| 1 | M | 45.9 | Very low | 44.7 | Very low | 241 Ų | 241 | 144.8 Ų | 144.8 | 100% | 1.187 | 85% | 0.848 | S | S | * | * | | | | 0 | 156 | 0 | -74.5 | 62.9 | 164.7 | 0 | 0 | 108.3 | | |
| 2 | A | 38 | Very low | 45.5 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 137.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 3 | E | 45.1 | Very low | 46 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 142.5 | 176.9 | -163.3 | 170.5 | 174.8 | 0 | 0 | 109.1 | | |
| 4 | A | 47.3 | Very low | 46.1 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 67% | 0.669 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 138.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 5 | P | 52.9 | Low | 46.6 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68 | 134.9 | 173.9 | 29.1 | -33.7 | 0 | 0 | 0 | 110.4 | | |
| 6 | L | 47.3 | Very low | 46.9 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.9 | 175.1 | -66.7 | 169 | 0 | 0 | 0 | 110.7 | | |
| 7 | S | 38.8 | Very low | 47.9 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | | | trans | -87.4 | 113.6 | 177 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | D9 | S7-D9 PolarHBondContact O-N 2.95Š|
| 8 | C | 37.5 | Very low | 49 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -89.1 | 91.3 | 170 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 9 | D | 38.6 | Very low | 50 | Low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | | | trans | -106 | 97.8 | 165.6 | -91.4 | -70.3 | 0 | 0 | 0 | 108.7 | S7 | S7-D9 PolarHBondContact O-N 2.95Š|
| 10 | E | 44.8 | Very low | 50.4 | Low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | -110.9 | 119.8 | 168.5 | -171.3 | -171.8 | 141.5 | 0 | 0 | 108.8 | | |
| 11 | P | 55.3 | Low | 50.8 | Low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 138.6 | 172.5 | 30.9 | -32.7 | 0 | 0 | 0 | 110 | | |
| 12 | P | 54.3 | Low | 52 | Low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.5 | -178.2 | 27.1 | -35.3 | 0 | 0 | 0 | 111.4 | N14 | P12-N14 PolarHBondContact O-N 3.44Š|
| 13 | P | 52 | Low | 53.3 | Low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130.9 | -179.7 | 25 | -34 | 0 | 0 | 0 | 111.2 | V15 | P13-V15 PolarHBondContact O-N 3.3Å; P13-V15 VanDerWaalsContact O-N 3.12Å |
| 14 | N | 47.8 | Very low | 54.1 | Low | 166 Ų | 166 | 135.1 Ų | 135.1 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | -63.7 | 112.1 | 170.6 | -100.5 | -34.6 | 0 | 0 | 0 | 109.2 | P12 E16 | P12-N14 PolarHBondContact O-N 3.44Å; N14-E16 PolarHBondContact O-N 3.3Å; N14-E16 VanDerWaalsContact O-N 3.11Å |
| 15 | V | 54 | Low | 54.6 | Low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | | | trans | -74.8 | 100 | 168.7 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | P13 I17 | P13-V15 PolarHBondContact O-N 3.3Å; P13-V15 VanDerWaalsContact O-N 3.12Å; V15-I17 PolarHBondContact O-N 3.47Å; V15-I17 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 51.2 | Low | 54.8 | Low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -67.5 | 104.5 | 177.1 | -166 | 163 | -134.4 | 0 | 0 | 109 | N14 D18 | N14-E16 PolarHBondContact O-N 3.3Å; N14-E16 VanDerWaalsContact O-N 3.11Å; E16-D18 PolarHBondContact O-N 2.64Å |
| 17 | I | 62.9 | Low | 55.2 | Low | 140 Ų | 140 | 139.4 Ų | 139.4 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | | | trans | -75.7 | 117.8 | -178 | -59.3 | 175.8 | 0 | 0 | 0 | 108.4 | V15 | V15-I17 PolarHBondContact O-N 3.47Å; V15-I17 VanDerWaalsContact O-N 3.09Å |
| 18 | D | 67.9 | Low | 56 | Low | 92 Ų | 92 | 145.6 Ų | 145.6 | 49% | 0.492 | 76% | 0.755 | S | S | . | * | | | trans | -50.9 | 119.9 | 176.8 | 178.1 | 1.5 | 0 | 0 | 0 | 111.5 | E16 D20 F21 | E16-D18 PolarHBondContact O-N 2.64Å; D18-D20 PolarHBondContact O-N 3.24Å; D18-D20 PolarHBondContact OD1-N 3.45Å; D18-F21 HydrophobicContact CB-CB 4.28Å; D18-F21 VanDerWaalsContact O-CB 3.28Å; D18-F21 WeakPolarHBondContact O-CB 3.47Å; D18-F21 PolarHBondContact O-N 2.6Å |
| 19 | P | 68.6 | Low | 56.8 | Low | 129 Ų | 129 | 143.5 Ų | 143.5 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -18 | -178.3 | 27.9 | -35.5 | 0 | 0 | 0 | 114.1 | | |
| 20 | D | 58.2 | Low | 57.5 | Low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 5.6 | 175.6 | -87.9 | -17.9 | 0 | 0 | 0 | 113.2 | D18 E22 | D18-D20 PolarHBondContact O-N 3.24Å; D18-D20 PolarHBondContact OD1-N 3.45Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.35Å |
| 21 | F | 58.2 | Low | 58.1 | Low | 155 Ų | 155 | 137.4 Ų | 137.4 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | | | trans | -74 | 72 | -178.6 | -155.4 | -89 | 0 | 0 | 0 | 113.2 | D18 P23 | D18-F21 HydrophobicContact CB-CB 4.28Å; D18-F21 VanDerWaalsContact O-CB 3.28Å; D18-F21 WeakPolarHBondContact O-CB 3.47Å; D18-F21 PolarHBondContact O-N 2.6Å; F21-P23 WeakPolarHBondContact O-CD 3.18Å |
| 22 | E | 70.5 | Confident | 58.4 | Low | 137 Ų | 137 | 141.7 Ų | 141.7 | 64% | 0.64 | 73% | 0.727 | S | S | * | * | | | trans | -63.3 | 120.4 | 176.6 | -162.7 | -167 | -166.5 | 0 | 0 | 110.6 | D20 Q24 K25 | D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.35Å; E22-Q24 PolarHBondContact O-N 2.85Å; E22-Q24 VanDerWaalsContact O-N 3.07Å; E22-K25 VanDerWaalsContact CD-NZ 3.26Å; E22-K25 IonicContact OE1-NZ 2.6Å; E22-K25 PolarHBondContact OE1-NZ 3.17Å; E22-K25 IonicContact OE2-NZ 3.35Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å |
| 23 | P | 65.1 | Low | 58.8 | Low | 103 Ų | 103 | 141.7 Ų | 141.7 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | | | trans | -66.5 | 113.9 | -175.2 | 24.9 | -34 | 0 | 0 | 0 | 111.4 | F21 K25 | F21-P23 WeakPolarHBondContact O-CD 3.18Å; P23-K25 PolarHBondContact O-N 2.81Å; P23-K25 VanDerWaalsContact O-N 3.16Å |
| 24 | Q | 62.1 | Low | 58.9 | Low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | | | trans | -50 | 120.3 | -178.3 | -81.2 | -171.4 | -18.7 | 0 | 0 | 112.5 | E22 R26 | E22-Q24 PolarHBondContact O-N 2.85Å; E22-Q24 VanDerWaalsContact O-N 3.07Å; Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 3.28Å |
| 25 | K | 57.7 | Low | 59.1 | Low | 164 Ų | 164 | 139.6 Ų | 139.6 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | trans | -72.7 | 82.8 | -177.3 | -59.1 | -180 | -175.1 | 82.9 | 0 | 110.5 | E22 P23 | E22-K25 VanDerWaalsContact CD-NZ 3.26Å; E22-K25 IonicContact OE1-NZ 2.6Å; E22-K25 PolarHBondContact OE1-NZ 3.17Å; E22-K25 IonicContact OE2-NZ 3.35Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å; P23-K25 PolarHBondContact O-N 2.81Å; P23-K25 VanDerWaalsContact O-N 3.16Å |
| 26 | R | 58.4 | Low | 58.8 | Low | 216 Ų | 216 | 144.2 Ų | 144.2 | 82% | 0.815 | 72% | 0.72 | S | S | * | * | | | trans | -54 | 144.6 | 176.8 | -68.6 | -176.6 | 179.2 | 177.4 | 0.1 | 111.3 | Q24 | Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 3.28Å |
| 27 | P | 54.9 | Low | 59 | Low | 89 Ų | 89 | 141 Ų | 141 | 58% | 0.578 | 72% | 0.715 | S | S | * | * | | | trans | -60.5 | 140 | -179.1 | 24.5 | -34.1 | 0 | 0 | 0 | 111.7 | S29 C30 | P27-S29 PolarHBondContact O-N 3.36Å; P27-C30 PolarHBondContact O-N 3.09Å |
| 28 | R | 55.1 | Low | 58.1 | Low | 237 Ų | 237 | 143.4 Ų | 143.4 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 3.1 | -168.7 | -54 | -176.3 | 78.1 | 126.2 | 1.1 | 114.7 | | |
| 29 | S | 55.9 | Low | 57 | Low | 84 Ų | 84 | 145.2 Ų | 145.2 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -18 | 172.1 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | P27 | P27-S29 PolarHBondContact O-N 3.36Š|
| 30 | C | 53.1 | Low | 55.5 | Low | 91 Ų | 91 | 142.5 Ų | 142.5 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -92.8 | 0.2 | -176.1 | -61.7 | 0 | 0 | 0 | 0 | 114.6 | P27 | P27-C30 PolarHBondContact O-N 3.09Š|
| 31 | T | 57.8 | Low | 54.8 | Low | 107 Ų | 107 | 141 Ų | 141 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -99.1 | 101.3 | 178.6 | -52.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 32 | W | 60.8 | Low | 53.6 | Low | 199 Ų | 199 | 137 Ų | 137 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -82.9 | 148.9 | 172.2 | -79.7 | 84 | 0 | 0 | 0 | 111.8 | L34 | W32-L34 HydrophobicContact CH2-CD1 4.09Å; W32-L34 HydrophobicContact CZ2-CD1 4.36Å; W32-L34 HydrophobicContact CZ3-CD1 4.44Å |
| 33 | P | 62.8 | Low | 52.1 | Low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -87.4 | 149.9 | -2.3 | 34.9 | -33.9 | 0 | 0 | 0 | 113.5 | | |
| 34 | L | 53.7 | Low | 50.8 | Low | 112 Ų | 112 | 141.7 Ų | 141.7 | 59% | 0.586 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.6 | 173.4 | -72.6 | 162.3 | 0 | 0 | 0 | 111.6 | W32 | W32-L34 HydrophobicContact CH2-CD1 4.09Å; W32-L34 HydrophobicContact CZ2-CD1 4.36Å; W32-L34 HydrophobicContact CZ3-CD1 4.44Å |
| 35 | P | 52.3 | Low | 49.6 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 144.6 | 174.2 | 28.2 | -34 | 0 | 0 | 0 | 111 | | |
| 36 | R | 48 | Very low | 48.6 | Very low | 222 Ų | 222 | 133 Ų | 133 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 138 | 176.2 | -176.9 | 178 | -65.3 | -171.7 | 0.6 | 109.4 | E38 | R36-E38 PolarHBondContact O-N 3.11Š|
| 37 | P | 54.4 | Low | 47.5 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 124.4 | 172.3 | 25.4 | -34 | 0 | 0 | 0 | 110.1 | | |
| 38 | E | 45 | Very low | 46.5 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -88 | 118.3 | -177.8 | -59.5 | -158.5 | 124.6 | 0 | 0 | 110.8 | R36 G40 | R36-E38 PolarHBondContact O-N 3.11Å; E38-G40 PolarHBondContact O-N 3.01Å; E38-G40 VanDerWaalsContact O-N 3.17Å |
| 39 | S | 45.5 | Very low | 45.6 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -81.9 | 87.5 | 173.6 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 40 | G | 35.9 | Very low | 44.7 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -144.1 | 130.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E38 | E38-G40 PolarHBondContact O-N 3.01Å; E38-G40 VanDerWaalsContact O-N 3.17Å |
| 41 | A | 43 | Very low | 43.9 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 96% | 0.959 | 79% | 0.787 | S | S | * | * | | | trans | -85.9 | 141 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 42 | G | 34 | Very low | 42.5 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -156.6 | 134.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 43 | K | 39.7 | Very low | 41.4 | Very low | 208 Ų | 208 | 128.3 Ų | 128.3 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | -64.1 | 142.3 | -179.1 | -62.7 | 175.5 | 175.2 | -178.9 | 0 | 112 | | |
| 44 | P | 37.8 | Very low | 39.9 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | trans | -77.4 | 158.3 | 146.8 | 35.4 | -32.3 | 0 | 0 | 0 | 110.2 | | |
| 45 | G | 35.4 | Very low | 39.3 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 176.5 | 114.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 46 | A | 38 | Very low | 38.6 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | | | trans | -172.7 | 128.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 47 | N | 34.7 | Very low | 37.9 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | | | trans | 66.9 | 165.2 | 158 | -43.8 | -18.1 | 0 | 0 | 0 | 117.1 | | |
| 48 | D | 34.8 | Very low | 37.1 | Very low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | | | | -162.5 | 161.7 | -52.2 | -148.2 | -74.4 | 0 | 0 | 0 | 107.4 | | |
| 49 | A | 35.6 | Very low | 36.9 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | 59.4 | 148.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 50 | D | 37.1 | Very low | 36.3 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | | | trans | -58.8 | 149.5 | -175.9 | -52.8 | -92.3 | 0 | 0 | 0 | 116.2 | | |
| 51 | V | 35.3 | Very low | 36.1 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | | | | 172.4 | 115.2 | 112.3 | 155.7 | 0 | 0 | 0 | 0 | 109.4 | P53 | V51-P53 HydrophobicContact CG1-CG 4.12Š|
| 52 | I | 29.9 | Very low | 35.5 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 86% | 0.862 | 81% | 0.813 | S | S | * | * | | | trans | -134.8 | 108.9 | 156.9 | -60.1 | 179.5 | 0 | 0 | 0 | 106 | | |
| 53 | P | 37.1 | Very low | 35.4 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 59% | 0.591 | 81% | 0.814 | S | S | * | * | | | trans | -78.3 | 131.1 | 170.9 | -8.6 | 26.7 | 0 | 0 | 0 | 110.3 | V51 | V51-P53 HydrophobicContact CG1-CG 4.12Š|
| 54 | E | 31.7 | Very low | 35 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | 48.7 | 115.7 | 133.2 | -61.7 | 172.2 | 150.8 | 0 | 0 | 118.6 | | |
| 55 | E | 40.1 | Very low | 34.5 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | | | trans | -100.5 | 148.5 | 161.5 | -61.5 | -177 | -125.4 | 0 | 0 | 109.3 | | |
| 56 | E | 37.8 | Very low | 34 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | 75.1 | 118.3 | 169 | -50.2 | -167.2 | 138.3 | 0 | 0 | 118.9 | | |
| 57 | D | 33.6 | Very low | 33.4 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | | | trans | -150.7 | 90.4 | 167.1 | -144.8 | -0 | 0 | 0 | 0 | 108.7 | | |
| 58 | D | 36.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -153.9 | 109 | 165.4 | -151.8 | -36 | 0 | 0 | 0 | 111.1 | | |
| 59 | E | 41.2 | Very low | 32.8 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | 27.1 | 117.2 | 160.5 | -67.9 | -71.4 | 146.5 | 0 | 0 | 121.3 | | |
| 60 | G | 33.1 | Very low | 32.4 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 158.2 | 87.4 | 158 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 61 | G | 31.7 | Very low | 31.9 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -86.6 | -170.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 62 | S | 30.1 | Very low | 31.5 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | 94.8 | 61.4 | 171.5 | -162.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 63 | A | 32.4 | Very low | 31.4 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | | 60.8 | 163.7 | 120.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 64 | E | 30.3 | Very low | 31.2 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | 84 | 73 | 159.4 | -49.1 | -146.9 | 128.1 | 0 | 0 | 121.5 | | |
| 65 | N | 27.4 | Very low | 31.5 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | | 66.4 | 156.3 | 115.2 | -160.9 | 28.4 | 0 | 0 | 0 | 123 | | |
| 66 | C | 26.2 | Very low | 31.1 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | | | trans | 73.1 | 104.1 | 159.1 | -87.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 67 | S | 24.8 | Very low | 30.8 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | | 51.5 | 112.5 | 111.3 | -56.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 68 | V | 29.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | | 51.4 | 106.6 | 122.8 | -176.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 69 | Q | 26.3 | Very low | 31.3 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | | -172.4 | 133.5 | 127.8 | -108.2 | 155.6 | 66.8 | 0 | 0 | 118.6 | | |
| 70 | K | 28 | Very low | 30.8 | Very low | 169 Ų | 169 | 120.8 Ų | 120.8 | 74% | 0.735 | 76% | 0.762 | S | S | * | * | | | trans | 50.6 | 130.9 | 130.6 | -81.2 | -172.5 | 168.5 | -180 | 0 | 125.1 | | |
| 71 | N | 26.9 | Very low | 30.6 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | | 80.3 | 130.2 | 126.9 | -68.8 | 12.7 | 0 | 0 | 0 | 123.3 | | |
| 72 | G | 27.4 | Very low | 30.5 | Very low | 78 Ų | 78 | 120.6 Ų | 120.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 91.1 | 153 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 73 | D | 27.2 | Very low | 30.6 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | cis | -159 | 170.3 | -16.8 | -173.7 | -147.4 | 0 | 0 | 0 | 110.3 | | |
| 74 | S | 33.2 | Very low | 30.4 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | | | trans | -25.1 | 164.1 | 167.7 | -49.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 75 | V | 37.6 | Very low | 30.4 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | cis | -144.1 | -179.3 | 15.5 | -114.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 76 | N | 31.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 122 Ų | 122 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | cis | -142.3 | -171.6 | 15.1 | -107 | -22.8 | 0 | 0 | 0 | 107.9 | | |
| 77 | E | 33.3 | Very low | 30.7 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 61% | 0.607 | 77% | 0.77 | S | S | * | * | | | cis | 73 | 153 | 27.4 | -80.4 | -63.2 | 89.1 | 0 | 0 | 116.8 | S79 | E77-S79 VanDerWaalsContact CD-N 3.25Å; E77-S79 PolarHBondContact OE1-N 3.16Å; E77-S79 PolarHBondContact OE1-OG 3.07Å; E77-S79 WeakPolarHBondContact OE2-CB 3.28Å; E77-S79 PolarHBondContact OE2-N 3.12Å; E77-S79 PolarHBondContact OE2-OG 3.37Å |
| 78 | P | 47.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | cis | -109.9 | 150 | 13.7 | 40 | -31.2 | 0 | 0 | 0 | 118.7 | | |
| 79 | S | 32.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 125 Ų | 125 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | trans | -31.6 | 162.3 | 156.1 | -68.3 | 0 | 0 | 0 | 0 | 118.2 | E77 | E77-S79 VanDerWaalsContact CD-N 3.25Å; E77-S79 PolarHBondContact OE1-N 3.16Å; E77-S79 PolarHBondContact OE1-OG 3.07Å; E77-S79 WeakPolarHBondContact OE2-CB 3.28Å; E77-S79 PolarHBondContact OE2-N 3.12Å; E77-S79 PolarHBondContact OE2-OG 3.37Å |
| 80 | G | 30.3 | Very low | 32 | Very low | 73 Ų | 73 | 122.8 Ų | 122.8 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | cis | 148.6 | 172.9 | -3.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 81 | G | 29.7 | Very low | 32 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | | | trans | 90.8 | 140.2 | 169 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 82 | G | 29.2 | Very low | 32.1 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | cis | 162 | 161.4 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 83 | R | 31.9 | Very low | 32.1 | Very low | 264 Ų | 264 | 125.9 Ų | 125.9 | 100% | 0.996 | 76% | 0.761 | S | S | * | * | | | trans | 69.4 | 143.4 | 168.8 | -57.4 | 165.6 | 147.2 | -116.7 | -5 | 116.8 | | |
| 84 | G | 29.7 | Very low | 32.2 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | cis | 168.4 | 161.8 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 85 | S | 30.1 | Very low | 31.9 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | 25.2 | 151 | 153.3 | -66.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 86 | V | 29.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | cis | -178.2 | 164.7 | -23.6 | 112.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 87 | S | 30.1 | Very low | 32.3 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 80.2 | 158 | 163.4 | -79.3 | 0 | 0 | 0 | 0 | 122 | | |
| 88 | Q | 32 | Very low | 32.2 | Very low | 182 Ų | 182 | 125.2 Ų | 125.2 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | | | trans | -107.3 | -158 | 175.4 | -41.9 | 171.4 | -7.8 | 0 | 0 | 108.9 | | |
| 89 | P | 45.8 | Very low | 31.5 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | | | cis | -136.2 | -165.4 | -17.7 | 36.5 | -14.7 | 0 | 0 | 0 | 113.8 | | |
| 90 | V | 29.7 | Very low | 31.5 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 61.1 | 161.2 | 157.7 | -57.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 91 | E | 26.9 | Very low | 31.6 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -158.2 | 178.2 | -5.6 | -138.3 | -170.3 | 121.2 | 0 | 0 | 112.1 | | |
| 92 | L | 29.5 | Very low | 31.8 | Very low | 127 Ų | 127 | 130 Ų | 130 | 67% | 0.665 | 76% | 0.759 | S | S | * | * | | | trans | 65.9 | 159 | 155.2 | -64.3 | 158 | 0 | 0 | 0 | 118.1 | | |
| 93 | Q | 28.2 | Very low | 32 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | cis | -167 | 150 | -27.1 | 175.5 | 168.6 | 71.2 | 0 | 0 | 109.6 | | |
| 94 | G | 29.1 | Very low | 32 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | trans | 124.7 | 122 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 95 | G | 25.6 | Very low | 32.2 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -107.7 | -147.9 | 147 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 96 | P | 45.2 | Very low | 33.1 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | cis | -140.4 | -169.9 | -4.6 | 35.8 | -14 | 0 | 0 | 0 | 113.8 | | |
| 97 | R | 32.3 | Very low | 33.2 | Very low | 221 Ų | 221 | 126.8 Ų | 126.8 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | 75.4 | 154.1 | 162.4 | -55.2 | 168.2 | -165.7 | -155 | 3.6 | 115.5 | | |
| 98 | K | 32.2 | Very low | 33.3 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | | | cis | -163 | 157.6 | -15.5 | -114.9 | -179.8 | 150.9 | -71.5 | 0 | 110.7 | | |
