| 1 | M | 39.3 | Very low | 36.5 | Very low | 241 Ų | 241 | 166.8 Ų | 166.8 | 100% | 1.187 | 85% | 0.848 | S | S | * | * | | | | 0 | 119.7 | 0 | -68.4 | 165.5 | 74.3 | 0 | 0 | 107.1 | | |
| 2 | F | 34.4 | Very low | 36.5 | Very low | 204 Ų | 204 | 160.1 Ų | 160.1 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | | | trans | -85.8 | 126 | -178.6 | -69.8 | -88.4 | 0 | 0 | 0 | 109.4 | | |
| 3 | S | 39.7 | Very low | 36.6 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | | | trans | -125.6 | 92.3 | 165.2 | 67.2 | 0 | 0 | 0 | 0 | 109.7 | Q5 | S3-Q5 VanDerWaalsContact C-N 3.33Å; S3-Q5 PolarHBondContact O-N 3.18Å; S3-Q5 VanDerWaalsContact O-N 3.16Å |
| 4 | N | 34 | Very low | 36.5 | Very low | 159 Ų | 159 | 161.2 Ų | 161.2 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | | | trans | -77.2 | 86 | 164 | -74 | -24.9 | 0 | 0 | 0 | 108.2 | | |
| 5 | Q | 37.9 | Very low | 36.3 | Very low | 171 Ų | 171 | 160.1 Ų | 160.1 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | | | trans | -143 | 94 | 170.6 | -74.4 | -174.6 | -18.7 | 0 | 0 | 108.8 | S3 | S3-Q5 VanDerWaalsContact C-N 3.33Å; S3-Q5 PolarHBondContact O-N 3.18Å; S3-Q5 VanDerWaalsContact O-N 3.16Å |
| 6 | Y | 34.1 | Very low | 36.5 | Very low | 224 Ų | 224 | 160.3 Ų | 160.3 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | | | | -177.1 | 107.4 | 120.7 | -138.6 | -108.3 | 0 | 0 | 0 | 108.5 | G8 | Y6-G8 PolarHBondContact O-N 3.34Š|
| 7 | M | 31.8 | Very low | 36.5 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | | | trans | -67.4 | 85.8 | 163.2 | -73.4 | 177.9 | 71.5 | 0 | 0 | 107.8 | T9 | M7-T9 PolarHBondContact O-N 2.9Š|
| 8 | G | 35.9 | Very low | 36.2 | Very low | 55 Ų | 55 | 162.7 Ų | 162.7 | 57% | 0.567 | 83% | 0.833 | S | S | * | * | | | trans | -66.8 | 96.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y6 R10 | Y6-G8 PolarHBondContact O-N 3.34Å; G8-R10 PolarHBondContact O-N 3.42Å |
| 9 | T | 38.2 | Very low | 36 | Very low | 131 Ų | 131 | 158.9 Ų | 158.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | -45.2 | 102.9 | 170.3 | 49.5 | 0 | 0 | 0 | 0 | 110.3 | M7 | M7-T9 PolarHBondContact O-N 2.9Š|
| 10 | R | 36.4 | Very low | 36.1 | Very low | 236 Ų | 236 | 155.6 Ų | 155.6 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123.6 | 168.6 | -71.7 | -177.8 | 165.6 | -161.5 | -4.5 | 107.3 | G8 A12 | G8-R10 PolarHBondContact O-N 3.42Å; R10-A12 PolarHBondContact O-N 3.11Å; R10-A12 VanDerWaalsContact O-N 3.15Å |
| 11 | P | 40.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 121.5 | -173.3 | 19.9 | -30.1 | 0 | 0 | 0 | 110.3 | S13 | P11-S13 PolarHBondContact O-N 3.19Š|
| 12 | A | 35.9 | Very low | 35.9 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 129 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | R10 R14 | R10-A12 PolarHBondContact O-N 3.11Å; R10-A12 VanDerWaalsContact O-N 3.15Å; A12-R14 PolarHBondContact O-N 2.96Å |
| 13 | S | 37.9 | Very low | 36 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | 35.2 | 87.5 | 145.9 | 52.8 | 0 | 0 | 0 | 0 | 116 | P11 N15 | P11-S13 PolarHBondContact O-N 3.19Å; S13-N15 VanDerWaalsContact C-N 3.32Å; S13-N15 PolarHBondContact O-N 3.06Å |
| 14 | R | 35.3 | Very low | 35.8 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -60.5 | 102.9 | 151.7 | -74.6 | -176.6 | 175.3 | -166.6 | -2 | 107.4 | A12 L16 | A12-R14 PolarHBondContact O-N 2.96Å; R14-L16 PolarHBondContact O-N 3.07Å |
| 15 | N | 33.4 | Very low | 36 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -55.1 | 97.8 | 168.1 | -74.1 | -49.5 | 0 | 0 | 0 | 108.6 | S13 S17 | S13-N15 VanDerWaalsContact C-N 3.32Å; S13-N15 PolarHBondContact O-N 3.06Å; N15-S17 PolarHBondContact O-N 2.89Å |
| 16 | L | 39.7 | Very low | 35.9 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -73.5 | 108.5 | 164.5 | -68.3 | 174.4 | 0 | 0 | 0 | 106.7 | R14 R18 | R14-L16 PolarHBondContact O-N 3.07Å; L16-R18 PolarHBondContact O-N 2.95Å |
| 17 | S | 37 | Very low | 36.2 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -50.9 | 110.9 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | N15 A19 | N15-S17 PolarHBondContact O-N 2.89Å; S17-A19 PolarHBondContact O-N 2.94Å; S17-A19 VanDerWaalsContact O-N 3.15Å |
| 18 | R | 31.2 | Very low | 36.6 | Very low | 244 Ų | 244 | 136 Ų | 136 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | trans | -70.5 | 110 | 178.2 | -155.5 | 177.1 | -162.6 | -168.2 | 2.8 | 107 | L16 A20 | L16-R18 PolarHBondContact O-N 2.95Å; R18-A20 PolarHBondContact O-N 2.89Å |
| 19 | A | 32.4 | Very low | 36.6 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | -53.9 | 125.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | S17 S21 | S17-A19 PolarHBondContact O-N 2.94Å; S17-A19 VanDerWaalsContact O-N 3.15Å; A19-S21 PolarHBondContact O-N 2.95Å |
| 20 | A | 37.5 | Very low | 37.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -64.3 | 82.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R18 T22 | R18-A20 PolarHBondContact O-N 2.89Å; A20-T22 PolarHBondContact O-N 3.14Å |
| 21 | S | 36.2 | Very low | 37.3 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | trans | -74.3 | 90.9 | 167.7 | -169 | 0 | 0 | 0 | 0 | 106.3 | A19 T23 | A19-S21 PolarHBondContact O-N 2.95Å; S21-T23 PolarHBondContact O-N 3.21Å; S21-T23 PolarHBondContact OG-OG1 3.47Å |
| 22 | T | 34.9 | Very low | 37.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | | | trans | -66 | 72.5 | 165 | 52.6 | 0 | 0 | 0 | 0 | 107.9 | A20 V24 | A20-T22 PolarHBondContact O-N 3.14Å; T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 3.22Å |
| 23 | T | 36.8 | Very low | 37.9 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 61% | 0.607 | 75% | 0.747 | S | S | * | * | | | trans | -75.4 | 97.6 | 168.5 | -49.2 | 0 | 0 | 0 | 0 | 105.9 | S21 Y25 | S21-T23 PolarHBondContact O-N 3.21Å; S21-T23 PolarHBondContact OG-OG1 3.47Å; T23-Y25 PolarHBondContact O-N 2.75Å |
| 24 | V | 34.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | -54.9 | 101.6 | 176 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | T22 G26 | T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 3.22Å; V24-G26 PolarHBondContact O-N 3.1Å |
| 25 | Y | 37.8 | Very low | 38.7 | Very low | 240 Ų | 240 | 136.5 Ų | 136.5 | 94% | 0.941 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 70.3 | 166.9 | -89.8 | -92.8 | 0 | 0 | 0 | 108.3 | T23 | T23-Y25 PolarHBondContact O-N 2.75Š|
| 26 | G | 37.1 | Very low | 39.2 | Very low | 55 Ų | 55 | 133.6 Ų | 133.6 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | -7.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V24 S28 | V24-G26 PolarHBondContact O-N 3.1Å; G26-S28 PolarHBondContact O-N 3.08Å |
| 27 | Q | 39.4 | Very low | 39.3 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | trans | -89.6 | 103 | 173.6 | -75.6 | -158.3 | -20.8 | 0 | 0 | 110.7 | G29 | Q27-G29 VanDerWaalsContact C-N 3.34Å; Q27-G29 PolarHBondContact O-N 2.88Å |
| 28 | S | 40.9 | Very low | 39.7 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | | | trans | -56.3 | 94 | 161.5 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | G26 | G26-S28 PolarHBondContact O-N 3.08Š|
| 29 | G | 35.4 | Very low | 40.6 | Very low | 35 Ų | 35 | 130.8 Ų | 130.8 | 36% | 0.361 | 74% | 0.739 | S | S | . | * | | | trans | -64.4 | 161.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q27 Y31 S32 | Q27-G29 VanDerWaalsContact C-N 3.34Å; Q27-G29 PolarHBondContact O-N 2.88Å; G29-Y31 PolarHBondContact O-N 2.97Å; G29-S32 WeakPolarHBondContact O-CB 3.32Å; G29-S32 PolarHBondContact O-N 2.95Å |
| 30 | P | 48.3 | Very low | 41.5 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 0.9 | 178.7 | 25.1 | -34.1 | 0 | 0 | 0 | 114.3 | | |
| 31 | Y | 41.9 | Very low | 42.1 | Very low | 206 Ų | 206 | 137.2 Ų | 137.2 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 4.1 | 174.7 | -56.1 | -71.3 | 0 | 0 | 0 | 113.9 | G29 R33 | G29-Y31 PolarHBondContact O-N 2.97Å; Y31-R33 VanDerWaalsContact C-N 3.28Å; Y31-R33 PolarHBondContact O-N 2.96Å |
| 32 | S | 42.6 | Very low | 43 | Very low | 68 Ų | 68 | 137 Ų | 137 | 48% | 0.476 | 73% | 0.732 | S | S | . | * | | | trans | -72.7 | 82.4 | 175.7 | -81.7 | 0 | 0 | 0 | 0 | 110.8 | G29 L34 | G29-S32 WeakPolarHBondContact O-CB 3.32Å; G29-S32 PolarHBondContact O-N 2.95Å; S32-L34 PolarHBondContact O-N 2.89Å |
| 33 | R | 44.3 | Very low | 44.4 | Very low | 222 Ų | 222 | 138.3 Ų | 138.3 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -72.5 | 27.1 | 175.2 | -64.7 | -177.3 | 177 | -175.1 | -1.2 | 113.9 | Y31 N35 | Y31-R33 VanDerWaalsContact C-N 3.28Å; Y31-R33 PolarHBondContact O-N 2.96Å; R33-N35 VanDerWaalsContact C-N 3.3Å; R33-N35 PolarHBondContact O-N 3.28Å |
| 34 | L | 46.4 | Very low | 45.2 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -80.5 | -7.1 | -175.8 | -82.7 | 166.8 | 0 | 0 | 0 | 114.2 | S32 | S32-L34 PolarHBondContact O-N 2.89Š|
| 35 | N | 43.8 | Very low | 46 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -118.6 | 27.6 | 178 | -75.7 | -12.7 | 0 | 0 | 0 | 114 | R33 | R33-N35 VanDerWaalsContact C-N 3.3Å; R33-N35 PolarHBondContact O-N 3.28Å |
| 36 | A | 45.4 | Very low | 46.8 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | | | trans | -90.3 | 113.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 37 | Q | 40.7 | Very low | 47.8 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | | | trans | -28.8 | 152.8 | 167.2 | -74.9 | -77.9 | -34.3 | 0 | 0 | 115.1 | Q39 | Q37-Q39 PolarHBondContact O-N 2.91Š|
| 38 | P | 46.1 | Very low | 48.9 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -49.7 | 123.9 | -168.4 | 19.3 | -31.5 | 0 | 0 | 0 | 110.8 | Q40 | P38-Q40 PolarHBondContact O-N 3.36Š|
| 39 | Q | 50.9 | Low | 49.6 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | | | trans | -49.5 | 109 | -179 | -62.3 | -172.3 | -6.2 | 0 | 0 | 108.6 | Q37 K41 | Q37-Q39 PolarHBondContact O-N 2.91Å; Q39-K41 PolarHBondContact O-N 3.17Å |
| 40 | Q | 51.1 | Low | 50.7 | Low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | | | trans | -56.8 | 108.6 | 166.4 | -80.4 | 179.6 | -1.3 | 0 | 0 | 106 | P38 | P38-Q40 PolarHBondContact O-N 3.36Š|
| 41 | K | 49.2 | Very low | 51.1 | Low | 132 Ų | 132 | 138.1 Ų | 138.1 | 57% | 0.574 | 73% | 0.728 | S | S | * | * | | | trans | -53.4 | 131.3 | 173.8 | -136.4 | -179 | -177 | -172.4 | 0 | 105.9 | Q39 V43 A45 | Q39-K41 PolarHBondContact O-N 3.17Å; K41-V43 PolarHBondContact O-N 3.22Å; K41-A45 HydrophobicContact CG-CB 4.31Å |
| 42 | P | 55.1 | Low | 51.9 | Low | 95 Ų | 95 | 135.9 Ų | 135.9 | 62% | 0.617 | 73% | 0.725 | S | S | * | * | | | trans | -52 | 131.3 | 174.1 | -21.3 | 29.9 | 0 | 0 | 0 | 108 | N44 A45 | P42-N44 PolarHBondContact O-N 2.84Å; P42-A45 HydrophobicContact CB-CB 4.5Å; P42-A45 WeakPolarHBondContact O-CB 3.46Å; P42-A45 PolarHBondContact O-N 2.8Å |
| 43 | V | 64.1 | Low | 52.6 | Low | 147 Ų | 147 | 137.6 Ų | 137.6 | 89% | 0.891 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -17.2 | -176.9 | -177.7 | 0 | 0 | 0 | 0 | 112 | K41 | K41-V43 PolarHBondContact O-N 3.22Š|
| 44 | N | 54.4 | Low | 53.6 | Low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 14.1 | 178.5 | -64.2 | -2 | 0 | 0 | 0 | 114.3 | P42 K46 | P42-N44 PolarHBondContact O-N 2.84Å; N44-K46 PolarHBondContact O-N 2.94Å |
| 45 | A | 51.8 | Low | 54.7 | Low | 45 Ų | 45 | 136.4 Ų | 136.4 | 37% | 0.372 | 73% | 0.734 | S | S | . | * | | | trans | -69.9 | 102.7 | 170 | 0 | 0 | 0 | 0 | 0 | 107.9 | K41 P42 D47 | K41-A45 HydrophobicContact CG-CB 4.31Å; P42-A45 HydrophobicContact CB-CB 4.5Å; P42-A45 WeakPolarHBondContact O-CB 3.46Å; P42-A45 PolarHBondContact O-N 2.8Å; A45-D47 PolarHBondContact O-N 2.89Å |
| 46 | K | 54.3 | Low | 56.1 | Low | 173 Ų | 173 | 132.3 Ų | 132.3 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | trans | -45.8 | 132.9 | 172.4 | -155.2 | 176.4 | -179.1 | -168.8 | 0 | 108.4 | N44 N48 | N44-K46 PolarHBondContact O-N 2.94Å; K46-N48 PolarHBondContact O-N 2.93Å |
| 47 | D | 58.5 | Low | 57.6 | Low | 97 Ų | 97 | 133.5 Ų | 133.5 | 52% | 0.519 | 71% | 0.71 | S | S | . | * | | | trans | -63.1 | 126.3 | -176 | -160.2 | 15.4 | 0 | 0 | 0 | 108.9 | A45 N49 | A45-D47 PolarHBondContact O-N 2.89Å; D47-N49 VanDerWaalsContact CG-ND2 3.26Å; D47-N49 PolarHBondContact O-N 2.93Å; D47-N49 VanDerWaalsContact O-N 3.13Å; D47-N49 PolarHBondContact OD1-ND2 3.09Å; D47-N49 VanDerWaalsContact OD1-ND2 3.1Å; D47-N49 PolarHBondContact OD2-ND2 3.09Å |
| 48 | N | 61 | Low | 59.5 | Low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | | | trans | -82.8 | 22.2 | -176 | -72.5 | -28.6 | 0 | 0 | 0 | 111.6 | K46 | K46-N48 PolarHBondContact O-N 2.93Š|
| 49 | N | 57 | Low | 61.3 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | | | trans | -89.7 | 4.1 | -168.9 | -80.9 | -31.8 | 0 | 0 | 0 | 114.7 | D47 A51 | D47-N49 VanDerWaalsContact CG-ND2 3.26Å; D47-N49 PolarHBondContact O-N 2.93Å; D47-N49 VanDerWaalsContact O-N 3.13Å; D47-N49 PolarHBondContact OD1-ND2 3.09Å; D47-N49 VanDerWaalsContact OD1-ND2 3.1Å; D47-N49 PolarHBondContact OD2-ND2 3.09Å; N49-A51 PolarHBondContact O-N 3.46Å |
| 50 | D | 58.2 | Low | 62.8 | Low | 141 Ų | 141 | 124 Ų | 124 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | | | trans | -89.6 | 98.1 | 177.9 | -62.7 | -33.6 | 0 | 0 | 0 | 109.8 | E52 | D50-E52 PolarHBondContact O-N 3.18Š|
| 51 | A | 56.2 | Low | 64.2 | Low | 98 Ų | 98 | 119.8 Ų | 119.8 | 81% | 0.81 | 64% | 0.638 | S | S | * | * | | | trans | -69.6 | 17.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | N49 | N49-A51 PolarHBondContact O-N 3.46Š|
| 52 | E | 57.7 | Low | 66 | Low | 160 Ų | 160 | 120.4 Ų | 120.4 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -103.6 | 121.7 | 174.4 | -72.6 | -65.2 | 138.9 | 0 | 0 | 108.1 | D50 E54 | D50-E52 PolarHBondContact O-N 3.18Å; E52-E54 VanDerWaalsContact C-N 3.31Å; E52-E54 PolarHBondContact O-N 3.1Å |
| 53 | P | 57.8 | Low | 67.5 | Low | 104 Ų | 104 | 118.8 Ų | 118.8 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | | | trans | -60.6 | 103.4 | 168.3 | 26.7 | -30 | 0 | 0 | 0 | 106 | E55 | P53-E55 VanDerWaalsContact C-N 3.32Å; P53-E55 PolarHBondContact O-N 2.98Å |
