| 1 | M | 51.2 | Low | 73.8 | Confident | 248 Ų | 248 | 160.5 Ų | 160.5 | 100% | 1.222 | 82% | 0.822 | S | S | * | * | | | | 0 | 109.8 | 0 | -68.4 | -159.5 | 154.1 | 0 | 0 | 108.8 | | |
| 2 | S | 56 | Low | 74.4 | Confident | 122 Ų | 122 | 162.1 Ų | 162.1 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 128.9 | 178.8 | 38.9 | 0 | 0 | 0 | 0 | 110 | | |
| 3 | R | 68.1 | Low | 75.1 | Confident | 232 Ų | 232 | 163.8 Ų | 163.8 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 140.3 | 176.2 | -67.1 | -176.4 | -180 | -159.2 | -0.7 | 109.6 | K5 | R3-K5 PolarHBondContact O-N 3.38Š|
| 4 | P | 67.5 | Low | 75.6 | Confident | 121 Ų | 121 | 157.4 Ų | 157.4 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 130.2 | 173.3 | 24.1 | -31.2 | 0 | 0 | 0 | 109.1 | K6 | P4-K6 PolarHBondContact O-N 3.44Å; P4-K6 VanDerWaalsContact O-N 3.13Å |
| 5 | K | 75.2 | Confident | 76.2 | Confident | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 117.9 | 174.1 | -69.4 | -179 | 177.2 | 178.5 | 0 | 107 | R3 D7 | R3-K5 PolarHBondContact O-N 3.38Å; K5-D7 PolarHBondContact O-N 3.32Å |
| 6 | K | 79.8 | Confident | 76.5 | Confident | 202 Ų | 202 | 151.8 Ų | 151.8 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 127.4 | 169.9 | -69 | 177.6 | 178.4 | -177.4 | 0 | 106.7 | P4 | P4-K6 PolarHBondContact O-N 3.44Å; P4-K6 VanDerWaalsContact O-N 3.13Å |
| 7 | D | 77.5 | Confident | 76.7 | Confident | 159 Ų | 159 | 148.8 Ų | 148.8 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 142.2 | 174.1 | -84.1 | -34.5 | 0 | 0 | 0 | 110 | K5 | K5-D7 PolarHBondContact O-N 3.32Š|
| 8 | A | 81 | Confident | 76.5 | Confident | 78 Ų | 78 | 149.8 Ų | 149.8 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V10 | A8-V10 PolarHBondContact O-N 3.3Å; A8-V10 VanDerWaalsContact O-N 3.16Å |
| 9 | P | 83 | Confident | 76.2 | Confident | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.4 | 177.2 | 23.7 | -32.2 | 0 | 0 | 0 | 110.2 | | |
| 10 | V | 83.7 | Confident | 75.6 | Confident | 86 Ų | 86 | 144 Ų | 144 | 52% | 0.521 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 131.6 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | A8 D14 L15 | A8-V10 PolarHBondContact O-N 3.3Å; A8-V10 VanDerWaalsContact O-N 3.16Å; V10-D14 HydrophobicContact CG1-CB 4.21Å; V10-L15 HydrophobicContact CG1-CD2 4.05Å; V10-L15 HydrophobicContact CG1-CG 3.94Å |
| 11 | R | 88.8 | Confident | 74.9 | Confident | 185 Ų | 185 | 143.7 Ų | 143.7 | 70% | 0.698 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 141.7 | 178.1 | -60.1 | 178.2 | 67 | 86.9 | -1.6 | 109.4 | R13 D14 L15 | R11-R13 PolarHBondContact O-N 3.37Å; R11-R13 VanDerWaalsContact O-N 3.11Å; R11-D14 WeakPolarHBondContact O-CB 3.44Å; R11-D14 PolarHBondContact O-N 3.31Å; R11-L15 PolarHBondContact O-N 3.33Å |
| 12 | F | 80.6 | Confident | 75.3 | Confident | 180 Ų | 180 | 134.1 Ų | 134.1 | 79% | 0.789 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -55 | -31.3 | 177 | -84.6 | -80.9 | 0 | 0 | 0 | 113.8 | D14 L15 Y16 | F12-D14 VanDerWaalsContact C-N 3.32Å; F12-D14 PolarHBondContact O-N 3.38Å; F12-L15 PolarHBondContact O-N 3.15Å; F12-Y16 PolarHBondContact O-N 3.45Å |
