans | -121.6 | 168.5 | -161.2 | 55.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 760 | N | 42.1 | Very low | 43.8 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | 117.6 | 154.8 | 145.7 | -59.9 | -41.3 | 0 | 0 | 0 | 119.7 | | |
| 761 | F | 39.4 | Very low | 43.8 | Very low | 189 Ų | 189 | 143.1 Ų | 143.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | 74.3 | 111.5 | -179.7 | -72.5 | -91.2 | 0 | 0 | 0 | 116.1 | | |
| 762 | V | 46.1 | Very low | 44 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | | | cis | 66.5 | 112.7 | 46.3 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 763 | D | 43.2 | Very low | 44.3 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | | -164.2 | 165 | 58.2 | -140.9 | -33.4 | 0 | 0 | 0 | 115.6 | | |
| 764 | S | 44.9 | Very low | 44.6 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | trans | -22.8 | 149.8 | 166.9 | -48.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 765 | N | 43.7 | Very low | 44.9 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | | 145.2 | 147.4 | 94.3 | -132.5 | -35.4 | 0 | 0 | 0 | 116.9 | | |
| 766 | K | 47.4 | Very low | 45.4 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | 69 | 142.8 | 165.6 | -56.5 | 168.1 | -177.7 | 173.9 | 0 | 118.2 | | |
| 767 | G | 48.2 | Very low | 45 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | cis | 169.1 | 163.5 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 768 | C | 47.1 | Very low | 45.2 | Very low | 141 Ų | 141 | 145 Ų | 145 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | | | trans | 68.7 | 130.5 | -176.4 | -55.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 769 | R | 50.2 | Low | 44.8 | Very low | 317 Ų | 317 | 146.5 Ų | 146.5 | 100% | 1.196 | 79% | 0.785 | S | S | * | * | | | cis | -137.5 | 0 | 27.6 | -157 | -175.9 | -155.6 | -174.9 | 6.7 | 112.5 | | |