| 54 | E | 65.5 | Low | 68.6 | Low | 172 Ų | 172 | 115.4 Ų | 115.4 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | | | trans | -53.4 | 101.9 | 176.3 | -160.4 | 174.2 | -156.3 | 0 | 0 | 106.3 | E52 V56 | E52-E54 VanDerWaalsContact C-N 3.31Å; E52-E54 PolarHBondContact O-N 3.1Å; E54-V56 VanDerWaalsContact C-N 3.26Å; E54-V56 PolarHBondContact O-N 2.95Å |
| 55 | E | 70.7 | Confident | 69.8 | Low | 183 Ų | 183 | 112.1 Ų | 112.1 | 86% | 0.855 | 60% | 0.6 | S | S | * | * | | | trans | -65.1 | 96.5 | 179.3 | -75.8 | -172.7 | 176.4 | 0 | 0 | 105.8 | P53 D57 | P53-E55 VanDerWaalsContact C-N 3.32Å; P53-E55 PolarHBondContact O-N 2.98Å; E55-D57 PolarHBondContact O-N 3.1Å |
| 56 | V | 73.2 | Confident | 71.3 | Confident | 78 Ų | 78 | 119.9 Ų | 119.9 | 47% | 0.473 | 62% | 0.619 | S | S | . | * | | | trans | -61.7 | 110.7 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | E54 Y58 | E54-V56 VanDerWaalsContact C-N 3.26Å; E54-V56 PolarHBondContact O-N 2.95Å; V56-Y58 HydrophobicContact CB-CD2 4.3Å; V56-Y58 HydrophobicContact CB-CE1 4.43Å; V56-Y58 HydrophobicContact CB-CE2 3.64Å; V56-Y58 HydrophobicContact CG1-CD1 4.22Å; V56-Y58 HydrophobicContact CG1-CD2 4.33Å; V56-Y58 HydrophobicContact CG1-CE1 3.69Å; V56-Y58 HydrophobicContact CG1-CE2 3.81Å; V56-Y58 VanDerWaalsContact CG1-CZ 3.45Å; V56-Y58 WeakPolarHBondContact O-CD2 3.25Å; V56-Y58 WeakPolarHBondContact O-CE2 3.34Å; V56-Y58 PolarHBondContact O-N 3.16Å |
| 57 | D | 76.3 | Confident | 72.6 | Confident | 110 Ų | 110 | 116.1 Ų | 116.1 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | | | trans | -67.9 | 100.9 | 179.3 | -178.1 | 15.6 | 0 | 0 | 0 | 110 | E55 S59 F60 | E55-D57 PolarHBondContact O-N 3.1Å; D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 WeakPolarHBondContact OD1-CA 3.2Å; D57-S59 WeakPolarHBondContact OD1-CB 3.37Å; D57-S59 PolarHBondContact OD1-N 2.72Å; D57-S59 PolarHBondContact OD1-OG 2.65Å; D57-S59 PolarHBondContact OD2-OG 3.23Å; D57-F60 WeakPolarHBondContact O-CD1 3.46Å; D57-F60 WeakPolarHBondContact O-CE1 3.32Å |
| 58 | Y | 80.5 | Confident | 73.8 | Confident | 153 Ų | 153 | 114.5 Ų | 114.5 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | | | trans | -87.8 | 12.8 | 174.3 | -63.9 | -72.9 | 0 | 0 | 0 | 112.8 | V56 F60 M61 | V56-Y58 HydrophobicContact CB-CD2 4.3Å; V56-Y58 HydrophobicContact CB-CE1 4.43Å; V56-Y58 HydrophobicContact CB-CE2 3.64Å; V56-Y58 HydrophobicContact CG1-CD1 4.22Å; V56-Y58 HydrophobicContact CG1-CD2 4.33Å; V56-Y58 HydrophobicContact CG1-CE1 3.69Å; V56-Y58 HydrophobicContact CG1-CE2 3.81Å; V56-Y58 VanDerWaalsContact CG1-CZ 3.45Å; V56-Y58 WeakPolarHBondContact O-CD2 3.25Å; V56-Y58 WeakPolarHBondContact O-CE2 3.34Å; V56-Y58 PolarHBondContact O-N 3.16Å; Y58-F60 HydrophobicContact CD1-CE1 4.19Å; Y58-F60 HydrophobicContact CD1-CZ 4.22Å; Y58-F60 PolarHBondContact O-N 2.63Å; Y58-F60 VanDerWaalsContact O-N 3.09Å; Y58-M61 VanDerWaalsContact O-CB 3.25Å; Y58-M61 WeakPolarHBondContact O-CB 3.42Å; Y58-M61 PolarHBondContact O-N 3.2Å |
| 59 | S | 83.2 | Confident | 74.5 | Confident | 61 Ų | 61 | 115.8 Ų | 115.8 | 43% | 0.427 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -53 | -33.1 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | D57 M61 N62 | D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 WeakPolarHBondContact OD1-CA 3.2Å; D57-S59 WeakPolarHBondContact OD1-CB 3.37Å; D57-S59 PolarHBondContact OD1-N 2.72Å; D57-S59 PolarHBondContact OD1-OG 2.65Å; D57-S59 PolarHBondContact OD2-OG 3.23Å; S59-M61 PolarHBondContact O-N 2.78Å; S59-M61 VanDerWaalsContact O-N 3.12Å; S59-N62 WeakPolarHBondContact O-CB 3.43Å; S59-N62 PolarHBondContact O-N 2.89Å |
| 60 | F | 82.3 | Confident | 75.6 | Confident | 53 Ų | 53 | 117 Ų | 117 | 23% | 0.232 | 59% | 0.585 | C | S | . | * | G | 310 helix | trans | -59.9 | -23.7 | 176 | 69.7 | -90.8 | 0 | 0 | 0 | 113.5 | D57 Y58 N62 L63 R68 L71 F72 | D57-F60 WeakPolarHBondContact O-CD1 3.46Å; D57-F60 WeakPolarHBondContact O-CE1 3.32Å; Y58-F60 HydrophobicContact CD1-CE1 4.19Å; Y58-F60 HydrophobicContact CD1-CZ 4.22Å; Y58-F60 PolarHBondContact O-N 2.63Å; Y58-F60 VanDerWaalsContact O-N 3.09Å; F60-N62 PolarHBondContact O-N 2.92Å; F60-L63 HydrophobicContact CB-CD1 4.18Å; F60-L63 VanDerWaalsContact O-CB 3.29Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.4Å; F60-R68 HydrophobicContact CD2-CG 4.37Å; F60-R68 WeakPolarHBondContact O-CD 3.33Å; F60-R68 WeakPolarHBondContact O-CG 3.42Å; F60-L71 HydrophobicContact CB-CD1 3.41Å; F60-L71 VanDerWaalsContact CB-CD1 3.41Å; F60-L71 HydrophobicContact CG-CD1 4.27Å; F60-F72 HydrophobicContact CD2-CZ 4.34Å; F60-F72 AromaticContact CE2-CZ 3.95Å; F60-F72 HydrophobicContact CE2-CZ 3.95Å |
| 61 | M | 81 | Confident | 76.4 | Confident | 98 Ų | 98 | 115 Ų | 115 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -65.3 | -24.6 | 177 | -69.5 | -63.2 | -75.5 | 0 | 0 | 112.8 | Y58 S59 L63 R68 | Y58-M61 VanDerWaalsContact O-CB 3.25Å; Y58-M61 WeakPolarHBondContact O-CB 3.42Å; Y58-M61 PolarHBondContact O-N 3.2Å; S59-M61 PolarHBondContact O-N 2.78Å; S59-M61 VanDerWaalsContact O-N 3.12Å; M61-L63 VanDerWaalsContact C-N 3.27Å; M61-R68 PolarHBondContact O-NH1 3.09Å; M61-R68 PolarHBondContact SD-NH1 3.05Å |
| 62 | N | 88.1 | Confident | 77.3 | Confident | 146 Ų | 146 | 117.5 Ų | 117.5 | 78% | 0.781 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -76.5 | -15.9 | 174.4 | -61.1 | -31.7 | 0 | 0 | 0 | 112.5 | S59 F60 | S59-N62 WeakPolarHBondContact O-CB 3.43Å; S59-N62 PolarHBondContact O-N 2.89Å; F60-N62 PolarHBondContact O-N 2.92Å |
| 63 | L | 84.9 | Confident | 77.7 | Confident | 60 Ų | 60 | 116 Ų | 116 | 31% | 0.314 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -72.1 | 145.1 | 179.2 | -61.3 | 171.9 | 0 | 0 | 0 | 111.2 | F60 M61 E67 R68 L71 | F60-L63 HydrophobicContact CB-CD1 4.18Å; F60-L63 VanDerWaalsContact O-CB 3.29Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.4Å; M61-L63 VanDerWaalsContact C-N 3.27Å; L63-E67 HydrophobicContact CB-CB 4.12Å; L63-R68 HydrophobicContact CB-CG 3.9Å; L63-R68 PolarHBondContact O-NE 3.22Å; L63-R68 PolarHBondContact O-NH2 3Å; L63-L71 HydrophobicContact CD1-CD1 3.83Å |
| 64 | P | 88 | Confident | 77.6 | Confident | 77 Ų | 77 | 113.6 Ų | 113.6 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | | | trans | -49.7 | 147.3 | 166.5 | -26.6 | 34.2 | 0 | 0 | 0 | 112 | R66 E67 R68 | P64-R66 PolarHBondContact O-N 3.05Å; P64-R66 VanDerWaalsContact O-N 3.09Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 PolarHBondContact O-N 2.92Å; P64-R68 PolarHBondContact O-N 3.16Å |
| 65 | V | 80.6 | Confident | 77 | Confident | 84 Ų | 84 | 109.8 Ų | 109.8 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -54 | -37.5 | -176.1 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | E67 R69 | V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 3.2Å; V65-R69 WeakPolarHBondContact O-CG 3.29Å; V65-R69 PolarHBondContact O-N 2.89Å |
| 66 | R | 82.4 | Confident | 75.8 | Confident | 207 Ų | 207 | 103.9 Ų | 103.9 | 78% | 0.781 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.2 | -38.3 | 177.3 | -175.8 | -175.9 | -68.5 | 176.5 | -1.2 | 112 | P64 | P64-R66 PolarHBondContact O-N 3.05Å; P64-R66 VanDerWaalsContact O-N 3.09Å |
| 67 | E | 82.3 | Confident | 74.7 | Confident | 94 Ų | 94 | 108.5 Ų | 108.5 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -79.5 | -41.2 | -178.3 | -68.3 | -178.2 | 177.8 | 0 | 0 | 111.4 | L63 P64 V65 R69 K70 | L63-E67 HydrophobicContact CB-CB 4.12Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 PolarHBondContact O-N 2.92Å; V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 3.2Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.46Å; E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å |
| 68 | R | 82.1 | Confident | 73.5 | Confident | 64 Ų | 64 | 108.3 Ų | 108.3 | 24% | 0.242 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -54.5 | -43.5 | 172.9 | -80.1 | -172.1 | -93.4 | -173.5 | -4.7 | 113.4 | F60 M61 L63 P64 K70 L71 F72 | F60-R68 HydrophobicContact CD2-CG 4.37Å; F60-R68 WeakPolarHBondContact O-CD 3.33Å; F60-R68 WeakPolarHBondContact O-CG 3.42Å; M61-R68 PolarHBondContact O-NH1 3.09Å; M61-R68 PolarHBondContact SD-NH1 3.05Å; L63-R68 HydrophobicContact CB-CG 3.9Å; L63-R68 PolarHBondContact O-NE 3.22Å; L63-R68 PolarHBondContact O-NH2 3Å; P64-R68 PolarHBondContact O-N 3.16Å; R68-K70 PolarHBondContact O-N 3.35Å; R68-L71 WeakPolarHBondContact O-CB 3.38Å; R68-L71 PolarHBondContact O-N 3.11Å; R68-F72 WeakPolarHBondContact O-CD2 3.41Å |
| 69 | R | 75.9 | Confident | 72 | Confident | 170 Ų | 170 | 106.7 Ų | 106.7 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.5 | -30.8 | 179.4 | -75.1 | 178.3 | -178.8 | -177.5 | 0.5 | 112.1 | V65 E67 L71 F72 L73 | V65-R69 WeakPolarHBondContact O-CG 3.29Å; V65-R69 PolarHBondContact O-N 2.89Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.46Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.98Å; R69-F72 PolarHBondContact O-N 3.48Å; R69-L73 WeakPolarHBondContact O-CB 3.12Å; R69-L73 WeakPolarHBondContact O-CD1 3.12Å; R69-L73 PolarHBondContact O-N 3.3Å |
| 70 | K | 80.3 | Confident | 70.2 | Confident | 144 Ų | 144 | 107.5 Ų | 107.5 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.9 | -25 | 176.9 | -60.5 | -179.7 | 178.6 | -177.9 | 0 | 113.1 | E67 R68 | E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å; R68-K70 PolarHBondContact O-N 3.35Å |
| 71 | L | 76.3 | Confident | 68.4 | Low | 100 Ų | 100 | 112 Ų | 112 | 52% | 0.524 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.3 | -33.5 | 176.3 | -58.9 | 175.6 | 0 | 0 | 0 | 111.7 | F60 L63 R68 R69 | F60-L71 HydrophobicContact CB-CD1 3.41Å; F60-L71 VanDerWaalsContact CB-CD1 3.41Å; F60-L71 HydrophobicContact CG-CD1 4.27Å; L63-L71 HydrophobicContact CD1-CD1 3.83Å; R68-L71 WeakPolarHBondContact O-CB 3.38Å; R68-L71 PolarHBondContact O-N 3.11Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.98Å |
| 72 | F | 74.3 | Confident | 66.7 | Low | 149 Ų | 149 | 115.1 Ų | 115.1 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -88 | -25.1 | 177.7 | -58.5 | -72.4 | 0 | 0 | 0 | 113.1 | F60 R68 R69 G74 | F60-F72 HydrophobicContact CD2-CZ 4.34Å; F60-F72 AromaticContact CE2-CZ 3.95Å; F60-F72 HydrophobicContact CE2-CZ 3.95Å; R68-F72 WeakPolarHBondContact O-CD2 3.41Å; R69-F72 PolarHBondContact O-N 3.48Å; F72-G74 PolarHBondContact O-N 2.92Å |
| 73 | L | 67.2 | Low | 64.4 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -80.6 | 76.3 | 166.1 | -85.9 | 71.8 | 0 | 0 | 0 | 106.9 | R69 G75 | R69-L73 WeakPolarHBondContact O-CB 3.12Å; R69-L73 WeakPolarHBondContact O-CD1 3.12Å; R69-L73 PolarHBondContact O-N 3.3Å; L73-G75 PolarHBondContact O-N 3.34Å; L73-G75 VanDerWaalsContact O-N 3.08Å |
| 74 | G | 54.2 | Low | 62.1 | Low | 55 Ų | 55 | 118.1 Ų | 118.1 | 57% | 0.567 | 64% | 0.637 | S | S | * | * | | | trans | -45 | 123.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | F72 G76 | F72-G74 PolarHBondContact O-N 2.92Å; G74-G76 PolarHBondContact O-N 3.49Å; G74-G76 VanDerWaalsContact O-O 3.12Å |
| 75 | G | 52.9 | Low | 59.9 | Low | 92 Ų | 92 | 124 Ų | 124 | 95% | 0.948 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -64.1 | 11.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L73 | L73-G75 PolarHBondContact O-N 3.34Å; L73-G75 VanDerWaalsContact O-N 3.08Å |
| 76 | G | 46.4 | Very low | 57.9 | Low | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -77.8 | 131 | 166 | 0 | 0 | 0 | 0 | 0 | 109.1 | G74 | G74-G76 PolarHBondContact O-N 3.49Å; G74-G76 VanDerWaalsContact O-O 3.12Å |
| 77 | Q | 49.1 | Very low | 55.9 | Low | 175 Ų | 175 | 126 Ų | 126 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | | | trans | -33.7 | 130.4 | 165.5 | -171 | 172.1 | 1.2 | 0 | 0 | 109.9 | | |
| 78 | P | 51.1 | Low | 53.8 | Low | 106 Ų | 106 | 125.7 Ų | 125.7 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | | | trans | -48.6 | 132.9 | 179 | 21.3 | -32.7 | 0 | 0 | 0 | 107.1 | S80 | P78-S80 PolarHBondContact O-N 3.45Š|
| 79 | P | 49.3 | Very low | 52.2 | Low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | | | trans | -49.5 | 111 | -177.3 | 17.6 | -29.4 | 0 | 0 | 0 | 106.1 | I81 | P79-I81 PolarHBondContact O-N 3.28Š|
| 80 | S | 46.6 | Very low | 50.3 | Low | 79 Ų | 79 | 128.6 Ų | 128.6 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | | | trans | -56.5 | 119.8 | 175.3 | 77.4 | 0 | 0 | 0 | 0 | 102.3 | P78 Q82 | P78-S80 PolarHBondContact O-N 3.45Å; S80-Q82 PolarHBondContact O-N 2.97Å; S80-Q82 WeakPolarHBondContact OG-CG 3.01Å |
| 81 | I | 44.6 | Very low | 48.1 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | -67.2 | 82.7 | 172 | -57.4 | 170.9 | 0 | 0 | 0 | 103.1 | P79 R83 | P79-I81 PolarHBondContact O-N 3.28Å; I81-R83 HydrophobicContact CG2-CG 3.85Å; I81-R83 PolarHBondContact O-N 3.2Å |
| 82 | Q | 43.9 | Very low | 46.6 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | trans | -59 | 97.9 | 155 | -67.8 | -175.1 | -0.7 | 0 | 0 | 101.3 | S80 G84 | S80-Q82 PolarHBondContact O-N 2.97Å; S80-Q82 WeakPolarHBondContact OG-CG 3.01Å; Q82-G84 PolarHBondContact O-N 2.84Å |
| 83 | R | 41 | Very low | 44.8 | Very low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | | | trans | -65.2 | 48.4 | 156.9 | -70.1 | -174.9 | 172.1 | -128.4 | 3 | 107.8 | I81 Y85 | I81-R83 HydrophobicContact CG2-CG 3.85Å; I81-R83 PolarHBondContact O-N 3.2Å; R83-Y85 VanDerWaalsContact C-N 3.28Å; R83-Y85 WeakPolarHBondContact O-CD2 3.29Å; R83-Y85 PolarHBondContact O-N 3.41Å |
| 84 | G | 35.9 | Very low | 43.3 | Very low | 49 Ų | 49 | 138 Ų | 138 | 51% | 0.505 | 75% | 0.754 | S | S | . | * | | | trans | -74.8 | 93.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 104.7 | Q82 L86 | Q82-G84 PolarHBondContact O-N 2.84Å; G84-L86 PolarHBondContact O-N 3.33Å |
| 85 | Y | 41.7 | Very low | 42.6 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -12.6 | 107.1 | 144.8 | -56.7 | -94.7 | 0 | 0 | 0 | 110.7 | R83 | R83-Y85 VanDerWaalsContact C-N 3.28Å; R83-Y85 WeakPolarHBondContact O-CD2 3.29Å; R83-Y85 PolarHBondContact O-N 3.41Å |
| 86 | L | 38.8 | Very low | 41.7 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | trans | 172.1 | -2.3 | 150.8 | -92.9 | 152.8 | 0 | 0 | 0 | 117 | G84 | G84-L86 PolarHBondContact O-N 3.33Š|
| 87 | H | 39.6 | Very low | 41.2 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -119 | 27.5 | -179.5 | -59.9 | 94.4 | 0 | 0 | 0 | 115.7 | L89 | H87-L89 PolarHBondContact O-N 2.87Š|