| 13 | R | 83.3 | Confident | 75.3 | Confident | 184 Ų | 184 | 135 Ų | 135 | 69% | 0.694 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60.8 | -42.7 | 176.5 | -167.8 | 127 | -177.8 | 164.3 | -2.3 | 111.6 | R11 L15 Y16 E17 | R11-R13 PolarHBondContact O-N 3.37Å; R11-R13 VanDerWaalsContact O-N 3.11Å; R13-L15 VanDerWaalsContact C-N 3.31Å; R13-L15 PolarHBondContact O-N 3.43Å; R13-Y16 PolarHBondContact O-N 3.21Å; R13-E17 IonicContact NE-OE1 3.65Å; R13-E17 WeakPolarHBondContact O-CG 3.46Å; R13-E17 PolarHBondContact O-N 3.13Å |
| 14 | D | 82.8 | Confident | 74.6 | Confident | 74 Ų | 74 | 131.3 Ų | 131.3 | 40% | 0.396 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.7 | -33.6 | -179.8 | -48 | -22 | 0 | 0 | 0 | 111.4 | V10 R11 F12 R18 | V10-D14 HydrophobicContact CG1-CB 4.21Å; R11-D14 WeakPolarHBondContact O-CB 3.44Å; R11-D14 PolarHBondContact O-N 3.31Å; F12-D14 VanDerWaalsContact C-N 3.32Å; F12-D14 PolarHBondContact O-N 3.38Å; D14-R18 WeakPolarHBondContact O-CB 3.45Å; D14-R18 WeakPolarHBondContact O-CG 3.44Å; D14-R18 PolarHBondContact O-N 3.41Å |
| 15 | L | 85 | Confident | 73.8 | Confident | 83 Ų | 83 | 133.3 Ų | 133.3 | 44% | 0.435 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.9 | -43.1 | 174.7 | -68.6 | 173.3 | 0 | 0 | 0 | 112.2 | V10 R11 F12 R13 R18 S19 | V10-L15 HydrophobicContact CG1-CD2 4.05Å; V10-L15 HydrophobicContact CG1-CG 3.94Å; R11-L15 PolarHBondContact O-N 3.33Å; F12-L15 PolarHBondContact O-N 3.15Å; R13-L15 VanDerWaalsContact C-N 3.31Å; R13-L15 PolarHBondContact O-N 3.43Å; L15-R18 PolarHBondContact O-N 3.12Å; L15-S19 PolarHBondContact O-N 2.79Å |
| 16 | Y | 80.1 | Confident | 72.6 | Confident | 142 Ų | 142 | 129.3 Ų | 129.3 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.1 | -44.6 | 178.2 | -178.9 | -102.1 | 0 | 0 | 0 | 111.4 | F12 R13 R18 S19 K20 | F12-Y16 PolarHBondContact O-N 3.45Å; R13-Y16 PolarHBondContact O-N 3.21Å; Y16-R18 VanDerWaalsContact C-N 3.34Å; Y16-R18 PolarHBondContact O-N 2.98Å; Y16-S19 PolarHBondContact O-N 3.26Å; Y16-S19 VanDerWaalsContact O-N 3.15Å; Y16-S19 PolarHBondContact O-OG 3.05Å; Y16-K20 HydrophobicContact CE1-CG 4.28Å; Y16-K20 PolarHBondContact O-N 3.29Å; Y16-K20 WeakPolarHBondContact OH-CE 3.47Å |
| 17 | E | 79.7 | Confident | 71.3 | Confident | 101 Ų | 101 | 128.5 Ų | 128.5 | 47% | 0.472 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 177.1 | -71.4 | 178.5 | -165.8 | 0 | 0 | 111.9 | R13 S19 K20 | R13-E17 IonicContact NE-OE1 3.65Å; R13-E17 WeakPolarHBondContact O-CG 3.46Å; R13-E17 PolarHBondContact O-N 3.13Å; E17-S19 PolarHBondContact O-N 3.49Å; E17-K20 PolarHBondContact O-N 3.32Å |
| 18 | R | 73.7 | Confident | 70.1 | Confident | 168 Ų | 168 | 129.3 Ų | 129.3 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.4 | -40.7 | 170.6 | -85.6 | 175.5 | 149.2 | -164.1 | -5.7 | 113.3 | D14 L15 Y16 K20 L21 | D14-R18 WeakPolarHBondContact O-CB 3.45Å; D14-R18 WeakPolarHBondContact O-CG 3.44Å; D14-R18 PolarHBondContact O-N 3.41Å; L15-R18 PolarHBondContact O-N 3.12Å; Y16-R18 VanDerWaalsContact C-N 3.34Å; Y16-R18 PolarHBondContact O-N 2.98Å; R18-K20 VanDerWaalsContact C-N 3.29Å; R18-K20 PolarHBondContact O-N 3.27Å; R18-L21 PolarHBondContact O-N 3.43Å |