| 99 | D | 31.1 | Very low | 33.4 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | | | trans | 49.3 | 133.7 | 146.7 | -45.1 | -23 | 0 | 0 | 0 | 123.4 | | |
| 100 | E | 32.5 | Very low | 32.8 | Very low | 192 Ų | 192 | 126.4 Ų | 126.4 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | 62.7 | 151.1 | 146.6 | -69.2 | -156.7 | 97.2 | 0 | 0 | 121.3 | | |
| 101 | A | 32.5 | Very low | 33.2 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | | | cis | -166.1 | -166.2 | -16.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 102 | A | 35.8 | Very low | 34.1 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | 78.7 | 101.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 103 | D | 31.6 | Very low | 34.1 | Very low | 171 Ų | 171 | 123.3 Ų | 123.3 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | | | | 4.9 | 148.4 | 126.6 | -159.5 | 8.9 | 0 | 0 | 0 | 120.5 | | |
| 104 | G | 31.9 | Very low | 34.2 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 159.9 | 86.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 105 | S | 35.2 | Very low | 34.6 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -94.5 | 172.7 | 159.5 | -132.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 106 | P | 48.4 | Very low | 35 | Very low | 107 Ų | 107 | 125 Ų | 125 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | cis | -142 | -175.3 | 10.4 | 43.5 | -24 | 0 | 0 | 0 | 117.1 | | |
| 107 | S | 31.5 | Very low | 34.3 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | 36.3 | 125.4 | 147.5 | -60.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 108 | S | 32.1 | Very low | 34.1 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | | -171.3 | 176.5 | 93.4 | -156.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 109 | A | 35.4 | Very low | 34.3 | Very low | 85 Ų | 85 | 117.1 Ų | 117.1 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | | | trans | -81 | -174.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 110 | Q | 31.6 | Very low | 34.5 | Very low | 169 Ų | 169 | 117 Ų | 117 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | cis | -174.3 | 164.5 | 33.5 | -146.4 | -173.1 | -3.9 | 0 | 0 | 113.4 | | |
| 111 | I | 39.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | 70.5 | 171.5 | 160.1 | 6.3 | -178 | 0 | 0 | 0 | 119.8 | | |
| 112 | P | 45.3 | Very low | 35.8 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | | -136.2 | -176.7 | -113.8 | 47.7 | -29.8 | 0 | 0 | 0 | 118 | | |
| 113 | G | 28.8 | Very low | 36.1 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | 134 | 146.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 114 | A | 31.3 | Very low | 36.8 | Very low | 104 Ų | 104 | 120 Ų | 120 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | 60.6 | 93.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 115 | A | 36.2 | Very low | 37.5 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | 13.1 | 136.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 116 | L | 34.4 | Very low | 38.1 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | | -178.4 | 123.6 | 121.1 | -99.3 | 160.1 | 0 | 0 | 0 | 112.6 | | |
| 117 | C | 30.9 | Very low | 38.1 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | | | trans | 54.6 | 146.4 | 161.4 | -134.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 118 | G | 28.8 | Very low | 39.2 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | cis | 166.3 | 156.9 | -8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 119 | S | 34.9 | Very low | 40.4 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | 58.7 | 75.8 | 171.9 | -157.3 | 0 | 0 | 0 | 0 | 118.1 | S121 | S119-S121 VanDerWaalsContact C-N 3.32Å; S119-S121 PolarHBondContact O-N 3.22Å; S119-S121 VanDerWaalsContact O-N 3.11Å |
| 120 | A | 36.7 | Very low | 41.4 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | trans | -79 | 77.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q122 | A120-Q122 PolarHBondContact O-N 2.84Š|
| 121 | S | 43.7 | Very low | 43.4 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -86.7 | 32 | 179.3 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | S119 Q123 | S119-S121 VanDerWaalsContact C-N 3.32Å; S119-S121 PolarHBondContact O-N 3.22Å; S119-S121 VanDerWaalsContact O-N 3.11Å; S121-Q123 PolarHBondContact O-N 3.06Å |
| 122 | Q | 47.8 | Very low | 45.4 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -64.1 | 122.1 | 166.8 | -73.4 | -161.1 | 8.9 | 0 | 0 | 109.2 | A120 L124 | A120-Q122 PolarHBondContact O-N 2.84Å; Q122-L124 PolarHBondContact O-N 3.41Å; Q122-L124 VanDerWaalsContact O-N 3.13Å |
| 123 | Q | 42.3 | Very low | 47.2 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 66% | 0.659 | 75% | 0.75 | S | S | * | * | | | trans | -55.2 | 118.4 | -169.3 | -66.4 | 171.8 | -23.7 | 0 | 0 | 111.5 | S121 R125 | S121-Q123 PolarHBondContact O-N 3.06Å; Q123-R125 PolarHBondContact O-N 2.86Å; Q123-R125 VanDerWaalsContact OE1-CZ 3.28Å; Q123-R125 VanDerWaalsContact OE1-NE 3.09Å |
| 124 | L | 47.2 | Very low | 49.9 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 91% | 0.906 | 72% | 0.722 | S | S | * | * | | | trans | -68.9 | 76 | 169.7 | -159 | 96.8 | 0 | 0 | 0 | 109.4 | Q122 K126 | Q122-L124 PolarHBondContact O-N 3.41Å; Q122-L124 VanDerWaalsContact O-N 3.13Å; L124-K126 PolarHBondContact O-N 3.17Å; L124-K126 VanDerWaalsContact O-N 3.07Å |
| 125 | R | 46 | Very low | 52.6 | Low | 192 Ų | 192 | 122 Ų | 122 | 73% | 0.725 | 69% | 0.692 | S | S | * | * | | | trans | -52.5 | 118.1 | 176.3 | -67.9 | -68.5 | 175.5 | 135.9 | -4.3 | 107.2 | Q123 S127 | Q123-R125 PolarHBondContact O-N 2.86Å; Q123-R125 VanDerWaalsContact OE1-CZ 3.28Å; Q123-R125 VanDerWaalsContact OE1-NE 3.09Å; R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.26Å |
| 126 | K | 46.8 | Very low | 55.2 | Low | 194 Ų | 194 | 122.4 Ų | 122.4 | 84% | 0.843 | 68% | 0.682 | S | S | * | * | | | trans | -59.1 | 89.8 | -166.5 | -175.5 | 83 | 75.5 | 171.3 | 0 | 110.5 | L124 S128 | L124-K126 PolarHBondContact O-N 3.17Å; L124-K126 VanDerWaalsContact O-N 3.07Å; K126-S128 PolarHBondContact O-N 3.2Å |
| 127 | S | 49.9 | Very low | 57.9 | Low | 107 Ų | 107 | 119.4 Ų | 119.4 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | | | trans | -78.7 | 61.1 | -175.4 | -160.8 | 0 | 0 | 0 | 0 | 111 | R125 A129 | R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.26Å; S127-A129 VanDerWaalsContact C-N 3.28Å |
| 128 | S | 53.6 | Low | 60.9 | Low | 93 Ų | 93 | 115.1 Ų | 115.1 | 65% | 0.65 | 63% | 0.631 | S | S | * | * | | | trans | -94.9 | 17.9 | 174 | -162.4 | 0 | 0 | 0 | 0 | 111.8 | K126 R130 | K126-S128 PolarHBondContact O-N 3.2Å; S128-R130 PolarHBondContact O-N 2.94Å |
| 129 | A | 56.9 | Low | 64.1 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -71.1 | 101.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | S127 R131 | S127-A129 VanDerWaalsContact C-N 3.28Å; A129-R131 PolarHBondContact O-N 3.41Å |
| 130 | R | 56.3 | Low | 67 | Low | 234 Ų | 234 | 109.5 Ų | 109.5 | 88% | 0.883 | 58% | 0.576 | S | S | * | * | | | trans | -56.1 | 114 | -174.9 | -60.1 | -177.5 | -167.9 | -100.7 | 4.9 | 108.8 | S128 | S128-R130 PolarHBondContact O-N 2.94Š|
| 131 | R | 73.6 | Confident | 69.7 | Low | 177 Ų | 177 | 107.3 Ų | 107.3 | 67% | 0.668 | 55% | 0.55 | S | S | * | . | | | trans | -60.7 | 142.3 | 170.8 | -63.6 | 177.2 | 72.3 | 133.9 | 1 | 107.7 | A129 N136 | A129-R131 PolarHBondContact O-N 3.41Å; R131-N136 PolarHBondContact NH2-OD1 2.88Å; R131-N136 VanDerWaalsContact NH2-OD1 3.08Å |
| 132 | N | 82.8 | Confident | 72.2 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 35% | 0.348 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 156.9 | 176.2 | -60.9 | -36.4 | 0 | 0 | 0 | 109.3 | W134 G135 Y137 | N132-W134 HydrophobicContact CB-CD2 3.59Å; N132-W134 HydrophobicContact CB-CE3 3.97Å; N132-W134 HydrophobicContact CB-CG 4.1Å; N132-W134 HydrophobicContact CB-CH2 3.92Å; N132-W134 HydrophobicContact CB-CZ2 3.54Å; N132-W134 HydrophobicContact CB-CZ3 4.12Å; N132-W134 VanDerWaalsContact CG-CZ2 3.46Å; N132-W134 WeakPolarHBondContact ND2-CZ2 3.39Å; N132-W134 PolarHBondContact O-N 3.49Å; N132-G135 WeakPolarHBondContact CB-O 3.28Å; N132-G135 PolarHBondContact N-O 3.25Å; N132-G135 PolarHBondContact O-N 2.65Å; N132-Y137 PolarHBondContact ND2-O 3.06Å |
| 133 | A | 81.6 | Confident | 74.5 | Confident | 69 Ų | 69 | 93.9 Ų | 93.9 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y170 | A133-Y170 HydrophobicContact CB-CD1 4.22Å; A133-Y170 HydrophobicContact CB-CD2 3.37Å; A133-Y170 HydrophobicContact CB-CE1 4.19Å; A133-Y170 HydrophobicContact CB-CE2 3.33Å; A133-Y170 HydrophobicContact CB-CG 3.83Å |
| 134 | W | 85.8 | Confident | 77.1 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 17% | 0.17 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 14.6 | 171.6 | 59.7 | 87 | 0 | 0 | 0 | 114.2 | N132 Y137 Y139 L142 V168 Y170 F171 | N132-W134 HydrophobicContact CB-CD2 3.59Å; N132-W134 HydrophobicContact CB-CE3 3.97Å; N132-W134 HydrophobicContact CB-CG 4.1Å; N132-W134 HydrophobicContact CB-CH2 3.92Å; N132-W134 HydrophobicContact CB-CZ2 3.54Å; N132-W134 HydrophobicContact CB-CZ3 4.12Å; N132-W134 VanDerWaalsContact CG-CZ2 3.46Å; N132-W134 WeakPolarHBondContact ND2-CZ2 3.39Å; N132-W134 PolarHBondContact O-N 3.49Å; W134-Y137 PolarHBondContact NE1-O 3.28Å; W134-Y139 AromaticContact CH2-CE1 3.92Å; W134-Y139 HydrophobicContact CH2-CE1 3.92Å; W134-Y139 AromaticContact CH2-CE2 3.82Å; W134-Y139 HydrophobicContact CH2-CE2 3.82Å; W134-Y139 AromaticContact CH2-CZ 3.4Å; W134-Y139 VanDerWaalsContact CH2-OH 3.29Å; W134-Y139 WeakPolarHBondContact CH2-OH 3.17Å; W134-Y139 HydrophobicContact CZ2-CD1 4.26Å; W134-Y139 HydrophobicContact CZ2-CD2 4.31Å; W134-Y139 AromaticContact CZ2-CE1 3.83Å; W134-Y139 HydrophobicContact CZ2-CE1 3.83Å; W134-Y139 AromaticContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CG 4.5Å; W134-Y139 AromaticContact CZ2-CZ 3.65Å; W134-L142 HydrophobicContact CG-CD1 4.26Å; W134-V168 HydrophobicContact CB-CG1 3.34Å; W134-V168 HydrophobicContact CG-CG1 4.14Å; W134-Y170 AromaticContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CE1 4.02Å; W134-Y170 HydrophobicContact CE3-CG 4.39Å; W134-Y170 HydrophobicContact CZ3-CD1 4.17Å; W134-Y170 HydrophobicContact CZ3-CE1 4.06Å; W134-F171 HydrophobicContact CD2-CE2 4.04Å; W134-F171 HydrophobicContact CD2-CZ 4.28Å; W134-F171 AromaticContact CE3-CE2 3.86Å; W134-F171 HydrophobicContact CE3-CE2 3.86Å; W134-F171 AromaticContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CH2-CZ 4.26Å; W134-F171 HydrophobicContact CZ3-CE2 4.29Å; W134-F171 AromaticContact CZ3-CZ 3.69Å; W134-F171 HydrophobicContact CZ3-CZ 3.69Å |
| 135 | G | 89.6 | Confident | 79.4 | Confident | 22 Ų | 22 | 83 Ų | 83 | 23% | 0.227 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | 101.6 | -140.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N132 | N132-G135 WeakPolarHBondContact CB-O 3.28Å; N132-G135 PolarHBondContact N-O 3.25Å; N132-G135 PolarHBondContact O-N 2.65Å |
| 136 | N | 90.5 | Very high | 81.8 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -102.7 | 5.9 | -172.1 | 57.4 | -90.9 | 0 | 0 | 0 | 114.5 | R131 | R131-N136 PolarHBondContact NH2-OD1 2.88Å; R131-N136 VanDerWaalsContact NH2-OD1 3.08Å |
| 137 | Y | 91.3 | Very high | 84.1 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | | | trans | -82.6 | 135.1 | 174.9 | -65.6 | -62.8 | 0 | 0 | 0 | 111 | N132 W134 D141 L142 | N132-Y137 PolarHBondContact ND2-O 3.06Å; W134-Y137 PolarHBondContact NE1-O 3.28Å; Y137-D141 HydrophobicContact CD1-CB 3.98Å; Y137-L142 HydrophobicContact CD2-CD2 4.37Å; Y137-L142 HydrophobicContact CG-CD2 4.34Å |
| 138 | S | 94.1 | Very high | 86.3 | Confident | 51 Ų | 51 | 63 Ų | 63 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | | | trans | -71.8 | 161.3 | 165.8 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | A140 D141 L142 | S138-A140 PolarHBondContact O-N 3.3Å; S138-D141 WeakPolarHBondContact CB-OD2 3.5Å; S138-D141 PolarHBondContact N-OD2 2.97Å; S138-D141 PolarHBondContact O-N 3.37Å; S138-L142 PolarHBondContact O-N 3.26Å |
| 139 | Y | 95.1 | Very high | 88.3 | Confident | 42 Ų | 42 | 62 Ų | 62 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.5 | -38 | 168 | -75.4 | -62.6 | 0 | 0 | 0 | 111.4 | W134 D141 L142 I143 F171 S186 I187 | W134-Y139 AromaticContact CH2-CE1 3.92Å; W134-Y139 HydrophobicContact CH2-CE1 3.92Å; W134-Y139 AromaticContact CH2-CE2 3.82Å; W134-Y139 HydrophobicContact CH2-CE2 3.82Å; W134-Y139 AromaticContact CH2-CZ 3.4Å; W134-Y139 VanDerWaalsContact CH2-OH 3.29Å; W134-Y139 WeakPolarHBondContact CH2-OH 3.17Å; W134-Y139 HydrophobicContact CZ2-CD1 4.26Å; W134-Y139 HydrophobicContact CZ2-CD2 4.31Å; W134-Y139 AromaticContact CZ2-CE1 3.83Å; W134-Y139 HydrophobicContact CZ2-CE1 3.83Å; W134-Y139 AromaticContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CG 4.5Å; W134-Y139 AromaticContact CZ2-CZ 3.65Å; Y139-D141 VanDerWaalsContact C-N 3.3Å; Y139-D141 PolarHBondContact O-N 3.33Å; Y139-L142 PolarHBondContact O-N 3.27Å; Y139-I143 WeakPolarHBondContact O-CB 3.35Å; Y139-I143 WeakPolarHBondContact O-CD1 3.29Å; Y139-I143 WeakPolarHBondContact O-CG1 3.45Å; Y139-I143 PolarHBondContact O-N 3.4Å; Y139-F171 HydrophobicContact CE1-CE2 4.35Å; Y139-F171 AromaticContact CE1-CZ 3.91Å; Y139-F171 HydrophobicContact CE1-CZ 3.91Å; Y139-S186 WeakPolarHBondContact CE2-OG 3.41Å; Y139-S186 PolarHBondContact OH-OG 3.25Å; Y139-I187 HydrophobicContact CD1-CD1 3.57Å; Y139-I187 HydrophobicContact CE1-CD1 4.17Å; Y139-I187 HydrophobicContact CG-CD1 4.3Å |
| 140 | A | 94.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | S138 T144 N190 F197 | S138-A140 PolarHBondContact O-N 3.3Å; A140-T144 WeakPolarHBondContact O-CB 3.46Å; A140-T144 PolarHBondContact O-N 3.41Å; A140-T144 PolarHBondContact O-OG1 3.37Å; A140-N190 PolarHBondContact N-OD1 3.35Å; A140-F197 HydrophobicContact CB-CE2 4.34Å; A140-F197 HydrophobicContact CB-CZ 4.39Å; A140-F197 WeakPolarHBondContact O-CZ 3.4Å |
| 141 | D | 95.1 | Very high | 91.8 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.4 | -43.2 | 178.7 | -53.8 | -47.9 | 0 | 0 | 0 | 110.6 | Y137 S138 Y139 T144 Q145 | Y137-D141 HydrophobicContact CD1-CB 3.98Å; S138-D141 WeakPolarHBondContact CB-OD2 3.5Å; S138-D141 PolarHBondContact N-OD2 2.97Å; S138-D141 PolarHBondContact O-N 3.37Å; Y139-D141 VanDerWaalsContact C-N 3.3Å; Y139-D141 PolarHBondContact O-N 3.33Å; D141-T144 WeakPolarHBondContact O-CB 3.46Å; D141-T144 PolarHBondContact O-N 2.78Å; D141-Q145 WeakPolarHBondContact O-CG 3.41Å; D141-Q145 PolarHBondContact O-N 3.21Å |
| 142 | L | 95.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.2 | -66 | 179.2 | 0 | 0 | 0 | 112.3 | W134 Y137 S138 Y139 T144 Q145 A146 W163 M164 V168 | W134-L142 HydrophobicContact CG-CD1 4.26Å; Y137-L142 HydrophobicContact CD2-CD2 4.37Å; Y137-L142 HydrophobicContact CG-CD2 4.34Å; S138-L142 PolarHBondContact O-N 3.26Å; Y139-L142 PolarHBondContact O-N 3.27Å; L142-T144 VanDerWaalsContact C-N 3.33Å; L142-Q145 PolarHBondContact O-N 3.5Å; L142-A146 WeakPolarHBondContact O-CB 3.19Å; L142-A146 PolarHBondContact O-N 2.87Å; L142-W163 HydrophobicContact CB-CZ3 4.27Å; L142-W163 HydrophobicContact CD2-CZ3 4.41Å; L142-W163 WeakPolarHBondContact O-CZ3 3.42Å; L142-M164 HydrophobicContact CB-CE 3.53Å; L142-M164 HydrophobicContact CB-SD 3.79Å; L142-M164 HydrophobicContact CD1-SD 3.95Å; L142-V168 HydrophobicContact CD1-CG2 4.12Å; L142-V168 HydrophobicContact CD2-CG2 3.83Å |
| 143 | I | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 174.7 | -66.4 | 161.1 | 0 | 0 | 0 | 110.5 | Y139 A146 I147 I160 M164 I187 N190 L191 F197 | Y139-I143 WeakPolarHBondContact O-CB 3.35Å; Y139-I143 WeakPolarHBondContact O-CD1 3.29Å; Y139-I143 WeakPolarHBondContact O-CG1 3.45Å; Y139-I143 PolarHBondContact O-N 3.4Å; I143-A146 PolarHBondContact O-N 3Å; I143-I147 HydrophobicContact CG2-CD1 3.9Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 2.92Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I143-I160 HydrophobicContact CG1-CG2 4.23Å; I143-M164 HydrophobicContact CB-CE 4.48Å; I143-M164 HydrophobicContact CG1-CE 3.74Å; I143-I187 HydrophobicContact CD1-CD1 3.94Å; I143-I187 HydrophobicContact CD1-CG2 4.2Å; I143-I187 HydrophobicContact CG1-CD1 3.93Å; I143-I187 HydrophobicContact CG1-CG2 4.43Å; I143-N190 HydrophobicContact CD1-CB 3.62Å; I143-L191 HydrophobicContact CD1-CD2 4.49Å; I143-L191 HydrophobicContact CD1-CG 4.27Å; I143-L191 HydrophobicContact CG2-CD2 3.61Å; I143-L191 HydrophobicContact CG2-CG 4.48Å; I143-F197 HydrophobicContact CB-CE1 4.1Å; I143-F197 HydrophobicContact CB-CE2 4.48Å; I143-F197 HydrophobicContact CB-CZ 3.83Å; I143-F197 HydrophobicContact CG2-CD1 3.9Å; I143-F197 HydrophobicContact CG2-CE1 3.45Å; I143-F197 VanDerWaalsContact CG2-CE1 3.45Å; I143-F197 HydrophobicContact CG2-CE2 4.18Å; I143-F197 HydrophobicContact CG2-CG 4.45Å; I143-F197 HydrophobicContact CG2-CZ 3.6Å |
| 144 | T | 96 | Very high | 93.8 | Very high | 15 Ų | 15 | 53 Ų | 53 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | A140 D141 L142 A146 I147 E148 R196 V213 | A140-T144 WeakPolarHBondContact O-CB 3.46Å; A140-T144 PolarHBondContact O-N 3.41Å; A140-T144 PolarHBondContact O-OG1 3.37Å; D141-T144 WeakPolarHBondContact O-CB 3.46Å; D141-T144 PolarHBondContact O-N 2.78Å; L142-T144 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 2.98Å; T144-I147 PolarHBondContact O-N 3.22Å; T144-E148 HydrophobicContact CG2-CG 4.45Å; T144-E148 WeakPolarHBondContact O-CB 3.42Å; T144-E148 WeakPolarHBondContact O-CG 3.1Å; T144-E148 PolarHBondContact O-N 3.32Å; T144-R196 WeakPolarHBondContact OG1-CD 3.32Å; T144-R196 PolarHBondContact OG1-NH1 3.22Å; T144-V213 HydrophobicContact CG2-CG1 4.49Å; T144-V213 HydrophobicContact CG2-CG2 4.1Å |
| 145 | Q | 95.5 | Very high | 94.3 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.6 | -70.9 | 172.9 | 11.6 | 0 | 0 | 112.8 | D141 L142 E148 S149 W163 | D141-Q145 WeakPolarHBondContact O-CG 3.41Å; D141-Q145 PolarHBondContact O-N 3.21Å; L142-Q145 PolarHBondContact O-N 3.5Å; Q145-E148 PolarHBondContact O-N 2.81Å; Q145-S149 VanDerWaalsContact O-CB 3.3Å; Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 3.34Å; Q145-W163 HydrophobicContact CB-CH2 3.73Å; Q145-W163 HydrophobicContact CB-CZ2 3.95Å |
| 146 | A | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -54.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L142 I143 T144 S149 S150 L155 W163 | L142-A146 WeakPolarHBondContact O-CB 3.19Å; L142-A146 PolarHBondContact O-N 2.87Å; I143-A146 PolarHBondContact O-N 3Å; T144-A146 PolarHBondContact O-N 2.98Å; A146-S149 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-OG 3.06Å; A146-S150 PolarHBondContact O-N 2.87Å; A146-L155 HydrophobicContact CB-CD1 4Å; A146-L155 WeakPolarHBondContact O-CD1 3.49Å; A146-W163 VanDerWaalsContact CA-CE2 3.47Å; A146-W163 HydrophobicContact CB-CB 4.16Å; A146-W163 HydrophobicContact CB-CD2 3.45Å; A146-W163 VanDerWaalsContact CB-CD2 3.45Å; A146-W163 HydrophobicContact CB-CE3 3.59Å; A146-W163 HydrophobicContact CB-CG 3.69Å; A146-W163 HydrophobicContact CB-CZ2 4.46Å; A146-W163 HydrophobicContact CB-CZ3 4.17Å |
| 147 | I | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | -178.9 | -63 | 168.5 | 0 | 0 | 0 | 111.1 | I143 T144 S149 S150 K153 L155 I160 F197 W211 V213 | I143-I147 HydrophobicContact CG2-CD1 3.9Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 2.92Å; I143-I147 VanDerWaalsContact O-N 3.07Å; T144-I147 PolarHBondContact O-N 3.22Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.4Å; I147-S150 PolarHBondContact O-N 3.29Å; I147-K153 WeakPolarHBondContact CG2-O 3.38Å; I147-L155 HydrophobicContact CG1-CB 4.35Å; I147-L155 HydrophobicContact CG1-CD1 4.46Å; I147-I160 HydrophobicContact CD1-CD1 4.37Å; I147-I160 HydrophobicContact CG1-CD1 4.42Å; I147-F197 HydrophobicContact CD1-CD1 4.13Å; I147-F197 HydrophobicContact CD1-CE1 4.45Å; I147-W211 HydrophobicContact CD1-CB 4.21Å; I147-V213 HydrophobicContact CB-CG2 3.89Å; I147-V213 HydrophobicContact CD1-CG2 4.08Å; I147-V213 HydrophobicContact CG2-CB 4.37Å; I147-V213 HydrophobicContact CG2-CG2 3.88Å |
| 148 | E | 95.5 | Very high | 95.1 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.3 | -22.1 | 174.9 | -74.7 | -160.5 | 122.4 | 0 | 0 | 113.6 | T144 Q145 S150 K153 K219 | T144-E148 HydrophobicContact CG2-CG 4.45Å; T144-E148 WeakPolarHBondContact O-CB 3.42Å; T144-E148 WeakPolarHBondContact O-CG 3.1Å; T144-E148 PolarHBondContact O-N 3.32Å; Q145-E148 PolarHBondContact O-N 2.81Å; E148-S150 VanDerWaalsContact C-N 3.35Å; E148-K153 PolarHBondContact O-NZ 2.82Å; E148-K219 VanDerWaalsContact OE1-CE 3.28Å; E148-K219 WeakPolarHBondContact OE1-CE 3.42Å; E148-K219 IonicContact OE1-NZ 2.77Å; E148-K219 PolarHBondContact OE1-NZ 3.09Å |