| 88 | S | 38.4 | Very low | 40.8 | Very low | 89 Ų | 89 | 150.1 Ų | 150.1 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | trans | -73.7 | 119.1 | 156.7 | 58.5 | 0 | 0 | 0 | 0 | 107.9 | T90 | S88-T90 PolarHBondContact O-N 3.12Š|
| 89 | L | 48.2 | Very low | 39.9 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 97% | 0.974 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -61.5 | 17.7 | 170.8 | -70.1 | 167.1 | 0 | 0 | 0 | 113.7 | H87 | H87-L89 PolarHBondContact O-N 2.87Š|
| 90 | T | 35.8 | Very low | 39.1 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -113.2 | 110.1 | 177.7 | -44.9 | 0 | 0 | 0 | 0 | 106.5 | S88 | S88-T90 PolarHBondContact O-N 3.12Š|
| 91 | M | 35.7 | Very low | 38.7 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -47 | 129.4 | -179.7 | -70.6 | -120.9 | 166.1 | 0 | 0 | 111 | R93 | M91-R93 PolarHBondContact O-N 3.13Š|
| 92 | P | 44.6 | Very low | 38.3 | Very low | 122 Ų | 122 | 159 Ų | 159 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -60.1 | 115.1 | 179 | -12.9 | 21.5 | 0 | 0 | 0 | 109.8 | K94 | P92-K94 PolarHBondContact O-N 2.71Š|
| 93 | R | 36.4 | Very low | 37.9 | Very low | 229 Ų | 229 | 158.1 Ų | 158.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -62.4 | 117.6 | 168.7 | 177 | 179.9 | -88.4 | 172.6 | -7.2 | 107.4 | M91 R95 | M91-R93 PolarHBondContact O-N 3.13Å; R93-R95 PolarHBondContact O-N 3.05Å |
| 94 | K | 34.9 | Very low | 37.8 | Very low | 191 Ų | 191 | 157.9 Ų | 157.9 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | -46 | 102.9 | 173.9 | -164.3 | -177.7 | -174.7 | -174.8 | 0 | 109 | P92 | P92-K94 PolarHBondContact O-N 2.71Š|
| 95 | R | 40.7 | Very low | 38 | Very low | 228 Ų | 228 | 165.8 Ų | 165.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -86.7 | 113.7 | 171.1 | -77.6 | -173.8 | 176.3 | -176.6 | -1.1 | 105.6 | R93 D97 | R93-R95 PolarHBondContact O-N 3.05Å; R95-D97 PolarHBondContact O-N 3.32Å |
| 96 | N | 33.5 | Very low | 37.9 | Very low | 124 Ų | 124 | 164.2 Ų | 164.2 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | | | trans | -49.9 | 137.5 | 169.8 | -70.2 | -15.2 | 0 | 0 | 0 | 109 | V98 | N96-V98 PolarHBondContact O-N 3.39Š|
| 97 | D | 35.4 | Very low | 37.9 | Very low | 164 Ų | 164 | 163.2 Ų | 163.2 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -63.1 | 78 | -178 | -55.3 | -65 | 0 | 0 | 0 | 110.5 | R95 N99 | R95-D97 PolarHBondContact O-N 3.32Å; D97-N99 PolarHBondContact O-N 3.02Å |
| 98 | V | 39.8 | Very low | 37.8 | Very low | 118 Ų | 118 | 162 Ų | 162 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | trans | -92.8 | 91.5 | 172.9 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | N96 | N96-V98 PolarHBondContact O-N 3.39Š|
| 99 | N | 34.1 | Very low | 38 | Very low | 141 Ų | 141 | 162.7 Ų | 162.7 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | 58.3 | 100.1 | 152.7 | -61.7 | -40.5 | 0 | 0 | 0 | 116.7 | D97 | D97-N99 PolarHBondContact O-N 3.02Š|
| 100 | N | 31.4 | Very low | 37.6 | Very low | 139 Ų | 139 | 162 Ų | 162 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -36.1 | 157.1 | 141.4 | -80.2 | -18.9 | 0 | 0 | 0 | 111.9 | | |
| 101 | F | 37.7 | Very low | 37.4 | Very low | 176 Ų | 176 | 167.4 Ų | 167.4 | 77% | 0.772 | 80% | 0.796 | S | S | * | * | | | trans | 85.1 | 55.5 | 178.8 | -41.1 | -67.2 | 0 | 0 | 0 | 115.8 | | |
| 102 | H | 36.4 | Very low | 37.2 | Very low | 182 Ų | 182 | 162 Ų | 162 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -124.2 | 98.7 | 135.2 | -85.7 | 71.1 | 0 | 0 | 0 | 107.3 | R104 | H102-R104 PolarHBondContact O-N 3.23Š|
| 103 | N | 35.9 | Very low | 36.5 | Very low | 144 Ų | 144 | 158.5 Ų | 158.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -47.2 | 89.2 | 161.2 | -64.7 | -34.9 | 0 | 0 | 0 | 107.3 | Y105 | N103-Y105 VanDerWaalsContact C-N 3.26Å; N103-Y105 PolarHBondContact O-N 3.46Å |
| 104 | R | 37.9 | Very low | 36.6 | Very low | 215 Ų | 215 | 154 Ų | 154 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -65.3 | 104.6 | 163.5 | -84.3 | -175.6 | -170 | 162 | 6.1 | 103.4 | H102 E106 | H102-R104 PolarHBondContact O-N 3.23Å; R104-E106 PolarHBondContact O-N 3.31Å |
| 105 | Y | 41.2 | Very low | 36.8 | Very low | 216 Ų | 216 | 149.1 Ų | 149.1 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | | | trans | -25.8 | 108.8 | 159.8 | -65.4 | -83.4 | 0 | 0 | 0 | 107.6 | N103 T107 | N103-Y105 VanDerWaalsContact C-N 3.26Å; N103-Y105 PolarHBondContact O-N 3.46Å; Y105-T107 PolarHBondContact O-N 3.24Å |
| 106 | E | 40.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | -51.4 | 100.7 | 166.4 | -70.1 | 174.1 | 161 | 0 | 0 | 104.2 | R104 Q108 | R104-E106 PolarHBondContact O-N 3.31Å; E106-Q108 PolarHBondContact O-N 3.4Å |
| 107 | T | 38.1 | Very low | 37.5 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | | | trans | -64 | 91.5 | 160.2 | 48.6 | 0 | 0 | 0 | 0 | 102.3 | Y105 S109 | Y105-T107 PolarHBondContact O-N 3.24Å; T107-S109 PolarHBondContact O-N 3.23Å |
| 108 | Q | 38 | Very low | 37.8 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | -57.5 | 88.3 | 160.9 | -64.2 | -166.8 | 4 | 0 | 0 | 103.9 | E106 E110 | E106-Q108 PolarHBondContact O-N 3.4Å; Q108-E110 PolarHBondContact O-N 3.48Å |
| 109 | S | 42.7 | Very low | 37.7 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | trans | -59 | 99.6 | 159.8 | 49 | 0 | 0 | 0 | 0 | 102.4 | T107 Y111 | T107-S109 PolarHBondContact O-N 3.23Å; S109-Y111 VanDerWaalsContact C-N 3.26Å; S109-Y111 PolarHBondContact O-N 3.09Å |
| 110 | E | 40.1 | Very low | 38 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | | | trans | -47.5 | 104.7 | 176.1 | -75 | 176.4 | 177 | 0 | 0 | 106.2 | Q108 | Q108-E110 PolarHBondContact O-N 3.48Š|
| 111 | Y | 30.8 | Very low | 38.4 | Very low | 220 Ų | 220 | 148 Ų | 148 | 86% | 0.863 | 74% | 0.744 | S | S | * | * | | | trans | -49.8 | 135.7 | 175.7 | -177.6 | -95.9 | 0 | 0 | 0 | 107 | S109 G113 | S109-Y111 VanDerWaalsContact C-N 3.26Å; S109-Y111 PolarHBondContact O-N 3.09Å; Y111-G113 VanDerWaalsContact C-N 3.28Å; Y111-G113 PolarHBondContact O-N 3.37Å |
| 112 | G | 31.8 | Very low | 38.5 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | | | trans | -32.3 | 90 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T114 | G112-T114 PolarHBondContact O-N 2.83Š|
| 113 | G | 30.1 | Very low | 38.7 | Very low | 47 Ų | 47 | 139 Ų | 139 | 49% | 0.485 | 73% | 0.725 | S | S | . | * | | | trans | -66 | 122.6 | 163 | 0 | 0 | 0 | 0 | 0 | 104.6 | Y111 D115 | Y111-G113 VanDerWaalsContact C-N 3.28Å; Y111-G113 PolarHBondContact O-N 3.37Å; G113-D115 WeakPolarHBondContact CA-OD1 3.45Å; G113-D115 PolarHBondContact O-N 3.01Å |
| 114 | T | 38 | Very low | 38.9 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 71% | 0.712 | S | S | * | * | | | trans | -70 | 35.1 | 157.8 | 41.8 | 0 | 0 | 0 | 0 | 110 | G112 N116 | G112-T114 PolarHBondContact O-N 2.83Å; T114-N116 PolarHBondContact O-N 2.88Å |
| 115 | D | 39.8 | Very low | 38.7 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 47% | 0.471 | 70% | 0.697 | S | S | . | * | | | trans | -75.9 | 105.4 | 170 | 58.6 | -36.4 | 0 | 0 | 0 | 106.6 | G113 N117 | G113-D115 WeakPolarHBondContact CA-OD1 3.45Å; G113-D115 PolarHBondContact O-N 3.01Å; D115-N117 PolarHBondContact O-N 2.98Å |
| 116 | N | 41.9 | Very low | 38.3 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 23 | -179.6 | -65.9 | -50.1 | 0 | 0 | 0 | 115 | T114 | T114-N116 PolarHBondContact O-N 2.88Š|
| 117 | N | 46.1 | Very low | 38.1 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 60% | 0.599 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -12.5 | -176.6 | -74.5 | 2.7 | 0 | 0 | 0 | 113.8 | D115 G119 | D115-N117 PolarHBondContact O-N 2.98Å; N117-G119 PolarHBondContact O-N 3.14Å |
| 118 | F | 42.7 | Very low | 37.9 | Very low | 178 Ų | 178 | 119.8 Ų | 119.8 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -93.7 | 34.9 | 166.2 | -72.2 | -79 | 0 | 0 | 0 | 111.9 | W120 | F118-W120 PolarHBondContact O-N 2.91Å; F118-W120 VanDerWaalsContact O-N 3.1Å |
| 119 | G | 36.7 | Very low | 38.1 | Very low | 48 Ų | 48 | 113.8 Ų | 113.8 | 50% | 0.495 | 63% | 0.627 | S | S | . | * | | | trans | -56.1 | 119.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N117 D121 | N117-G119 PolarHBondContact O-N 3.14Å; G119-D121 PolarHBondContact O-N 3.05Å; G119-D121 VanDerWaalsContact O-N 3.16Å |
| 120 | W | 39.8 | Very low | 37.4 | Very low | 251 Ų | 251 | 117.6 Ų | 117.6 | 95% | 0.951 | 63% | 0.625 | S | S | * | * | | | trans | -38.2 | 124.6 | 160.9 | -68.8 | 89.4 | 0 | 0 | 0 | 108.3 | F118 A122 | F118-W120 PolarHBondContact O-N 2.91Å; F118-W120 VanDerWaalsContact O-N 3.1Å; W120-A122 PolarHBondContact O-N 3.13Å |
| 121 | D | 40.5 | Very low | 37.2 | Very low | 157 Ų | 157 | 114.3 Ų | 114.3 | 84% | 0.84 | 61% | 0.61 | S | S | * | * | | | trans | -41.4 | 130.1 | -177.9 | -74.1 | -46 | 0 | 0 | 0 | 109.9 | G119 | G119-D121 PolarHBondContact O-N 3.05Å; G119-D121 VanDerWaalsContact O-N 3.16Å |
| 122 | A | 40.9 | Very low | 37.4 | Very low | 60 Ų | 60 | 110.1 Ų | 110.1 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | | | trans | -51.2 | 142.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | W120 I124 | W120-A122 PolarHBondContact O-N 3.13Å; A122-I124 PolarHBondContact O-N 3.26Å |
| 123 | P | 39.7 | Very low | 37.4 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 71% | 0.714 | 60% | 0.6 | S | S | * | * | | | trans | -54.3 | 112.3 | -179.4 | 20.4 | -31.2 | 0 | 0 | 0 | 109.8 | T125 | P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.09Å |
| 124 | I | 40.3 | Very low | 37.6 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | | | trans | -73.8 | 104.4 | -178.9 | -49.1 | 176.3 | 0 | 0 | 0 | 107.5 | A122 W355 | A122-I124 PolarHBondContact O-N 3.26Å; I124-W355 HydrophobicContact CB-CE3 4.18Å; I124-W355 HydrophobicContact CG2-CB 3.99Å; I124-W355 HydrophobicContact CG2-CD2 4.28Å; I124-W355 HydrophobicContact CG2-CE3 3.54Å; I124-W355 HydrophobicContact CG2-CZ3 4.36Å |
| 125 | T | 33.5 | Very low | 37.4 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | | | trans | -76.9 | 125.5 | 174.6 | -15.4 | 0 | 0 | 0 | 0 | 109.3 | P123 T127 | P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.09Å; T125-T127 PolarHBondContact O-N 2.67Å |
| 126 | P | 32.5 | Very low | 37.1 | Very low | 56 Ų | 56 | 118 Ų | 118 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65 | 124.3 | 174 | 26.9 | -32.8 | 0 | 0 | 0 | 109.5 | Q353 W355 | P126-Q353 HydrophobicContact CB-CG 4.02Å; P126-Q353 VanDerWaalsContact CB-NE2 3.28Å; P126-W355 HydrophobicContact CB-CE3 4.16Å; P126-W355 HydrophobicContact CB-CH2 4.19Å; P126-W355 HydrophobicContact CB-CZ3 3.8Å; P126-W355 HydrophobicContact CG-CZ3 4.25Å |
| 127 | T | 35.7 | Very low | 36.7 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.3 | 172.5 | 22.7 | 0 | 0 | 0 | 0 | 109.5 | T125 A129 I354 | T125-T127 PolarHBondContact O-N 2.67Å; T127-A129 PolarHBondContact O-N 3.14Å; T127-I354 PolarHBondContact N-O 2.93Å; T127-I354 PolarHBondContact O-N 2.77Å |
| 128 | W | 34.2 | Very low | 36.1 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 63% | 0.629 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 111.6 | 176.3 | -61.7 | 96.6 | 0 | 0 | 0 | 108.6 | Q353 | W128-Q353 HydrophobicContact CE3-CB 4.35Å; W128-Q353 HydrophobicContact CH2-CB 4.22Å; W128-Q353 HydrophobicContact CZ3-CB 3.96Å |
| 129 | A | 42.6 | Very low | 35.3 | Very low | 32 Ų | 32 | 115.2 Ų | 115.2 | 26% | 0.264 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 130 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | T127 E131 I354 | T127-A129 PolarHBondContact O-N 3.14Å; A129-E131 PolarHBondContact O-N 2.71Å; A129-I354 HydrophobicContact CB-CD1 3.68Å; A129-I354 HydrophobicContact CB-CG1 4.26Å |
| 130 | R | 28.5 | Very low | 35.1 | Very low | 183 Ų | 183 | 119 Ų | 119 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 106 | 169.5 | -175.8 | -174.3 | -97.7 | -156.5 | -4 | 107.6 | I349 | R130-I349 HydrophobicContact CG-CG2 4.28Å |
| 131 | E | 34.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 61% | 0.614 | S | S | . | * | | | trans | -103.9 | 121.8 | 175.2 | -155.9 | 179.2 | -152.1 | 0 | 0 | 108.8 | A129 R133 | A129-E131 PolarHBondContact O-N 2.71Å; E131-R133 PolarHBondContact O-N 2.83Å |
| 132 | N | 34.6 | Very low | 34.1 | Very low | 132 Ų | 132 | 115 Ų | 115 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | | | trans | -89 | 102.1 | 177.6 | -68.4 | -27.1 | 0 | 0 | 0 | 108.7 | | |
| 133 | R | 31.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 116.2 Ų | 116.2 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 119.7 | 164.2 | -87.2 | -176.3 | 175.3 | -165.2 | -4.7 | 109.3 | E131 T135 | E131-R133 PolarHBondContact O-N 2.83Å; R133-T135 PolarHBondContact O-N 2.84Å |
| 134 | S | 36 | Very low | 32.9 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -71 | 122.2 | 160 | 65.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 135 | T | 33.7 | Very low | 32.3 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 51% | 0.509 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -100 | 123.5 | 166 | 51.5 | 0 | 0 | 0 | 0 | 106.5 | R133 T137 | R133-T135 PolarHBondContact O-N 2.84Å; T135-T137 PolarHBondContact O-N 2.86Å |
| 136 | N | 32.3 | Very low | 32 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 77% | 0.765 | 65% | 0.646 | S | S | * | * | | | trans | -72.3 | 111.1 | 166.5 | -74.4 | -19.3 | 0 | 0 | 0 | 106.5 | S138 | N136-S138 PolarHBondContact O-N 3.41Š|
| 137 | T | 34.8 | Very low | 31.9 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | | | trans | -66.3 | 74.2 | 168.5 | 28 | 0 | 0 | 0 | 0 | 109.1 | T135 | T135-T137 PolarHBondContact O-N 2.86Š|
| 138 | S | 32.7 | Very low | 31.4 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | | | trans | -79.4 | 128.8 | 147.2 | 39.1 | 0 | 0 | 0 | 0 | 105.6 | N136 | N136-S138 PolarHBondContact O-N 3.41Š|
| 139 | E | 25.9 | Very low | 31.1 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 68% | 0.675 | S | S | * | * | | | trans | -44.2 | 144.6 | 167.8 | -71.1 | -169.3 | 154.1 | 0 | 0 | 109.1 | V141 | E139-V141 PolarHBondContact O-N 3.25Š|
| 140 | P | 32 | Very low | 30.3 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 69% | 0.692 | S | S | * | * | | | trans | -64.1 | 85.7 | 179.6 | 27.4 | -33.7 | 0 | 0 | 0 | 109 | K142 | P140-K142 PolarHBondContact O-N 3.46Å; P140-K142 VanDerWaalsContact O-N 3.16Å |