| 19 | S | 71.1 | Confident | 68.3 | Low | 66 Ų | 66 | 130.9 Ų | 130.9 | 46% | 0.462 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.9 | -32.8 | -179.7 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | L15 Y16 E17 L21 G22 | L15-S19 PolarHBondContact O-N 2.79Å; Y16-S19 PolarHBondContact O-N 3.26Å; Y16-S19 VanDerWaalsContact O-N 3.15Å; Y16-S19 PolarHBondContact O-OG 3.05Å; E17-S19 PolarHBondContact O-N 3.49Å; S19-L21 VanDerWaalsContact C-N 3.28Å; S19-L21 PolarHBondContact O-N 3.3Å; S19-G22 PolarHBondContact O-N 2.79Å |
| 20 | K | 64.7 | Low | 66.5 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 51% | 0.509 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.7 | -21.7 | 178.9 | -71.7 | -65 | -179.9 | -165.3 | 0 | 114 | Y16 E17 R18 | Y16-K20 HydrophobicContact CE1-CG 4.28Å; Y16-K20 PolarHBondContact O-N 3.29Å; Y16-K20 WeakPolarHBondContact OH-CE 3.47Å; E17-K20 PolarHBondContact O-N 3.32Å; R18-K20 VanDerWaalsContact C-N 3.29Å; R18-K20 PolarHBondContact O-N 3.27Å |
| 21 | L | 60.4 | Low | 64.3 | Low | 138 Ų | 138 | 139.5 Ų | 139.5 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -8.6 | 178.8 | -66.8 | 169.6 | 0 | 0 | 0 | 113.4 | R18 S19 | R18-L21 PolarHBondContact O-N 3.43Å; S19-L21 VanDerWaalsContact C-N 3.28Å; S19-L21 PolarHBondContact O-N 3.3Å |
| 22 | G | 59 | Low | 62.2 | Low | 46 Ų | 46 | 136.3 Ų | 136.3 | 47% | 0.474 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -86.2 | -8.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S19 | S19-G22 PolarHBondContact O-N 2.79Š|
| 23 | E | 57.2 | Low | 60.1 | Low | 142 Ų | 142 | 134 Ų | 134 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -84.3 | -21.8 | -175 | -67.4 | 179.9 | 179.7 | 0 | 0 | 113.3 | | |
| 24 | D | 53.1 | Low | 58 | Low | 154 Ų | 154 | 128.1 Ų | 128.1 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -91 | -12.1 | -176.1 | -78.1 | -19.5 | 0 | 0 | 0 | 114.9 | | |
| 25 | E | 50.5 | Low | 55.9 | Low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -87.9 | -14.6 | -175.6 | -73.7 | -166.1 | 148.3 | 0 | 0 | 114.6 | Q27 | E25-Q27 PolarHBondContact O-N 3.05Å; E25-Q27 VanDerWaalsContact O-N 3.11Å |
| 26 | T | 50.7 | Low | 53.8 | Low | 122 Ų | 122 | 132.7 Ų | 132.7 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -73.5 | 1.4 | -176.7 | 30.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 27 | Q | 50.6 | Low | 52 | Low | 184 Ų | 184 | 134.8 Ų | 134.8 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -104.8 | 1.9 | 177 | -65.5 | -157.3 | 13.7 | 0 | 0 | 116.3 | E25 | E25-Q27 PolarHBondContact O-N 3.05Å; E25-Q27 VanDerWaalsContact O-N 3.11Å |
| 28 | Q | 52.3 | Low | 50.3 | Low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -108 | -2.7 | 179.6 | -65.4 | -155.5 | -0.1 | 0 | 0 | 116.3 | | |
| 29 | S | 43.5 | Very low | 48.8 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -94 | 6 | -173.2 | -173.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 30 | I | 46.5 | Very low | 47.3 | Very low | 157 Ų | 157 | 140 Ų | 140 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | trans | -118.7 | 59 | 172.1 | -44.3 | 175.9 | 0 | 0 | 0 | 109.7 | V32 | I30-V32 HydrophobicContact CG2-CG2 4.42Š|