| 149 | S | 95.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -75.6 | -21.3 | 173.6 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | Q145 A146 I147 W163 | Q145-S149 VanDerWaalsContact O-CB 3.3Å; Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-OG 3.06Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.4Å; S149-W163 PolarHBondContact OG-NE1 3.4Å |
| 150 | S | 94.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -74.7 | 144.1 | 176.3 | 104.4 | 0 | 0 | 0 | 0 | 110.7 | A146 I147 E148 E152 K153 R154 | A146-S150 PolarHBondContact O-N 2.87Å; I147-S150 PolarHBondContact O-N 3.29Å; E148-S150 VanDerWaalsContact C-N 3.35Å; S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 PolarHBondContact O-N 3.09Å; S150-K153 WeakPolarHBondContact O-CD 3.39Å; S150-K153 PolarHBondContact O-N 2.68Å; S150-K153 PolarHBondContact O-NZ 3.46Å; S150-K153 PolarHBondContact OG-N 3.31Å; S150-K153 VanDerWaalsContact OG-N 3.14Å; S150-R154 PolarHBondContact OG-N 3.04Å; S150-R154 PolarHBondContact OG-O 3.4Å |
| 151 | P | 93 | Very high | 95.2 | Very high | 124 Ų | 124 | 46.5 Ų | 46.5 | 81% | 0.805 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -34.4 | 179.2 | 25.1 | -32.5 | 0 | 0 | 0 | 111.5 | K153 | P151-K153 VanDerWaalsContact C-N 3.34Å; P151-K153 PolarHBondContact O-N 3.38Å |
| 152 | E | 91.4 | Very high | 95.2 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.7 | -178.3 | -55.4 | -170.8 | 138 | 0 | 0 | 114.1 | S150 R154 | S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 PolarHBondContact O-N 3.09Å; E152-R154 HydrophobicContact CB-CG 3.74Å; E152-R154 PolarHBondContact O-N 3.35Å; E152-R154 VanDerWaalsContact O-N 3.07Å; E152-R154 IonicContact OE1-CZ 3.85Å; E152-R154 IonicContact OE1-NE 3.98Å; E152-R154 IonicContact OE1-NH2 3.72Å; E152-R154 PolarHBondContact OE1-NH2 2.77Å; E152-R154 IonicContact OE2-CZ 3.29Å; E152-R154 VanDerWaalsContact OE2-CZ 3.29Å; E152-R154 IonicContact OE2-NE 2.72Å; E152-R154 PolarHBondContact OE2-NE 3.02Å; E152-R154 IonicContact OE2-NH2 3.63Å; E152-R154 PolarHBondContact OE2-NH2 3Å |
| 153 | K | 94.8 | Very high | 95.2 | Very high | 111 Ų | 111 | 47.7 Ų | 47.7 | 48% | 0.483 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 52.5 | 27.1 | -174.9 | -50.4 | -58.3 | 169 | -147.2 | 0 | 114.6 | I147 E148 S150 P151 | I147-K153 WeakPolarHBondContact CG2-O 3.38Å; E148-K153 PolarHBondContact O-NZ 2.82Å; S150-K153 WeakPolarHBondContact O-CD 3.39Å; S150-K153 PolarHBondContact O-N 2.68Å; S150-K153 PolarHBondContact O-NZ 3.46Å; S150-K153 PolarHBondContact OG-N 3.31Å; S150-K153 VanDerWaalsContact OG-N 3.14Å; P151-K153 VanDerWaalsContact C-N 3.34Å; P151-K153 PolarHBondContact O-N 3.38Å |
| 154 | R | 94.6 | Very high | 95.1 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 31% | 0.306 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.5 | 174 | 66.6 | -174.3 | 177.2 | -170 | -6.1 | 110 | S150 E152 W210 W211 I212 | S150-R154 PolarHBondContact OG-N 3.04Å; S150-R154 PolarHBondContact OG-O 3.4Å; E152-R154 HydrophobicContact CB-CG 3.74Å; E152-R154 PolarHBondContact O-N 3.35Å; E152-R154 VanDerWaalsContact O-N 3.07Å; E152-R154 IonicContact OE1-CZ 3.85Å; E152-R154 IonicContact OE1-NE 3.98Å; E152-R154 IonicContact OE1-NH2 3.72Å; E152-R154 PolarHBondContact OE1-NH2 2.77Å; E152-R154 IonicContact OE2-CZ 3.29Å; E152-R154 VanDerWaalsContact OE2-CZ 3.29Å; E152-R154 IonicContact OE2-NE 2.72Å; E152-R154 PolarHBondContact OE2-NE 3.02Å; E152-R154 IonicContact OE2-NH2 3.63Å; E152-R154 PolarHBondContact OE2-NH2 3Å; R154-W210 HydrophobicContact CB-CB 4.39Å; R154-W210 HydrophobicContact CB-CD2 4.48Å; R154-W210 HydrophobicContact CB-CE3 4.11Å; R154-W210 HydrophobicContact CG-CD2 4.08Å; R154-W210 HydrophobicContact CG-CE3 3.73Å; R154-W210 HydrophobicContact CG-CZ3 4.12Å; R154-W211 WeakPolarHBondContact CA-O 3.45Å; R154-I212 HydrophobicContact CB-CG2 3.63Å |
| 155 | L | 96.4 | Very high | 95 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 145.9 | 170.4 | -72 | -178.3 | 0 | 0 | 0 | 110.5 | A146 I147 Q159 I160 W211 | A146-L155 HydrophobicContact CB-CD1 4Å; A146-L155 WeakPolarHBondContact O-CD1 3.49Å; I147-L155 HydrophobicContact CG1-CB 4.35Å; I147-L155 HydrophobicContact CG1-CD1 4.46Å; L155-Q159 HydrophobicContact CB-CB 4.28Å; L155-Q159 HydrophobicContact CD2-CB 3.94Å; L155-I160 HydrophobicContact CB-CD1 4.35Å; L155-I160 HydrophobicContact CB-CG1 3.81Å; L155-I160 HydrophobicContact CD1-CG1 4.04Å; L155-W211 PolarHBondContact N-O 2.97Å; L155-W211 PolarHBondContact O-N 3.08Å |
| 156 | T | 96.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 161.6 | 166.5 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | S158 Q159 I160 W210 | T156-S158 PolarHBondContact O-N 2.96Å; T156-Q159 PolarHBondContact O-N 3.3Å; T156-Q159 VanDerWaalsContact O-N 3.15Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.41Å; T156-Q159 PolarHBondContact OG1-OE1 3.13Å; T156-I160 PolarHBondContact O-N 2.95Å; T156-I160 VanDerWaalsContact O-N 3.16Å; T156-W210 HydrophobicContact CG2-CD2 4.17Å; T156-W210 HydrophobicContact CG2-CE3 3.73Å; T156-W210 HydrophobicContact CG2-CH2 4.21Å; T156-W210 HydrophobicContact CG2-CZ3 3.76Å |
| 157 | L | 95.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.1 | -37.4 | 178.8 | 179.1 | 60.9 | 0 | 0 | 0 | 113.3 | I160 Y161 I187 R188 L191 | L157-I160 PolarHBondContact O-N 3.18Å; L157-Y161 HydrophobicContact CD1-CE1 3.82Å; L157-Y161 HydrophobicContact CG-CE1 4.24Å; L157-Y161 HydrophobicContact CG-CE2 4.03Å; L157-Y161 PolarHBondContact O-N 3.33Å; L157-I187 HydrophobicContact CD1-CG2 4.3Å; L157-R188 HydrophobicContact CD1-CG 4Å; L157-R188 HydrophobicContact CD2-CG 3.98Å; L157-L191 HydrophobicContact CD1-CD1 3.62Å |
| 158 | S | 94.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 176.9 | -159.4 | 0 | 0 | 0 | 0 | 111.2 | T156 I160 Y161 D162 | T156-S158 PolarHBondContact O-N 2.96Å; S158-I160 PolarHBondContact O-N 3.32Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-Y161 WeakPolarHBondContact O-CA 3.35Å; S158-Y161 WeakPolarHBondContact O-CB 3.34Å; S158-Y161 PolarHBondContact O-N 2.78Å; S158-D162 PolarHBondContact O-N 3.38Å; S158-D162 VanDerWaalsContact O-OD1 3.08Å |
| 159 | Q | 95.8 | Very high | 94 | Very high | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -26.9 | -179.4 | -65.8 | 164.5 | -53.4 | 0 | 0 | 112.8 | L155 T156 D162 W163 | L155-Q159 HydrophobicContact CB-CB 4.28Å; L155-Q159 HydrophobicContact CD2-CB 3.94Å; T156-Q159 PolarHBondContact O-N 3.3Å; T156-Q159 VanDerWaalsContact O-N 3.15Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.41Å; T156-Q159 PolarHBondContact OG1-OE1 3.13Å; Q159-D162 WeakPolarHBondContact CA-OD2 3.41Å; Q159-W163 VanDerWaalsContact O-CB 3.27Å; Q159-W163 WeakPolarHBondContact O-CB 3.39Å; Q159-W163 PolarHBondContact O-N 2.97Å |
| 160 | I | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -42.1 | 171.4 | -63.1 | 169 | 0 | 0 | 0 | 110.8 | I143 I147 L155 T156 L157 S158 W163 M164 I187 L191 W211 | I143-I160 HydrophobicContact CG1-CG2 4.23Å; I147-I160 HydrophobicContact CD1-CD1 4.37Å; I147-I160 HydrophobicContact CG1-CD1 4.42Å; L155-I160 HydrophobicContact CB-CD1 4.35Å; L155-I160 HydrophobicContact CB-CG1 3.81Å; L155-I160 HydrophobicContact CD1-CG1 4.04Å; T156-I160 PolarHBondContact O-N 2.95Å; T156-I160 VanDerWaalsContact O-N 3.16Å; L157-I160 PolarHBondContact O-N 3.18Å; S158-I160 PolarHBondContact O-N 3.32Å; S158-I160 VanDerWaalsContact O-N 3.12Å; I160-W163 PolarHBondContact O-N 2.86Å; I160-M164 HydrophobicContact CG2-CE 4.09Å; I160-M164 WeakPolarHBondContact O-CG 3.38Å; I160-M164 PolarHBondContact O-N 3.07Å; I160-M164 VanDerWaalsContact O-N 3.08Å; I160-I187 HydrophobicContact CG2-CG2 3.81Å; I160-L191 HydrophobicContact CD1-CD1 4.15Å; I160-L191 HydrophobicContact CD1-CD2 4.19Å; I160-W211 HydrophobicContact CD1-CB 4.13Å; I160-W211 HydrophobicContact CD1-CG 4.42Å |
| 161 | Y | 94.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 59 Ų | 59 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 172.2 | -54.6 | -37.5 | 0 | 0 | 0 | 110.9 | L157 S158 W163 M164 V165 W183 K184 I187 R188 | L157-Y161 HydrophobicContact CD1-CE1 3.82Å; L157-Y161 HydrophobicContact CG-CE1 4.24Å; L157-Y161 HydrophobicContact CG-CE2 4.03Å; L157-Y161 PolarHBondContact O-N 3.33Å; S158-Y161 WeakPolarHBondContact O-CA 3.35Å; S158-Y161 WeakPolarHBondContact O-CB 3.34Å; S158-Y161 PolarHBondContact O-N 2.78Å; Y161-W163 VanDerWaalsContact C-N 3.26Å; Y161-W163 PolarHBondContact O-N 2.92Å; Y161-M164 WeakPolarHBondContact O-CB 3.47Å; Y161-M164 PolarHBondContact O-N 3.33Å; Y161-M164 VanDerWaalsContact O-N 3.09Å; Y161-V165 WeakPolarHBondContact O-CG2 3.19Å; Y161-V165 PolarHBondContact O-N 3.07Å; Y161-V165 VanDerWaalsContact O-N 3.15Å; Y161-W183 HydrophobicContact CD1-CZ3 4.14Å; Y161-K184 HydrophobicContact CD1-CB 4.08Å; Y161-K184 HydrophobicContact CD1-CD 4.36Å; Y161-K184 HydrophobicContact CD1-CG 3.79Å; Y161-K184 HydrophobicContact CD2-CD 4.21Å; Y161-K184 HydrophobicContact CE1-CB 3.66Å; Y161-K184 HydrophobicContact CE1-CG 3.9Å; Y161-K184 HydrophobicContact CE2-CD 4.41Å; Y161-K184 HydrophobicContact CG-CD 4.18Å; Y161-K184 HydrophobicContact CG-CG 4.1Å; Y161-I187 HydrophobicContact CD1-CG2 4.33Å; Y161-I187 HydrophobicContact CE1-CB 4.24Å; Y161-I187 HydrophobicContact CE1-CG2 4.13Å; Y161-R188 PolarHBondContact OH-NH1 2.76Å |
| 162 | D | 94.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -35.6 | -178.2 | -45.5 | -24.4 | 0 | 0 | 0 | 111.7 | S158 Q159 R166 | S158-D162 PolarHBondContact O-N 3.38Å; S158-D162 VanDerWaalsContact O-OD1 3.08Å; Q159-D162 WeakPolarHBondContact CA-OD2 3.41Å; D162-R166 WeakPolarHBondContact O-CB 3.15Å; D162-R166 WeakPolarHBondContact O-CG 3.35Å; D162-R166 PolarHBondContact O-N 3.2Å; D162-R166 PolarHBondContact O-NE 3.2Å; D162-R166 IonicContact OD2-NH2 3.01Å |
| 163 | W | 95.5 | Very high | 92.4 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 174.6 | -174.1 | 98.9 | 0 | 0 | 0 | 111.9 | L142 Q145 A146 S149 Q159 I160 Y161 V165 R166 S167 V168 | L142-W163 HydrophobicContact CB-CZ3 4.27Å; L142-W163 HydrophobicContact CD2-CZ3 4.41Å; L142-W163 WeakPolarHBondContact O-CZ3 3.42Å; Q145-W163 HydrophobicContact CB-CH2 3.73Å; Q145-W163 HydrophobicContact CB-CZ2 3.95Å; A146-W163 VanDerWaalsContact CA-CE2 3.47Å; A146-W163 HydrophobicContact CB-CB 4.16Å; A146-W163 HydrophobicContact CB-CD2 3.45Å; A146-W163 VanDerWaalsContact CB-CD2 3.45Å; A146-W163 HydrophobicContact CB-CE3 3.59Å; A146-W163 HydrophobicContact CB-CG 3.69Å; A146-W163 HydrophobicContact CB-CZ2 4.46Å; A146-W163 HydrophobicContact CB-CZ3 4.17Å; S149-W163 PolarHBondContact OG-NE1 3.4Å; Q159-W163 VanDerWaalsContact O-CB 3.27Å; Q159-W163 WeakPolarHBondContact O-CB 3.39Å; Q159-W163 PolarHBondContact O-N 2.97Å; I160-W163 PolarHBondContact O-N 2.86Å; Y161-W163 VanDerWaalsContact C-N 3.26Å; Y161-W163 PolarHBondContact O-N 2.92Å; W163-V165 VanDerWaalsContact C-N 3.31Å; W163-V165 PolarHBondContact O-N 3.47Å; W163-R166 PolarHBondContact O-N 3.42Å; W163-R166 VanDerWaalsContact O-N 3.16Å; W163-S167 VanDerWaalsContact CE2-OG 3.31Å; W163-S167 PolarHBondContact NE1-OG 2.84Å; W163-S167 WeakPolarHBondContact O-CB 3.4Å; W163-S167 PolarHBondContact O-N 2.93Å; W163-V168 HydrophobicContact CZ3-CG2 4.35Å |
| 164 | M | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 177.4 | -64.6 | -81.4 | 161.6 | 0 | 0 | 110.8 | L142 I143 I160 Y161 V168 F171 W183 I187 | L142-M164 HydrophobicContact CB-CE 3.53Å; L142-M164 HydrophobicContact CB-SD 3.79Å; L142-M164 HydrophobicContact CD1-SD 3.95Å; I143-M164 HydrophobicContact CB-CE 4.48Å; I143-M164 HydrophobicContact CG1-CE 3.74Å; I160-M164 HydrophobicContact CG2-CE 4.09Å; I160-M164 WeakPolarHBondContact O-CG 3.38Å; I160-M164 PolarHBondContact O-N 3.07Å; I160-M164 VanDerWaalsContact O-N 3.08Å; Y161-M164 WeakPolarHBondContact O-CB 3.47Å; Y161-M164 PolarHBondContact O-N 3.33Å; Y161-M164 VanDerWaalsContact O-N 3.09Å; M164-V168 WeakPolarHBondContact O-CB 3.41Å; M164-V168 PolarHBondContact O-N 3.17Å; M164-F171 HydrophobicContact CB-CD2 4.35Å; M164-W183 HydrophobicContact CB-CH2 4.05Å; M164-W183 HydrophobicContact CB-CZ3 3.79Å; M164-W183 HydrophobicContact CG-CZ3 4.1Å; M164-I187 HydrophobicContact CE-CD1 3.68Å; M164-I187 HydrophobicContact CG-CD1 4.31Å; M164-I187 HydrophobicContact SD-CD1 3.99Å |
| 165 | V | 93.6 | Very high | 90.6 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | Y161 W163 K172 G175 W183 | Y161-V165 WeakPolarHBondContact O-CG2 3.19Å; Y161-V165 PolarHBondContact O-N 3.07Å; Y161-V165 VanDerWaalsContact O-N 3.15Å; W163-V165 VanDerWaalsContact C-N 3.31Å; W163-V165 PolarHBondContact O-N 3.47Å; V165-K172 WeakPolarHBondContact O-CG 3.49Å; V165-G175 VanDerWaalsContact CG2-CA 3.49Å; V165-W183 HydrophobicContact CG2-CH2 3.97Å; V165-W183 HydrophobicContact CG2-CZ2 3.91Å |
| 166 | R | 92.3 | Very high | 89.4 | Confident | 173 Ų | 173 | 64.2 Ų | 64.2 | 65% | 0.653 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -75.4 | -37.2 | -177.4 | -77.1 | 179.5 | -87.7 | 145.4 | -18.2 | 114.6 | D162 W163 | D162-R166 WeakPolarHBondContact O-CB 3.15Å; D162-R166 WeakPolarHBondContact O-CG 3.35Å; D162-R166 PolarHBondContact O-N 3.2Å; D162-R166 PolarHBondContact O-NE 3.2Å; D162-R166 IonicContact OD2-NH2 3.01Å; W163-R166 PolarHBondContact O-N 3.42Å; W163-R166 VanDerWaalsContact O-N 3.16Å |
| 167 | S | 90.9 | Very high | 88.4 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -102.4 | -18.2 | -170.2 | -65.8 | 0 | 0 | 0 | 0 | 114.5 | W163 | W163-S167 VanDerWaalsContact CE2-OG 3.31Å; W163-S167 PolarHBondContact NE1-OG 2.84Å; W163-S167 WeakPolarHBondContact O-CB 3.4Å; W163-S167 PolarHBondContact O-N 2.93Å |
| 168 | V | 90.6 | Very high | 87 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | | | trans | -117.5 | 109.8 | -178.4 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | W134 L142 W163 M164 Y170 F171 | W134-V168 HydrophobicContact CB-CG1 3.34Å; W134-V168 HydrophobicContact CG-CG1 4.14Å; L142-V168 HydrophobicContact CD1-CG2 4.12Å; L142-V168 HydrophobicContact CD2-CG2 3.83Å; W163-V168 HydrophobicContact CZ3-CG2 4.35Å; M164-V168 WeakPolarHBondContact O-CB 3.41Å; M164-V168 PolarHBondContact O-N 3.17Å; V168-Y170 PolarHBondContact O-N 3.21Å; V168-F171 HydrophobicContact CB-CD2 3.91Å; V168-F171 HydrophobicContact CG1-CD2 3.65Å; V168-F171 HydrophobicContact CG1-CE2 4.1Å; V168-F171 PolarHBondContact O-N 3.13Å |
| 169 | P | 88.9 | Confident | 85.5 | Confident | 100 Ų | 100 | 73.2 Ų | 73.2 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -51.7 | -36.5 | -174 | -31.4 | 36.5 | 0 | 0 | 0 | 115 | F171 K172 | P169-F171 PolarHBondContact O-N 2.73Å; P169-K172 WeakPolarHBondContact O-CB 3.4Å; P169-K172 PolarHBondContact O-N 3.24Å |
| 170 | Y | 86.8 | Confident | 84.2 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.9 | -25.4 | 178.3 | 179.8 | -101.3 | 0 | 0 | 0 | 114.6 | A133 W134 V168 | A133-Y170 HydrophobicContact CB-CD1 4.22Å; A133-Y170 HydrophobicContact CB-CD2 3.37Å; A133-Y170 HydrophobicContact CB-CE1 4.19Å; A133-Y170 HydrophobicContact CB-CE2 3.33Å; A133-Y170 HydrophobicContact CB-CG 3.83Å; W134-Y170 AromaticContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CE1 4.02Å; W134-Y170 HydrophobicContact CE3-CG 4.39Å; W134-Y170 HydrophobicContact CZ3-CD1 4.17Å; W134-Y170 HydrophobicContact CZ3-CE1 4.06Å; V168-Y170 PolarHBondContact O-N 3.21Å |
| 171 | F | 86.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -97.1 | -7.8 | -179.5 | -66.6 | -63.5 | 0 | 0 | 0 | 113.9 | W134 Y139 M164 V168 P169 R174 G175 W183 | W134-F171 HydrophobicContact CD2-CE2 4.04Å; W134-F171 HydrophobicContact CD2-CZ 4.28Å; W134-F171 AromaticContact CE3-CE2 3.86Å; W134-F171 HydrophobicContact CE3-CE2 3.86Å; W134-F171 AromaticContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CH2-CZ 4.26Å; W134-F171 HydrophobicContact CZ3-CE2 4.29Å; W134-F171 AromaticContact CZ3-CZ 3.69Å; W134-F171 HydrophobicContact CZ3-CZ 3.69Å; Y139-F171 HydrophobicContact CE1-CE2 4.35Å; Y139-F171 AromaticContact CE1-CZ 3.91Å; Y139-F171 HydrophobicContact CE1-CZ 3.91Å; M164-F171 HydrophobicContact CB-CD2 4.35Å; V168-F171 HydrophobicContact CB-CD2 3.91Å; V168-F171 HydrophobicContact CG1-CD2 3.65Å; V168-F171 HydrophobicContact CG1-CE2 4.1Å; V168-F171 PolarHBondContact O-N 3.13Å; P169-F171 PolarHBondContact O-N 2.73Å; F171-R174 CarbonylContact O-C 3.34Å; F171-R174 PolarHBondContact O-N 2.73Å; F171-R174 VanDerWaalsContact O-N 3.16Å; F171-G175 PolarHBondContact O-N 3.22Å; F171-G175 VanDerWaalsContact O-N 3.11Å; F171-W183 HydrophobicContact CD1-CB 4.41Å; F171-W183 AromaticContact CD1-CD1 3.98Å; F171-W183 AromaticContact CD1-CD2 3.81Å; F171-W183 HydrophobicContact CD1-CD2 3.81Å; F171-W183 AromaticContact CD1-CE2 3.93Å; F171-W183 HydrophobicContact CD1-CE3 4.33Å; F171-W183 AromaticContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CE1-CB 3.65Å; F171-W183 AromaticContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CE3 4.35Å; F171-W183 AromaticContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CZ-CB 4.34Å |
| 172 | K | 85.7 | Confident | 82.8 | Confident | 121 Ų | 121 | 74 Ų | 74 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.1 | -59.8 | 177.3 | -70.9 | 179.1 | 68.8 | -170.8 | 0 | 111.3 | V165 P169 R174 G175 | V165-K172 WeakPolarHBondContact O-CG 3.49Å; P169-K172 WeakPolarHBondContact O-CB 3.4Å; P169-K172 PolarHBondContact O-N 3.24Å; K172-R174 PolarHBondContact O-N 3.07Å; K172-G175 PolarHBondContact O-N 3.02Å |
| 173 | D | 82.3 | Confident | 82.7 | Confident | 140 Ų | 140 | 72 Ų | 72 | 75% | 0.749 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 9.9 | -176.7 | -33.5 | -47.6 | 0 | 0 | 0 | 112.2 | | |
| 174 | R | 77.8 | Confident | 82.6 | Confident | 132 Ų | 132 | 72.9 Ų | 72.9 | 50% | 0.498 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 15.8 | -177.8 | -56.1 | -66.5 | -165.7 | 165.6 | 2.1 | 112 | F171 K172 S180 W183 | F171-R174 CarbonylContact O-C 3.34Å; F171-R174 PolarHBondContact O-N 2.73Å; F171-R174 VanDerWaalsContact O-N 3.16Å; K172-R174 PolarHBondContact O-N 3.07Å; R174-S180 PolarHBondContact O-OG 2.79Å; R174-W183 PolarHBondContact O-NE1 3.36Å |
| 175 | G | 74.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -78.2 | -47.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | V165 F171 K172 S180 K184 | V165-G175 VanDerWaalsContact CG2-CA 3.49Å; F171-G175 PolarHBondContact O-N 3.22Å; F171-G175 VanDerWaalsContact O-N 3.11Å; K172-G175 PolarHBondContact O-N 3.02Å; G175-S180 PolarHBondContact O-OG 2.87Å; G175-S180 VanDerWaalsContact O-OG 3.07Å; G175-K184 PolarHBondContact O-NZ 3.2Å |
| 176 | D | 70.2 | Confident | 82.6 | Confident | 157 Ų | 157 | 77 Ų | 77 | 84% | 0.84 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -104.8 | -20.9 | -164.9 | -48.2 | -51.5 | 0 | 0 | 0 | 113.5 | | |
| 177 | S | 75 | Confident | 82.8 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -61.8 | 137.5 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | S179 S180 | S177-S179 PolarHBondContact O-N 2.82Å; S177-S179 VanDerWaalsContact O-N 3.09Å; S177-S179 PolarHBondContact OG-N 2.93Å; S177-S180 WeakPolarHBondContact O-CB 3.4Å; S177-S180 PolarHBondContact O-N 2.68Å; S177-S180 PolarHBondContact O-OG 3.36Å |
| 178 | N | 67.8 | Low | 83 | Confident | 154 Ų | 154 | 70.5 Ų | 70.5 | 82% | 0.824 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -55.2 | -29.4 | 176.8 | -164.1 | 10.1 | 0 | 0 | 0 | 112.3 | S180 A181 | N178-S180 PolarHBondContact O-N 3.02Å; N178-A181 PolarHBondContact O-N 3.04Å |
| 179 | S | 62.8 | Low | 83.3 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 67% | 0.671 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -58.3 | -8 | 171.4 | -51.2 | 0 | 0 | 0 | 0 | 115 | S177 A181 | S177-S179 PolarHBondContact O-N 2.82Å; S177-S179 VanDerWaalsContact O-N 3.09Å; S177-S179 PolarHBondContact OG-N 2.93Å; S179-A181 PolarHBondContact O-N 3.38Å; S179-A181 VanDerWaalsContact O-N 3.13Å |