| 141 | V | 30.9 | Very low | 30.1 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 67% | 0.673 | 69% | 0.693 | S | S | * | * | | | trans | -55.3 | 124.5 | 155.5 | -174 | 0 | 0 | 0 | 0 | 103.2 | E139 S143 | E139-V141 PolarHBondContact O-N 3.25Å; V141-S143 WeakPolarHBondContact CG1-OG 3.19Å; V141-S143 PolarHBondContact O-N 3.27Å |
| 142 | K | 28.5 | Very low | 29.7 | Very low | 213 Ų | 213 | 130 Ų | 130 | 93% | 0.926 | 70% | 0.704 | S | S | * | * | | | trans | -65.4 | 58 | 171.3 | -72.3 | 175.6 | 175.7 | 176.5 | 0 | 109.1 | P140 R144 | P140-K142 PolarHBondContact O-N 3.46Å; P140-K142 VanDerWaalsContact O-N 3.16Å; K142-R144 PolarHBondContact O-N 3.09Å |
| 143 | S | 28.3 | Very low | 29.5 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | | | trans | -83.2 | 99.7 | 173.8 | -65.3 | 0 | 0 | 0 | 0 | 105.3 | V141 S145 | V141-S143 WeakPolarHBondContact CG1-OG 3.19Å; V141-S143 PolarHBondContact O-N 3.27Å; S143-S145 PolarHBondContact O-N 2.8Å |
| 144 | R | 27.1 | Very low | 29.4 | Very low | 246 Ų | 246 | 124.9 Ų | 124.9 | 93% | 0.928 | 71% | 0.706 | S | S | * | * | | | trans | -44.9 | 81 | 161.1 | 177.7 | -179 | 159.8 | -164.8 | -3.9 | 109.3 | K142 | K142-R144 PolarHBondContact O-N 3.09Š|
| 145 | S | 27.7 | Very low | 29.3 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | | | trans | -112.4 | 104.6 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | S143 K147 | S143-S145 PolarHBondContact O-N 2.8Å; S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 3.45Å |
| 146 | T | 27.5 | Very low | 29.1 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | | | trans | -60.7 | 95.5 | 169.7 | -27.7 | 0 | 0 | 0 | 0 | 107.2 | T148 | T146-T148 PolarHBondContact O-N 2.76Š|
| 147 | K | 29.9 | Very low | 29.1 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | -76.2 | 94.9 | 176.4 | -78.4 | -172.5 | 176.2 | -178.2 | 0 | 108.9 | S145 F149 | S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 3.45Å; K147-F149 PolarHBondContact O-N 3.35Å |
| 148 | T | 24.9 | Very low | 28.7 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 123.4 | 167.3 | -40.8 | 0 | 0 | 0 | 0 | 108.5 | T146 | T146-T148 PolarHBondContact O-N 2.76Š|
| 149 | F | 29.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 54% | 0.535 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -100.6 | 125.2 | 167.4 | 50.1 | -88 | 0 | 0 | 0 | 108.4 | K147 L151 | K147-F149 PolarHBondContact O-N 3.35Å; F149-L151 HydrophobicContact CD2-CD1 4.09Å; F149-L151 HydrophobicContact CE2-CD1 4.11Å |
| 150 | S | 25.1 | Very low | 28.6 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -93 | 116.9 | 172.9 | 44.2 | 0 | 0 | 0 | 0 | 109 | S152 | S150-S152 PolarHBondContact O-N 2.93Š|
| 151 | L | 24.7 | Very low | 28.3 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | trans | -78 | 100.2 | 166.2 | -76 | 119.2 | 0 | 0 | 0 | 108.1 | F149 T153 | F149-L151 HydrophobicContact CD2-CD1 4.09Å; F149-L151 HydrophobicContact CE2-CD1 4.11Å; L151-T153 PolarHBondContact O-N 2.94Å |
| 152 | S | 26.6 | Very low | 28 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | trans | -85.2 | 106.6 | 168.9 | 62.4 | 0 | 0 | 0 | 0 | 109.2 | S150 G154 | S150-S152 PolarHBondContact O-N 2.93Å; S152-G154 PolarHBondContact O-N 3.09Å; S152-G154 VanDerWaalsContact O-N 3.09Å |
| 153 | T | 29.4 | Very low | 27.8 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 91% | 0.908 | 74% | 0.741 | S | S | * | * | | | trans | -81.8 | 61.6 | 162.7 | 54.3 | 0 | 0 | 0 | 0 | 108.6 | L151 | L151-T153 PolarHBondContact O-N 2.94Š|
| 154 | G | 30.2 | Very low | 27.7 | Very low | 46 Ų | 46 | 141.8 Ų | 141.8 | 47% | 0.474 | 75% | 0.747 | S | S | . | * | | | trans | -113.3 | 136.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S152 S156 | S152-G154 PolarHBondContact O-N 3.09Å; S152-G154 VanDerWaalsContact O-N 3.09Å; G154-S156 PolarHBondContact O-N 3.2Å |
| 155 | P | 33.3 | Very low | 27.7 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | trans | -56.8 | 134.9 | 172.1 | 25.1 | -31.6 | 0 | 0 | 0 | 108.4 | E157 | P155-E157 PolarHBondContact O-N 3.12Š|
| 156 | S | 29.7 | Very low | 27.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | trans | -50.8 | 101.4 | -173.9 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | G154 K158 | G154-S156 PolarHBondContact O-N 3.2Å; S156-K158 PolarHBondContact O-N 3.05Å |
| 157 | E | 31.3 | Very low | 27.5 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | | | trans | -61.9 | 121.4 | 164.2 | -73.4 | -176.7 | 170.9 | 0 | 0 | 107.2 | P155 S159 | P155-E157 PolarHBondContact O-N 3.12Å; E157-S159 PolarHBondContact O-N 3.03Å; E157-S159 VanDerWaalsContact O-N 3.16Å |
| 158 | K | 27.2 | Very low | 27.3 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -47.2 | 123.1 | 177.9 | -69.6 | 171.2 | 177.8 | 175.3 | 0 | 108.2 | S156 F160 | S156-K158 PolarHBondContact O-N 3.05Å; K158-F160 PolarHBondContact O-N 3.42Å |
| 159 | S | 29.5 | Very low | 27.4 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -49.5 | 109 | 174.6 | 6.7 | 0 | 0 | 0 | 0 | 108.8 | E157 Q161 | E157-S159 PolarHBondContact O-N 3.03Å; E157-S159 VanDerWaalsContact O-N 3.16Å; S159-Q161 PolarHBondContact O-N 2.77Å |
| 160 | F | 26.2 | Very low | 27.4 | Very low | 207 Ų | 207 | 137.4 Ų | 137.4 | 91% | 0.908 | 76% | 0.758 | S | S | * | * | | | trans | -59.8 | 104.3 | 169.7 | -127.4 | -96.9 | 0 | 0 | 0 | 106.1 | K158 Q162 | K158-F160 PolarHBondContact O-N 3.42Å; F160-Q162 VanDerWaalsContact C-N 3.27Å; F160-Q162 PolarHBondContact O-N 2.89Å |
| 161 | Q | 25.5 | Very low | 27.8 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | -67.4 | 94.9 | 171 | -78.7 | -164.9 | -18.7 | 0 | 0 | 106.9 | S159 Q163 | S159-Q161 PolarHBondContact O-N 2.77Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 2.89Å |
| 162 | Q | 25.4 | Very low | 28.3 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | -66.2 | 96.9 | 166.7 | -158 | 172.5 | 14.5 | 0 | 0 | 106.1 | F160 F164 | F160-Q162 VanDerWaalsContact C-N 3.27Å; F160-Q162 PolarHBondContact O-N 2.89Å; Q162-F164 HydrophobicContact CB-CE2 4.32Å; Q162-F164 WeakPolarHBondContact O-CD2 3.39Å; Q162-F164 PolarHBondContact O-N 3.33Å |
| 163 | Q | 23.6 | Very low | 28.4 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -62.9 | 100.9 | 172.9 | -71.1 | -179.1 | -34.2 | 0 | 0 | 107.3 | Q161 T165 | Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 2.89Å; Q163-T165 VanDerWaalsContact C-N 3.33Å; Q163-T165 PolarHBondContact O-N 3.45Å; Q163-T165 VanDerWaalsContact O-N 3.08Å |
| 164 | F | 27.7 | Very low | 28.7 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 74% | 0.737 | 76% | 0.762 | S | S | * | * | | | trans | -72.9 | 96.6 | 163.8 | -69.5 | -84.1 | 0 | 0 | 0 | 106.5 | Q162 Q166 | Q162-F164 HydrophobicContact CB-CE2 4.32Å; Q162-F164 WeakPolarHBondContact O-CD2 3.39Å; Q162-F164 PolarHBondContact O-N 3.33Å; F164-Q166 PolarHBondContact O-N 3.24Å |
| 165 | T | 26.8 | Very low | 28.6 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 61% | 0.613 | 79% | 0.785 | S | S | * | * | | | trans | -64.9 | 95.3 | 164.3 | -40.5 | 0 | 0 | 0 | 0 | 106.3 | Q163 Y167 | Q163-T165 VanDerWaalsContact C-N 3.33Å; Q163-T165 PolarHBondContact O-N 3.45Å; Q163-T165 VanDerWaalsContact O-N 3.08Å; T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 WeakPolarHBondContact O-CD2 3.34Å; T165-Y167 PolarHBondContact O-N 3.13Å |
| 166 | Q | 24 | Very low | 28.5 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -72 | 95 | 177.4 | -158.4 | 174.7 | 6.4 | 0 | 0 | 106.3 | F164 V168 | F164-Q166 PolarHBondContact O-N 3.24Å; Q166-V168 PolarHBondContact O-N 2.82Å |
| 167 | Y | 26.5 | Very low | 28.4 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | trans | -59.2 | 103.5 | 170.5 | -68.4 | -86.8 | 0 | 0 | 0 | 107.1 | T165 A169 | T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 WeakPolarHBondContact O-CD2 3.34Å; T165-Y167 PolarHBondContact O-N 3.13Å; Y167-A169 PolarHBondContact O-N 3.19Å |
| 168 | V | 26.1 | Very low | 28.4 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -57.9 | 115.6 | 168.4 | 176.4 | 0 | 0 | 0 | 0 | 105.3 | Q166 G170 | Q166-V168 PolarHBondContact O-N 2.82Å; V168-G170 PolarHBondContact O-N 3.34Å |
| 169 | A | 27.5 | Very low | 28.2 | Very low | 94 Ų | 94 | 149.8 Ų | 149.8 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -55.6 | 107.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y167 | Y167-A169 PolarHBondContact O-N 3.19Š|
| 170 | G | 28.9 | Very low | 28.4 | Very low | 58 Ų | 58 | 150.2 Ų | 150.2 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | | | trans | -57 | 150.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V168 | V168-G170 PolarHBondContact O-N 3.34Š|
| 171 | P | 34.5 | Very low | 29 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -54.2 | 144.7 | -178.3 | 21.9 | -32 | 0 | 0 | 0 | 111.1 | S173 | P171-S173 PolarHBondContact O-N 3.05Š|
| 172 | P | 34.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | -59.3 | 109.6 | -172.3 | 22.5 | -31.9 | 0 | 0 | 0 | 110.1 | | |
| 173 | S | 28.9 | Very low | 29.6 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | -68 | 143.3 | 175.7 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | P171 R175 | P171-S173 PolarHBondContact O-N 3.05Å; S173-R175 PolarHBondContact O-N 2.84Å |
| 174 | P | 36.5 | Very low | 29.8 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -59.3 | 133.4 | -173.7 | -22.4 | 32.7 | 0 | 0 | 0 | 112.2 | Y176 | P174-Y176 PolarHBondContact O-N 3.15Š|
| 175 | R | 27.6 | Very low | 29.9 | Very low | 251 Ų | 251 | 135 Ų | 135 | 95% | 0.947 | 77% | 0.774 | S | S | * | * | | | trans | -56.9 | 96.2 | 176.9 | -65.4 | -172.8 | 178.6 | -173.6 | -0 | 110.8 | S173 | S173-R175 PolarHBondContact O-N 2.84Š|
| 176 | Y | 30.7 | Very low | 29.9 | Very low | 210 Ų | 210 | 139.3 Ų | 139.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -94.1 | 113.6 | 159.7 | -91.8 | -86.2 | 0 | 0 | 0 | 109.4 | P174 Q178 | P174-Y176 PolarHBondContact O-N 3.15Å; Y176-Q178 PolarHBondContact O-N 2.76Å |
| 177 | N | 26.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -60.1 | 100.8 | 173.9 | -126.3 | -10.8 | 0 | 0 | 0 | 109.7 | | |
| 178 | Q | 31.8 | Very low | 30.2 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | -145.1 | 98.3 | 163.2 | -65.1 | -169.3 | 14 | 0 | 0 | 109.9 | Y176 | Y176-Q178 PolarHBondContact O-N 2.76Š|
| 179 | N | 23.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -67.6 | 173.7 | 150.1 | -70.9 | -29.1 | 0 | 0 | 0 | 108.6 | | |
| 180 | P | 33.5 | Very low | 30.6 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | | -114.6 | -159.1 | -50 | 39.2 | -21.4 | 0 | 0 | 0 | 108.4 | | |
| 181 | P | 37.9 | Very low | 30.6 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | cis | -133.7 | 178.4 | 1.2 | 39.6 | -18.6 | 0 | 0 | 0 | 116.3 | A183 | P181-A183 PolarHBondContact O-N 2.73Š|
| 182 | A | 30.6 | Very low | 30.4 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | | | trans | -58 | 115.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 183 | A | 32.7 | Very low | 30.2 | Very low | 82 Ų | 82 | 147.2 Ų | 147.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -105.3 | 107.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | P181 N185 | P181-A183 PolarHBondContact O-N 2.73Å; A183-N185 PolarHBondContact O-N 2.84Å; A183-N185 VanDerWaalsContact O-N 3.11Å |
| 184 | S | 27.7 | Very low | 30.5 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | -65.3 | 101.5 | 164.9 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 185 | N | 31 | Very low | 30.2 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -114.9 | 104.6 | 168.3 | -82 | -32.2 | 0 | 0 | 0 | 109.8 | A183 F187 | A183-N185 PolarHBondContact O-N 2.84Å; A183-N185 VanDerWaalsContact O-N 3.11Å; N185-F187 PolarHBondContact O-N 2.96Å |
| 186 | Y | 26.1 | Very low | 30.6 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -40.1 | 108.9 | 162 | -72.3 | -101 | 0 | 0 | 0 | 111.6 | | |
| 187 | F | 31.1 | Very low | 30.8 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | | | trans | -111.2 | 83.2 | 151.1 | -81.8 | -83.3 | 0 | 0 | 0 | 108 | N185 N189 | N185-F187 PolarHBondContact O-N 2.96Å; F187-N189 VanDerWaalsContact C-N 3.3Å; F187-N189 PolarHBondContact O-N 2.74Å |
| 188 | N | 27.1 | Very low | 31.3 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | -68.4 | 92.1 | 161.4 | -89.2 | -39.7 | 0 | 0 | 0 | 107.3 | V190 | N188-V190 VanDerWaalsContact C-N 3.31Å; N188-V190 PolarHBondContact O-N 3.31Å |
| 189 | N | 30.4 | Very low | 31.4 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -68.8 | 97.4 | 165 | -77.3 | -13.7 | 0 | 0 | 0 | 107.7 | F187 Q191 | F187-N189 VanDerWaalsContact C-N 3.3Å; F187-N189 PolarHBondContact O-N 2.74Å; N189-Q191 PolarHBondContact O-N 3.29Å |
| 190 | V | 30.7 | Very low | 31.6 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -59.5 | 99.3 | 170.6 | 179 | 0 | 0 | 0 | 0 | 107.4 | N188 P192 | N188-V190 VanDerWaalsContact C-N 3.31Å; N188-V190 PolarHBondContact O-N 3.31Å; V190-P192 WeakPolarHBondContact O-CD 3.42Å |
| 191 | Q | 28.5 | Very low | 31.5 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -66.6 | 122.7 | 172.4 | -129.2 | 180 | -4.7 | 0 | 0 | 108 | N189 K193 | N189-Q191 PolarHBondContact O-N 3.29Å; Q191-K193 PolarHBondContact O-N 3.38Å; Q191-K193 VanDerWaalsContact O-N 3.14Å |
| 192 | P | 30.1 | Very low | 31 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -63.8 | 119 | 178.4 | 22.5 | -30 | 0 | 0 | 0 | 109.7 | V190 S194 | V190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-S194 PolarHBondContact O-N 2.97Å |
| 193 | K | 31 | Very low | 30.8 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 81% | 0.809 | 75% | 0.753 | S | S | * | * | | | trans | -60.3 | 98.6 | 171.7 | -78 | 174.1 | 174 | 172.9 | 0 | 108.8 | Q191 N195 | Q191-K193 PolarHBondContact O-N 3.38Å; Q191-K193 VanDerWaalsContact O-N 3.14Å; K193-N195 PolarHBondContact O-N 3.41Å |
| 194 | S | 34.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | -71.3 | 84 | 164.4 | 50.6 | 0 | 0 | 0 | 0 | 109 | P192 N196 | P192-S194 PolarHBondContact O-N 2.97Å; S194-N196 PolarHBondContact O-N 3.3Å; S194-N196 VanDerWaalsContact O-N 3.09Å |