| 31 | R | 37.5 | Very low | 46 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | | | trans | -100.5 | 78.5 | 153 | -98 | -175.4 | 177.5 | 171.2 | 0.7 | 107.8 | P33 | R31-P33 WeakPolarHBondContact O-CD 3.36Š|
| 32 | V | 43 | Very low | 44.9 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | trans | -66 | 121.1 | 153.9 | 177.9 | 0 | 0 | 0 | 0 | 105.6 | I30 G34 | I30-V32 HydrophobicContact CG2-CG2 4.42Å; V32-G34 PolarHBondContact O-N 3.35Å |
| 33 | P | 38.5 | Very low | 44 | Very low | 131 Ų | 131 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -73.5 | 85.8 | 173.8 | 28.8 | -28.5 | 0 | 0 | 0 | 107.9 | R31 | R31-P33 WeakPolarHBondContact O-CD 3.36Š|
| 34 | G | 37.9 | Very low | 43.7 | Very low | 62 Ų | 62 | 147.4 Ų | 147.4 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | | | trans | -99.1 | 130.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V32 | V32-G34 PolarHBondContact O-N 3.35Š|
| 35 | D | 38.3 | Very low | 43.4 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | trans | -42.3 | 148.3 | -167.6 | -83.9 | -55.8 | 0 | 0 | 0 | 118.4 | K37 | D35-K37 PolarHBondContact O-N 3.21Š|
| 36 | A | 41.9 | Very low | 43.5 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -47.1 | 126.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 37 | K | 41.7 | Very low | 43.6 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 81% | 0.809 | 81% | 0.81 | S | S | * | * | | | | 155.9 | 95.9 | 127.6 | -71.1 | -116.2 | -177.5 | 173.5 | 0 | 107.7 | D35 | D35-K37 PolarHBondContact O-N 3.21Š|
| 38 | N | 45 | Very low | 43.9 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | | | trans | -159.8 | 111.6 | 135.2 | -90.5 | -25.6 | 0 | 0 | 0 | 108.8 | | |
| 39 | K | 42.2 | Very low | 43.9 | Very low | 211 Ų | 211 | 151.8 Ų | 151.8 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -81.9 | 155 | 172.8 | -61.2 | -178.5 | 173.5 | -173.9 | 0 | 108.6 | | |
| 40 | G | 39.3 | Very low | 44.5 | Very low | 61 Ų | 61 | 151.4 Ų | 151.4 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | | | trans | 108.4 | 90.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 41 | T | 36.5 | Very low | 44.7 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | | | | 77.3 | 95.9 | 94.6 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 42 | G | 37.1 | Very low | 45.1 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | | 69.3 | 100.2 | 123.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 43 | E | 41.5 | Very low | 45.5 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -148.1 | 106.2 | 149 | -127.8 | 177.4 | 164.5 | 0 | 0 | 112.5 | | |
| 44 | K | 49.8 | Very low | 46 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | 29.2 | 104.4 | 142.5 | -57.4 | -177.7 | 179 | 178.9 | 0 | 117.2 | | |
| 45 | R | 47.2 | Very low | 46.5 | Very low | 245 Ų | 245 | 151.1 Ų | 151.1 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | -128.5 | 88.4 | 152.7 | -78.6 | -171.7 | 156.8 | -178.3 | -6.3 | 110.5 | | |
| 46 | S | 52.2 | Low | 47.1 | Very low | 86 Ų | 86 | 148 Ų | 148 | 60% | 0.601 | 80% | 0.804 | S | S | * | * | | | trans | 17.5 | 111.3 | 150.2 | -48.6 | 0 | 0 | 0 | 0 | 117.7 | W48 | S46-W48 VanDerWaalsContact CB-NE1 3.32Å; S46-W48 PolarHBondContact O-N 3.05Å |