| 180 | S | 66.9 | Low | 83.7 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 5% | 0.049 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -53.9 | -23.3 | 169.8 | -66.2 | 0 | 0 | 0 | 0 | 114.7 | R174 G175 S177 N178 G182 W183 K184 | R174-S180 PolarHBondContact O-OG 2.79Å; G175-S180 PolarHBondContact O-OG 2.87Å; G175-S180 VanDerWaalsContact O-OG 3.07Å; S177-S180 WeakPolarHBondContact O-CB 3.4Å; S177-S180 PolarHBondContact O-N 2.68Å; S177-S180 PolarHBondContact O-OG 3.36Å; N178-S180 PolarHBondContact O-N 3.02Å; S180-G182 PolarHBondContact O-N 3.03Å; S180-G182 VanDerWaalsContact O-N 3.09Å; S180-W183 PolarHBondContact O-N 3.38Å; S180-K184 VanDerWaalsContact CB-CE 3.47Å; S180-K184 WeakPolarHBondContact O-CB 3.21Å; S180-K184 WeakPolarHBondContact O-CG 3.48Å; S180-K184 PolarHBondContact O-N 2.88Å; S180-K184 PolarHBondContact OG-NZ 3.07Å |
| 181 | A | 74.6 | Confident | 84.1 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 49% | 0.488 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -48.8 | -41.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N178 S179 N185 | N178-A181 PolarHBondContact O-N 3.04Å; S179-A181 PolarHBondContact O-N 3.38Å; S179-A181 VanDerWaalsContact O-N 3.13Å; A181-N185 VanDerWaalsContact O-CB 3.26Å; A181-N185 WeakPolarHBondContact O-CB 3.47Å; A181-N185 PolarHBondContact O-N 2.85Å |
| 182 | G | 88.3 | Confident | 84.5 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 55% | 0.546 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -52 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S180 N185 S186 | S180-G182 PolarHBondContact O-N 3.03Å; S180-G182 VanDerWaalsContact O-N 3.09Å; G182-N185 WeakPolarHBondContact O-CB 3.29Å; G182-N185 PolarHBondContact O-N 2.86Å; G182-S186 PolarHBondContact O-N 3.14Å; G182-S186 VanDerWaalsContact O-N 3.15Å |
| 183 | W | 91.4 | Very high | 84.9 | Confident | 22 Ų | 22 | 69.5 Ų | 69.5 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.8 | -40.6 | -179.3 | 74.8 | -103.7 | 0 | 0 | 0 | 111.3 | Y161 M164 V165 F171 R174 S180 N185 S186 I187 | Y161-W183 HydrophobicContact CD1-CZ3 4.14Å; M164-W183 HydrophobicContact CB-CH2 4.05Å; M164-W183 HydrophobicContact CB-CZ3 3.79Å; M164-W183 HydrophobicContact CG-CZ3 4.1Å; V165-W183 HydrophobicContact CG2-CH2 3.97Å; V165-W183 HydrophobicContact CG2-CZ2 3.91Å; F171-W183 HydrophobicContact CD1-CB 4.41Å; F171-W183 AromaticContact CD1-CD1 3.98Å; F171-W183 AromaticContact CD1-CD2 3.81Å; F171-W183 HydrophobicContact CD1-CD2 3.81Å; F171-W183 AromaticContact CD1-CE2 3.93Å; F171-W183 HydrophobicContact CD1-CE3 4.33Å; F171-W183 AromaticContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CE1-CB 3.65Å; F171-W183 AromaticContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CE3 4.35Å; F171-W183 AromaticContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CZ-CB 4.34Å; R174-W183 PolarHBondContact O-NE1 3.36Å; S180-W183 PolarHBondContact O-N 3.38Å; W183-N185 PolarHBondContact O-N 2.84Å; W183-S186 PolarHBondContact O-N 3.48Å; W183-S186 PolarHBondContact O-OG 3.43Å; W183-I187 HydrophobicContact CE3-CG1 4.14Å; W183-I187 HydrophobicContact CZ3-CG1 4.32Å; W183-I187 PolarHBondContact O-N 3.47Å; W183-I187 VanDerWaalsContact O-N 3.12Å |
| 184 | K | 93.3 | Very high | 85.4 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 20% | 0.2 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -30.4 | 173.5 | -66.8 | -179.1 | -176.8 | 162.3 | 0 | 111.5 | Y161 G175 S180 R188 | Y161-K184 HydrophobicContact CD1-CB 4.08Å; Y161-K184 HydrophobicContact CD1-CD 4.36Å; Y161-K184 HydrophobicContact CD1-CG 3.79Å; Y161-K184 HydrophobicContact CD2-CD 4.21Å; Y161-K184 HydrophobicContact CE1-CB 3.66Å; Y161-K184 HydrophobicContact CE1-CG 3.9Å; Y161-K184 HydrophobicContact CE2-CD 4.41Å; Y161-K184 HydrophobicContact CG-CD 4.18Å; Y161-K184 HydrophobicContact CG-CG 4.1Å; G175-K184 PolarHBondContact O-NZ 3.2Å; S180-K184 VanDerWaalsContact CB-CE 3.47Å; S180-K184 WeakPolarHBondContact O-CB 3.21Å; S180-K184 WeakPolarHBondContact O-CG 3.48Å; S180-K184 PolarHBondContact O-N 2.88Å; S180-K184 PolarHBondContact OG-NZ 3.07Å; K184-R188 PolarHBondContact O-N 3.29Å; K184-R188 PolarHBondContact O-NH1 3.25Å |
| 185 | N | 94 | Very high | 86 | Confident | 89 Ų | 89 | 65.2 Ų | 65.2 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.6 | -43.3 | 172.1 | -159.7 | 36.7 | 0 | 0 | 0 | 113.3 | A181 G182 W183 I187 R188 H189 | A181-N185 VanDerWaalsContact O-CB 3.26Å; A181-N185 WeakPolarHBondContact O-CB 3.47Å; A181-N185 PolarHBondContact O-N 2.85Å; G182-N185 WeakPolarHBondContact O-CB 3.29Å; G182-N185 PolarHBondContact O-N 2.86Å; W183-N185 PolarHBondContact O-N 2.84Å; N185-I187 PolarHBondContact O-N 3.45Å; N185-R188 PolarHBondContact O-N 3.43Å; N185-R188 VanDerWaalsContact O-N 3.13Å; N185-R188 PolarHBondContact OD1-NE 3.38Å; N185-R188 PolarHBondContact OD1-NH2 3.38Å; N185-H189 PolarHBondContact O-N 3.31Å |
| 186 | S | 94.7 | Very high | 86.9 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.7 | -32 | 176.4 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | Y139 G182 W183 N190 | Y139-S186 WeakPolarHBondContact CE2-OG 3.41Å; Y139-S186 PolarHBondContact OH-OG 3.25Å; G182-S186 PolarHBondContact O-N 3.14Å; G182-S186 VanDerWaalsContact O-N 3.15Å; W183-S186 PolarHBondContact O-N 3.48Å; W183-S186 PolarHBondContact O-OG 3.43Å; S186-N190 WeakPolarHBondContact O-CB 3.26Å; S186-N190 PolarHBondContact O-N 3.07Å; S186-N190 PolarHBondContact O-ND2 2.71Å |
| 187 | I | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 170.2 | -63.8 | -60.4 | 0 | 0 | 0 | 111.3 | Y139 I143 L157 I160 Y161 M164 W183 N185 H189 N190 L191 | Y139-I187 HydrophobicContact CD1-CD1 3.57Å; Y139-I187 HydrophobicContact CE1-CD1 4.17Å; Y139-I187 HydrophobicContact CG-CD1 4.3Å; I143-I187 HydrophobicContact CD1-CD1 3.94Å; I143-I187 HydrophobicContact CD1-CG2 4.2Å; I143-I187 HydrophobicContact CG1-CD1 3.93Å; I143-I187 HydrophobicContact CG1-CG2 4.43Å; L157-I187 HydrophobicContact CD1-CG2 4.3Å; I160-I187 HydrophobicContact CG2-CG2 3.81Å; Y161-I187 HydrophobicContact CD1-CG2 4.33Å; Y161-I187 HydrophobicContact CE1-CB 4.24Å; Y161-I187 HydrophobicContact CE1-CG2 4.13Å; M164-I187 HydrophobicContact CE-CD1 3.68Å; M164-I187 HydrophobicContact CG-CD1 4.31Å; M164-I187 HydrophobicContact SD-CD1 3.99Å; W183-I187 HydrophobicContact CE3-CG1 4.14Å; W183-I187 HydrophobicContact CZ3-CG1 4.32Å; W183-I187 PolarHBondContact O-N 3.47Å; W183-I187 VanDerWaalsContact O-N 3.12Å; N185-I187 PolarHBondContact O-N 3.45Å; I187-H189 VanDerWaalsContact C-N 3.29Å; I187-H189 PolarHBondContact O-N 2.72Å; I187-N190 PolarHBondContact O-N 3.01Å; I187-L191 HydrophobicContact CG2-CD1 3.97Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 3.07Å |
| 188 | R | 96.3 | Very high | 89.1 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57 | -42.1 | 177.4 | -68.8 | -174.8 | -60.4 | -98.8 | 13 | 112.4 | L157 Y161 K184 N185 L191 S192 | L157-R188 HydrophobicContact CD1-CG 4Å; L157-R188 HydrophobicContact CD2-CG 3.98Å; Y161-R188 PolarHBondContact OH-NH1 2.76Å; K184-R188 PolarHBondContact O-N 3.29Å; K184-R188 PolarHBondContact O-NH1 3.25Å; N185-R188 PolarHBondContact O-N 3.43Å; N185-R188 VanDerWaalsContact O-N 3.13Å; N185-R188 PolarHBondContact OD1-NE 3.38Å; N185-R188 PolarHBondContact OD1-NH2 3.38Å; R188-L191 PolarHBondContact O-N 3.15Å; R188-S192 PolarHBondContact O-N 3.22Å; R188-S192 PolarHBondContact O-OG 3.29Å |
| 189 | H | 96.1 | Very high | 90.4 | Very high | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.3 | 174.8 | 69.3 | 0 | 0 | 0 | 112.6 | N185 I187 L191 S192 L193 | N185-H189 PolarHBondContact O-N 3.31Å; I187-H189 VanDerWaalsContact C-N 3.29Å; I187-H189 PolarHBondContact O-N 2.72Å; H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.04Å; H189-S192 PolarHBondContact O-N 3.12Å; H189-S192 PolarHBondContact O-OG 3.3Å; H189-L193 WeakPolarHBondContact O-CB 3.48Å; H189-L193 PolarHBondContact O-N 3.44Å |
| 190 | N | 96.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.08 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -36.3 | 177.9 | -86.9 | -106.7 | 0 | 0 | 0 | 112.2 | A140 I143 S186 I187 S192 H194 F197 | A140-N190 PolarHBondContact N-OD1 3.35Å; I143-N190 HydrophobicContact CD1-CB 3.62Å; S186-N190 WeakPolarHBondContact O-CB 3.26Å; S186-N190 PolarHBondContact O-N 3.07Å; S186-N190 PolarHBondContact O-ND2 2.71Å; I187-N190 PolarHBondContact O-N 3.01Å; N190-S192 VanDerWaalsContact C-N 3.35Å; N190-S192 PolarHBondContact O-N 2.89Å; N190-H194 PolarHBondContact O-N 2.79Å; N190-F197 WeakPolarHBondContact O-CD2 3.49Å |
| 191 | L | 95.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -32.4 | 177.1 | -73.2 | 167.8 | 0 | 0 | 0 | 113.3 | I143 L157 I160 I187 R188 H189 F197 W211 | I143-L191 HydrophobicContact CD1-CD2 4.49Å; I143-L191 HydrophobicContact CD1-CG 4.27Å; I143-L191 HydrophobicContact CG2-CD2 3.61Å; I143-L191 HydrophobicContact CG2-CG 4.48Å; L157-L191 HydrophobicContact CD1-CD1 3.62Å; I160-L191 HydrophobicContact CD1-CD1 4.15Å; I160-L191 HydrophobicContact CD1-CD2 4.19Å; I187-L191 HydrophobicContact CG2-CD1 3.97Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 3.07Å; R188-L191 PolarHBondContact O-N 3.15Å; H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.04Å; L191-F197 HydrophobicContact CD2-CB 4.06Å; L191-F197 HydrophobicContact CD2-CD1 4.36Å; L191-F197 HydrophobicContact CD2-CD2 4.22Å; L191-F197 HydrophobicContact CD2-CG 3.94Å; L191-W211 HydrophobicContact CB-CD2 4.22Å; L191-W211 HydrophobicContact CB-CE3 4.1Å; L191-W211 HydrophobicContact CB-CH2 3.83Å; L191-W211 HydrophobicContact CB-CZ2 3.98Å; L191-W211 HydrophobicContact CB-CZ3 3.9Å; L191-W211 HydrophobicContact CD1-CD2 4.2Å; L191-W211 HydrophobicContact CD1-CG 4.3Å; L191-W211 HydrophobicContact CD1-CZ2 4.47Å; L191-W211 HydrophobicContact CD2-CB 4.19Å; L191-W211 HydrophobicContact CD2-CD2 3.82Å; L191-W211 HydrophobicContact CD2-CE3 3.9Å; L191-W211 HydrophobicContact CD2-CG 3.95Å; L191-W211 HydrophobicContact CG-CD2 4.31Å; L191-W211 HydrophobicContact CG-CE3 4.49Å; L191-W211 WeakPolarHBondContact O-CZ3 3.27Å |
| 192 | S | 94.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 62 Ų | 62 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -92.3 | -29.2 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | R188 H189 N190 | R188-S192 PolarHBondContact O-N 3.22Å; R188-S192 PolarHBondContact O-OG 3.29Å; H189-S192 PolarHBondContact O-N 3.12Å; H189-S192 PolarHBondContact O-OG 3.3Å; N190-S192 VanDerWaalsContact C-N 3.35Å; N190-S192 PolarHBondContact O-N 2.89Å |
| 193 | L | 94.5 | Very high | 93.7 | Very high | 103 Ų | 103 | 67.6 Ų | 67.6 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.6 | -40.5 | 179.3 | -174.9 | 85.5 | 0 | 0 | 0 | 112.5 | H189 | H189-L193 WeakPolarHBondContact O-CB 3.48Å; H189-L193 PolarHBondContact O-N 3.44Å |
| 194 | H | 92.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 68 Ų | 68 | 33% | 0.333 | 35% | 0.354 | S | S | . | . | | | trans | -100.9 | 113.6 | -172.1 | -69 | -54.4 | 0 | 0 | 0 | 112.5 | N190 R196 F197 | N190-H194 PolarHBondContact O-N 2.79Å; H194-R196 PolarHBondContact O-N 3.15Å; H194-F197 HydrophobicContact CB-CD2 3.87Å; H194-F197 HydrophobicContact CB-CE2 3.91Å; H194-F197 PolarHBondContact O-N 3.16Å |
| 195 | S | 91.7 | Very high | 92.1 | Very high | 111 Ų | 111 | 73 Ų | 73 | 78% | 0.776 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 0.2 | 174.2 | 58.3 | 0 | 0 | 0 | 0 | 115.8 | F197 | S195-F197 VanDerWaalsContact C-N 3.26Š|
| 196 | R | 93.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 72.9 Ų | 72.9 | 33% | 0.328 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31 | 161.9 | 177.2 | 179.3 | -75.4 | 169 | 0.8 | 111.2 | T144 H194 V213 N214 G217 | T144-R196 WeakPolarHBondContact OG1-CD 3.32Å; T144-R196 PolarHBondContact OG1-NH1 3.22Å; H194-R196 PolarHBondContact O-N 3.15Å; R196-V213 HydrophobicContact CG-CG1 4Å; R196-N214 VanDerWaalsContact O-CB 3.29Å; R196-N214 WeakPolarHBondContact O-CB 3.49Å; R196-N214 PolarHBondContact O-N 3.06Å; R196-G217 PolarHBondContact NE-O 3.23Å |
| 197 | F | 95.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 77.9 Ų | 77.9 | 5% | 0.048 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.7 | 179.8 | -50.7 | -59.5 | 0 | 0 | 0 | 110.2 | A140 I143 I147 N190 L191 H194 S195 W211 I212 V213 | A140-F197 HydrophobicContact CB-CE2 4.34Å; A140-F197 HydrophobicContact CB-CZ 4.39Å; A140-F197 WeakPolarHBondContact O-CZ 3.4Å; I143-F197 HydrophobicContact CB-CE1 4.1Å; I143-F197 HydrophobicContact CB-CE2 4.48Å; I143-F197 HydrophobicContact CB-CZ 3.83Å; I143-F197 HydrophobicContact CG2-CD1 3.9Å; I143-F197 HydrophobicContact CG2-CE1 3.45Å; I143-F197 VanDerWaalsContact CG2-CE1 3.45Å; I143-F197 HydrophobicContact CG2-CE2 4.18Å; I143-F197 HydrophobicContact CG2-CG 4.45Å; I143-F197 HydrophobicContact CG2-CZ 3.6Å; I147-F197 HydrophobicContact CD1-CD1 4.13Å; I147-F197 HydrophobicContact CD1-CE1 4.45Å; N190-F197 WeakPolarHBondContact O-CD2 3.49Å; L191-F197 HydrophobicContact CD2-CB 4.06Å; L191-F197 HydrophobicContact CD2-CD1 4.36Å; L191-F197 HydrophobicContact CD2-CD2 4.22Å; L191-F197 HydrophobicContact CD2-CG 3.94Å; H194-F197 HydrophobicContact CB-CD2 3.87Å; H194-F197 HydrophobicContact CB-CE2 3.91Å; H194-F197 PolarHBondContact O-N 3.16Å; S195-F197 VanDerWaalsContact C-N 3.26Å; F197-W211 HydrophobicContact CB-CE3 4.08Å; F197-W211 HydrophobicContact CB-CZ3 4.36Å; F197-I212 WeakPolarHBondContact CA-O 3.5Å; F197-V213 HydrophobicContact CD1-CG2 4.28Å; F197-V213 HydrophobicContact CE1-CG2 4.12Å |
| 198 | V | 94.5 | Very high | 90.7 | Very high | 59 Ų | 59 | 80.8 Ų | 80.8 | 36% | 0.358 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.9 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | V200 W211 I212 N214 | V198-V200 HydrophobicContact CG1-CG2 4.31Å; V198-W211 WeakPolarHBondContact O-CA 3.4Å; V198-I212 HydrophobicContact CB-CD1 4.34Å; V198-I212 HydrophobicContact CB-CG1 3.82Å; V198-I212 PolarHBondContact N-O 2.9Å; V198-I212 PolarHBondContact O-N 3.09Å; V198-N214 HydrophobicContact CG2-CB 4.14Å |
| 199 | K | 95.4 | Very high | 90.6 | Very high | 130 Ų | 130 | 77.2 Ų | 77.2 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.5 | 172.4 | -166.8 | -175.4 | 70.9 | 165.9 | 0 | 109 | W210 W211 | K199-W210 CarbonylContact C-O 3.57Å; K199-W210 WeakPolarHBondContact CA-O 3.46Å; K199-W211 HydrophobicContact CB-CD2 4.36Å; K199-W211 HydrophobicContact CB-CE3 4.01Å; K199-W211 HydrophobicContact CB-CH2 3.86Å; K199-W211 HydrophobicContact CB-CZ2 4.18Å; K199-W211 HydrophobicContact CB-CZ3 3.76Å; K199-W211 HydrophobicContact CD-CH2 4.43Å; K199-W211 HydrophobicContact CD-CZ2 4.15Å; K199-W211 HydrophobicContact CG-CD2 4.48Å; K199-W211 HydrophobicContact CG-CH2 4.29Å; K199-W211 HydrophobicContact CG-CZ2 4.11Å |
| 200 | V | 94.3 | Very high | 90.6 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 35% | 0.345 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.4 | 175.8 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | V198 S209 W210 I212 | V198-V200 HydrophobicContact CG1-CG2 4.31Å; V200-S209 WeakPolarHBondContact O-CB 3.3Å; V200-W210 HydrophobicContact CB-CB 4.27Å; V200-W210 PolarHBondContact N-O 3.36Å; V200-W210 PolarHBondContact O-N 3.12Å; V200-I212 HydrophobicContact CG2-CD1 3.78Å; V200-I212 HydrophobicContact CG2-CG1 3.95Å; V200-I212 HydrophobicContact CG2-CG2 4.16Å |
| 201 | Q | 92.8 | Very high | 90.5 | Very high | 110 Ų | 110 | 75 Ų | 75 | 51% | 0.514 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 148.7 | 178.3 | -176.4 | 45.5 | 38.6 | 0 | 0 | 110.5 | S209 | Q201-S209 PolarHBondContact OE1-OG 3.05Š|
| 202 | N | 89 | Confident | 90.5 | Very high | 15 Ų | 15 | 77 Ų | 77 | 8% | 0.08 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 146.9 | 177.2 | -152.3 | -23.9 | 0 | 0 | 0 | 110 | G204 K207 S208 W210 | N202-G204 PolarHBondContact O-N 3.09Å; N202-G204 VanDerWaalsContact O-N 3.07Å; N202-K207 HydrophobicContact CB-CB 4.38Å; N202-S208 WeakPolarHBondContact CB-O 3.18Å; N202-S208 PolarHBondContact ND2-O 3.34Å; N202-W210 PolarHBondContact ND2-NE1 2.96Å; N202-W210 PolarHBondContact OD1-NE1 3.11Å |
| 203 | E | 85.9 | Confident | 90.6 | Very high | 171 Ų | 171 | 73.7 Ų | 73.7 | 80% | 0.799 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -62.2 | -17.5 | -174.3 | -48.1 | -53.8 | 132 | 0 | 0 | 113.8 | | |
| 204 | G | 78.6 | Confident | 90.3 | Very high | 30 Ų | 30 | 71.1 Ų | 71.1 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -108.5 | 124.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N202 G206 K207 | N202-G204 PolarHBondContact O-N 3.09Å; N202-G204 VanDerWaalsContact O-N 3.07Å; G204-G206 PolarHBondContact O-N 3.45Å; G204-K207 WeakPolarHBondContact O-CB 3.34Å; G204-K207 PolarHBondContact O-N 3.21Å; G204-K207 VanDerWaalsContact O-N 3.07Å |
| 205 | T | 72.8 | Confident | 89.9 | Confident | 153 Ų | 153 | 71.9 Ų | 71.9 | 94% | 0.939 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 134.6 | 169.3 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | K207 | T205-K207 VanDerWaalsContact C-N 3.25Å; T205-K207 PolarHBondContact O-N 3.36Å |
| 206 | G | 77.5 | Confident | 88.7 | Confident | 86 Ų | 86 | 73.3 Ų | 73.3 | 89% | 0.887 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -11.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G204 | G204-G206 PolarHBondContact O-N 3.45Š|
| 207 | K | 84 | Confident | 87.1 | Confident | 132 Ų | 132 | 71 Ų | 71 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -83.9 | 143.7 | 175.2 | -158 | 170.4 | -175.7 | 173.8 | 0 | 111.3 | N202 G204 T205 | N202-K207 HydrophobicContact CB-CB 4.38Å; G204-K207 WeakPolarHBondContact O-CB 3.34Å; G204-K207 PolarHBondContact O-N 3.21Å; G204-K207 VanDerWaalsContact O-N 3.07Å; T205-K207 VanDerWaalsContact C-N 3.25Å; T205-K207 PolarHBondContact O-N 3.36Å |
| 208 | S | 91.8 | Very high | 85.5 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 42% | 0.42 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -60 | 137.1 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | N202 | N202-S208 WeakPolarHBondContact CB-O 3.18Å; N202-S208 PolarHBondContact ND2-O 3.34Å |
| 209 | S | 95 | Very high | 83.7 | Confident | 25 Ų | 25 | 77.6 Ų | 77.6 | 18% | 0.175 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -61 | 148.8 | 178.9 | -48 | 0 | 0 | 0 | 0 | 112 | V200 Q201 | V200-S209 WeakPolarHBondContact O-CB 3.3Å; Q201-S209 PolarHBondContact OE1-OG 3.05Å |
| 210 | W | 95.6 | Very high | 81.5 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 11% | 0.114 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 147.7 | 170.1 | -62.9 | 107.2 | 0 | 0 | 0 | 110.7 | R154 T156 K199 V200 N202 | R154-W210 HydrophobicContact CB-CB 4.39Å; R154-W210 HydrophobicContact CB-CD2 4.48Å; R154-W210 HydrophobicContact CB-CE3 4.11Å; R154-W210 HydrophobicContact CG-CD2 4.08Å; R154-W210 HydrophobicContact CG-CE3 3.73Å; R154-W210 HydrophobicContact CG-CZ3 4.12Å; T156-W210 HydrophobicContact CG2-CD2 4.17Å; T156-W210 HydrophobicContact CG2-CE3 3.73Å; T156-W210 HydrophobicContact CG2-CH2 4.21Å; T156-W210 HydrophobicContact CG2-CZ3 3.76Å; K199-W210 CarbonylContact C-O 3.57Å; K199-W210 WeakPolarHBondContact CA-O 3.46Å; V200-W210 HydrophobicContact CB-CB 4.27Å; V200-W210 PolarHBondContact N-O 3.36Å; V200-W210 PolarHBondContact O-N 3.12Å; N202-W210 PolarHBondContact ND2-NE1 2.96Å; N202-W210 PolarHBondContact OD1-NE1 3.11Å |
| 211 | W | 96.6 | Very high | 79.6 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 14% | 0.144 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129 | 165.1 | -68.1 | 95.4 | 0 | 0 | 0 | 108.9 | I147 R154 L155 I160 L191 F197 V198 K199 | I147-W211 HydrophobicContact CD1-CB 4.21Å; R154-W211 WeakPolarHBondContact CA-O 3.45Å; L155-W211 PolarHBondContact N-O 2.97Å; L155-W211 PolarHBondContact O-N 3.08Å; I160-W211 HydrophobicContact CD1-CB 4.13Å; I160-W211 HydrophobicContact CD1-CG 4.42Å; L191-W211 HydrophobicContact CB-CD2 4.22Å; L191-W211 HydrophobicContact CB-CE3 4.1Å; L191-W211 HydrophobicContact CB-CH2 3.83Å; L191-W211 HydrophobicContact CB-CZ2 3.98Å; L191-W211 HydrophobicContact CB-CZ3 3.9Å; L191-W211 HydrophobicContact CD1-CD2 4.2Å; L191-W211 HydrophobicContact CD1-CG 4.3Å; L191-W211 HydrophobicContact CD1-CZ2 4.47Å; L191-W211 HydrophobicContact CD2-CB 4.19Å; L191-W211 HydrophobicContact CD2-CD2 3.82Å; L191-W211 HydrophobicContact CD2-CE3 3.9Å; L191-W211 HydrophobicContact CD2-CG 3.95Å; L191-W211 HydrophobicContact CG-CD2 4.31Å; L191-W211 HydrophobicContact CG-CE3 4.49Å; L191-W211 WeakPolarHBondContact O-CZ3 3.27Å; F197-W211 HydrophobicContact CB-CE3 4.08Å; F197-W211 HydrophobicContact CB-CZ3 4.36Å; V198-W211 WeakPolarHBondContact O-CA 3.4Å; K199-W211 HydrophobicContact CB-CD2 4.36Å; K199-W211 HydrophobicContact CB-CE3 4.01Å; K199-W211 HydrophobicContact CB-CH2 3.86Å; K199-W211 HydrophobicContact CB-CZ2 4.18Å; K199-W211 HydrophobicContact CB-CZ3 3.76Å; K199-W211 HydrophobicContact CD-CH2 4.43Å; K199-W211 HydrophobicContact CD-CZ2 4.15Å; K199-W211 HydrophobicContact CG-CD2 4.48Å; K199-W211 HydrophobicContact CG-CH2 4.29Å; K199-W211 HydrophobicContact CG-CZ2 4.11Å |