| 195 | N | 31.7 | Very low | 30.4 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | -72.4 | 89.7 | 166.5 | -77.3 | -23.1 | 0 | 0 | 0 | 108.5 | K193 | K193-N195 PolarHBondContact O-N 3.41Š|
| 196 | N | 35.3 | Very low | 30.3 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | trans | -162.5 | 75.3 | 152.8 | -93.8 | -30.6 | 0 | 0 | 0 | 109.3 | S194 Q198 | S194-N196 PolarHBondContact O-N 3.3Å; S194-N196 VanDerWaalsContact O-N 3.09Å; N196-Q198 PolarHBondContact O-N 3.34Å |
| 197 | R | 35 | Very low | 30.2 | Very low | 228 Ų | 228 | 142.8 Ų | 142.8 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | | | trans | -75.2 | 73.1 | 168.9 | -67 | -174.2 | 178.5 | -171.9 | -0.7 | 109.6 | N199 | R197-N199 VanDerWaalsContact C-N 3.3Å; R197-N199 PolarHBondContact O-N 2.95Å |
| 198 | Q | 37.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | trans | -80.2 | 92.8 | 156.4 | -75.3 | -169.7 | 5.2 | 0 | 0 | 106.8 | N196 Y200 | N196-Q198 PolarHBondContact O-N 3.34Å; Q198-Y200 VanDerWaalsContact C-N 3.32Å; Q198-Y200 HydrophobicContact CB-CE2 4.18Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.48Å; Q198-Y200 PolarHBondContact O-N 3.41Å |
| 199 | N | 34.1 | Very low | 30 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | -63.7 | 88.6 | 177.8 | -71.5 | -34.7 | 0 | 0 | 0 | 109.6 | R197 | R197-N199 VanDerWaalsContact C-N 3.3Å; R197-N199 PolarHBondContact O-N 2.95Å |
| 200 | Y | 28.4 | Very low | 29.7 | Very low | 185 Ų | 185 | 143 Ų | 143 | 73% | 0.725 | 73% | 0.734 | S | S | * | * | | | trans | -72.4 | 132.5 | 163.6 | -72.4 | -83.4 | 0 | 0 | 0 | 108.6 | Q198 Q202 | Q198-Y200 VanDerWaalsContact C-N 3.32Å; Q198-Y200 HydrophobicContact CB-CE2 4.18Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.48Å; Q198-Y200 PolarHBondContact O-N 3.41Å; Y200-Q202 PolarHBondContact O-N 2.71Å |
| 201 | P | 31 | Very low | 29.7 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 58% | 0.578 | 73% | 0.732 | S | S | * | * | | | trans | -63 | 107.6 | 174.3 | 23.2 | -30 | 0 | 0 | 0 | 109.3 | Y203 | P201-Y203 HydrophobicContact CB-CE2 4.31Å; P201-Y203 HydrophobicContact CG-CE2 4.16Å; P201-Y203 WeakPolarHBondContact O-CD2 3.4Å; P201-Y203 PolarHBondContact O-N 3.09Å |
| 202 | Q | 28 | Very low | 29.8 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | -71.3 | 107.9 | 168.4 | -92.6 | -173.4 | -38 | 0 | 0 | 108.5 | Y200 S204 | Y200-Q202 PolarHBondContact O-N 2.71Å; Q202-S204 PolarHBondContact O-N 2.91Å |
| 203 | Y | 25 | Very low | 29.7 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -78.4 | 102.2 | 169.1 | -60.7 | -81.2 | 0 | 0 | 0 | 108.8 | P201 | P201-Y203 HydrophobicContact CB-CE2 4.31Å; P201-Y203 HydrophobicContact CG-CE2 4.16Å; P201-Y203 WeakPolarHBondContact O-CD2 3.4Å; P201-Y203 PolarHBondContact O-N 3.09Å |
| 204 | S | 27.5 | Very low | 29.8 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | | | trans | -95.2 | 117.5 | 167.8 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | Q202 | Q202-S204 PolarHBondContact O-N 2.91Š|
| 205 | A | 25.3 | Very low | 29.6 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | | | trans | -89.9 | 114.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 206 | T | 27.6 | Very low | 29.4 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 53% | 0.534 | 73% | 0.727 | S | S | . | * | | | trans | -90 | 112.6 | 172.7 | -51.7 | 0 | 0 | 0 | 0 | 108.4 | H208 | T206-H208 PolarHBondContact O-N 3.22Š|
| 207 | I | 25.8 | Very low | 29 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 68% | 0.677 | 73% | 0.733 | S | S | * | * | | | trans | -87.9 | 105.8 | 173.5 | -55.9 | 176.1 | 0 | 0 | 0 | 107.3 | V209 | I207-V209 PolarHBondContact O-N 3.16Š|
| 208 | H | 24.9 | Very low | 28.8 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | trans | -75.4 | 109 | 168.9 | -84 | -95.5 | 0 | 0 | 0 | 109 | T206 Q210 | T206-H208 PolarHBondContact O-N 3.22Å; H208-Q210 PolarHBondContact O-N 3.33Å |
| 209 | V | 28.6 | Very low | 28.4 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | | | trans | -75.5 | 104.9 | 166 | -174.7 | 0 | 0 | 0 | 0 | 106.4 | I207 E211 | I207-V209 PolarHBondContact O-N 3.16Å; V209-E211 PolarHBondContact O-N 2.73Å |
| 210 | Q | 24.3 | Very low | 28.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | | | trans | -59.3 | 130.7 | 176.8 | -101.4 | -179.4 | -24.7 | 0 | 0 | 110.1 | H208 | H208-Q210 PolarHBondContact O-N 3.33Š|
| 211 | E | 29.9 | Very low | 28.2 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | | | trans | -57.9 | 140 | 173.2 | -76 | 176.4 | 160.6 | 0 | 0 | 110.6 | V209 H213 | V209-E211 PolarHBondContact O-N 2.73Å; E211-H213 PolarHBondContact O-N 3.07Å |
| 212 | S | 30.1 | Very low | 28.1 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -68.9 | 99.7 | 171.3 | -47.7 | 0 | 0 | 0 | 0 | 108.2 | S214 | S212-S214 PolarHBondContact O-N 2.73Š|
| 213 | H | 29.5 | Very low | 28.2 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -59.3 | 129.8 | 170 | -63.3 | -58.4 | 0 | 0 | 0 | 109 | E211 T215 | E211-H213 PolarHBondContact O-N 3.07Å; H213-T215 PolarHBondContact O-N 3.25Å |
| 214 | S | 32.2 | Very low | 28.4 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | -58.5 | 125.5 | 171.1 | 59.9 | 0 | 0 | 0 | 0 | 108.5 | S212 G216 | S212-S214 PolarHBondContact O-N 2.73Å; S214-G216 PolarHBondContact O-N 2.97Å |
| 215 | T | 29.9 | Very low | 28.5 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 96% | 0.957 | 77% | 0.772 | S | S | * | * | | | trans | -63.8 | 72.8 | 178.8 | -19.3 | 0 | 0 | 0 | 0 | 110.4 | H213 | H213-T215 PolarHBondContact O-N 3.25Š|
| 216 | G | 27.9 | Very low | 28.7 | Very low | 51 Ų | 51 | 136.1 Ų | 136.1 | 53% | 0.526 | 77% | 0.768 | S | S | . | * | | | trans | -87.9 | 120 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S214 I218 | S214-G216 PolarHBondContact O-N 2.97Å; G216-I218 WeakPolarHBondContact O-CG1 3.17Å; G216-I218 PolarHBondContact O-N 3.22Å; G216-I218 VanDerWaalsContact O-N 3.14Å |
| 217 | N | 27.7 | Very low | 28.8 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | | | trans | -12 | 100.9 | 167.3 | -80.6 | -21.9 | 0 | 0 | 0 | 115.4 | | |
| 218 | I | 30.4 | Very low | 29.1 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -121.3 | 103.8 | 159.5 | -40.5 | -177.1 | 0 | 0 | 0 | 107.9 | G216 | G216-I218 WeakPolarHBondContact O-CG1 3.17Å; G216-I218 PolarHBondContact O-N 3.22Å; G216-I218 VanDerWaalsContact O-N 3.14Å |
| 219 | T | 28.4 | Very low | 29.5 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | -45.1 | 147.2 | 166.3 | 26.1 | 0 | 0 | 0 | 0 | 113.3 | G221 | T219-G221 PolarHBondContact O-N 3.15Š|
| 220 | S | 30.2 | Very low | 29.3 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 97% | 0.965 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -43.6 | 111.3 | 177.5 | -165.4 | 0 | 0 | 0 | 0 | 113 | | |
| 221 | G | 28.5 | Very low | 29.7 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -166.9 | 110.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T219 | T219-G221 PolarHBondContact O-N 3.15Š|
| 222 | R | 27.4 | Very low | 29.6 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | | | trans | 80.3 | 96.4 | 157.9 | -157.2 | 175 | -104.6 | -147.4 | -2.6 | 117.5 | Y224 | R222-Y224 HydrophobicContact CG-CD2 4.27Å; R222-Y224 HydrophobicContact CG-CE2 3.87Å; R222-Y224 PolarHBondContact NH1-OH 3.44Å; R222-Y224 PolarHBondContact O-N 3.26Å |
| 223 | V | 30.5 | Very low | 29.7 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 116.3 | 163.4 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 224 | Y | 30.7 | Very low | 29.7 | Very low | 182 Ų | 182 | 138 Ų | 138 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 120.3 | 162.9 | -85.7 | -87.2 | 0 | 0 | 0 | 109.5 | R222 G226 | R222-Y224 HydrophobicContact CG-CD2 4.27Å; R222-Y224 HydrophobicContact CG-CE2 3.87Å; R222-Y224 PolarHBondContact NH1-OH 3.44Å; R222-Y224 PolarHBondContact O-N 3.26Å; Y224-G226 PolarHBondContact O-N 3.1Å |
| 225 | N | 28.4 | Very low | 29.5 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120.5 | 167.2 | -89.6 | -29.9 | 0 | 0 | 0 | 109.8 | | |
| 226 | G | 29.8 | Very low | 29.5 | Very low | 51 Ų | 51 | 141.5 Ų | 141.5 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | S | Bend | trans | 160.1 | 99.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y224 S228 | Y224-G226 PolarHBondContact O-N 3.1Å; G226-S228 VanDerWaalsContact C-N 3.27Å; G226-S228 WeakPolarHBondContact O-CA 3.25Å; G226-S228 WeakPolarHBondContact O-CB 3.36Å; G226-S228 PolarHBondContact O-N 2.67Å |
| 227 | T | 29.3 | Very low | 29.4 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | | | trans | 6.3 | 68.8 | 160.6 | 50.1 | 0 | 0 | 0 | 0 | 115 | | |
| 228 | S | 32.5 | Very low | 29.4 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -102 | 109.2 | -177.1 | -169.2 | 0 | 0 | 0 | 0 | 107.2 | G226 R230 | G226-S228 VanDerWaalsContact C-N 3.27Å; G226-S228 WeakPolarHBondContact O-CA 3.25Å; G226-S228 WeakPolarHBondContact O-CB 3.36Å; G226-S228 PolarHBondContact O-N 2.67Å; S228-R230 PolarHBondContact O-N 3.16Å |
| 229 | T | 32.2 | Very low | 29.3 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -45.2 | 120.1 | 170.6 | -2.7 | 0 | 0 | 0 | 0 | 108.9 | I231 | T229-I231 PolarHBondContact O-N 3.18Š|
| 230 | R | 25.5 | Very low | 29.1 | Very low | 211 Ų | 211 | 144 Ų | 144 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -62.7 | 104.8 | 172.8 | -81.1 | -179.4 | -147.3 | -165.3 | 4 | 108.6 | S228 Y232 | S228-R230 PolarHBondContact O-N 3.16Å; R230-Y232 HydrophobicContact CB-CE2 4.42Å |
| 231 | I | 32 | Very low | 29.1 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -85.3 | 113.3 | 172.2 | -58.3 | 174.8 | 0 | 0 | 0 | 107 | T229 | T229-I231 PolarHBondContact O-N 3.18Š|
| 232 | Y | 27.7 | Very low | 28.9 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 70% | 0.698 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -80 | 128.8 | 173.4 | -64 | -83.6 | 0 | 0 | 0 | 109.5 | R230 V234 | R230-Y232 HydrophobicContact CB-CE2 4.42Å; Y232-V234 PolarHBondContact O-N 3.18Å |
| 233 | P | 31.8 | Very low | 28.9 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67 | 123.1 | 175.3 | 25.1 | -31 | 0 | 0 | 0 | 110.2 | K235 | P233-K235 PolarHBondContact O-N 2.79Š|
| 234 | V | 29.6 | Very low | 28.9 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116.6 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | Y232 Q236 | Y232-V234 PolarHBondContact O-N 3.18Å; V234-Q236 PolarHBondContact O-N 3.28Å |
| 235 | K | 29.4 | Very low | 28.6 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | | | trans | -65.8 | 105.8 | 171 | -69.4 | -176 | 179.3 | -176.9 | 0 | 108.7 | P233 Y237 | P233-K235 PolarHBondContact O-N 2.79Å; K235-Y237 PolarHBondContact O-N 3.19Å |
| 236 | Q | 28.4 | Very low | 28.6 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -76.2 | 115.8 | 172 | -66.5 | -178.1 | -7.1 | 0 | 0 | 108.5 | V234 | V234-Q236 PolarHBondContact O-N 3.28Š|
| 237 | Y | 27.7 | Very low | 28.6 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | | | trans | -82.8 | 114.9 | 169.6 | -64.6 | -82.9 | 0 | 0 | 0 | 108.1 | K235 S239 | K235-Y237 PolarHBondContact O-N 3.19Å; Y237-S239 PolarHBondContact O-N 2.96Å |
| 238 | N | 27.2 | Very low | 28.5 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -70.3 | 95.9 | 168.5 | -80.8 | -19 | 0 | 0 | 0 | 108.5 | S240 | N238-S240 PolarHBondContact O-N 3.22Å; N238-S240 VanDerWaalsContact O-N 3.13Å |
| 239 | S | 27.6 | Very low | 28.5 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -77.6 | 93 | 169.3 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | Y237 S241 | Y237-S239 PolarHBondContact O-N 2.96Å; S239-S241 PolarHBondContact O-N 2.71Å |
| 240 | S | 25.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -68.2 | 97.2 | 167 | 53 | 0 | 0 | 0 | 0 | 108.8 | N238 | N238-S240 PolarHBondContact O-N 3.22Å; N238-S240 VanDerWaalsContact O-N 3.13Å |
| 241 | S | 28.5 | Very low | 28.7 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 116 | 166.1 | 58.2 | 0 | 0 | 0 | 0 | 108.6 | S239 | S239-S241 PolarHBondContact O-N 2.71Š|
| 242 | S | 25.2 | Very low | 28.5 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 138.8 | 168.9 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | V244 | S242-V244 PolarHBondContact O-N 2.74Å; S242-V244 VanDerWaalsContact O-N 3.13Å |
| 243 | P | 27.9 | Very low | 28.4 | Very low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118.8 | -177.7 | 22 | -31.1 | 0 | 0 | 0 | 109.9 | R245 | P243-R245 PolarHBondContact O-N 2.88Š|
| 244 | V | 29.2 | Very low | 28.2 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -61.7 | 109.5 | 174 | 178 | 0 | 0 | 0 | 0 | 107 | S242 | S242-V244 PolarHBondContact O-N 2.74Å; S242-V244 VanDerWaalsContact O-N 3.13Å |
| 245 | R | 25.8 | Very low | 27.9 | Very low | 222 Ų | 222 | 135.8 Ų | 135.8 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -60.4 | 131.1 | 173.1 | -112.5 | -179 | 179.3 | -96.1 | 1.2 | 108.1 | P243 I247 | P243-R245 PolarHBondContact O-N 2.88Å; R245-I247 PolarHBondContact O-N 2.96Å |
| 246 | P | 27.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | trans | -60.5 | 123.5 | 179.3 | 21.8 | -30.7 | 0 | 0 | 0 | 109.7 | T248 | P246-T248 PolarHBondContact O-N 2.69Å; P246-T248 VanDerWaalsContact O-N 3.09Å |
| 247 | I | 29.2 | Very low | 27.6 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | | | trans | -71.6 | 101.5 | 171.8 | -58.2 | 171.2 | 0 | 0 | 0 | 105.8 | R245 | R245-I247 PolarHBondContact O-N 2.96Š|
| 248 | T | 28.5 | Very low | 27.5 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | | | trans | -67 | 124.2 | 170.5 | 38.2 | 0 | 0 | 0 | 0 | 108.9 | P246 S250 | P246-T248 PolarHBondContact O-N 2.69Å; P246-T248 VanDerWaalsContact O-N 3.09Å; T248-S250 PolarHBondContact O-N 3.33Å |
| 249 | P | 31.9 | Very low | 27.5 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | | | trans | -66.7 | 106.9 | 179.1 | 24.9 | -30.9 | 0 | 0 | 0 | 109.6 | | |
| 250 | S | 30.9 | Very low | 27.4 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | trans | -80.4 | 128.8 | 172.1 | 57.1 | 0 | 0 | 0 | 0 | 110 | T248 | T248-S250 PolarHBondContact O-N 3.33Š|
| 251 | S | 30.5 | Very low | 27.5 | Very low | 86 Ų | 86 | 136 Ų | 136 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | | | trans | 58.3 | 112.4 | 162.5 | 61.5 | 0 | 0 | 0 | 0 | 117.7 | Y253 | S251-Y253 PolarHBondContact O-N 2.93Š|