| 47 | D | 52.7 | Low | 47.5 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | -61.8 | 84.6 | 153.8 | -69.7 | -43.8 | 0 | 0 | 0 | 109.4 | K49 | D47-K49 PolarHBondContact O-N 3.2Š|
| 48 | W | 57.6 | Low | 48.1 | Very low | 218 Ų | 218 | 148.4 Ų | 148.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -75 | 79.7 | 161.8 | -70.3 | 68.9 | 0 | 0 | 0 | 107 | S46 S50 | S46-W48 VanDerWaalsContact CB-NE1 3.32Å; S46-W48 PolarHBondContact O-N 3.05Å; W48-S50 VanDerWaalsContact C-N 3.31Å; W48-S50 PolarHBondContact O-N 3.11Å |
| 49 | K | 51.4 | Low | 48.1 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | -56.9 | 103.6 | 158.3 | -74.9 | -171.1 | 174.2 | -178 | 0 | 106.3 | D47 D51 | D47-K49 PolarHBondContact O-N 3.2Å; K49-D51 PolarHBondContact O-N 3.37Å |
| 50 | S | 55.6 | Low | 48.8 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -72.6 | 99 | 172.9 | -58.8 | 0 | 0 | 0 | 0 | 106.4 | W48 N52 | W48-S50 VanDerWaalsContact C-N 3.31Å; W48-S50 PolarHBondContact O-N 3.11Å; S50-N52 VanDerWaalsContact C-N 3.3Å; S50-N52 PolarHBondContact O-N 3.36Å |
| 51 | D | 50.9 | Low | 49.2 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | trans | -62.2 | 96.9 | 166.6 | -80.6 | -34.5 | 0 | 0 | 0 | 107.7 | K49 S53 | K49-D51 PolarHBondContact O-N 3.37Å; D51-S53 PolarHBondContact O-N 3.09Å |
| 52 | N | 46.8 | Very low | 49.6 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -71 | 65.8 | 164.2 | -108.2 | 0.1 | 0 | 0 | 0 | 108.1 | S50 K54 | S50-N52 VanDerWaalsContact C-N 3.3Å; S50-N52 PolarHBondContact O-N 3.36Å; N52-K54 PolarHBondContact O-N 3.11Å |
| 53 | S | 52.2 | Low | 50 | Low | 113 Ų | 113 | 155.1 Ų | 155.1 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -73.4 | 112 | 170.4 | -163.8 | 0 | 0 | 0 | 0 | 108 | D51 | D51-S53 PolarHBondContact O-N 3.09Š|
| 54 | K | 49.1 | Very low | 50.2 | Low | 199 Ų | 199 | 150.8 Ų | 150.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -45 | 133.1 | 179.2 | -69.7 | 164.1 | 172.3 | 175 | 0 | 112.9 | N52 | N52-K54 PolarHBondContact O-N 3.11Š|
| 55 | G | 48 | Very low | 50 | Low | 73 Ų | 73 | 148.4 Ų | 148.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | 75.9 | 77.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | S57 | G55-S57 PolarHBondContact O-N 2.85Š|
| 56 | S | 51.4 | Low | 50 | Low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | -80.4 | 92.3 | 152.9 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | F58 | S56-F58 PolarHBondContact O-N 3.13Å; S56-F58 VanDerWaalsContact O-N 3.07Å; S56-F58 WeakPolarHBondContact OG-CD2 3.21Å; S56-F58 WeakPolarHBondContact OG-CE2 3.39Å |
| 57 | S | 48.4 | Very low | 49.8 | Very low | 100 Ų | 100 | 150.2 Ų | 150.2 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | trans | -67.2 | 92.8 | 171.5 | 171.9 | 0 | 0 | 0 | 0 | 110 | G55 Q59 | G55-S57 PolarHBondContact O-N 2.85Å; S57-Q59 PolarHBondContact O-N 3.15Å |
| 58 | F | 55.8 | Low | 49.7 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | | | trans | -88.1 | 100.1 | 165.8 | -87.5 | -80.7 | 0 | 0 | 0 | 109.3 | S56 S60 | S56-F58 PolarHBondContact O-N 3.13Å; S56-F58 VanDerWaalsContact O-N 3.07Å; S56-F58 WeakPolarHBondContact OG-CD2 3.21Å; S56-F58 WeakPolarHBondContact OG-CE2 3.39Å; F58-S60 PolarHBondContact O-N 3.35Å |