| 212 | I | 95.1 | Very high | 77.5 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 24% | 0.241 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 150.9 | 174.9 | 68.5 | 171.6 | 0 | 0 | 0 | 110.3 | R154 F197 V198 V200 | R154-I212 HydrophobicContact CB-CG2 3.63Å; F197-I212 WeakPolarHBondContact CA-O 3.5Å; V198-I212 HydrophobicContact CB-CD1 4.34Å; V198-I212 HydrophobicContact CB-CG1 3.82Å; V198-I212 PolarHBondContact N-O 2.9Å; V198-I212 PolarHBondContact O-N 3.09Å; V200-I212 HydrophobicContact CG2-CD1 3.78Å; V200-I212 HydrophobicContact CG2-CG1 3.95Å; V200-I212 HydrophobicContact CG2-CG2 4.16Å |
| 213 | V | 95.2 | Very high | 75.7 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 13% | 0.127 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.6 | 161.7 | 171.9 | 0 | 0 | 0 | 0 | 107 | T144 I147 R196 F197 P215 | T144-V213 HydrophobicContact CG2-CG1 4.49Å; T144-V213 HydrophobicContact CG2-CG2 4.1Å; I147-V213 HydrophobicContact CB-CG2 3.89Å; I147-V213 HydrophobicContact CD1-CG2 4.08Å; I147-V213 HydrophobicContact CG2-CB 4.37Å; I147-V213 HydrophobicContact CG2-CG2 3.88Å; R196-V213 HydrophobicContact CG-CG1 4Å; F197-V213 HydrophobicContact CD1-CG2 4.28Å; F197-V213 HydrophobicContact CE1-CG2 4.12Å; V213-P215 WeakPolarHBondContact O-CD 3.32Å |
| 214 | N | 89.7 | Confident | 74 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 26% | 0.257 | 51% | 0.505 | S | S | . | . | | | trans | -58.4 | 115.5 | 173.4 | -177.5 | -9.9 | 0 | 0 | 0 | 109.1 | R196 V198 E216 G217 G218 | R196-N214 VanDerWaalsContact O-CB 3.29Å; R196-N214 WeakPolarHBondContact O-CB 3.49Å; R196-N214 PolarHBondContact O-N 3.06Å; V198-N214 HydrophobicContact CG2-CB 4.14Å; N214-E216 PolarHBondContact O-N 2.83Å; N214-E216 WeakPolarHBondContact OD1-CB 3.41Å; N214-E216 PolarHBondContact OD1-N 3.44Å; N214-G217 PolarHBondContact O-N 2.9Å; N214-G218 PolarHBondContact O-N 2.84Å |
| 215 | P | 82.6 | Confident | 73.1 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37.6 | -174.5 | 22.9 | -33 | 0 | 0 | 0 | 111.9 | V213 G217 G218 | V213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 2.71Å; P215-G218 PolarHBondContact O-N 3.46Å |
| 216 | E | 67.3 | Low | 72.4 | Confident | 142 Ų | 142 | 93.3 Ų | 93.3 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | 176.3 | -54.1 | -56.2 | 107.5 | 0 | 0 | 112.1 | N214 G220 | N214-E216 PolarHBondContact O-N 2.83Å; N214-E216 WeakPolarHBondContact OD1-CB 3.41Å; N214-E216 PolarHBondContact OD1-N 3.44Å; E216-G220 PolarHBondContact O-N 3.08Å |
| 217 | G | 60.5 | Low | 71.5 | Confident | 37 Ų | 37 | 100.3 Ų | 100.3 | 38% | 0.381 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -88.5 | -1.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R196 N214 P215 | R196-G217 PolarHBondContact NE-O 3.23Å; N214-G217 PolarHBondContact O-N 2.9Å; P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 2.71Å |
| 218 | G | 61.2 | Low | 70.3 | Confident | 43 Ų | 43 | 99 Ų | 99 | 44% | 0.443 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -104.1 | -34.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N214 P215 | N214-G218 PolarHBondContact O-N 2.84Å; P215-G218 PolarHBondContact O-N 3.46Å |
| 219 | K | 56.8 | Low | 68.6 | Low | 166 Ų | 166 | 102.1 Ų | 102.1 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -133.6 | -20.7 | -163.7 | -52.2 | -176.9 | -174 | 178.8 | 0 | 113.1 | E148 G221 | E148-K219 VanDerWaalsContact OE1-CE 3.28Å; E148-K219 WeakPolarHBondContact OE1-CE 3.42Å; E148-K219 IonicContact OE1-NZ 2.77Å; E148-K219 PolarHBondContact OE1-NZ 3.09Å; K219-G221 PolarHBondContact O-N 3.3Å |
| 220 | G | 49.5 | Very low | 66.7 | Low | 47 Ų | 47 | 106.2 Ų | 106.2 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | | | trans | -78.2 | 99.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E216 K222 | E216-G220 PolarHBondContact O-N 3.08Å; G220-K222 PolarHBondContact O-N 3.43Å |
| 221 | G | 53.3 | Low | 64.8 | Low | 74 Ų | 74 | 112.7 Ų | 112.7 | 76% | 0.763 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -62.8 | 120.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K219 | K219-G221 PolarHBondContact O-N 3.3Š|
| 222 | K | 50.7 | Low | 62.5 | Low | 201 Ų | 201 | 117.8 Ų | 117.8 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 57.1 | 77.4 | 177.2 | -55 | 173.4 | -175.5 | 172.6 | 0 | 113.6 | G220 P224 | G220-K222 PolarHBondContact O-N 3.43Å; K222-P224 VanDerWaalsContact O-CD 3.28Å; K222-P224 WeakPolarHBondContact O-CD 3.49Å |
| 223 | A | 50.5 | Low | 60.2 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 74% | 0.744 | 68% | 0.675 | S | S | * | * | | | trans | -42.4 | 115.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R225 | A223-R225 PolarHBondContact O-N 2.95Š|
| 224 | P | 49.8 | Very low | 57.9 | Low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | | | trans | -62.5 | 115.8 | -170.8 | -27.4 | 36.1 | 0 | 0 | 0 | 111.2 | K222 R226 | K222-P224 VanDerWaalsContact O-CD 3.28Å; K222-P224 WeakPolarHBondContact O-CD 3.49Å; P224-R226 PolarHBondContact O-N 2.94Å |
| 225 | R | 58.8 | Low | 56 | Low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | | | trans | -58.3 | 102.4 | 171.6 | 179.1 | -179.4 | -72.3 | 166.9 | -3.4 | 107.6 | A223 R227 | A223-R225 PolarHBondContact O-N 2.95Å; R225-R227 PolarHBondContact O-N 3.23Å |
| 226 | R | 59 | Low | 54.4 | Low | 226 Ų | 226 | 138.6 Ų | 138.6 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | trans | -52.6 | 112.2 | -174.4 | -63.8 | 176 | 72.2 | -158.5 | 3.8 | 109.1 | P224 | P224-R226 PolarHBondContact O-N 2.94Š|
| 227 | R | 58.1 | Low | 53.6 | Low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64 | 134.5 | 154.7 | -67.2 | -171 | 179.9 | 103.6 | -3.1 | 106 | R225 V229 | R225-R227 PolarHBondContact O-N 3.23Å; R227-V229 PolarHBondContact O-N 2.88Å |
| 228 | A | 59.1 | Low | 52.9 | Low | 103 Ų | 103 | 148.5 Ų | 148.5 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S230 | A228-S230 PolarHBondContact O-N 2.94Š|
| 229 | V | 57.2 | Low | 52.4 | Low | 126 Ų | 126 | 150.1 Ų | 150.1 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 122.2 | 169.8 | -73.6 | 0 | 0 | 0 | 0 | 107.6 | R227 | R227-V229 PolarHBondContact O-N 2.88Š|
| 230 | S | 55.1 | Low | 51.9 | Low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 144 | 165.6 | -168.3 | 0 | 0 | 0 | 0 | 108.5 | A228 D232 | A228-S230 PolarHBondContact O-N 2.94Å; S230-D232 PolarHBondContact O-N 3.12Å |
| 231 | M | 53.9 | Low | 51.8 | Low | 167 Ų | 167 | 157.2 Ų | 157.2 | 82% | 0.823 | 83% | 0.826 | S | S | * | * | | | trans | -83.9 | 98.4 | 178.2 | -72.8 | 178.8 | 61.4 | 0 | 0 | 111 | N233 | M231-N233 PolarHBondContact O-N 3.27Š|
| 232 | D | 49.5 | Very low | 51.2 | Low | 144 Ų | 144 | 157.1 Ų | 157.1 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | | | trans | -85.8 | 98 | 163.1 | 66.8 | -65.9 | 0 | 0 | 0 | 110.7 | S230 S234 | S230-D232 PolarHBondContact O-N 3.12Å; D232-S234 PolarHBondContact O-N 3.13Å |
| 233 | N | 45.8 | Very low | 50.7 | Low | 138 Ų | 138 | 158.5 Ų | 158.5 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | | | trans | -93.6 | 77.1 | 176.7 | -163 | -16.1 | 0 | 0 | 0 | 110.9 | M231 | M231-N233 PolarHBondContact O-N 3.27Š|
| 234 | S | 48.3 | Very low | 50.3 | Low | 103 Ų | 103 | 159.5 Ų | 159.5 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | | | trans | -115.1 | 65.8 | -171.4 | -166 | 0 | 0 | 0 | 0 | 113.3 | D232 | D232-S234 PolarHBondContact O-N 3.13Š|
| 235 | K | 48 | Very low | 50.1 | Low | 196 Ų | 196 | 160.5 Ų | 160.5 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -135.1 | 15.7 | 178.3 | -72.8 | -165.4 | 178.7 | 178.6 | 0 | 118.1 | | |
| 236 | Y | 48.9 | Very low | 49.4 | Very low | 204 Ų | 204 | 158.3 Ų | 158.3 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | | | trans | -157.7 | 108 | 153.8 | 63.2 | -77.8 | 0 | 0 | 0 | 114.2 | | |
| 237 | I | 50.6 | Low | 48.5 | Very low | 176 Ų | 176 | 157.2 Ų | 157.2 | 90% | 0.903 | 84% | 0.835 | S | S | * | * | | | trans | -134.4 | 89.5 | 151.3 | -62.9 | -68.3 | 0 | 0 | 0 | 107.1 | | |
| 238 | K | 46 | Very low | 47.6 | Very low | 211 Ų | 211 | 155 Ų | 155 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | | | trans | -123.9 | 93.7 | 174.8 | -170.8 | 173.2 | -178.5 | 177 | 0 | 111 | | |
| 239 | G | 51.6 | Low | 46.4 | Very low | 77 Ų | 77 | 154.3 Ų | 154.3 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | 81.4 | 90.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 240 | A | 45.9 | Very low | 45.3 | Very low | 104 Ų | 104 | 153 Ų | 153 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | trans | -131.5 | 78.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G242 | A240-G242 VanDerWaalsContact C-N 3.27Å; A240-G242 PolarHBondContact O-N 2.87Å |
| 241 | R | 47 | Very low | 44.7 | Very low | 259 Ų | 259 | 155.3 Ų | 155.3 | 98% | 0.977 | 83% | 0.825 | S | S | * | * | | | trans | -79.2 | 71.8 | 179.2 | -168.5 | 177.9 | -177 | 175.7 | 1.2 | 110.7 | | |
| 242 | G | 41.9 | Very low | 44.1 | Very low | 71 Ų | 71 | 154.7 Ų | 154.7 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | -102.9 | 78.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A240 | A240-G242 VanDerWaalsContact C-N 3.27Å; A240-G242 PolarHBondContact O-N 2.87Å |
| 243 | R | 40.3 | Very low | 43.3 | Very low | 231 Ų | 231 | 151.2 Ų | 151.2 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | 35 | 100.7 | 155.8 | -57.8 | -176.9 | -175.8 | -151.5 | -0.5 | 118.3 | | |
| 244 | A | 41.3 | Very low | 42.8 | Very low | 110 Ų | 110 | 149 Ų | 149 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -62.7 | 138.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 245 | T | 46 | Very low | 42.2 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | trans | -124.4 | 156.4 | 172.5 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 246 | K | 42.8 | Very low | 41.3 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -125.3 | 115.4 | -153.7 | 166.4 | -168.3 | 169.1 | -175.6 | 0 | 112.6 | | |
| 247 | K | 42.1 | Very low | 40.5 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -157.5 | 122 | 154.6 | -84.8 | -178.7 | 179.4 | 178.6 | 0 | 104.4 | | |
| 248 | K | 38 | Very low | 39.8 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | cis | 59.5 | 132.5 | 29.6 | -167.2 | 173.1 | -177.8 | -177.6 | 0 | 114.3 | | |
| 249 | A | 35.2 | Very low | 39.2 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | 82.8 | 135.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 250 | S | 33.1 | Very low | 38.2 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | cis | -167.7 | 135.2 | 1.1 | 26.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 251 | L | 41.9 | Very low | 37.7 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 66.3 | 165.5 | 150.8 | -53.2 | 172.4 | 0 | 0 | 0 | 115.4 | | |
| 252 | Q | 42.3 | Very low | 37 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | | | cis | -140.7 | 166.5 | 4.6 | -173.3 | 54.8 | 29.3 | 0 | 0 | 110.5 | | |
| 253 | A | 33 | Very low | 36.7 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 60% | 0.595 | 77% | 0.766 | S | S | * | * | | | trans | -13.2 | 131.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 254 | A | 33.8 | Very low | 36.4 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | | 78.6 | 154.4 | 93.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 255 | Q | 35.9 | Very low | 36.2 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | cis | -147 | 176.2 | 10.3 | -143.4 | 175.6 | -77.4 | 0 | 0 | 109.1 | | |
| 256 | D | 30.4 | Very low | 35.7 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | 13.1 | 136.7 | 160.3 | -43.2 | -33.8 | 0 | 0 | 0 | 120.3 | | |
| 257 | G | 32.1 | Very low | 35.2 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | cis | 160.6 | -172.3 | 5.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 258 | S | 34.9 | Very low | 34.8 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | 74.6 | 154.8 | 179.5 | -157.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 259 | S | 33.3 | Very low | 34.7 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | | | trans | -79.8 | 170.5 | 170.9 | 53 | 0 | 0 | 0 | 0 | 111.4 | | |
| 260 | E | 31.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | cis | -151.1 | 176.1 | 9.6 | 36.7 | -120.4 | 72.7 | 0 | 0 | 113.5 | | |
| 261 | S | 35.2 | Very low | 34.6 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -23.8 | 153.3 | 157.3 | -62.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 262 | S | 32.8 | Very low | 34.8 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | cis | -171.7 | 172.6 | -3.2 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 263 | S | 35.4 | Very low | 34.3 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | 59.4 | 106.2 | 148.8 | 58.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 264 | S | 34.2 | Very low | 34.5 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | | 94.2 | 146.3 | 90.4 | 73.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 265 | L | 36.2 | Very low | 34.5 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | cis | -162.1 | 134.1 | -8.4 | 162.6 | 65.5 | 0 | 0 | 0 | 108.5 | | |
| 266 | S | 35.4 | Very low | 34.4 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | -73.8 | 130.8 | 173.1 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 267 | K | 33.3 | Very low | 34.4 | Very low | 198 Ų | 198 | 129.1 Ų | 129.1 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | | 53.9 | 104.7 | 68.9 | -161.4 | 170 | -175.5 | 175.9 | 0 | 113.2 | | |
| 268 | W | 33.6 | Very low | 34.5 | Very low | 246 Ų | 246 | 133.8 Ų | 133.8 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | | | trans | -92.7 | 145 | -178.9 | -83.2 | 60.3 | 0 | 0 | 0 | 113 | | |
| 269 | T | 35.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -156.7 | 136.7 | 165.5 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 270 | G | 28.6 | Very low | 34.8 | Very low | 82 Ų | 82 | 140.8 Ų | 140.8 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | 105.9 | 120.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 271 | S | 36.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -89.4 | 178.3 | 172.1 | -44.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 272 | P | 46.8 | Very low | 35.4 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | | -151 | 141.5 | 106.5 | 37.6 | -20.4 | 0 | 0 | 0 | 118.3 | | |
| 273 | T | 30.6 | Very low | 35.7 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | 39.5 | 112.4 | 141.4 | 63.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 274 | S | 37.9 | Very low | 36.1 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | | 61.2 | 128.2 | 117.7 | -46.6 | 0 | 0 | 0 | 0 | 123 | | |
| 275 | R | 34.3 | Very low | 36.2 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -156.6 | 134.8 | 134.9 | -108.5 | -178.8 | 83 | 147.4 | 4.7 | 112.9 | | |
| 276 | S | 32.6 | Very low | 36 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | | | trans | 33.6 | 117.1 | 156.2 | 53.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 277 | S | 31.6 | Very low | 36.4 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -41.4 | 130.7 | 156 | 169.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 278 | D | 35.1 | Very low | 36.5 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | -163 | 104.7 | 135.1 | -123.3 | -50.1 | 0 | 0 | 0 | 108.3 | | |
| 279 | E | 35.6 | Very low | 36.6 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -134.5 | 81.5 | -170.6 | -172.4 | -175.1 | 157.6 | 0 | 0 | 111.2 | | |
| 280 | L | 37.1 | Very low | 36.5 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -154.5 | 3.8 | 163 | -150.7 | 48.6 | 0 | 0 | 0 | 118.1 | | |
| 281 | D | 39.5 | Very low | 36.7 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 66% | 0.658 | 81% | 0.805 | S | S | * | * | | | trans | -118.2 | 30 | -175.5 | -131.8 | -33.8 | 0 | 0 | 0 | 114.6 | W283 T284 | D281-W283 VanDerWaalsContact C-N 3.32Å; D281-W283 PolarHBondContact O-N 2.92Å; D281-T284 WeakPolarHBondContact OD1-CB 3.49Å; D281-T284 WeakPolarHBondContact OD1-CG2 3.2Å; D281-T284 PolarHBondContact OD1-OG1 2.73Å |
| 282 | A | 40 | Very low | 36.6 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 4.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 283 | W | 39.3 | Very low | 36.3 | Very low | 252 Ų | 252 | 154.6 Ų | 154.6 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 5.6 | -173.2 | -82.8 | 77 | 0 | 0 | 0 | 114.8 | D281 | D281-W283 VanDerWaalsContact C-N 3.32Å; D281-W283 PolarHBondContact O-N 2.92Å |
| 284 | T | 43.4 | Very low | 36.5 | Very low | 92 Ų | 92 | 153.7 Ų | 153.7 | 56% | 0.564 | 81% | 0.812 | S | S | * | * | | | trans | -100.4 | -21.1 | -179.5 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | D281 F286 | D281-T284 WeakPolarHBondContact OD1-CB 3.49Å; D281-T284 WeakPolarHBondContact OD1-CG2 3.2Å; D281-T284 PolarHBondContact OD1-OG1 2.73Å; T284-F286 PolarHBondContact O-N 3.22Å |
| 285 | D | 36.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 50 | -172.9 | -165.4 | 36 | 0 | 0 | 0 | 115.4 | | |
| 286 | F | 33 | Very low | 36.3 | Very low | 213 Ų | 213 | 148.7 Ų | 148.7 | 93% | 0.934 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 7.9 | 160.2 | -89.9 | -68.9 | 0 | 0 | 0 | 113.7 | T284 | T284-F286 PolarHBondContact O-N 3.22Š|
| 287 | R | 43 | Very low | 36.5 | Very low | 222 Ų | 222 | 151.6 Ų | 151.6 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -138 | 83.6 | 175 | -67.5 | -168.7 | -177.6 | -83 | 0.2 | 114.6 | | |
| 288 | S | 34.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | | 120.1 | 94.1 | 127.9 | -49.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 289 | R | 37.2 | Very low | 36.6 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -169.1 | 146.1 | 138.3 | -102.4 | 157.2 | -172.6 | -145.5 | 1.4 | 107.4 | | |
| 290 | T | 32.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | S | Bend | cis | -117.7 | 171.3 | 6.4 | 64.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 291 | N | 33.4 | Very low | 36.5 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | cis | -119.9 | 151.4 | 19.8 | -72.4 | -10.6 | 0 | 0 | 0 | 113.6 | | |
| 292 | S | 34.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | trans | -124 | 130.1 | 156.7 | -53 | 0 | 0 | 0 | 0 | 108.1 | | |
| 293 | N | 40.6 | Very low | 36.7 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -161.6 | 130.1 | 146.9 | -113.8 | -17.5 | 0 | 0 | 0 | 111.3 | | |
| 294 | A | 34.7 | Very low | 36.3 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | 49 | 108.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 295 | S | 35.2 | Very low | 36.1 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | trans | -84.1 | 152.6 | 163.3 | -41.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 296 | T | 33 | Very low | 35.9 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 82% | 0.816 | 83% | 0.825 | S | S | * | * | | | trans | -158.6 | 116 | 137.9 | 29.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 297 | L | 35.4 | Very low | 36 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | | | trans | 30 | 129.4 | 130.6 | -56.8 | 172.7 | 0 | 0 | 0 | 121 | | |
| 298 | S | 36.5 | Very low | 35.9 | Very low | 124 Ų | 124 | 141 Ų | 141 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | | | trans | 71.2 | 117.1 | 142.1 | -159.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 299 | G | 32.4 | Very low | 36 | Very low | 64 Ų | 64 | 143.2 Ų | 143.2 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | | | | 86.4 | 92.3 | 112.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 300 | R | 36.4 | Very low | 36.2 | Very low | 239 Ų | 239 | 139.3 Ų | 139.3 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | 80.2 | 157.5 | 151.9 | -59.5 | -179.3 | 145.4 | -147.8 | -5.9 | 119.5 | | |
| 301 | L | 34.4 | Very low | 36.5 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | 81.1 | 131.2 | 166.7 | -52.4 | -173.8 | 0 | 0 | 0 | 117.6 | | |
| 302 | S | 41.2 | Very low | 36.6 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 154.2 | 177.5 | -49 | 0 | 0 | 0 | 0 | 111.2 | I304 | S302-I304 PolarHBondContact O-N 2.87Š|