| 252 | V | 28.5 | Very low | 27.6 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -36.8 | 100.1 | 155.8 | -176 | 0 | 0 | 0 | 0 | 110.7 | | |
| 253 | Y | 26 | Very low | 28 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -94.5 | 139.2 | 161 | -98.5 | -90.5 | 0 | 0 | 0 | 108.7 | S251 S255 | S251-Y253 PolarHBondContact O-N 2.93Å; Y253-S255 PolarHBondContact O-N 2.75Å |
| 254 | P | 26.8 | Very low | 28.3 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 57% | 0.571 | 76% | 0.764 | S | S | * | * | | | trans | -64.5 | 136.4 | -178.1 | -7 | 19.2 | 0 | 0 | 0 | 110.7 | Y256 | P254-Y256 HydrophobicContact CB-CE2 4.47Å; P254-Y256 VanDerWaalsContact O-CD2 3.32Å; P254-Y256 WeakPolarHBondContact O-CD2 3.36Å; P254-Y256 PolarHBondContact O-N 2.77Å |
| 255 | S | 24 | Very low | 28.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -43.7 | 97.7 | 171.9 | 167.3 | 0 | 0 | 0 | 0 | 112.9 | Y253 | Y253-S255 PolarHBondContact O-N 2.75Š|
| 256 | Y | 26 | Very low | 29.1 | Very low | 206 Ų | 206 | 134.3 Ų | 134.3 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | trans | -106.7 | 115.4 | 154.8 | -64.2 | -77.7 | 0 | 0 | 0 | 108.7 | P254 | P254-Y256 HydrophobicContact CB-CE2 4.47Å; P254-Y256 VanDerWaalsContact O-CD2 3.32Å; P254-Y256 WeakPolarHBondContact O-CD2 3.36Å; P254-Y256 PolarHBondContact O-N 2.77Å |
| 257 | N | 25.5 | Very low | 29.5 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -13.2 | 129.2 | 166.7 | -72 | -51.8 | 0 | 0 | 0 | 117.4 | | |
| 258 | S | 25.3 | Very low | 29.7 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | | 49.1 | 95.2 | 125.8 | -47.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 259 | Y | 26.2 | Very low | 30.3 | Very low | 220 Ų | 220 | 136.2 Ų | 136.2 | 86% | 0.863 | 76% | 0.757 | S | S | * | * | | | trans | -173.9 | 129.7 | 130.1 | -84.5 | -65 | 0 | 0 | 0 | 108.1 | | |
| 260 | N | 26.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 62.1 | 66.5 | 160 | -57 | -27.7 | 0 | 0 | 0 | 117.3 | I262 | N260-I262 HydrophobicContact CB-CD1 4.33Å; N260-I262 HydrophobicContact CB-CG1 4.44Å; N260-I262 PolarHBondContact O-N 2.89Å |
| 261 | S | 27.9 | Very low | 31.1 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | | | trans | -69.9 | 77.7 | 152.8 | -52.4 | 0 | 0 | 0 | 0 | 108.9 | S263 | S261-S263 PolarHBondContact O-N 2.95Š|
| 262 | I | 30.5 | Very low | 31.8 | Very low | 135 Ų | 135 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | -68.3 | 90.4 | 164.7 | -64.1 | 149.3 | 0 | 0 | 0 | 104.7 | N260 R264 | N260-I262 HydrophobicContact CB-CD1 4.33Å; N260-I262 HydrophobicContact CB-CG1 4.44Å; N260-I262 PolarHBondContact O-N 2.89Å; I262-R264 VanDerWaalsContact C-N 3.27Å; I262-R264 PolarHBondContact O-N 2.91Å |
| 263 | S | 32.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -58.3 | 101 | 167.5 | -164.1 | 0 | 0 | 0 | 0 | 105.3 | S261 G265 | S261-S263 PolarHBondContact O-N 2.95Å; S263-G265 PolarHBondContact O-N 3.37Å |
| 264 | R | 34.4 | Very low | 33.1 | Very low | 231 Ų | 231 | 140.3 Ų | 140.3 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | -65.8 | 78.4 | 167.5 | -69.8 | -174 | -178.8 | -158.3 | 1 | 105.2 | I262 S266 | I262-R264 VanDerWaalsContact C-N 3.27Å; I262-R264 PolarHBondContact O-N 2.91Å; R264-S266 PolarHBondContact O-N 2.94Å; R264-S266 VanDerWaalsContact O-N 3.14Å |
| 265 | G | 34.9 | Very low | 33.7 | Very low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | | | trans | -51.1 | 126.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | S263 G267 | S263-G265 PolarHBondContact O-N 3.37Å; G265-G267 PolarHBondContact O-N 3.03Å |
| 266 | S | 37.4 | Very low | 34.8 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -64.5 | 58 | 165 | 172.8 | 0 | 0 | 0 | 0 | 108.4 | R264 R268 | R264-S266 PolarHBondContact O-N 2.94Å; R264-S266 VanDerWaalsContact O-N 3.14Å; S266-R268 PolarHBondContact O-N 2.87Å |
| 267 | G | 36.3 | Very low | 35.5 | Very low | 57 Ų | 57 | 137 Ų | 137 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | | | trans | -70.7 | 113.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | G265 V269 | G265-G267 PolarHBondContact O-N 3.03Å; G267-V269 PolarHBondContact O-N 3.09Å |
| 268 | R | 34.4 | Very low | 36.3 | Very low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | | | trans | -43.3 | 111.8 | 167 | -68.5 | 178.9 | 175.4 | -137.2 | -1.8 | 106.6 | S266 V270 | S266-R268 PolarHBondContact O-N 2.87Å; R268-V270 PolarHBondContact O-N 3.43Å |
| 269 | V | 40.2 | Very low | 37.2 | Very low | 133 Ų | 133 | 141 Ų | 141 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | trans | -64.4 | 95.3 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 104.4 | G267 Q271 | G267-V269 PolarHBondContact O-N 3.09Å; V269-Q271 VanDerWaalsContact C-N 3.29Å; V269-Q271 PolarHBondContact O-N 3.2Å |
| 270 | V | 38.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | trans | -66 | 99.9 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 104.3 | R268 | R268-V270 PolarHBondContact O-N 3.43Š|
| 271 | Q | 40.4 | Very low | 38.9 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | | | trans | -58.2 | 132.7 | 175.8 | -69 | -170.2 | -4.9 | 0 | 0 | 107.6 | V269 L273 | V269-Q271 VanDerWaalsContact C-N 3.29Å; V269-Q271 PolarHBondContact O-N 3.2Å; Q271-L273 PolarHBondContact O-N 2.75Å |
| 272 | P | 44.6 | Very low | 39.4 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | | | trans | -57 | 135.6 | 178.6 | 22.2 | -31.2 | 0 | 0 | 0 | 109.5 | R274 | P272-R274 PolarHBondContact O-N 2.97Š|
| 273 | L | 42.1 | Very low | 39.8 | Very low | 155 Ų | 155 | 134 Ų | 134 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | trans | -56.3 | 113.4 | 178.3 | -174.3 | 73 | 0 | 0 | 0 | 109.1 | Q271 V275 | Q271-L273 PolarHBondContact O-N 2.75Å; L273-V275 HydrophobicContact CD2-CG2 4.04Å; L273-V275 HydrophobicContact CG-CG2 4.19Å; L273-V275 PolarHBondContact O-N 2.9Å; L273-V275 VanDerWaalsContact O-N 3.15Å |
| 274 | R | 40 | Very low | 40 | Very low | 202 Ų | 202 | 132.7 Ų | 132.7 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | | | trans | -73.4 | 104.8 | 172.9 | -65.9 | -168.6 | -171.4 | -164.7 | 2.9 | 108.4 | P272 | P272-R274 PolarHBondContact O-N 2.97Š|
| 275 | V | 39.7 | Very low | 40.2 | Very low | 104 Ų | 104 | 128 Ų | 128 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | | | trans | -94.3 | 115.1 | 172 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | L273 V277 | L273-V275 HydrophobicContact CD2-CG2 4.04Å; L273-V275 HydrophobicContact CG-CG2 4.19Å; L273-V275 PolarHBondContact O-N 2.9Å; L273-V275 VanDerWaalsContact O-N 3.15Å; V275-V277 PolarHBondContact O-N 2.97Å |
| 276 | N | 46.6 | Very low | 40.2 | Very low | 116 Ų | 116 | 131 Ų | 131 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | trans | -73.5 | 107.1 | 169.4 | -71.6 | -9.5 | 0 | 0 | 0 | 107.8 | Y278 | N276-Y278 HydrophobicContact CB-CD2 4.44Å; N276-Y278 HydrophobicContact CB-CE2 3.91Å; N276-Y278 PolarHBondContact O-N 3.09Å |
| 277 | V | 42.2 | Very low | 40 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | | | trans | -79.9 | 102 | 168.4 | -176.6 | 0 | 0 | 0 | 0 | 106.5 | V275 N279 | V275-V277 PolarHBondContact O-N 2.97Å; V277-N279 PolarHBondContact O-N 3.07Å |
| 278 | Y | 42.3 | Very low | 39.6 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | | | trans | -74.7 | 114.2 | 165.5 | -65 | -83.2 | 0 | 0 | 0 | 106.4 | N276 S280 | N276-Y278 HydrophobicContact CB-CD2 4.44Å; N276-Y278 HydrophobicContact CB-CE2 3.91Å; N276-Y278 PolarHBondContact O-N 3.09Å; Y278-S280 PolarHBondContact O-N 3.14Å |
| 279 | N | 43.8 | Very low | 39.7 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | | | trans | -57.5 | 108.9 | 172.1 | -71 | -8.9 | 0 | 0 | 0 | 107.7 | V277 D281 | V277-N279 PolarHBondContact O-N 3.07Å; N279-D281 PolarHBondContact O-N 3.24Å; N279-D281 VanDerWaalsContact O-N 3.14Å |
| 280 | S | 43.7 | Very low | 39.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 17.2 | 175.6 | 39.7 | 0 | 0 | 0 | 0 | 112.6 | Y278 N282 A283 | Y278-S280 PolarHBondContact O-N 3.14Å; S280-N282 PolarHBondContact O-N 3.24Å; S280-N282 VanDerWaalsContact O-N 3.13Å; S280-A283 PolarHBondContact O-N 3.13Å |
| 281 | D | 44.3 | Very low | 39.1 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.3 | 179.7 | -60 | -25 | 0 | 0 | 0 | 112.8 | N279 A283 | N279-D281 PolarHBondContact O-N 3.24Å; N279-D281 VanDerWaalsContact O-N 3.14Å; D281-A283 PolarHBondContact O-N 3.47Å |
| 282 | N | 38.5 | Very low | 39 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | | | trans | -89.5 | 46.3 | 167.1 | -75.5 | -15 | 0 | 0 | 0 | 112.1 | S280 S284 | S280-N282 PolarHBondContact O-N 3.24Å; S280-N282 VanDerWaalsContact O-N 3.13Å; N282-S284 PolarHBondContact O-N 2.89Å; N282-S284 VanDerWaalsContact O-N 3.1Å |
| 283 | A | 38.2 | Very low | 38.6 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | | | trans | -76.9 | 50.6 | 151 | 0 | 0 | 0 | 0 | 0 | 109.4 | S280 D281 T285 | S280-A283 PolarHBondContact O-N 3.13Å; D281-A283 PolarHBondContact O-N 3.47Å; A283-T285 PolarHBondContact O-N 3.28Å; A283-T285 PolarHBondContact O-OG1 3.44Å |
| 284 | S | 38.2 | Very low | 38.3 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | | | trans | -77.7 | 76.5 | 164.5 | 74.8 | 0 | 0 | 0 | 0 | 107.6 | N282 V286 | N282-S284 PolarHBondContact O-N 2.89Å; N282-S284 VanDerWaalsContact O-N 3.1Å; S284-V286 VanDerWaalsContact C-N 3.25Å; S284-V286 PolarHBondContact O-N 3.03Å |
| 285 | T | 37.1 | Very low | 38.1 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | | | trans | -50.2 | 99 | 146.4 | 25.7 | 0 | 0 | 0 | 0 | 107 | A283 | A283-T285 PolarHBondContact O-N 3.28Å; A283-T285 PolarHBondContact O-OG1 3.44Å |
| 286 | V | 35 | Very low | 38 | Very low | 120 Ų | 120 | 136 Ų | 136 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | 164.2 | 81.9 | 148 | 177.2 | 0 | 0 | 0 | 0 | 105.4 | S284 S288 | S284-V286 VanDerWaalsContact C-N 3.25Å; S284-V286 PolarHBondContact O-N 3.03Å; V286-S288 VanDerWaalsContact C-N 3.27Å; V286-S288 PolarHBondContact O-N 2.98Å; V286-S288 VanDerWaalsContact O-N 3.13Å |
| 287 | Y | 33.5 | Very low | 37.7 | Very low | 221 Ų | 221 | 136.1 Ų | 136.1 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | trans | -75.5 | 88.4 | 157.3 | -94.4 | -91.6 | 0 | 0 | 0 | 107.4 | | |
| 288 | S | 28.7 | Very low | 37.6 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 52% | 0.524 | 75% | 0.751 | S | S | . | * | | | trans | -82 | 128.4 | 141.7 | -85.6 | 0 | 0 | 0 | 0 | 106.4 | V286 H290 | V286-S288 VanDerWaalsContact C-N 3.27Å; V286-S288 PolarHBondContact O-N 2.98Å; V286-S288 VanDerWaalsContact O-N 3.13Å; S288-H290 PolarHBondContact O-N 3.18Å |
| 289 | P | 35.6 | Very low | 37.2 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -75.6 | 72.7 | -175.1 | 31.3 | -33.7 | 0 | 0 | 0 | 110.1 | | |
| 290 | H | 35 | Very low | 37.1 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | | | trans | -90.7 | 115.6 | 164.7 | -79.2 | -79.6 | 0 | 0 | 0 | 108.2 | S288 K292 | S288-H290 PolarHBondContact O-N 3.18Å; H290-K292 PolarHBondContact O-N 3.01Å |
| 291 | K | 32.3 | Very low | 37 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | | | trans | -39.5 | 101.1 | 167.1 | -74 | 175.4 | 171.8 | -179.5 | 0 | 109.5 | V293 | K291-V293 PolarHBondContact O-N 3.05Š|
| 292 | K | 38.2 | Very low | 37 | Very low | 204 Ų | 204 | 140.1 Ų | 140.1 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | trans | -77.5 | 107.4 | 167.4 | -94.6 | -172.8 | 174.5 | -174.7 | 0 | 107.2 | H290 E294 | H290-K292 PolarHBondContact O-N 3.01Å; K292-E294 PolarHBondContact O-N 3.08Å |
| 293 | V | 35.8 | Very low | 37.1 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -51.7 | 124.6 | 167.8 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | K291 S295 | K291-V293 PolarHBondContact O-N 3.05Å; V293-S295 VanDerWaalsContact C-N 3.32Å; V293-S295 PolarHBondContact O-N 2.91Å |
| 294 | E | 36.3 | Very low | 37.4 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 94% | 0.935 | 76% | 0.758 | S | S | * | * | | | trans | -67.4 | 86.5 | 171.3 | -74.7 | 175.4 | 153.2 | 0 | 0 | 109.3 | K292 | K292-E294 PolarHBondContact O-N 3.08Š|
| 295 | S | 35.9 | Very low | 37.7 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | -154.4 | 78 | 167.1 | 72.8 | 0 | 0 | 0 | 0 | 112.1 | V293 | V293-S295 VanDerWaalsContact C-N 3.32Å; V293-S295 PolarHBondContact O-N 2.91Å |
| 296 | S | 37.5 | Very low | 37.7 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -167 | 102.9 | 146.5 | 41.7 | 0 | 0 | 0 | 0 | 110.1 | N298 | S296-N298 PolarHBondContact O-N 3.33Š|
| 297 | P | 39.9 | Very low | 38.3 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -79.2 | 58.5 | 172.3 | 35 | -33 | 0 | 0 | 0 | 109.5 | W299 | P297-W299 PolarHBondContact O-N 3.41Å; P297-W299 VanDerWaalsContact O-N 3.11Å |
| 298 | N | 39.1 | Very low | 38.7 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | | | trans | -86.7 | 73.2 | 166.9 | -89.2 | 5.8 | 0 | 0 | 0 | 108.2 | S296 N300 | S296-N298 PolarHBondContact O-N 3.33Å; N298-N300 PolarHBondContact O-N 2.82Å |
| 299 | W | 35.7 | Very low | 39.1 | Very low | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | | | trans | -60.7 | 87.3 | 152.8 | -79.9 | 92.1 | 0 | 0 | 0 | 106.6 | P297 P301 | P297-W299 PolarHBondContact O-N 3.41Å; P297-W299 VanDerWaalsContact O-N 3.11Å; W299-P301 WeakPolarHBondContact O-CD 3.33Å; W299-P301 VanDerWaalsContact O-N 3.09Å |
| 300 | N | 40 | Very low | 39.7 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | | | trans | -64.8 | 110.1 | 169.1 | -154.6 | 1.2 | 0 | 0 | 0 | 105.4 | N298 S302 | N298-N300 PolarHBondContact O-N 2.82Å; N300-S302 PolarHBondContact O-N 2.91Å; N300-S302 VanDerWaalsContact O-N 3.09Å |
| 301 | P | 41.7 | Very low | 40.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | | | trans | -59 | 123.1 | -174.4 | 23.5 | -31.4 | 0 | 0 | 0 | 107.4 | W299 S303 | W299-P301 WeakPolarHBondContact O-CD 3.33Å; W299-P301 VanDerWaalsContact O-N 3.09Å; P301-S303 PolarHBondContact O-N 2.75Å |
| 302 | S | 44.7 | Very low | 40.6 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | -44.1 | 120.2 | 179.6 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | N300 | N300-S302 PolarHBondContact O-N 2.91Å; N300-S302 VanDerWaalsContact O-N 3.09Å |