| 59 | Q | 45.1 | Very low | 49.2 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 100.2 | 163.8 | -61.6 | -174.6 | -85.4 | 0 | 0 | 107.1 | S57 | S57-Q59 PolarHBondContact O-N 3.15Š|
| 60 | S | 56.3 | Low | 49.3 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -86.4 | 120.1 | 165.6 | 44 | 0 | 0 | 0 | 0 | 108.1 | F58 | F58-S60 PolarHBondContact O-N 3.35Š|
| 61 | E | 48.3 | Very low | 49.5 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -65.1 | 144.3 | -176.8 | -69.4 | 172.9 | 116.3 | 0 | 0 | 111.3 | N63 | E61-N63 PolarHBondContact O-N 3.27Å; E61-N63 VanDerWaalsContact O-N 3.13Å |
| 62 | K | 43.6 | Very low | 49.9 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -66.9 | 101.7 | 175 | -72.9 | 168.7 | 169.6 | 176.6 | 0 | 109.2 | S64 | K62-S64 PolarHBondContact O-N 3.16Š|
| 63 | N | 47.1 | Very low | 50.1 | Low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -88.5 | 90.8 | 161.9 | -61.7 | 7.2 | 0 | 0 | 0 | 107 | E61 | E61-N63 PolarHBondContact O-N 3.27Å; E61-N63 VanDerWaalsContact O-N 3.13Å |
| 64 | S | 45 | Very low | 50.2 | Low | 86 Ų | 86 | 137.8 Ų | 137.8 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | | | trans | -64.1 | 151 | 171.9 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | K62 | K62-S64 PolarHBondContact O-N 3.16Š|
| 65 | D | 44.7 | Very low | 50.4 | Low | 142 Ų | 142 | 134.7 Ų | 134.7 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | trans | 62.7 | 104.1 | 147 | -54.2 | -30.6 | 0 | 0 | 0 | 118.6 | | |
| 66 | K | 47 | Very low | 50.6 | Low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | | | | -177.2 | 111.8 | 99 | -91.8 | 166.8 | -167.9 | -170.2 | 0 | 110.1 | S68 | K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 2.85Å |
| 67 | L | 49.9 | Very low | 50.5 | Low | 168 Ų | 168 | 146.3 Ų | 146.3 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | | | trans | -62.6 | 93.2 | 162.8 | -63.4 | 164.9 | 0 | 0 | 0 | 107.8 | N69 | L67-N69 PolarHBondContact O-N 3.15Š|
| 68 | S | 49.1 | Very low | 50.8 | Low | 97 Ų | 97 | 149.5 Ų | 149.5 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -75.4 | 105.9 | 160.9 | 60.2 | 0 | 0 | 0 | 0 | 106.9 | K66 E70 | K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 2.85Å; S68-E70 PolarHBondContact O-N 2.98Å |
| 69 | N | 48.2 | Very low | 50.7 | Low | 161 Ų | 161 | 145.5 Ų | 145.5 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | | | trans | -66.1 | 79.1 | 164.1 | -67.2 | -48.7 | 0 | 0 | 0 | 108 | L67 | L67-N69 PolarHBondContact O-N 3.15Š|
| 70 | E | 52.4 | Low | 51.1 | Low | 139 Ų | 139 | 140.5 Ų | 140.5 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | | | trans | -101.3 | 125.1 | 168.9 | -81 | -84.5 | 156.4 | 0 | 0 | 107.7 | S68 | S68-E70 PolarHBondContact O-N 2.98Š|
| 71 | D | 61.2 | Low | 51 | Low | 112 Ų | 112 | 141.4 Ų | 141.4 | 60% | 0.599 | 72% | 0.715 | S | S | * | * | | | trans | -57.9 | 128.1 | -178.4 | -129.3 | -27.7 | 0 | 0 | 0 | 110 | H73 S74 | D71-H73 PolarHBondContact O-N 3.47Å; D71-S74 PolarHBondContact O-N 3.45Å; D71-S74 VanDerWaalsContact O-N 3.11Å; D71-S74 PolarHBondContact O-OG 2.84Å |