| 303 | P | 41.8 | Very low | 36.9 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 127.7 | 168.1 | -16 | 30.5 | 0 | 0 | 0 | 110.7 | | |
| 304 | I | 32.3 | Very low | 37.5 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 137 | 173.4 | -67.9 | 175 | 0 | 0 | 0 | 109.2 | S302 | S302-I304 PolarHBondContact O-N 2.87Š|
| 305 | L | 38.2 | Very low | 37.6 | Very low | 169 Ų | 169 | 141 Ų | 141 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128.4 | 168.7 | -101.4 | 163.8 | 0 | 0 | 0 | 109.7 | | |
| 306 | A | 32.2 | Very low | 37.6 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 132.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 307 | N | 36.8 | Very low | 37.8 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | -155.2 | 112.4 | 162.2 | -151.9 | 38.1 | 0 | 0 | 0 | 112.6 | | |
| 308 | L | 40.3 | Very low | 38 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | 36.9 | 146.7 | 146.7 | -140.9 | 61.9 | 0 | 0 | 0 | 124.4 | | |
| 309 | E | 37.3 | Very low | 39 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 66.8 | 128 | 170.7 | -77.2 | 156.4 | 117 | 0 | 0 | 116.6 | | |
| 310 | L | 41.4 | Very low | 38.9 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | | 62.2 | 133.1 | 74.1 | -92.2 | 70.3 | 0 | 0 | 0 | 112.3 | | |
| 311 | D | 37.7 | Very low | 39 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | cis | -154.2 | -171.8 | 24.3 | -154.8 | 13.3 | 0 | 0 | 0 | 114.7 | | |
| 312 | E | 37.3 | Very low | 39.6 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | -27.4 | 130.2 | 175.8 | -71.3 | -161.4 | 109.4 | 0 | 0 | 120 | | |
| 313 | V | 40 | Very low | 39.5 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | | 114.9 | 153.9 | 89.6 | 158.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 314 | P | 52.4 | Low | 39 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | trans | -113.9 | -154 | -154.7 | 44.5 | -34 | 0 | 0 | 0 | 116.6 | | |
| 315 | D | 37.2 | Very low | 38.9 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | 85.5 | 146.3 | -173.6 | -71.1 | -148.8 | 0 | 0 | 0 | 115.4 | | |
| 316 | D | 35.5 | Very low | 38.5 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | cis | -160.3 | 178.3 | -28.2 | -168.7 | -158.1 | 0 | 0 | 0 | 108.7 | | |
| 317 | D | 36.8 | Very low | 38.7 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | 79.5 | 159.5 | 153.3 | -124.8 | -20.9 | 0 | 0 | 0 | 120.5 | | |
| 318 | S | 40.2 | Very low | 39.4 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -156.9 | 169.5 | 179.8 | -71.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 319 | P | 56.5 | Low | 39 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | cis | -126.9 | -139.3 | -7.4 | 40.2 | -22.3 | 0 | 0 | 0 | 111 | | |
| 320 | L | 32.1 | Very low | 38.8 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | 95.8 | 120.3 | 164.8 | -53.3 | 177 | 0 | 0 | 0 | 118 | | |
| 321 | S | 38.3 | Very low | 38.5 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -91.2 | 150.4 | 152.4 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 322 | P | 47.3 | Very low | 38.3 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | | -140.7 | 175.8 | 111.4 | 36.3 | -22.6 | 0 | 0 | 0 | 114.5 | | |
| 323 | M | 37.1 | Very low | 38.8 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | | | trans | -78.3 | 170.4 | -179.1 | -63.9 | 167 | 55 | 0 | 0 | 114.3 | | |
| 324 | L | 32.1 | Very low | 38.5 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | 142.7 | 149.2 | 152.3 | -78.2 | 163.1 | 0 | 0 | 0 | 108.7 | | |
| 325 | Y | 31 | Very low | 37.8 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | cis | -173.7 | 148.2 | -6.4 | 165.8 | -77.3 | 0 | 0 | 0 | 107.3 | | |
| 326 | S | 29.6 | Very low | 37.6 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | | | cis | -169.6 | 163.8 | -18.6 | -81 | 0 | 0 | 0 | 0 | 109.3 | | |
| 327 | S | 36.8 | Very low | 39 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -68.4 | 165.5 | 166.2 | -41.6 | 0 | 0 | 0 | 0 | 112 | | |
| 328 | P | 50.8 | Low | 39 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | -159.8 | 162.8 | 89.8 | 41.1 | -22.1 | 0 | 0 | 0 | 118.5 | | |
| 329 | S | 31.4 | Very low | 38.6 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 156.7 | 140.7 | 143.9 | -74.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 330 | S | 33.6 | Very low | 37.6 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | cis | -142.6 | 164.1 | 0.7 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 331 | M | 33.9 | Very low | 38.8 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | trans | -39.7 | 148.1 | 178.1 | -59.6 | -62.7 | 91.9 | 0 | 0 | 116.3 | | |
| 332 | S | 34.8 | Very low | 38.4 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | cis | 74 | 143.8 | 48.5 | -50.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 333 | P | 47.3 | Very low | 38.3 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | | -137.1 | 163.3 | 89.8 | 39.5 | -28.6 | 0 | 0 | 0 | 115.4 | | |
| 334 | S | 32.9 | Very low | 38.2 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | -160.9 | 158.7 | 170.2 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 335 | T | 37.9 | Very low | 38.4 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | 66.2 | 163.2 | -179 | 76.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 336 | G | 33.9 | Very low | 38.6 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | cis | -161.4 | -166.9 | 12.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 337 | P | 64.3 | Low | 38.9 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -119.4 | 172.2 | -150.1 | 42.6 | -34.5 | 0 | 0 | 0 | 116.5 | | |
| 338 | T | 37.1 | Very low | 38.9 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | | | trans | -174.6 | 154.7 | 148.1 | 9.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 339 | G | 32.8 | Very low | 38.6 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | 116.7 | 122.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 340 | L | 35.6 | Very low | 38.7 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -118.1 | 172.3 | 153.6 | -60.2 | 174.1 | 0 | 0 | 0 | 106.6 | | |
| 341 | P | 56 | Low | 38.7 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | cis | -133.6 | -160.4 | -1.4 | 36.1 | -14.2 | 0 | 0 | 0 | 113.5 | | |
| 342 | D | 30.7 | Very low | 38.7 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 113.6 | 165.1 | 136.7 | -144.3 | 13.8 | 0 | 0 | 0 | 120 | | |
| 343 | L | 45.4 | Very low | 39 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -112 | 101.2 | -150.2 | 175.5 | 72.8 | 0 | 0 | 0 | 113.8 | | |
| 344 | A | 34.4 | Very low | 38.9 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -166.2 | 154.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 345 | G | 36.3 | Very low | 39.2 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | cis | 134.8 | 22.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 346 | T | 35.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -152.8 | 122.4 | 169.8 | 39.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 347 | M | 35 | Very low | 40.6 | Very low | 172 Ų | 172 | 131 Ų | 131 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | | 34.2 | 102.8 | 126.8 | -49.2 | -171.7 | -57 | 0 | 0 | 120.1 | | |
| 348 | N | 38.2 | Very low | 39.8 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | | 12.6 | 121.2 | 122.1 | -174 | 30.4 | 0 | 0 | 0 | 118.9 | | |
| 349 | L | 43.3 | Very low | 40.2 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | | 177.8 | 132.5 | 111.9 | -95.5 | 172 | 0 | 0 | 0 | 115.3 | | |
| 350 | N | 33.3 | Very low | 40.7 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | 70.2 | 160.9 | 143.3 | -146.2 | 52.3 | 0 | 0 | 0 | 122.7 | | |
| 351 | D | 34.2 | Very low | 41.4 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | | | trans | 69.8 | 129.4 | 169.7 | -61.4 | -59.7 | 0 | 0 | 0 | 119.1 | | |
| 352 | G | 33.1 | Very low | 41.2 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | cis | 162.1 | 45.5 | -3.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 353 | L | 41.5 | Very low | 42 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | | | trans | -149 | 142 | 174.1 | -65.9 | 173.7 | 0 | 0 | 0 | 111.2 | | |
| 354 | S | 44.8 | Very low | 41.9 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 52% | 0.524 | 76% | 0.763 | S | S | . | * | | | cis | -171.5 | 100.5 | -17.5 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | N356 | S354-N356 PolarHBondContact O-N 3.43Š|
| 355 | D | 40.7 | Very low | 42.6 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | trans | -78.4 | 30 | -172.7 | -66.6 | -66.1 | 0 | 0 | 0 | 116 | L357 | D355-L357 PolarHBondContact O-N 2.87Š|
| 356 | N | 50.1 | Low | 42.5 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 39.1 | -170.5 | -70.2 | -61.4 | 0 | 0 | 0 | 115.6 | S354 | S354-N356 PolarHBondContact O-N 3.43Š|
| 357 | L | 49.5 | Very low | 42.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -6.2 | 178.7 | -146.4 | 78.1 | 0 | 0 | 0 | 115 | D355 | D355-L357 PolarHBondContact O-N 2.87Š|
| 358 | M | 47.5 | Very low | 42.4 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -106.7 | -33 | -176.8 | -69.4 | -67.1 | -70.6 | 0 | 0 | 114.2 | N360 | M358-N360 PolarHBondContact O-N 3.27Š|
| 359 | D | 46.4 | Very low | 42 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -76.3 | -23.8 | -171.2 | -58 | -54.4 | 0 | 0 | 0 | 114.2 | L361 L362 | D359-L361 PolarHBondContact O-N 3.47Å; D359-L362 PolarHBondContact O-N 3.35Å |
| 360 | N | 43.6 | Very low | 41.5 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -70.2 | 8.5 | -172.9 | -125.7 | -110.7 | 0 | 0 | 0 | 115.5 | M358 | M358-N360 PolarHBondContact O-N 3.27Š|
| 361 | L | 49.8 | Very low | 41.5 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -115.6 | -4.6 | 178.4 | -159 | 62.3 | 0 | 0 | 0 | 113.9 | D359 | D359-L361 PolarHBondContact O-N 3.47Š|
| 362 | L | 52.5 | Low | 41.6 | Very low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -29 | -178.8 | -120.9 | 67.5 | 0 | 0 | 0 | 114.6 | D359 N364 | D359-L362 PolarHBondContact O-N 3.35Å; L362-N364 PolarHBondContact O-N 2.82Å |
| 363 | D | 45.9 | Very low | 42.1 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -3 | -171.9 | -84.3 | -14.2 | 0 | 0 | 0 | 116.7 | | |
| 364 | N | 43.5 | Very low | 42.9 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 5.8 | -171.5 | -137.8 | -15.8 | 0 | 0 | 0 | 114.5 | L362 | L362-N364 PolarHBondContact O-N 2.82Š|
| 365 | I | 49.4 | Very low | 43.1 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -140.6 | 100.6 | 178.1 | -49.8 | 179.8 | 0 | 0 | 0 | 110.9 | | |
| 366 | S | 35.6 | Very low | 42.6 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | 78 | 140.6 | -174.4 | -30.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 367 | L | 37.6 | Very low | 41.8 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | cis | -136.7 | 155.4 | 17 | -72 | 161.4 | 0 | 0 | 0 | 112.5 | | |
| 368 | T | 29.4 | Very low | 41.1 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -127.3 | 94.4 | 167.6 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 369 | A | 30 | Very low | 40.8 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | | | trans | -160.4 | 105 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 370 | T | 34.1 | Very low | 41.3 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | 46.1 | 136.1 | 141.3 | 61.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 371 | Q | 32.8 | Very low | 40.7 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | | -179.4 | 127.9 | 54.6 | 173.8 | 163.1 | 86.7 | 0 | 0 | 114.6 | | |
| 372 | Q | 35.5 | Very low | 40 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | 57.9 | 175.4 | 147.6 | -93.3 | 174.1 | -49.5 | 0 | 0 | 121 | | |
| 373 | P | 43.8 | Very low | 39.3 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | cis | -127.2 | -144.2 | 21.3 | 43.7 | -21.2 | 0 | 0 | 0 | 115.6 | | |
| 374 | P | 57.6 | Low | 38.7 | Very low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | | -124.8 | -157.6 | -119.9 | 42.3 | -19.6 | 0 | 0 | 0 | 112.1 | | |
| 375 | P | 50.2 | Low | 38.3 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | cis | -134.2 | -173.9 | -4.9 | 43.9 | -27.1 | 0 | 0 | 0 | 115.7 | | |
| 376 | G | 29.3 | Very low | 37.5 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | 85.6 | 171.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 377 | E | 34.8 | Very low | 37.2 | Very low | 199 Ų | 199 | 127.7 Ų | 127.7 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | | | cis | -150.6 | 162.7 | -19.5 | -59.6 | -162.7 | 110 | 0 | 0 | 106.6 | | |
| 378 | E | 33.9 | Very low | 36.9 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | cis | -128.8 | -93.5 | 1.2 | 46 | 175.8 | 137.4 | 0 | 0 | 112.9 | | |
| 379 | D | 40.7 | Very low | 37 | Very low | 135 Ų | 135 | 124 Ų | 124 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -158.6 | 178.1 | -161.3 | -159.6 | 36.1 | 0 | 0 | 0 | 110.9 | | |
| 380 | P | 57.1 | Low | 37 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | -116.7 | 171.8 | -34 | 15.8 | 6.6 | 0 | 0 | 0 | 113.4 | | |
| 381 | G | 31.3 | Very low | 36.7 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | trans | -157.7 | -20.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 382 | A | 35.6 | Very low | 36.5 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | 64.6 | 127.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 383 | I | 37.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | 72.6 | 140 | 145.6 | -61.6 | 163.4 | 0 | 0 | 0 | 119.2 | | |
| 384 | S | 33.8 | Very low | 35.6 | Very low | 87 Ų | 87 | 125 Ų | 125 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | | | cis | -170 | 137.1 | -37.7 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 385 | Q | 35.2 | Very low | 34.4 | Very low | 199 Ų | 199 | 127.2 Ų | 127.2 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | | | trans | 61.4 | 146.8 | 167 | -49.4 | -176.4 | 16.4 | 0 | 0 | 116.8 | | |
| 386 | G | 31.1 | Very low | 33.4 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | | | cis | 164.2 | 161 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 387 | G | 31 | Very low | 33.7 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | 98.9 | 105 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 388 | S | 30.2 | Very low | 34.5 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | 51.8 | 122.8 | 146.2 | -147.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 389 | V | 32.3 | Very low | 34.5 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | -59.2 | 155.7 | 149.1 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 390 | F | 29.3 | Very low | 34 | Very low | 186 Ų | 186 | 117.9 Ų | 117.9 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | -142.1 | 146.3 | 154.6 | -99.7 | -75.9 | 0 | 0 | 0 | 112.9 | | |
| 391 | T | 28.6 | Very low | 32.7 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | | | trans | -41.3 | 152.8 | 166.9 | 53.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 392 | F | 28.6 | Very low | 32.8 | Very low | 187 Ų | 187 | 123.3 Ų | 123.3 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | | | trans | -85.9 | 120.3 | 161.9 | -176.6 | -99.8 | 0 | 0 | 0 | 111.6 | C394 | F392-C394 HydrophobicContact CZ-CB 4.12Å; F392-C394 WeakPolarHBondContact CZ-SG 3.22Å |
| 393 | S | 29.1 | Very low | 32.7 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -136.4 | 140.6 | 166.3 | -69.4 | 0 | 0 | 0 | 0 | 108 | | |
| 394 | C | 29.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 66% | 0.655 | 79% | 0.79 | S | S | * | * | | | trans | -149.4 | 140.1 | 169.4 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | F392 | F392-C394 HydrophobicContact CZ-CB 4.12Å; F392-C394 WeakPolarHBondContact CZ-SG 3.22Å |
| 395 | T | 32.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | trans | -142 | 148.7 | 174 | 48 | 0 | 0 | 0 | 0 | 108.4 | | |
| 396 | G | 29.5 | Very low | 33.5 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | 156.6 | 136.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 397 | S | 35.4 | Very low | 33.7 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -106.7 | -160.9 | 177.8 | -32.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 398 | P | 51.4 | Low | 33.9 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | cis | -140.4 | -167.4 | 13.4 | 44.2 | -23.6 | 0 | 0 | 0 | 116.8 | | |
| 399 | S | 34.1 | Very low | 34.2 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | 73.4 | 145.1 | 174 | 77.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 400 | G | 30 | Very low | 34.5 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | cis | 161.9 | 111.2 | -13 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 401 | G | 29.8 | Very low | 34.6 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | trans | 168.4 | 115.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 402 | Y | 34.8 | Very low | 34.8 | Very low | 241 Ų | 241 | 128 Ų | 128 | 95% | 0.945 | 81% | 0.809 | S | S | * | * | | | trans | 40.9 | 107.9 | 144.1 | -35.5 | -73.9 | 0 | 0 | 0 | 121.9 | | |
| 403 | G | 33.4 | Very low | 35.5 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | | 112.9 | 138.7 | 119.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 404 | S | 35.2 | Very low | 35.8 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | 86.3 | 135 | 163.1 | -45.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 405 | N | 40 | Very low | 36 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | | | trans | -81.6 | 162.8 | 177.2 | -50.3 | -57.3 | 0 | 0 | 0 | 111.1 | | |
| 406 | P | 47.9 | Very low | 36.3 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | | -146.4 | 165 | 90 | 38.5 | -22.1 | 0 | 0 | 0 | 117.7 | | |
| 407 | L | 34.7 | Very low | 36.6 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | | | trans | -15.5 | 127.9 | 169.7 | -77.3 | 54.3 | 0 | 0 | 0 | 121.2 | | |
| 408 | F | 34.8 | Very low | 36.8 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | | | trans | 58.2 | 126.1 | 135.1 | -96.5 | -91.8 | 0 | 0 | 0 | 123.1 | | |
| 409 | S | 36 | Very low | 35.9 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | | | trans | -77 | 161.6 | 178 | -52.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 410 | P | 39.5 | Very low | 36.3 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -73.8 | 153.1 | 177.7 | 31 | -37.3 | 0 | 0 | 0 | 114.1 | | |
| 411 | T | 31.9 | Very low | 36.6 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | | | trans | -87.1 | 110.8 | -179.9 | -16 | 0 | 0 | 0 | 0 | 112.4 | | |
| 412 | S | 32.7 | Very low | 37.4 | Very low | 115 Ų | 115 | 150 Ų | 150 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 127.4 | 161.1 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 413 | I | 42.7 | Very low | 37.6 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 135.9 | 175 | 56.6 | 173.3 | 0 | 0 | 0 | 111.2 | | |
| 414 | T | 35.3 | Very low | 37.8 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 162.1 | -178.1 | 53 | 0 | 0 | 0 | 0 | 112.2 | | |
| 415 | S | 35.3 | Very low | 37.7 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 173.4 | -172.9 | -52.9 | 0 | 0 | 0 | 0 | 115 | | |
| 416 | L | 38.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | | | trans | 79.5 | 98.9 | 159.9 | -57.3 | 170.4 | 0 | 0 | 0 | 118.7 | | |
| 417 | R | 35.5 | Very low | 36.5 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | | | | -158.5 | 117.2 | 121.8 | -113.1 | -68.2 | 163.1 | -155.6 | -4 | 112.3 | | |
| 418 | Q | 39.5 | Very low | 36.5 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -94.5 | 149.5 | 156.7 | -75 | 177.9 | -19.2 | 0 | 0 | 109.5 | | |
| 419 | S | 33.5 | Very low | 36.3 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -133.3 | 128.3 | 176.5 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 420 | P | 42.5 | Very low | 36.1 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 156.7 | -179.6 | 32.8 | -35.5 | 0 | 0 | 0 | 112.1 | | |
| 421 | M | 34.6 | Very low | 35.6 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 148.7 | 170.4 | -134.8 | -165.3 | 81.7 | 0 | 0 | 110.7 | | |
| 422 | Q | 46.8 | Very low | 35.5 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 151.7 | 179 | -69.5 | 178.1 | -23.8 | 0 | 0 | 112.1 | | |