| 303 | S | 40.4 | Very low | 40.8 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | -42.3 | 131.3 | -178.8 | -50.2 | 0 | 0 | 0 | 0 | 109.8 | P301 I305 | P301-S303 PolarHBondContact O-N 2.75Å; S303-I305 PolarHBondContact O-N 2.8Å |
| 304 | P | 45.4 | Very low | 40.9 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | | | trans | -53.3 | 115.4 | -175.5 | 17.5 | -29.1 | 0 | 0 | 0 | 109.4 | Y306 | P304-Y306 VanDerWaalsContact C-N 3.31Å; P304-Y306 HydrophobicContact CB-CE2 4.27Å; P304-Y306 HydrophobicContact CG-CE2 3.98Å; P304-Y306 VanDerWaalsContact O-CD2 3.29Å; P304-Y306 WeakPolarHBondContact O-CD2 3.39Å; P304-Y306 PolarHBondContact O-N 2.75Å |
| 305 | I | 43 | Very low | 41.1 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | | | trans | -69.9 | 93.9 | 177 | -60.8 | 170.9 | 0 | 0 | 0 | 105.9 | S303 P307 | S303-I305 PolarHBondContact O-N 2.8Å; I305-P307 WeakPolarHBondContact O-CD 3Å |
| 306 | Y | 38.5 | Very low | 41.4 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | -66.4 | 123.7 | 170.2 | -71.9 | -82.6 | 0 | 0 | 0 | 108 | P304 A308 | P304-Y306 VanDerWaalsContact C-N 3.31Å; P304-Y306 HydrophobicContact CB-CE2 4.27Å; P304-Y306 HydrophobicContact CG-CE2 3.98Å; P304-Y306 VanDerWaalsContact O-CD2 3.29Å; P304-Y306 WeakPolarHBondContact O-CD2 3.39Å; P304-Y306 PolarHBondContact O-N 2.75Å; Y306-A308 PolarHBondContact O-N 2.63Å |
| 307 | P | 47.7 | Very low | 41.6 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 53% | 0.526 | 74% | 0.737 | S | S | . | * | | | trans | -57 | 127 | 165 | 23.9 | -29.7 | 0 | 0 | 0 | 106.8 | I305 Y309 | I305-P307 WeakPolarHBondContact O-CD 3Å; P307-Y309 VanDerWaalsContact C-N 3.27Å; P307-Y309 HydrophobicContact CG-CE2 4.1Å; P307-Y309 WeakPolarHBondContact O-CD2 2.98Å; P307-Y309 PolarHBondContact O-N 3.18Å |
| 308 | A | 41.2 | Very low | 41.6 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -61.3 | 97.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y306 | Y306-A308 PolarHBondContact O-N 2.63Š|
| 309 | Y | 37.3 | Very low | 41.6 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 74% | 0.737 | 73% | 0.733 | S | S | * | * | | | trans | -60.2 | 131.9 | 171.3 | -73.3 | -82.7 | 0 | 0 | 0 | 106.8 | P307 A311 | P307-Y309 VanDerWaalsContact C-N 3.27Å; P307-Y309 HydrophobicContact CG-CE2 4.1Å; P307-Y309 WeakPolarHBondContact O-CD2 2.98Å; P307-Y309 PolarHBondContact O-N 3.18Å; Y309-A311 PolarHBondContact O-N 2.75Å |
| 310 | P | 47.2 | Very low | 41.8 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 56% | 0.558 | 73% | 0.728 | S | S | * | * | | | trans | -53.6 | 115.8 | 168.7 | -18.5 | 29.1 | 0 | 0 | 0 | 107 | Y312 M313 | P310-Y312 PolarHBondContact O-N 3.39Å; P310-M313 HydrophobicContact CB-CG 4.19Å; P310-M313 HydrophobicContact CG-CG 4.43Å |
| 311 | A | 43.7 | Very low | 41.9 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 61% | 0.612 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 129.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | Y309 | Y309-A311 PolarHBondContact O-N 2.75Š|
| 312 | Y | 42.9 | Very low | 41.6 | Very low | 214 Ų | 214 | 136.9 Ų | 136.9 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.8 | 36.7 | 174.5 | -39.8 | -75.5 | 0 | 0 | 0 | 118 | P310 D314 | P310-Y312 PolarHBondContact O-N 3.39Å; Y312-D314 PolarHBondContact O-N 3.45Å |
| 313 | M | 42.1 | Very low | 41.4 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | | | trans | -77.2 | 101.6 | 152.5 | -72.4 | -74.9 | 118.7 | 0 | 0 | 107.8 | P310 K315 | P310-M313 HydrophobicContact CB-CG 4.19Å; P310-M313 HydrophobicContact CG-CG 4.43Å; M313-K315 PolarHBondContact O-N 2.96Å |
| 314 | D | 39.5 | Very low | 41.6 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | | | trans | -48.8 | 128 | 170.5 | -74.6 | -36 | 0 | 0 | 0 | 109 | Y312 L316 | Y312-D314 PolarHBondContact O-N 3.45Å; D314-L316 PolarHBondContact O-N 3.15Å |
| 315 | K | 39.8 | Very low | 41.2 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | | | trans | -66.3 | 82.2 | 174.8 | -67.5 | -179.4 | -178.8 | -177.5 | 0 | 107.7 | M313 N317 | M313-K315 PolarHBondContact O-N 2.96Å; K315-N317 PolarHBondContact O-N 3.11Å |
| 316 | L | 42.1 | Very low | 41.2 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | -62.4 | 105.7 | 166 | -106.6 | 138.8 | 0 | 0 | 0 | 106.1 | D314 H318 | D314-L316 PolarHBondContact O-N 3.15Å; L316-H318 VanDerWaalsContact C-N 3.27Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 PolarHBondContact O-ND1 2.85Å |
| 317 | N | 42 | Very low | 41.1 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -44.2 | 93.2 | 170.7 | -70.1 | -37.4 | 0 | 0 | 0 | 108.6 | K315 V319 | K315-N317 PolarHBondContact O-N 3.11Å; N317-V319 VanDerWaalsContact C-N 3.3Å; N317-V319 PolarHBondContact O-N 2.93Å |
| 318 | H | 39.5 | Very low | 40.8 | Very low | 171 Ų | 171 | 159 Ų | 159 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -71.4 | 97.1 | 170.8 | -98.3 | 52.3 | 0 | 0 | 0 | 105.2 | L316 D320 | L316-H318 VanDerWaalsContact C-N 3.27Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 PolarHBondContact O-ND1 2.85Å; H318-D320 PolarHBondContact O-N 2.95Å |
| 319 | V | 39.9 | Very low | 40.8 | Very low | 117 Ų | 117 | 162.1 Ų | 162.1 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | trans | -61 | 121.3 | 160.9 | 176.2 | 0 | 0 | 0 | 0 | 105.6 | N317 I321 | N317-V319 VanDerWaalsContact C-N 3.3Å; N317-V319 PolarHBondContact O-N 2.93Å; V319-I321 HydrophobicContact CG1-CG1 4.41Å; V319-I321 PolarHBondContact O-N 3.1Å |
| 320 | D | 39.4 | Very low | 40.9 | Very low | 147 Ų | 147 | 161.3 Ų | 161.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -61.2 | 81.3 | 175.4 | -78.4 | -39.3 | 0 | 0 | 0 | 110 | H318 Q322 | H318-D320 PolarHBondContact O-N 2.95Å; D320-Q322 PolarHBondContact O-N 3.48Å |
| 321 | I | 41 | Very low | 40.2 | Very low | 142 Ų | 142 | 162.4 Ų | 162.4 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -76.5 | 89 | 167.3 | -56.8 | 174.7 | 0 | 0 | 0 | 105.5 | V319 | V319-I321 HydrophobicContact CG1-CG1 4.41Å; V319-I321 PolarHBondContact O-N 3.1Å |
| 322 | Q | 35.4 | Very low | 39.8 | Very low | 143 Ų | 143 | 165.3 Ų | 165.3 | 67% | 0.668 | 79% | 0.789 | S | S | * | * | | | trans | -48.2 | 125.3 | 167.7 | -75.6 | -84.7 | -16.5 | 0 | 0 | 108.4 | D320 L324 | D320-Q322 PolarHBondContact O-N 3.48Å; Q322-L324 PolarHBondContact O-N 3.23Å; Q322-L324 VanDerWaalsContact O-N 3.12Å |
| 323 | P | 41.2 | Very low | 39.2 | Very low | 105 Ų | 105 | 165.6 Ų | 165.6 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | trans | -60.9 | 120.9 | -179.6 | 22.2 | -30.6 | 0 | 0 | 0 | 108.9 | R325 | P323-R325 PolarHBondContact O-N 2.87Š|
| 324 | L | 44.7 | Very low | 38.8 | Very low | 149 Ų | 149 | 164.5 Ų | 164.5 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | -53.6 | 108.6 | 172.9 | -88.7 | 109.7 | 0 | 0 | 0 | 108.2 | Q322 Y326 | Q322-L324 PolarHBondContact O-N 3.23Å; Q322-L324 VanDerWaalsContact O-N 3.12Å; L324-Y326 WeakPolarHBondContact O-CD2 3.47Å; L324-Y326 PolarHBondContact O-N 3.09Å |
| 325 | R | 37.6 | Very low | 38.5 | Very low | 226 Ų | 226 | 163.5 Ų | 163.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -66.4 | 104.5 | 173.3 | -63.4 | -175.7 | -159 | -171.6 | 5.6 | 107.1 | P323 R327 | P323-R325 PolarHBondContact O-N 2.87Å; R325-R327 PolarHBondContact O-N 3.3Å; R325-R327 VanDerWaalsContact O-N 3.12Å |
| 326 | Y | 42.6 | Very low | 38.1 | Very low | 210 Ų | 210 | 159.1 Ų | 159.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -55.2 | 116.4 | 173.9 | -66.5 | -86.2 | 0 | 0 | 0 | 109.3 | L324 | L324-Y326 WeakPolarHBondContact O-CD2 3.47Å; L324-Y326 PolarHBondContact O-N 3.09Å |
| 327 | R | 37.3 | Very low | 37.5 | Very low | 232 Ų | 232 | 159 Ų | 159 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -64.2 | 138.7 | 172.6 | -83.4 | -172.3 | 173.6 | 179 | -1.1 | 109.2 | R325 E329 | R325-R327 PolarHBondContact O-N 3.3Å; R325-R327 VanDerWaalsContact O-N 3.12Å; R327-E329 PolarHBondContact O-N 3.04Å |
| 328 | R | 40.2 | Very low | 36.9 | Very low | 248 Ų | 248 | 161.4 Ų | 161.4 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 10.3 | -167 | -152.8 | -178 | -166.7 | -179.1 | 3.4 | 116.5 | | |
| 329 | E | 42.1 | Very low | 36.4 | Very low | 165 Ų | 165 | 158 Ų | 158 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -9.4 | -163.7 | -60.9 | -74 | 149.6 | 0 | 0 | 114 | R327 S331 | R327-E329 PolarHBondContact O-N 3.04Å; E329-S331 PolarHBondContact O-N 3.12Å; E329-S331 VanDerWaalsContact O-N 3.11Å |
| 330 | Q | 39.1 | Very low | 36.1 | Very low | 171 Ų | 171 | 157.1 Ų | 157.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | -88.7 | 88 | -179.6 | -67.5 | -173.5 | -7.6 | 0 | 0 | 110.3 | V332 | Q330-V332 PolarHBondContact O-N 3.4Š|
| 331 | S | 32.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -56.9 | 98.7 | 168.9 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | E329 R333 | E329-S331 PolarHBondContact O-N 3.12Å; E329-S331 VanDerWaalsContact O-N 3.11Å; S331-R333 PolarHBondContact O-N 2.75Å; S331-R333 VanDerWaalsContact O-N 3.1Å |
| 332 | V | 34.6 | Very low | 35.4 | Very low | 135 Ų | 135 | 156.5 Ų | 156.5 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -72.9 | 103.8 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 108 | Q330 | Q330-V332 PolarHBondContact O-N 3.4Š|
| 333 | R | 31.7 | Very low | 35.4 | Very low | 219 Ų | 219 | 154.5 Ų | 154.5 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 134.8 | 167.4 | -66.1 | -169.8 | 179.9 | -165.4 | 0.5 | 108.5 | S331 V335 | S331-R333 PolarHBondContact O-N 2.75Å; S331-R333 VanDerWaalsContact O-N 3.1Å; R333-V335 PolarHBondContact O-N 3.06Å |
| 334 | P | 32.8 | Very low | 35 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 118.8 | -179.8 | 24.5 | -31.6 | 0 | 0 | 0 | 109.7 | | |
| 335 | V | 32.9 | Very low | 34.6 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 122.1 | 172.4 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | R333 I337 | R333-V335 PolarHBondContact O-N 3.06Å; V335-I337 PolarHBondContact O-N 3.17Å |
| 336 | T | 32.3 | Very low | 34.5 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | -68.1 | 112.1 | 171.6 | -40.8 | 0 | 0 | 0 | 0 | 108.7 | Y338 | T336-Y338 PolarHBondContact O-N 3.07Š|
| 337 | I | 29.5 | Very low | 34 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | | | trans | -87 | 110 | -179.5 | -52.1 | 174.8 | 0 | 0 | 0 | 108 | V335 S339 | V335-I337 PolarHBondContact O-N 3.17Å; I337-S339 PolarHBondContact O-N 3.46Å |
| 338 | Y | 28.8 | Very low | 33.9 | Very low | 202 Ų | 202 | 136 Ų | 136 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | trans | -74.2 | 105.9 | 166 | -64 | -80.3 | 0 | 0 | 0 | 108.4 | T336 T340 | T336-Y338 PolarHBondContact O-N 3.07Å; Y338-T340 PolarHBondContact O-N 2.88Å; Y338-T340 VanDerWaalsContact O-N 3.1Å |
| 339 | S | 30.1 | Very low | 33.5 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | | | trans | -72.6 | 95.7 | 167.6 | 170.7 | 0 | 0 | 0 | 0 | 107.9 | I337 | I337-S339 PolarHBondContact O-N 3.46Š|
| 340 | T | 32.1 | Very low | 33.1 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | | | trans | -79.8 | 122.7 | 161.7 | 57.3 | 0 | 0 | 0 | 0 | 107.4 | Y338 N342 | Y338-T340 PolarHBondContact O-N 2.88Å; Y338-T340 VanDerWaalsContact O-N 3.1Å; T340-N342 PolarHBondContact O-N 3.35Å |
| 341 | N | 35.7 | Very low | 32.8 | Very low | 152 Ų | 152 | 122.4 Ų | 122.4 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | | | trans | -67.8 | 60 | 169.8 | -70.9 | -33.7 | 0 | 0 | 0 | 110.4 | P343 | N341-P343 VanDerWaalsContact O-CD 3.25Å; N341-P343 WeakPolarHBondContact O-CD 3.48Å |
| 342 | N | 31.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 67% | 0.666 | S | S | * | * | | | trans | -84.4 | 110.3 | 164.8 | -83.5 | -30.9 | 0 | 0 | 0 | 106.1 | T340 T344 | T340-N342 PolarHBondContact O-N 3.35Å; N342-T344 PolarHBondContact O-N 3.23Å |
| 343 | P | 33.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | | | trans | -59.2 | 104.4 | 173.5 | 25.2 | -32.2 | 0 | 0 | 0 | 107.3 | N341 T345 | N341-P343 VanDerWaalsContact O-CD 3.25Å; N341-P343 WeakPolarHBondContact O-CD 3.48Å; P343-T345 VanDerWaalsContact C-N 3.32Å; P343-T345 PolarHBondContact O-N 2.94Å |
| 344 | T | 33.8 | Very low | 33.3 | Very low | 106 Ų | 106 | 112.2 Ų | 112.2 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | | | trans | -67.8 | 100.8 | 170.6 | 1.4 | 0 | 0 | 0 | 0 | 104.8 | N342 N346 | N342-T344 PolarHBondContact O-N 3.23Å; T344-N346 PolarHBondContact O-N 3.02Å |
| 345 | T | 35.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | | | trans | -64.9 | 85.9 | 170.8 | 30.2 | 0 | 0 | 0 | 0 | 107.4 | P343 T347 | P343-T345 VanDerWaalsContact C-N 3.32Å; P343-T345 PolarHBondContact O-N 2.94Å; T345-T347 VanDerWaalsContact C-N 3.28Å; T345-T347 PolarHBondContact O-N 3.15Å |
| 346 | N | 35.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | | | trans | -68.4 | 92.9 | 171.1 | -75.8 | -33.4 | 0 | 0 | 0 | 107.3 | T344 T348 | T344-N346 PolarHBondContact O-N 3.02Å; N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.96Å; N346-T348 PolarHBondContact O-OG1 2.87Å |
| 347 | T | 32.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 69% | 0.693 | 61% | 0.609 | S | S | * | * | | | trans | -65.1 | 96.7 | 171.7 | 40.6 | 0 | 0 | 0 | 0 | 108.1 | T345 I349 | T345-T347 VanDerWaalsContact C-N 3.28Å; T345-T347 PolarHBondContact O-N 3.15Å; T347-I349 PolarHBondContact O-N 3.41Å |
| 348 | T | 34 | Very low | 34.1 | Very low | 91 Ų | 91 | 111 Ų | 111 | 56% | 0.558 | 60% | 0.597 | S | S | * | * | | | trans | -79.4 | 112.3 | 173.8 | -48.9 | 0 | 0 | 0 | 0 | 107.2 | N346 E350 | N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.96Å; N346-T348 PolarHBondContact O-OG1 2.87Å; T348-E350 PolarHBondContact O-N 3.22Å |
| 349 | I | 32.4 | Very low | 34.7 | Very low | 87 Ų | 87 | 106.4 Ų | 106.4 | 45% | 0.446 | 59% | 0.592 | S | S | . | * | | | trans | -83.2 | 101.8 | 177.9 | -57.3 | 170.8 | 0 | 0 | 0 | 107.4 | R130 T347 | R130-I349 HydrophobicContact CG-CG2 4.28Å; T347-I349 PolarHBondContact O-N 3.41Å |
| 350 | E | 33.8 | Very low | 35.2 | Very low | 120 Ų | 120 | 104.8 Ų | 104.8 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | | | trans | -91.6 | 120.4 | 167.9 | -71.2 | -173.1 | 175.3 | 0 | 0 | 109.4 | T348 | T348-E350 PolarHBondContact O-N 3.22Š|