| 72 | P | 59.1 | Low | 51.4 | Low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -6 | -177.3 | 22.9 | -33.8 | 0 | 0 | 0 | 114.3 | | |
| 73 | H | 50.7 | Low | 52 | Low | 138 Ų | 138 | 136.5 Ų | 136.5 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -12.8 | 178.9 | -65.8 | -59 | 0 | 0 | 0 | 114.7 | D71 | D71-H73 PolarHBondContact O-N 3.47Š|
| 74 | S | 53.4 | Low | 52.6 | Low | 73 Ų | 73 | 133.7 Ų | 133.7 | 51% | 0.51 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -73.8 | -33.4 | -176.5 | -51 | 0 | 0 | 0 | 0 | 113.5 | D71 R76 | D71-S74 PolarHBondContact O-N 3.45Å; D71-S74 VanDerWaalsContact O-N 3.11Å; D71-S74 PolarHBondContact O-OG 2.84Å; S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 PolarHBondContact O-N 3.36Å |
| 75 | L | 54.1 | Low | 53.4 | Low | 133 Ų | 133 | 134.6 Ų | 134.6 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -74 | -16.8 | -177.7 | -103.6 | 116 | 0 | 0 | 0 | 114.2 | R77 | L75-R77 PolarHBondContact O-N 3.25Å; L75-R77 VanDerWaalsContact O-N 3.09Å |
| 76 | R | 51.1 | Low | 54.2 | Low | 197 Ų | 197 | 133.2 Ų | 133.2 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -69 | -13.9 | -169 | -153.7 | 177.6 | -177.8 | 151.9 | 1.8 | 114.5 | S74 | S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 PolarHBondContact O-N 3.36Å |
| 77 | R | 51.1 | Low | 54.9 | Low | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -83.5 | -25.7 | -176.7 | -68.6 | -156.6 | -170.8 | -171.4 | 5.7 | 114.6 | L75 S80 | L75-R77 PolarHBondContact O-N 3.25Å; L75-R77 VanDerWaalsContact O-N 3.09Å; R77-S80 PolarHBondContact O-OG 3.44Å; R77-S80 VanDerWaalsContact O-OG 3.05Å |
| 78 | Q | 54 | Low | 55.4 | Low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -27.9 | -177.9 | -80.9 | -168.8 | -23.8 | 0 | 0 | 113.9 | S80 | Q78-S80 VanDerWaalsContact C-N 3.29Å; Q78-S80 PolarHBondContact O-N 3.08Å |
| 79 | D | 52.8 | Low | 55.8 | Low | 100 Ų | 100 | 128.2 Ų | 128.2 | 54% | 0.535 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.5 | -24.2 | -179 | -66.8 | -26.6 | 0 | 0 | 0 | 113.4 | L81 Q82 Q83 | D79-L81 VanDerWaalsContact C-N 3.27Å; D79-L81 PolarHBondContact O-N 2.89Å; D79-Q82 PolarHBondContact O-N 3.16Å; D79-Q83 PolarHBondContact O-N 2.96Å |
| 80 | S | 54.2 | Low | 56.4 | Low | 70 Ų | 70 | 124.3 Ų | 124.3 | 49% | 0.49 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.2 | -31.6 | -179.1 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | R77 Q78 | R77-S80 PolarHBondContact O-OG 3.44Å; R77-S80 VanDerWaalsContact O-OG 3.05Å; Q78-S80 VanDerWaalsContact C-N 3.29Å; Q78-S80 PolarHBondContact O-N 3.08Å |
| 81 | L | 55 | Low | 56.4 | Low | 136 Ų | 136 | 123 Ų | 123 | 71% | 0.712 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78.7 | -25.8 | 179.1 | -77 | 169 | 0 | 0 | 0 | 113.1 | D79 | D79-L81 VanDerWaalsContact C-N 3.27Å; D79-L81 PolarHBondContact O-N 2.89Å |
| 82 | Q | 54.8 | Low | 56.1 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.4 | -28.7 | 176.2 | -73.3 | -168.9 | -7.1 | 0 | 0 | 112.5 | D79 V85 L86 | D79-Q82 PolarHBondContact O-N 3.16Å; Q82-V85 PolarHBondContact O-N 3.41Å; Q82-L86 PolarHBondContact O-N 3.35Å |