| 423 | T | 39.2 | Very low | 35.2 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | -109.8 | 153.7 | 168.1 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 424 | I | 38.1 | Very low | 34.8 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -83 | 151.3 | -176.8 | -70 | 172.9 | 0 | 0 | 0 | 110.3 | | |
| 425 | Q | 33.3 | Very low | 34.5 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -132.8 | 114.6 | -165 | -175.8 | -174.7 | 16.3 | 0 | 0 | 114.2 | | |
| 426 | E | 32.4 | Very low | 34.3 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -139.9 | 127.7 | 152.5 | 59.3 | -162.7 | 134.2 | 0 | 0 | 107.8 | | |
| 427 | N | 29.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 60% | 0.604 | 79% | 0.792 | S | S | * | * | | | cis | 76 | 100 | 29.3 | -151.2 | 11.6 | 0 | 0 | 0 | 109.5 | | |
| 428 | K | 33.9 | Very low | 33.8 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | cis | -146.2 | 173.5 | 25.6 | -59 | 155.6 | -158.3 | -56.2 | 0 | 108.5 | | |
| 429 | Q | 31.7 | Very low | 33.4 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | | -179.1 | 156.1 | 50.6 | -142.2 | 174.2 | -0.8 | 0 | 0 | 111.4 | | |
| 430 | T | 30.6 | Very low | 33.3 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | 60 | 158.7 | 159.4 | 47.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 431 | T | 30.7 | Very low | 32.8 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | cis | 171.5 | 98.6 | -48.3 | -84.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 432 | F | 29.1 | Very low | 32.8 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | 53.8 | 171.3 | 167.3 | -58.9 | -98.2 | 0 | 0 | 0 | 117.1 | | |
| 433 | T | 27 | Very low | 32.2 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | cis | -151.4 | 160 | 9.9 | -34.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 434 | S | 34.7 | Very low | 32.1 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | | | trans | -98.9 | 136 | 167.6 | -50.2 | 0 | 0 | 0 | 0 | 112 | | |
| 435 | I | 28.8 | Very low | 31.9 | Very low | 173 Ų | 173 | 144 Ų | 144 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | | | trans | -156.5 | 170.9 | 160.7 | -133.3 | 166.5 | 0 | 0 | 0 | 114.4 | | |
| 436 | S | 29.2 | Very low | 31.8 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | | | trans | -102.8 | 164.2 | -148.3 | -46.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 437 | H | 31.4 | Very low | 32.1 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | | | trans | 89.9 | 121.6 | 133.5 | -91 | -141.5 | 0 | 0 | 0 | 124.2 | | |
| 438 | F | 33.9 | Very low | 32 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | | | | 79.7 | 133 | 127.9 | -91.5 | -117.5 | 0 | 0 | 0 | 124.5 | | |
| 439 | S | 29.8 | Very low | 32.1 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | trans | 70.3 | 153.7 | 139.9 | -83.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 440 | D | 31.8 | Very low | 33.5 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 58% | 0.583 | 75% | 0.748 | S | S | * | * | | | cis | -159.6 | 178.2 | 2 | -135.7 | -65.1 | 0 | 0 | 0 | 114.2 | | |
| 441 | H | 32.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | trans | 66.4 | 135.4 | 162.9 | -45.9 | -29.6 | 0 | 0 | 0 | 118.2 | | |
| 442 | Q | 34.3 | Very low | 33.6 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | cis | 86.7 | 113.3 | 19 | -62.4 | -70.5 | -1.5 | 0 | 0 | 118.3 | | |
| 443 | D | 32.9 | Very low | 33.5 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | 179.3 | 117.9 | 130.5 | -96.7 | -12.3 | 0 | 0 | 0 | 110.2 | | |
| 444 | L | 37.7 | Very low | 33.8 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | | | | 74.4 | 139.5 | 95.2 | -68.4 | -178 | 0 | 0 | 0 | 115.7 | | |
| 445 | L | 34.6 | Very low | 34.1 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | | | cis | -112.1 | -162.4 | 7.4 | -62.3 | 163.9 | 0 | 0 | 0 | 110.3 | | |
| 446 | S | 30.2 | Very low | 34.8 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | cis | -156.6 | -177.7 | 6.7 | -158.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 447 | L | 39.4 | Very low | 35.4 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | -135 | 174.3 | -165.3 | -106.6 | 77.3 | 0 | 0 | 0 | 116.5 | | |
| 448 | D | 27.4 | Very low | 35.7 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | trans | 87.6 | 138.8 | 153.2 | -134.4 | 42.2 | 0 | 0 | 0 | 118.5 | | |
| 449 | S | 36.9 | Very low | 35.5 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | cis | -156.8 | 173.9 | -6.4 | -131.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 450 | P | 61.1 | Low | 35.6 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | | | trans | -114.1 | 174.6 | -162.8 | 42.7 | -36.8 | 0 | 0 | 0 | 117.7 | | |
| 451 | S | 27.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | -177.7 | 172.8 | 140.5 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 452 | H | 34 | Very low | 36.6 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -94.4 | 155.4 | -166.7 | -46.6 | -106.6 | 0 | 0 | 0 | 115 | | |
| 453 | N | 28.4 | Very low | 36.5 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | | 165.5 | 154.3 | 107 | -90.8 | -62.7 | 0 | 0 | 0 | 116 | | |
| 454 | N | 31.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | | | trans | 51.5 | 118.7 | 152.5 | -66.1 | -36.1 | 0 | 0 | 0 | 121.8 | | |
| 455 | V | 41.1 | Very low | 36.3 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 90% | 0.903 | 76% | 0.76 | S | S | * | * | | | trans | -115.3 | 137.5 | 143.5 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 456 | L | 44.3 | Very low | 36 | Very low | 133 Ų | 133 | 135 Ų | 135 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | trans | -142.4 | 150.9 | -172.2 | -96.4 | 174.3 | 0 | 0 | 0 | 112.7 | | |
| 457 | L | 41.8 | Very low | 35.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | 68.1 | 119 | -175.9 | -72.5 | 67 | 0 | 0 | 0 | 113 | | |
| 458 | T | 37.4 | Very low | 35.6 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | | 64.9 | 140 | 54.3 | 78.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 459 | Q | 29.6 | Very low | 35.8 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | | | cis | -146 | 172.9 | 23.3 | -59.9 | 170.6 | 3.1 | 0 | 0 | 108.9 | | |
| 460 | S | 32.6 | Very low | 35.5 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | cis | -166.7 | 160.2 | -21.9 | 47.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 461 | D | 35.7 | Very low | 34.4 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | | | trans | -65.3 | 162.5 | 178.1 | -165 | 42.7 | 0 | 0 | 0 | 113.5 | L463 | D461-L463 VanDerWaalsContact CG-N 3.33Å; D461-L463 PolarHBondContact OD1-N 3.41Å; D461-L463 PolarHBondContact OD2-N 3.46Å |
| 462 | P | 49.9 | Very low | 34.6 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | | -144.2 | 137.3 | 95.1 | 37.7 | -22 | 0 | 0 | 0 | 117.3 | | |
| 463 | L | 31.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | | | trans | -61.6 | 151.1 | 161.6 | -145.9 | 80.5 | 0 | 0 | 0 | 114 | D461 | D461-L463 VanDerWaalsContact CG-N 3.33Å; D461-L463 PolarHBondContact OD1-N 3.41Å; D461-L463 PolarHBondContact OD2-N 3.46Å |
| 464 | M | 35.5 | Very low | 34.8 | Very low | 154 Ų | 154 | 131 Ų | 131 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | 83.2 | 122.8 | 135.8 | -156.8 | 153.1 | 61.3 | 0 | 0 | 123.2 | | |
| 465 | S | 31.3 | Very low | 34.8 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | 86.2 | 151.4 | 138.1 | -83.6 | 0 | 0 | 0 | 0 | 124.9 | | |
| 466 | Q | 29.5 | Very low | 34.3 | Very low | 185 Ų | 185 | 127.7 Ų | 127.7 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | | | trans | 68.2 | 100.6 | 163.5 | -73.1 | -168.5 | 92.6 | 0 | 0 | 121.1 | | |
| 467 | A | 28.3 | Very low | 33.8 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | | | | 46.8 | 146.1 | 106.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 468 | S | 31.6 | Very low | 33.6 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | 93.4 | 99.9 | 151.3 | -57.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 469 | T | 32.5 | Very low | 33.3 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | | | | 59.6 | 123.1 | 128.1 | 59.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 470 | A | 30.8 | Very low | 33.4 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | | 89.6 | 112.9 | 129.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 471 | I | 36.5 | Very low | 33.6 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | | 52.4 | 115.5 | 125.2 | -54.3 | 165.8 | 0 | 0 | 0 | 119.5 | | |
| 472 | A | 32.1 | Very low | 33.5 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | | -172.5 | 140.7 | 126.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 473 | L | 31.2 | Very low | 32.7 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | 47.8 | 126.3 | 144.4 | -87.6 | 69.6 | 0 | 0 | 0 | 121.4 | | |
| 474 | Q | 37.1 | Very low | 32.7 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | | 71.3 | 143.9 | 81.5 | -79 | -163.2 | 17.2 | 0 | 0 | 116.2 | | |
| 475 | N | 31.4 | Very low | 32.3 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | cis | -167.9 | 158.5 | -12.5 | -163.3 | -2.7 | 0 | 0 | 0 | 111.6 | | |
| 476 | S | 31.1 | Very low | 32.3 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 49% | 0.49 | 76% | 0.759 | S | S | . | * | | | trans | 47.7 | 123.4 | 148.4 | -170.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 477 | R | 32.6 | Very low | 33.5 | Very low | 229 Ų | 229 | 140.4 Ų | 140.4 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | | | | -136.9 | 108.6 | 125.2 | -64.9 | -165 | 179.4 | -156.1 | -0.5 | 108.4 | | |
| 478 | R | 37.1 | Very low | 33.6 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | | 73.8 | 125.6 | 82.8 | -74.3 | -171.1 | -169.4 | 93 | -1.6 | 114.2 | | |
| 479 | N | 30.7 | Very low | 33.6 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -152.6 | 129 | 174.9 | -149.5 | -2 | 0 | 0 | 0 | 111.1 | | |
| 480 | A | 33.4 | Very low | 33.5 | Very low | 89 Ų | 89 | 145.9 Ų | 145.9 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -176.2 | 153.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 481 | M | 35.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | cis | -158.4 | -169.9 | 2.7 | -148.7 | -156.4 | -81.8 | 0 | 0 | 110.2 | | |
| 482 | L | 34.8 | Very low | 33 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 87.7 | 148.7 | 167 | -51.6 | 172.1 | 0 | 0 | 0 | 117.9 | | |
| 483 | L | 33.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | cis | -171 | 159.2 | -32 | -171.6 | 58.6 | 0 | 0 | 0 | 109.8 | | |
| 484 | R | 30.3 | Very low | 32.8 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 89.2 | 149.1 | 165.7 | -50.5 | -66.9 | -171.5 | -158.2 | 2.1 | 116.7 | | |
| 485 | K | 28.1 | Very low | 32.5 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | cis | -174.5 | 135.3 | -22.1 | 172.8 | 166.6 | 179.5 | 179.9 | 0 | 111.2 | | |
| 486 | D | 31.4 | Very low | 32.4 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | trans | -83.4 | 168.9 | 174.4 | -41.4 | -87.4 | 0 | 0 | 0 | 114 | | |
| 487 | P | 53.2 | Low | 32.4 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | | -160.3 | 143.8 | 88.6 | 39 | -17.2 | 0 | 0 | 0 | 121 | | |
| 488 | M | 31.7 | Very low | 32.2 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | | 77.7 | 152.3 | 129.8 | -65.1 | -69 | 168.6 | 0 | 0 | 125.9 | | |
| 489 | M | 31.1 | Very low | 31.9 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | | | trans | 78.4 | 157.5 | 164.4 | -58.4 | -159.7 | -170 | 0 | 0 | 120.3 | | |
| 490 | A | 30.5 | Very low | 32 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | | | cis | -177.4 | 152.7 | -41.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 491 | N | 28.1 | Very low | 32 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 62 | 176.3 | 161.1 | -74.6 | -5.6 | 0 | 0 | 0 | 119.4 | | |
| 492 | L | 29.4 | Very low | 32.7 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | | -170.9 | 128.5 | -56.8 | -145 | 168.8 | 0 | 0 | 0 | 108.8 | | |
| 493 | S | 29.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | 63 | 165.4 | 167.2 | 75.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 494 | G | 29.1 | Very low | 32.3 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | 153.4 | 119.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 495 | V | 30.5 | Very low | 32.3 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 95% | 0.945 | 81% | 0.805 | S | S | * | * | | | trans | -117.7 | 129.5 | 176.7 | 166.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 496 | G | 29.8 | Very low | 32.5 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | trans | 109.1 | 156.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 497 | Q | 31 | Very low | 32.4 | Very low | 210 Ų | 210 | 129.9 Ų | 129.9 | 98% | 0.981 | 81% | 0.812 | S | S | * | * | | | trans | 78.5 | 159.7 | 157.5 | -58.2 | -169.9 | 95 | 0 | 0 | 119.3 | | |
| 498 | S | 29 | Very low | 31.4 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -131.1 | 154.7 | -161.1 | 53 | 0 | 0 | 0 | 0 | 111.7 | | |
| 499 | A | 30.8 | Very low | 32 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -162.7 | 150 | 157.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 500 | S | 31 | Very low | 32.3 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | 77.6 | 126.4 | 149.7 | -59.4 | 0 | 0 | 0 | 0 | 122 | | |
| 501 | V | 35 | Very low | 33.3 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | -110.2 | -179.3 | 164.2 | -155.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 502 | P | 49.7 | Very low | 33.4 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | | -155.6 | 128.7 | 100.8 | 35.9 | -15.6 | 0 | 0 | 0 | 118.5 | | |
| 503 | G | 29.6 | Very low | 33.7 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | 65.1 | -179.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 504 | W | 29.8 | Very low | 33.7 | Very low | 234 Ų | 234 | 129 Ų | 129 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | | | cis | -147.2 | 115.5 | -1 | 8.3 | -76.3 | 0 | 0 | 0 | 107.2 | | |
| 505 | Q | 30.2 | Very low | 33.7 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | | 90.7 | 140.5 | 76.3 | -169.7 | 164.6 | 14.3 | 0 | 0 | 115 | | |
| 506 | A | 32.3 | Very low | 33.6 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | 77.6 | 140.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 507 | G | 30.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | cis | -164 | 161 | -3.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 508 | L | 31 | Very low | 33.7 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -107.8 | 164.5 | 177.1 | -95.8 | 171.7 | 0 | 0 | 0 | 109.1 | | |
| 509 | P | 45.3 | Very low | 33.9 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | cis | -149.2 | -175.9 | 49.9 | 42.5 | -20.7 | 0 | 0 | 0 | 119.1 | | |
| 510 | T | 36.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | | | trans | -72.3 | -173.7 | 164.5 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 511 | P | 51 | Low | 33.9 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | cis | -145.4 | -177 | 14.7 | 44.9 | -23.9 | 0 | 0 | 0 | 119.2 | | |
| 512 | D | 31 | Very low | 33.7 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -0.7 | 143.5 | 148.5 | -41.3 | -50.1 | 0 | 0 | 0 | 120.4 | | |
| 513 | N | 34.9 | Very low | 33.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | 156.7 | 157.6 | 94.9 | -159 | 34.8 | 0 | 0 | 0 | 115 | | |
| 514 | D | 30.9 | Very low | 35 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -19.8 | 173 | 170.5 | -127.8 | -59.6 | 0 | 0 | 0 | 123.3 | | |
| 515 | G | 29.1 | Very low | 35.1 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 179.3 | -37.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 516 | G | 27.9 | Very low | 35.1 | Very low | 82 Ų | 82 | 124 Ų | 124 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | 68.6 | 169.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 517 | G | 29.7 | Very low | 34.9 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 170.8 | 70.2 | -179 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 518 | H | 33.3 | Very low | 34.7 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | | | trans | 37 | 113.7 | 148.7 | -81.7 | -107.8 | 0 | 0 | 0 | 124.2 | | |
| 519 | A | 33.6 | Very low | 35.6 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | | 60.9 | 106.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 520 | N | 28.3 | Very low | 34.7 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | 57.7 | 107.2 | 121.5 | -175.2 | 36.2 | 0 | 0 | 0 | 121.4 | | |
| 521 | S | 32.4 | Very low | 34.6 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -155.2 | 147.6 | 130.8 | 52.1 | 0 | 0 | 0 | 0 | 114 | | |
| 522 | K | 31.5 | Very low | 33.5 | Very low | 193 Ų | 193 | 132 Ų | 132 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | -121.3 | 176.3 | 173.5 | -121.3 | -175.4 | 179.7 | 177.9 | 0 | 106.4 | | |
| 523 | P | 46.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | | | cis | -130.3 | -120.3 | -8.1 | 26.4 | 1.4 | 0 | 0 | 0 | 113.3 | | |
| 524 | P | 60.4 | Low | 33.3 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | | | | -132.7 | -169.5 | -115.9 | 42.9 | -23 | 0 | 0 | 0 | 116.2 | | |
| 525 | H | 30.9 | Very low | 33.2 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | | 149.9 | 115.1 | 109.4 | -153.7 | -123.7 | 0 | 0 | 0 | 116.9 | | |
| 526 | L | 29.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 64% | 0.644 | 78% | 0.784 | S | S | * | * | | | trans | 52.2 | 139.7 | 146.3 | -67.9 | -168.1 | 0 | 0 | 0 | 126.4 | | |
| 527 | K | 27.8 | Very low | 33.5 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | | | trans | 76.9 | 108.5 | 139.1 | -79.8 | 178.4 | 175.6 | -176 | 0 | 122.2 | | |
| 528 | S | 26.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | 60.4 | 154 | 108.3 | -128.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 529 | P | 49.4 | Very low | 33.8 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | cis | -133.4 | 170.2 | -42 | 33.9 | -17.4 | 0 | 0 | 0 | 114.5 | | |
| 530 | G | 28 | Very low | 34 | Very low | 68 Ų | 68 | 146.4 Ų | 146.4 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | 89.2 | 146.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 531 | K | 34.3 | Very low | 35 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | | | trans | -173 | 146.6 | 149.3 | -97.9 | 141.5 | -167.7 | 174.4 | 0 | 110.1 | | |
| 532 | N | 28.3 | Very low | 35.4 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | | | trans | -94.5 | 171.3 | 175 | -73.9 | -12.1 | 0 | 0 | 0 | 111.6 | | |
| 533 | A | 30.2 | Very low | 36.1 | Very low | 83 Ų | 83 | 143.5 Ų | 143.5 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | 91.7 | 120.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 534 | T | 31.3 | Very low | 36.1 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | 55.7 | 131.3 | 139.6 | 57.8 | 0 | 0 | 0 | 0 | 119 | | |
| 535 | M | 29.2 | Very low | 35.6 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | cis | -132.9 | 143.3 | 31 | -67.9 | 179.9 | 172.1 | 0 | 0 | 110.6 | | |
| 536 | Q | 32.6 | Very low | 36.4 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | | 49.2 | 96.8 | 78.6 | -75.8 | -164.4 | 12.7 | 0 | 0 | 114.7 | | |
| 537 | D | 29.6 | Very low | 37.5 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | | | trans | -128.6 | 156.5 | 137.4 | -157.2 | -11.9 | 0 | 0 | 0 | 107.8 | | |
| 538 | R | 32.8 | Very low | 38.3 | Very low | 215 Ų | 215 | 141.2 Ų | 141.2 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -135.7 | 91.7 | -146.5 | -169 | -177.3 | -166.5 | 165.5 | 2.1 | 113.1 | | |
| 539 | F | 35.7 | Very low | 39.3 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | trans | -68 | 143.4 | 163.9 | -80 | -88.3 | 0 | 0 | 0 | 110.9 | G541 | F539-G541 PolarHBondContact O-N 2.79Š|
| 540 | P | 38.7 | Very low | 39 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -73.8 | 107.5 | 171.8 | 30.1 | -32 | 0 | 0 | 0 | 109.5 | | |
| 541 | G | 50.2 | Low | 39.9 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | trans | -77.3 | 127.2 | 151 | 0 | 0 | 0 | 0 | 0 | 107.9 | F539 | F539-G541 PolarHBondContact O-N 2.79Š|
| 542 | D | 40.9 | Very low | 40.8 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | | | trans | 171.3 | 83.3 | 150.3 | -84.2 | -14.9 | 0 | 0 | 0 | 107.4 | | |
| 543 | L | 44.4 | Very low | 42 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 92% | 0.916 | 72% | 0.717 | S | S | * | * | | | trans | -120.7 | 102.4 | 157 | -96.3 | 173.9 | 0 | 0 | 0 | 106.1 | L545 | L543-L545 PolarHBondContact O-N 3.06Š|