| 351 | T | 31.6 | Very low | 35.6 | Very low | 92 Ų | 92 | 108.1 Ų | 108.1 | 56% | 0.564 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.5 | 169.4 | 45.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 352 | K | 35.5 | Very low | 35.9 | Very low | 96 Ų | 96 | 108 Ų | 108 | 42% | 0.417 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.1 | 167.8 | -71.7 | -177.5 | -180 | 176.1 | 0 | 109.9 | I354 | K352-I354 PolarHBondContact O-N 3.13Å |
| 353 | Q | 34.3 | Very low | 36.1 | Very low | 88 Ų | 88 | 110.3 Ų | 110.3 | 41% | 0.411 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.7 | 168.9 | -173.3 | 174.8 | -4.3 | 0 | 0 | 107.7 | P126 W128 W355 | P126-Q353 HydrophobicContact CB-CG 4.02Å; P126-Q353 VanDerWaalsContact CB-NE2 3.28Å; W128-Q353 HydrophobicContact CE3-CB 4.35Å; W128-Q353 HydrophobicContact CH2-CB 4.22Å; W128-Q353 HydrophobicContact CZ3-CB 3.96Å; Q353-W355 VanDerWaalsContact NE2-CH2 3.31Å |
| 354 | I | 40.6 | Very low | 36.4 | Very low | 66 Ų | 66 | 110 Ų | 110 | 34% | 0.338 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.1 | 175 | -52.4 | -174.7 | 0 | 0 | 0 | 107.4 | T127 A129 K352 | T127-I354 PolarHBondContact N-O 2.93Å; T127-I354 PolarHBondContact O-N 2.77Å; A129-I354 HydrophobicContact CB-CD1 3.68Å; A129-I354 HydrophobicContact CB-CG1 4.26Å; K352-I354 PolarHBondContact O-N 3.13Å |
| 355 | W | 34.6 | Very low | 36.8 | Very low | 152 Ų | 152 | 112.7 Ų | 112.7 | 58% | 0.576 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.3 | 175.6 | -58.8 | 99.6 | 0 | 0 | 0 | 107.9 | I124 P126 Q353 | I124-W355 HydrophobicContact CB-CE3 4.18Å; I124-W355 HydrophobicContact CG2-CB 3.99Å; I124-W355 HydrophobicContact CG2-CD2 4.28Å; I124-W355 HydrophobicContact CG2-CE3 3.54Å; I124-W355 HydrophobicContact CG2-CZ3 4.36Å; P126-W355 HydrophobicContact CB-CE3 4.16Å; P126-W355 HydrophobicContact CB-CH2 4.19Å; P126-W355 HydrophobicContact CB-CZ3 3.8Å; P126-W355 HydrophobicContact CG-CZ3 4.25Å; Q353-W355 VanDerWaalsContact NE2-CH2 3.31Å |
| 356 | K | 37.2 | Very low | 37.1 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 59% | 0.591 | 61% | 0.606 | S | S | * | * | | | trans | -107.1 | 130.4 | 171.4 | -70.7 | -172.1 | 176.1 | -176 | 0 | 108.6 | I358 | K356-I358 PolarHBondContact O-N 2.76Š|
| 357 | A | 35.3 | Very low | 37.2 | Very low | 91 Ų | 91 | 115.5 Ų | 115.5 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 358 | I | 37.7 | Very low | 37.4 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 125.8 | 171 | -57.9 | 173 | 0 | 0 | 0 | 106.3 | K356 A360 | K356-I358 PolarHBondContact O-N 2.76Å; I358-A360 PolarHBondContact O-N 2.92Å; I358-A360 VanDerWaalsContact O-N 3.13Å |
| 359 | P | 41.3 | Very low | 37.5 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 69% | 0.688 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 119.3 | 171.2 | 24.6 | -30.1 | 0 | 0 | 0 | 107.9 | Q361 | P359-Q361 VanDerWaalsContact C-N 3.3Å; P359-Q361 PolarHBondContact O-N 3.19Å |
| 360 | A | 39 | Very low | 37.8 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 54% | 0.537 | 64% | 0.641 | S | S | . | * | | | trans | -63 | 94.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | I358 N362 W363 | I358-A360 PolarHBondContact O-N 2.92Å; I358-A360 VanDerWaalsContact O-N 3.13Å; A360-N362 PolarHBondContact O-N 2.83Å; A360-W363 HydrophobicContact CB-CD2 4.4Å; A360-W363 HydrophobicContact CB-CG 4.11Å |
| 361 | Q | 41.5 | Very low | 37.9 | Very low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 116.7 | 176.7 | -155.8 | 151.9 | -5.6 | 0 | 0 | 106.2 | P359 | P359-Q361 VanDerWaalsContact C-N 3.3Å; P359-Q361 PolarHBondContact O-N 3.19Å |
| 362 | N | 42.7 | Very low | 38.2 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.4 | 22.7 | 174.8 | -42.4 | -35.7 | 0 | 0 | 0 | 118.2 | A360 S364 | A360-N362 PolarHBondContact O-N 2.83Å; N362-S364 PolarHBondContact O-N 2.77Å |
| 363 | W | 34.2 | Very low | 38.2 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 65% | 0.648 | 67% | 0.668 | S | S | * | * | | | trans | -84.2 | 106.4 | 165.8 | -76.4 | 31.6 | 0 | 0 | 0 | 108.7 | A360 D365 | A360-W363 HydrophobicContact CB-CD2 4.4Å; A360-W363 HydrophobicContact CB-CG 4.11Å; W363-D365 PolarHBondContact O-N 3.21Å |
| 364 | S | 40.7 | Very low | 38.3 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | | | trans | -65.3 | 121 | 175.3 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | N362 T366 | N362-S364 PolarHBondContact O-N 2.77Å; S364-T366 PolarHBondContact O-N 2.96Å |
| 365 | D | 42.7 | Very low | 38.1 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -63.6 | 10.8 | 178.6 | -86.5 | -38.3 | 0 | 0 | 0 | 114.2 | W363 Q367 | W363-D365 PolarHBondContact O-N 3.21Å; D365-Q367 PolarHBondContact O-N 2.82Å |
| 366 | T | 41 | Very low | 38.2 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -86.2 | 2.5 | -164.2 | -4.5 | 0 | 0 | 0 | 0 | 115.7 | S364 | S364-T366 PolarHBondContact O-N 2.96Š|
| 367 | Q | 39 | Very low | 38.1 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 77% | 0.771 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -137.2 | 52.7 | 174.3 | -66.2 | -164.7 | 3.6 | 0 | 0 | 112.3 | D365 T369 | D365-Q367 PolarHBondContact O-N 2.82Å; Q367-T369 PolarHBondContact O-N 2.79Å |
| 368 | R | 35.1 | Very low | 38 | Very low | 227 Ų | 227 | 135 Ų | 135 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | | | trans | -71.9 | 67.1 | 155.3 | -164.7 | -177.4 | -95.3 | -122.4 | 2.5 | 108.1 | V370 | R368-V370 PolarHBondContact O-N 2.78Š|
| 369 | T | 37.2 | Very low | 37.7 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 64% | 0.638 | 74% | 0.736 | S | S | * | * | | | trans | -64.9 | 103 | 172.7 | -40.5 | 0 | 0 | 0 | 0 | 105.9 | Q367 R371 | Q367-T369 PolarHBondContact O-N 2.79Å; T369-R371 PolarHBondContact O-N 3.03Å |
| 370 | V | 39.6 | Very low | 37.4 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | | | trans | -64.9 | 82.3 | 175.9 | -172.2 | 0 | 0 | 0 | 0 | 106.7 | R368 S372 | R368-V370 PolarHBondContact O-N 2.78Å; V370-S372 PolarHBondContact O-N 2.95Å; V370-S372 VanDerWaalsContact O-N 3.09Å |
| 371 | R | 35.5 | Very low | 37 | Very low | 214 Ų | 214 | 146.8 Ų | 146.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | | | trans | -65.5 | 114.7 | 173.4 | -89.5 | -175.2 | 169.8 | -124.8 | 6.4 | 106.6 | T369 G373 | T369-R371 PolarHBondContact O-N 3.03Å; R371-G373 PolarHBondContact O-N 2.93Å |
| 372 | S | 38.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -64.1 | 66 | 166.8 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | V370 T374 | V370-S372 PolarHBondContact O-N 2.95Å; V370-S372 VanDerWaalsContact O-N 3.09Å; S372-T374 PolarHBondContact O-N 2.83Å; S372-T374 VanDerWaalsContact O-N 3.15Å |
| 373 | G | 33.7 | Very low | 36.3 | Very low | 48 Ų | 48 | 144.5 Ų | 144.5 | 50% | 0.495 | 76% | 0.757 | S | S | . | * | | | trans | -67.7 | 111.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | R371 F375 | R371-G373 PolarHBondContact O-N 2.93Å; G373-F375 PolarHBondContact O-N 2.94Å |
| 374 | T | 36.5 | Very low | 36.3 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -57.6 | 104.4 | 174.1 | -36.3 | 0 | 0 | 0 | 0 | 108.1 | S372 I376 | S372-T374 PolarHBondContact O-N 2.83Å; S372-T374 VanDerWaalsContact O-N 3.15Å; T374-I376 PolarHBondContact O-N 3.35Å |
| 375 | F | 38 | Very low | 35.9 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -61.3 | 115.6 | 174.8 | -68.2 | -86 | 0 | 0 | 0 | 107.9 | G373 T377 | G373-F375 PolarHBondContact O-N 2.94Å; F375-T377 HydrophobicContact CB-CG2 4.22Å; F375-T377 PolarHBondContact O-N 2.82Å |
| 376 | I | 35.6 | Very low | 35.6 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | | | trans | -69.1 | 81.1 | 167.1 | -53.2 | 174.2 | 0 | 0 | 0 | 105.9 | T374 T378 | T374-I376 PolarHBondContact O-N 3.35Å; I376-T378 PolarHBondContact O-N 2.88Å; I376-T378 VanDerWaalsContact O-N 3.09Å |
| 377 | T | 35.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | | | trans | -72.6 | 103.7 | 172.2 | 42.6 | 0 | 0 | 0 | 0 | 106.6 | F375 T379 | F375-T377 HydrophobicContact CB-CG2 4.22Å; F375-T377 PolarHBondContact O-N 2.82Å; T377-T379 PolarHBondContact O-N 2.85Å; T377-T379 PolarHBondContact O-OG1 2.75Å |
| 378 | T | 32.6 | Very low | 35.5 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -69.6 | 77.4 | 166.6 | 49.7 | 0 | 0 | 0 | 0 | 107.7 | I376 K380 | I376-T378 PolarHBondContact O-N 2.88Å; I376-T378 VanDerWaalsContact O-N 3.09Å; T378-K380 VanDerWaalsContact C-N 3.27Å; T378-K380 PolarHBondContact O-N 2.97Å |
| 379 | T | 32.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | | | trans | -68.8 | 93.2 | 169.4 | 19.1 | 0 | 0 | 0 | 0 | 106.9 | T377 K381 | T377-T379 PolarHBondContact O-N 2.85Å; T377-T379 PolarHBondContact O-OG1 2.75Å; T379-K381 PolarHBondContact O-N 3.04Å |
| 380 | K | 33.6 | Very low | 35.9 | Very low | 185 Ų | 185 | 148 Ų | 148 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -52.9 | 112.8 | 157.6 | -73.9 | -177.3 | 176.8 | -179.6 | 0 | 105.6 | T378 L382 | T378-K380 VanDerWaalsContact C-N 3.27Å; T378-K380 PolarHBondContact O-N 2.97Å; K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 3.43Å |
| 381 | K | 31.9 | Very low | 35.7 | Very low | 207 Ų | 207 | 146.4 Ų | 146.4 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | | | trans | -54.5 | 99.1 | 172.7 | -80.6 | -179.8 | 172.7 | 179.8 | 0 | 107.5 | T379 | T379-K381 PolarHBondContact O-N 3.04Š|
| 382 | L | 33.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -72.3 | 128.9 | 159.9 | -85.7 | 99.4 | 0 | 0 | 0 | 106.8 | K380 N384 | K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 3.43Å; L382-N384 PolarHBondContact O-N 3.13Å |
| 383 | P | 34.4 | Very low | 35.6 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -65.6 | 124.9 | -179.9 | 25.2 | -31 | 0 | 0 | 0 | 110.2 | G385 | P383-G385 PolarHBondContact O-N 3.23Š|
| 384 | N | 33.6 | Very low | 35.9 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | | | trans | 41.5 | 69.7 | 155.9 | -62.7 | 6.3 | 0 | 0 | 0 | 116.9 | L382 | L382-N384 PolarHBondContact O-N 3.13Š|
| 385 | G | 33.6 | Very low | 36 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -120.4 | 116.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P383 R387 | P383-G385 PolarHBondContact O-N 3.23Å; G385-R387 PolarHBondContact O-N 2.92Å |
| 386 | R | 35.7 | Very low | 35.8 | Very low | 249 Ų | 249 | 143.5 Ų | 143.5 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | | | trans | -45.1 | 128 | 179 | -76.5 | 175.9 | 171.4 | 177 | -4.1 | 111.2 | P388 | R386-P388 WeakPolarHBondContact O-CD 3.42Š|
| 387 | R | 36.4 | Very low | 35.8 | Very low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -57.1 | 126.7 | 167.6 | -88.3 | -178.9 | 171 | -179.1 | -3.5 | 108.6 | G385 D389 | G385-R387 PolarHBondContact O-N 2.92Å; R387-D389 PolarHBondContact O-N 3.18Å |
| 388 | P | 41 | Very low | 35.9 | Very low | 109 Ų | 109 | 142 Ų | 142 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | trans | -73.4 | 121.3 | 162.8 | 26 | -24.7 | 0 | 0 | 0 | 108.4 | R386 V390 | R386-P388 WeakPolarHBondContact O-CD 3.42Å; P388-V390 PolarHBondContact O-N 2.89Å; P388-V390 VanDerWaalsContact O-N 3.09Å |
| 389 | D | 40.1 | Very low | 35.9 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | | | trans | -59 | 105.2 | 163.6 | -87.4 | -41 | 0 | 0 | 0 | 107.8 | R387 | R387-D389 PolarHBondContact O-N 3.18Š|
| 390 | V | 41.9 | Very low | 36.1 | Very low | 114 Ų | 114 | 152 Ų | 152 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | trans | -100 | 90.7 | 167.6 | -172 | 0 | 0 | 0 | 0 | 105.9 | P388 N392 | P388-V390 PolarHBondContact O-N 2.89Å; P388-V390 VanDerWaalsContact O-N 3.09Å; V390-N392 PolarHBondContact O-N 3.37Å |
| 391 | S | 35.7 | Very low | 36.2 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 66% | 0.664 | 82% | 0.821 | S | S | * | * | | | trans | -59.6 | 109.9 | 166.2 | 48.5 | 0 | 0 | 0 | 0 | 108.5 | E393 | S391-E393 PolarHBondContact O-N 3.29Š|
| 392 | N | 36.7 | Very low | 36.4 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | | | trans | -71.8 | 85 | 165.9 | -79.7 | -27.1 | 0 | 0 | 0 | 107.9 | V390 S394 | V390-N392 PolarHBondContact O-N 3.37Å; N392-S394 PolarHBondContact O-N 3.2Å; N392-S394 VanDerWaalsContact O-N 3.1Å |
| 393 | E | 34.9 | Very low | 36.6 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | trans | -68.8 | 102.6 | 160.8 | -82.8 | -177.5 | 163.7 | 0 | 0 | 107.7 | S391 S395 | S391-E393 PolarHBondContact O-N 3.29Å; E393-S395 VanDerWaalsContact C-N 3.3Å; E393-S395 PolarHBondContact O-N 3.01Å |
| 394 | S | 39.3 | Very low | 36.7 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -65 | 90.5 | 166.3 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | N392 G396 | N392-S394 PolarHBondContact O-N 3.2Å; N392-S394 VanDerWaalsContact O-N 3.1Å; S394-G396 PolarHBondContact O-N 2.88Å |
| 395 | S | 39.3 | Very low | 36.9 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -70.7 | 85.3 | 166.6 | 58.6 | 0 | 0 | 0 | 0 | 108.5 | E393 V397 | E393-S395 VanDerWaalsContact C-N 3.3Å; E393-S395 PolarHBondContact O-N 3.01Å; S395-V397 PolarHBondContact O-N 2.86Å |
| 396 | G | 34.3 | Very low | 37.1 | Very low | 73 Ų | 73 | 152.5 Ų | 152.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | trans | -65.4 | 113.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | S394 S398 | S394-G396 PolarHBondContact O-N 2.88Å; G396-S398 PolarHBondContact O-N 3.1Å |
| 397 | V | 34.3 | Very low | 37.2 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -83.2 | 100.8 | 165.9 | -176.9 | 0 | 0 | 0 | 0 | 105.7 | S395 | S395-V397 PolarHBondContact O-N 2.86Š|
| 398 | S | 37.5 | Very low | 37.3 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -78.5 | 118.9 | 170.8 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | G396 F400 | G396-S398 PolarHBondContact O-N 3.1Å; S398-F400 PolarHBondContact O-N 2.85Å |
| 399 | E | 32.3 | Very low | 37 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -71.3 | 102.9 | 166.4 | -69.5 | 178.4 | 166.6 | 0 | 0 | 108.3 | | |
| 400 | F | 37.5 | Very low | 36.7 | Very low | 269 Ų | 269 | 138.8 Ų | 138.8 | 100% | 1.18 | 81% | 0.808 | S | S | * | * | | | trans | -142.4 | 0 | 155.1 | -92.6 | -69.7 | 0 | 0 | 0 | 109.1 | S398 | S398-F400 PolarHBondContact O-N 2.85Š|