| 544 | D | 47.8 | Very low | 42.9 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | | | trans | -71.2 | 120.1 | -168.7 | -155.4 | -7.5 | 0 | 0 | 0 | 110.5 | D546 V547 | D544-D546 VanDerWaalsContact C-N 3.3Å; D544-V547 HydrophobicContact CB-CG2 4.39Å |
| 545 | L | 50.6 | Low | 44 | Very low | 144 Ų | 144 | 136 Ų | 136 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -77 | -20.6 | -176.1 | -88.3 | 163.9 | 0 | 0 | 0 | 112.3 | L543 V547 F548 | L543-L545 PolarHBondContact O-N 3.06Å; L545-V547 PolarHBondContact O-N 3.22Å; L545-F548 PolarHBondContact O-N 2.93Å |
| 546 | D | 46.6 | Very low | 45.6 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -25.7 | -174.9 | -67.1 | -11.7 | 0 | 0 | 0 | 112.1 | D544 F548 N549 D550 | D544-D546 VanDerWaalsContact C-N 3.3Å; D546-F548 PolarHBondContact O-N 3.04Å; D546-F548 VanDerWaalsContact O-N 3.09Å; D546-N549 PolarHBondContact O-N 3.15Å; D546-D550 PolarHBondContact O-N 2.81Å |
| 547 | V | 52.6 | Low | 46.8 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -55.7 | -27.2 | 174.7 | 173.3 | 0 | 0 | 0 | 0 | 113.3 | D544 L545 | D544-V547 HydrophobicContact CB-CG2 4.39Å; L545-V547 PolarHBondContact O-N 3.22Å |
| 548 | F | 45.6 | Very low | 48.3 | Very low | 166 Ų | 166 | 124.2 Ų | 124.2 | 73% | 0.728 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -92.7 | -5.7 | -179.1 | -77.1 | -81 | 0 | 0 | 0 | 114.7 | L545 D546 | L545-F548 PolarHBondContact O-N 2.93Å; D546-F548 PolarHBondContact O-N 3.04Å; D546-F548 VanDerWaalsContact O-N 3.09Å |
| 549 | N | 46.2 | Very low | 49.6 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 60% | 0.599 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -96.1 | -45.4 | 173.4 | -105.4 | -6.2 | 0 | 0 | 0 | 112 | D546 S551 L552 | D546-N549 PolarHBondContact O-N 3.15Å; N549-S551 PolarHBondContact O-N 3.4Å; N549-S551 VanDerWaalsContact O-N 3.17Å; N549-L552 PolarHBondContact O-N 3.02Å |
| 550 | D | 43.7 | Very low | 51 | Low | 94 Ų | 94 | 113 Ų | 113 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -55.8 | -37.3 | -176.2 | -149.5 | -51.5 | 0 | 0 | 0 | 111.7 | D546 L552 E553 Y554 | D546-D550 PolarHBondContact O-N 2.81Å; D550-L552 VanDerWaalsContact C-N 3.25Å; D550-L552 PolarHBondContact O-N 3.16Å; D550-E553 WeakPolarHBondContact O-CG 3.38Å; D550-E553 PolarHBondContact O-N 3.06Å; D550-Y554 PolarHBondContact O-N 3.06Å |
| 551 | S | 47.5 | Very low | 51.9 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 60% | 0.601 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.4 | -11.9 | 177.8 | -169.6 | 0 | 0 | 0 | 0 | 115.1 | N549 | N549-S551 PolarHBondContact O-N 3.4Å; N549-S551 VanDerWaalsContact O-N 3.17Å |
| 552 | L | 53.4 | Low | 52.2 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 60% | 0.597 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -95.2 | -31.8 | 176.6 | -79.8 | 167.9 | 0 | 0 | 0 | 112.6 | N549 D550 M556 | N549-L552 PolarHBondContact O-N 3.02Å; D550-L552 VanDerWaalsContact C-N 3.25Å; D550-L552 PolarHBondContact O-N 3.16Å; L552-M556 PolarHBondContact O-N 2.66Å |
| 553 | E | 52.9 | Low | 52.9 | Low | 115 Ų | 115 | 113 Ų | 113 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74 | -38.9 | 173.9 | 53.4 | -166.1 | 142.2 | 0 | 0 | 111.7 | D550 D555 M556 D557 | D550-E553 WeakPolarHBondContact O-CG 3.38Å; D550-E553 PolarHBondContact O-N 3.06Å; E553-D555 VanDerWaalsContact C-N 3.28Å; E553-D555 PolarHBondContact O-N 3.11Å; E553-M556 PolarHBondContact O-N 3.07Å; E553-D557 PolarHBondContact O-N 3.09Å; E553-D557 VanDerWaalsContact O-N 3.09Å |
| 554 | Y | 49.6 | Very low | 53.4 | Low | 161 Ų | 161 | 110.1 Ų | 110.1 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -31.9 | 172.5 | -120 | -85.4 | 0 | 0 | 0 | 113.6 | D550 S558 | D550-Y554 PolarHBondContact O-N 3.06Å; Y554-S558 WeakPolarHBondContact O-CB 3.48Å; Y554-S558 PolarHBondContact O-N 3.35Å |
| 555 | D | 53.8 | Low | 53.9 | Low | 84 Ų | 84 | 111.1 Ų | 111.1 | 45% | 0.449 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -76.7 | -38.6 | 178.6 | -163.2 | 41.5 | 0 | 0 | 0 | 111.8 | E553 D557 S558 I559 | E553-D555 VanDerWaalsContact C-N 3.28Å; E553-D555 PolarHBondContact O-N 3.11Å; D555-D557 VanDerWaalsContact C-N 3.34Å; D555-D557 PolarHBondContact O-N 3.34Å; D555-S558 WeakPolarHBondContact O-CA 3.25Å; D555-S558 WeakPolarHBondContact O-CB 3.26Å; D555-S558 PolarHBondContact O-N 3.16Å; D555-S558 VanDerWaalsContact O-N 3.12Å; D555-I559 WeakPolarHBondContact O-CB 3.36Å; D555-I559 WeakPolarHBondContact O-CD1 3.32Å; D555-I559 VanDerWaalsContact O-CG1 3.25Å; D555-I559 WeakPolarHBondContact O-CG1 3.18Å; D555-I559 PolarHBondContact O-N 3.09Å |
| 556 | M | 61.8 | Low | 53.9 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 62% | 0.616 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.6 | -43.5 | 170.2 | -73.6 | -152.9 | -57 | 0 | 0 | 112 | L552 E553 S558 I559 I560 | L552-M556 PolarHBondContact O-N 2.66Å; E553-M556 PolarHBondContact O-N 3.07Å; M556-S558 VanDerWaalsContact C-N 3.26Å; M556-S558 PolarHBondContact O-N 3.47Å; M556-I559 PolarHBondContact O-N 3.07Å; M556-I560 WeakPolarHBondContact O-CB 3.39Å; M556-I560 WeakPolarHBondContact O-CD1 3.37Å; M556-I560 VanDerWaalsContact O-CG1 3.22Å; M556-I560 WeakPolarHBondContact O-CG1 3.04Å; M556-I560 PolarHBondContact O-N 3.21Å |
| 557 | D | 58.1 | Low | 54.1 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 46% | 0.46 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.8 | -28 | 175.5 | -108.4 | 13.2 | 0 | 0 | 0 | 112.2 | E553 D555 R561 | E553-D557 PolarHBondContact O-N 3.09Å; E553-D557 VanDerWaalsContact O-N 3.09Å; D555-D557 VanDerWaalsContact C-N 3.34Å; D555-D557 PolarHBondContact O-N 3.34Å; D557-R561 WeakPolarHBondContact O-CB 3.35Å; D557-R561 VanDerWaalsContact O-CG 3.26Å; D557-R561 WeakPolarHBondContact O-CG 3.4Å; D557-R561 PolarHBondContact O-N 2.77Å; D557-R561 PolarHBondContact O-NE 3.46Å; D557-R561 PolarHBondContact O-NH2 3.36Å |
| 558 | S | 61 | Low | 53.8 | Low | 58 Ų | 58 | 110 Ų | 110 | 41% | 0.406 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.7 | -52.3 | 170.7 | -165.7 | 0 | 0 | 0 | 0 | 111.3 | Y554 D555 M556 I560 R561 N562 | Y554-S558 WeakPolarHBondContact O-CB 3.48Å; Y554-S558 PolarHBondContact O-N 3.35Å; D555-S558 WeakPolarHBondContact O-CA 3.25Å; D555-S558 WeakPolarHBondContact O-CB 3.26Å; D555-S558 PolarHBondContact O-N 3.16Å; D555-S558 VanDerWaalsContact O-N 3.12Å; M556-S558 VanDerWaalsContact C-N 3.26Å; M556-S558 PolarHBondContact O-N 3.47Å; S558-I560 PolarHBondContact O-N 3.21Å; S558-R561 PolarHBondContact O-N 3.24Å; S558-N562 WeakPolarHBondContact O-CB 3.34Å; S558-N562 PolarHBondContact O-N 3.47Å |
| 559 | I | 61.7 | Low | 53.8 | Low | 83 Ų | 83 | 107.6 Ų | 107.6 | 43% | 0.426 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.8 | -47.5 | 178.7 | -68.4 | 161.7 | 0 | 0 | 0 | 110.8 | D555 M556 R561 N562 E563 | D555-I559 WeakPolarHBondContact O-CB 3.36Å; D555-I559 WeakPolarHBondContact O-CD1 3.32Å; D555-I559 VanDerWaalsContact O-CG1 3.25Å; D555-I559 WeakPolarHBondContact O-CG1 3.18Å; D555-I559 PolarHBondContact O-N 3.09Å; M556-I559 PolarHBondContact O-N 3.07Å; I559-R561 PolarHBondContact O-N 3.48Å; I559-N562 PolarHBondContact O-N 2.86Å; I559-E563 PolarHBondContact O-N 3.09Å |
| 560 | I | 64 | Low | 53.9 | Low | 96 Ų | 96 | 109.2 Ų | 109.2 | 49% | 0.492 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -43.5 | 178.4 | -69.5 | 165.5 | 0 | 0 | 0 | 110.9 | M556 S558 L564 | M556-I560 WeakPolarHBondContact O-CB 3.39Å; M556-I560 WeakPolarHBondContact O-CD1 3.37Å; M556-I560 VanDerWaalsContact O-CG1 3.22Å; M556-I560 WeakPolarHBondContact O-CG1 3.04Å; M556-I560 PolarHBondContact O-N 3.21Å; S558-I560 PolarHBondContact O-N 3.21Å; I560-L564 WeakPolarHBondContact O-CB 3.47Å; I560-L564 PolarHBondContact O-N 2.8Å; I560-L564 VanDerWaalsContact O-N 3.09Å |
| 561 | R | 57.8 | Low | 53.7 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 44% | 0.442 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.3 | -32.9 | 178.1 | -74.5 | 177.6 | -66.1 | -147.9 | 2.7 | 112.4 | D557 S558 I559 M565 | D557-R561 WeakPolarHBondContact O-CB 3.35Å; D557-R561 VanDerWaalsContact O-CG 3.26Å; D557-R561 WeakPolarHBondContact O-CG 3.4Å; D557-R561 PolarHBondContact O-N 2.77Å; D557-R561 PolarHBondContact O-NE 3.46Å; D557-R561 PolarHBondContact O-NH2 3.36Å; S558-R561 PolarHBondContact O-N 3.24Å; I559-R561 PolarHBondContact O-N 3.48Å; R561-M565 HydrophobicContact CB-CE 4.4Å; R561-M565 WeakPolarHBondContact O-CB 3.42Å; R561-M565 WeakPolarHBondContact O-CE 3.46Å; R561-M565 WeakPolarHBondContact O-CG 3.33Å; R561-M565 PolarHBondContact O-N 3.04Å; R561-M565 VanDerWaalsContact O-N 3.09Å |
| 562 | N | 55.3 | Low | 53.3 | Low | 86 Ų | 86 | 113.7 Ų | 113.7 | 46% | 0.46 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.7 | -49.9 | -179.8 | -154.5 | 92 | 0 | 0 | 0 | 112.1 | S558 I559 L564 M565 E566 | S558-N562 WeakPolarHBondContact O-CB 3.34Å; S558-N562 PolarHBondContact O-N 3.47Å; I559-N562 PolarHBondContact O-N 2.86Å; N562-L564 VanDerWaalsContact C-N 3.27Å; N562-L564 PolarHBondContact O-N 2.96Å; N562-M565 PolarHBondContact O-N 3.23Å; N562-E566 PolarHBondContact ND2-OE1 3.23Å; N562-E566 WeakPolarHBondContact O-CB 3.33Å; N562-E566 WeakPolarHBondContact O-CG 3.44Å; N562-E566 PolarHBondContact O-N 3.07Å; N562-E566 VanDerWaalsContact O-N 3.07Å |
| 563 | E | 57.6 | Low | 52.6 | Low | 150 Ų | 150 | 112.6 Ų | 112.6 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.2 | -31.5 | 175.5 | -73.4 | -159.6 | 141.1 | 0 | 0 | 112.6 | I559 | I559-E563 PolarHBondContact O-N 3.09Å |
| 564 | L | 54.5 | Low | 51.8 | Low | 115 Ų | 115 | 115.9 Ų | 115.9 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.6 | -40.9 | 179.1 | -171.4 | 60.6 | 0 | 0 | 0 | 112.9 | I560 N562 A567 | I560-L564 WeakPolarHBondContact O-CB 3.47Å; I560-L564 PolarHBondContact O-N 2.8Å; I560-L564 VanDerWaalsContact O-N 3.09Å; N562-L564 VanDerWaalsContact C-N 3.27Å; N562-L564 PolarHBondContact O-N 2.96Å; L564-A567 WeakPolarHBondContact O-CB 3.27Å; L564-A567 PolarHBondContact O-N 2.6Å |
| 565 | M | 57.4 | Low | 50.9 | Low | 131 Ų | 131 | 113 Ų | 113 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.3 | -22.6 | 178.5 | -69.8 | -168.7 | -61.3 | 0 | 0 | 113.4 | R561 N562 A567 | R561-M565 HydrophobicContact CB-CE 4.4Å; R561-M565 WeakPolarHBondContact O-CB 3.42Å; R561-M565 WeakPolarHBondContact O-CE 3.46Å; R561-M565 WeakPolarHBondContact O-CG 3.33Å; R561-M565 PolarHBondContact O-N 3.04Å; R561-M565 VanDerWaalsContact O-N 3.09Å; N562-M565 PolarHBondContact O-N 3.23Å; M565-A567 PolarHBondContact O-N 2.85Å |
| 566 | E | 51.1 | Low | 50.2 | Low | 135 Ų | 135 | 114.4 Ų | 114.4 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -16 | 171.9 | -73.7 | -180 | -176.6 | 0 | 0 | 113 | N562 | N562-E566 PolarHBondContact ND2-OE1 3.23Å; N562-E566 WeakPolarHBondContact O-CB 3.33Å; N562-E566 WeakPolarHBondContact O-CG 3.44Å; N562-E566 PolarHBondContact O-N 3.07Å; N562-E566 VanDerWaalsContact O-N 3.07Å |
| 567 | A | 50 | Low | 48.7 | Very low | 54 Ų | 54 | 117.9 Ų | 117.9 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -77.6 | -28.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L564 M565 C569 L570 | L564-A567 WeakPolarHBondContact O-CB 3.27Å; L564-A567 PolarHBondContact O-N 2.6Å; M565-A567 PolarHBondContact O-N 2.85Å; A567-C569 PolarHBondContact O-N 3.41Å; A567-L570 PolarHBondContact O-N 3.37Å |
| 568 | D | 46.2 | Very low | 47.7 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -77.7 | 0.1 | -173.6 | -80.2 | -20.5 | 0 | 0 | 0 | 114.4 | | |
| 569 | C | 46.9 | Very low | 46.3 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -94 | 4.6 | 174.6 | -79.1 | 0 | 0 | 0 | 0 | 114.4 | A567 D571 | A567-C569 PolarHBondContact O-N 3.41Å; C569-D571 PolarHBondContact O-N 2.93Å |
| 570 | L | 48.3 | Very low | 44.9 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | | | trans | -84.2 | 92.2 | 173.1 | -67.5 | -176.3 | 0 | 0 | 0 | 111.3 | A567 L572 | A567-L570 PolarHBondContact O-N 3.37Å; L570-L572 PolarHBondContact O-N 3.07Å |
| 571 | D | 38.7 | Very low | 43.3 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 69% | 0.69 | 67% | 0.672 | S | S | * | * | | | trans | -50.3 | 109.4 | 173.1 | 174.1 | 44.1 | 0 | 0 | 0 | 112.3 | C569 S573 | C569-D571 PolarHBondContact O-N 2.93Å; D571-S573 PolarHBondContact O-N 2.79Å; D571-S573 VanDerWaalsContact OD2-CB 3.27Å; D571-S573 WeakPolarHBondContact OD2-CB 3.48Å; D571-S573 PolarHBondContact OD2-OG 2.67Å |
| 572 | L | 39.2 | Very low | 41.9 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | | | trans | -81.3 | 60.2 | 173.9 | -74.7 | 175.8 | 0 | 0 | 0 | 111.4 | L570 F574 | L570-L572 PolarHBondContact O-N 3.07Å; L572-F574 PolarHBondContact O-N 3.46Å |
| 573 | S | 39.6 | Very low | 40.9 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | trans | -64.4 | 79 | 168 | -88.7 | 0 | 0 | 0 | 0 | 111.5 | D571 D575 | D571-S573 PolarHBondContact O-N 2.79Å; D571-S573 VanDerWaalsContact OD2-CB 3.27Å; D571-S573 WeakPolarHBondContact OD2-CB 3.48Å; D571-S573 PolarHBondContact OD2-OG 2.67Å; S573-D575 PolarHBondContact O-N 3.32Å |
| 574 | F | 34.7 | Very low | 39.7 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | | | trans | -77 | 61.3 | 179.9 | -122.3 | -80.3 | 0 | 0 | 0 | 112.1 | L572 V576 | L572-F574 PolarHBondContact O-N 3.46Å; F574-V576 PolarHBondContact O-N 2.97Å |
| 575 | D | 32.2 | Very low | 38.6 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 54% | 0.54 | 72% | 0.718 | S | S | . | * | | | trans | -84.5 | 103.1 | 176.1 | -165.5 | -10.9 | 0 | 0 | 0 | 111.1 | S573 R577 | S573-D575 PolarHBondContact O-N 3.32Å; D575-R577 VanDerWaalsContact CG-NH1 3.26Å; D575-R577 PolarHBondContact O-N 3.23Å; D575-R577 VanDerWaalsContact O-N 3.07Å; D575-R577 IonicContact OD1-CZ 3.13Å; D575-R577 IonicContact OD1-NH1 2.67Å; D575-R577 IonicContact OD1-NH2 2.79Å; D575-R577 IonicContact OD2-CZ 2.89Å; D575-R577 IonicContact OD2-NH1 3.84Å; D575-R577 PolarHBondContact OD2-NH1 2.87Å; D575-R577 IonicContact OD2-NH2 3.99Å; D575-R577 PolarHBondContact OD2-NH2 2.83Å |
| 576 | V | 37.4 | Very low | 37.3 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | | | trans | -73.4 | 96.7 | 179.7 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | F574 | F574-V576 PolarHBondContact O-N 2.97Š|
| 577 | R | 31.5 | Very low | 36.3 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | | | trans | -96.6 | 95.5 | 163.6 | -71.2 | -162.9 | 173.1 | 66.4 | 25.8 | 112 | D575 | D575-R577 VanDerWaalsContact CG-NH1 3.26Å; D575-R577 PolarHBondContact O-N 3.23Å; D575-R577 VanDerWaalsContact O-N 3.07Å; D575-R577 IonicContact OD1-CZ 3.13Å; D575-R577 IonicContact OD1-NH1 2.67Å; D575-R577 IonicContact OD1-NH2 2.79Å; D575-R577 IonicContact OD2-CZ 2.89Å; D575-R577 IonicContact OD2-NH1 3.84Å; D575-R577 PolarHBondContact OD2-NH1 2.87Å; D575-R577 IonicContact OD2-NH2 3.99Å; D575-R577 PolarHBondContact OD2-NH2 2.83Å |
| 578 | L | 35.6 | Very low | 35.4 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | -58 | 149.4 | 151 | -76.2 | 160.8 | 0 | 0 | 0 | 109.8 | | |
| 579 | D | 32.7 | Very low | 34.6 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | | | trans | -65.8 | 132.6 | 170.8 | -179.1 | 22.2 | 0 | 0 | 0 | 110.5 | | |
| 580 | S | 31.5 | Very low | 33.9 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | -165.4 | 86.8 | 177.5 | -76.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 581 | T | 31.5 | Very low | 33 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | 33.7 | 113.6 | 143.4 | 57.4 | 0 | 0 | 0 | 0 | 119.1 | T583 | T581-T583 PolarHBondContact O-N 2.96Š|
| 582 | S | 28.7 | Very low | 32.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | | | trans | -54.5 | 125.6 | 162.1 | 179.5 | 0 | 0 | 0 | 0 | 112 | | |
| 583 | T | 32.9 | Very low | 32.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | | | trans | -142.4 | 164.2 | 160.7 | 18.3 | 0 | 0 | 0 | 0 | 111.2 | T581 | T581-T583 PolarHBondContact O-N 2.96Š|
| 584 | Q | 32.3 | Very low | 32 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -96.4 | 164.7 | -150 | -145.9 | -169.4 | 27.7 | 0 | 0 | 114.5 | | |
| 585 | N | 31.4 | Very low | 31.8 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | 72.4 | 134.1 | 158 | -55.3 | -40.9 | 0 | 0 | 0 | 118.1 | | |
| 586 | G | 29.9 | Very low | 31.9 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -121.6 | 153.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 587 | N | 30.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -159.9 | 136 | 161.9 | -139.7 | -6.7 | 0 | 0 | 0 | 112 | | |
| 588 | R | 31.8 | Very low | 32 | Very low | 216 Ų | 216 | 136.6 Ų | 136.6 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | | | trans | 48.6 | 114 | 145.9 | -73.2 | 162.8 | -160.6 | -134.6 | -3.3 | 121.2 | | |
| 589 | N | 28.9 | Very low | 32 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | | 94.3 | 141.3 | 112.3 | -168.7 | 51.5 | 0 | 0 | 0 | 120.1 | | |
| 590 | S | 32.5 | Very low | 31.9 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | 62.5 | 142.1 | 172.7 | 63.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 591 | G | 30.1 | Very low | 32.7 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | cis | -178.4 | 165.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 592 | S | 30.4 | Very low | 32.9 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | | | trans | 34.2 | 110 | 166.2 | -62.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 593 | F | 30.9 | Very low | 33.2 | Very low | 208 Ų | 208 | 139.4 Ų | 139.4 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | | | trans | -60.4 | 136.1 | 151.1 | -140.7 | -93.5 | 0 | 0 | 0 | 111.2 | | |
| 594 | S | 33.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | 165.3 | 137.8 | 146.8 | -81.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 595 | G | 30.2 | Very low | 33.1 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | 139.3 | 77.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 596 | A | 35.6 | Very low | 34.2 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -81.6 | 148.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 597 | K | 34.4 | Very low | 34.9 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | | | trans | -164.8 | 142.3 | 148.2 | -112.8 | 159.9 | -172 | 177 | 0 | 113.5 | | |
| 598 | Q | 36.6 | Very low | 35.1 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 85% | 0.85 | S | S | * | * | | | trans | -84.8 | 148.5 | 165.9 | -58.7 | 162.6 | -40 | 0 | 0 | 109.8 | | |
| 599 | T | 35 | Very low | 35.3 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 90% | 0.896 | 85% | 0.851 | S | S | * | * | | | trans | -142.6 | 150.5 | 151.3 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 600 | S | 31 | Very low | 35.7 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 86% | 0.855 | S | S | * | * | | | trans | -84.5 | 169.9 | 179.9 | -115.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 601 | P | 48 | Very low | 35.8 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 86% | 0.86 | S | S | * | * | | | trans | -86.4 | 163.7 | -165 | 35.6 | -37.4 | 0 | 0 | 0 | 114 | | |
| 602 | Q | 35.1 | Very low | 36.2 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 94% | 0.939 | 87% | 0.868 | S | S | * | * | | | trans | -142.4 | 147.3 | 156.7 | -124.3 | 175.1 | 10.8 | 0 | 0 | 113.6 | | |
| 603 | N | 35.9 | Very low | 36.6 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 65% | 0.647 | 87% | 0.866 | S | S | * | * | | | trans | -78.7 | 160.9 | -171.8 | -172.3 | 27.6 | 0 | 0 | 0 | 112.8 | | |
| 604 | W | 33.1 | Very low | 37 | Very low | 223 Ų | 223 | 147.1 Ų | 147.1 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | | | | 163.2 | 165.1 | 125.9 | -90.6 | 98.1 | 0 | 0 | 0 | 112.6 | | |
| 605 | V | 30.8 | Very low | 37.2 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 70% | 0.697 | 86% | 0.864 | S | S | * | * | | | trans | -92.7 | 146.9 | -161.3 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 606 | P | 54.4 | Low | 37.8 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 77% | 0.773 | 87% | 0.865 | S | S | * | * | | | trans | -79.9 | 156.2 | 172.9 | -6.8 | 24.9 | 0 | 0 | 0 | 113.8 | | |
| 607 | S | 43.8 | Very low | 38 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 100% | 1.399 | 87% | 0.87 | S | S | * | * | | | trans | -118 | 0 | 162.7 | -63.7 | 0 | 0 | 0 | 0 | 110 | | |