| 83 | Q | 57 | Low | 55.8 | Low | 128 Ų | 128 | 124.5 Ų | 124.5 | 60% | 0.598 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.8 | -39.8 | -179.3 | -151 | 170.8 | 6.2 | 0 | 0 | 112.2 | D79 V85 L86 E87 | D79-Q83 PolarHBondContact O-N 2.96Å; Q83-V85 VanDerWaalsContact C-N 3.33Å; Q83-V85 PolarHBondContact O-N 2.99Å; Q83-L86 PolarHBondContact O-N 3.49Å; Q83-E87 PolarHBondContact O-N 3Å |
| 84 | D | 59 | Low | 55.8 | Low | 95 Ų | 95 | 121.6 Ų | 121.6 | 51% | 0.508 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65 | -33.2 | 178.9 | -113.8 | 14 | 0 | 0 | 0 | 113.3 | R88 | D84-R88 PolarHBondContact O-N 3.39Å |
| 85 | V | 62.4 | Low | 55.7 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.3 | -39.5 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | Q82 Q83 S89 | Q82-V85 PolarHBondContact O-N 3.41Å; Q83-V85 VanDerWaalsContact C-N 3.33Å; Q83-V85 PolarHBondContact O-N 2.99Å; V85-S89 PolarHBondContact O-N 3.07Å |
| 86 | L | 62.1 | Low | 55.6 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.5 | -43.8 | 177.6 | -86.2 | 159.8 | 0 | 0 | 0 | 111.8 | Q82 Q83 R88 S89 V90 | Q82-L86 PolarHBondContact O-N 3.35Å; Q83-L86 PolarHBondContact O-N 3.49Å; L86-R88 PolarHBondContact O-N 3.1Å; L86-S89 PolarHBondContact O-N 3.45Å; L86-S89 VanDerWaalsContact O-N 3.15Å; L86-S89 PolarHBondContact O-OG 3.13Å; L86-V90 WeakPolarHBondContact O-CG2 3.26Å; L86-V90 PolarHBondContact O-N 3.37Å; L86-V90 VanDerWaalsContact O-N 3.12Å |
| 87 | E | 60.6 | Low | 55.5 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.7 | -40.4 | 179 | -77.9 | -164.8 | 170.2 | 0 | 0 | 112.6 | Q83 S89 V90 N91 | Q83-E87 PolarHBondContact O-N 3Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 3.45Å; E87-V90 PolarHBondContact O-N 3.25Å; E87-N91 PolarHBondContact O-N 3.34Å; E87-N91 VanDerWaalsContact O-N 3.13Å; E87-N91 PolarHBondContact O-ND2 3.2Å |
| 88 | R | 60.6 | Low | 55.5 | Low | 190 Ų | 190 | 115.8 Ų | 115.8 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63 | -35.4 | 175.1 | -73.8 | -176.4 | -172.2 | -171.1 | 4.3 | 112.9 | D84 L86 Q92 | D84-R88 PolarHBondContact O-N 3.39Å; L86-R88 PolarHBondContact O-N 3.1Å; R88-Q92 PolarHBondContact O-N 3.12Å |
| 89 | S | 58.9 | Low | 55.4 | Low | 56 Ų | 56 | 116.7 Ų | 116.7 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.5 | -35.8 | -180 | 79.6 | 0 | 0 | 0 | 0 | 113.2 | V85 L86 E87 S93 | V85-S89 PolarHBondContact O-N 3.07Å; L86-S89 PolarHBondContact O-N 3.45Å; L86-S89 VanDerWaalsContact O-N 3.15Å; L86-S89 PolarHBondContact O-OG 3.13Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 3.45Å; S89-S93 PolarHBondContact O-N 2.65Å; S89-S93 PolarHBondContact O-OG 3.44Å |
| 90 | V | 58.9 | Low | 55.3 | Low | 79 Ų | 79 | 123.2 Ų | 123.2 | 48% | 0.479 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.6 | -42.5 | 178.8 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | L86 E87 Q92 S93 C94 | L86-V90 WeakPolarHBondContact O-CG2 3.26Å; L86-V90 PolarHBondContact O-N 3.37Å; L86-V90 VanDerWaalsContact O-N 3.12Å; E87-V90 PolarHBondContact O-N 3.25Å; V90-Q92 VanDerWaalsContact C-N 3.27Å; V90-Q92 PolarHBondContact O-N 3.13Å; V90-S93 PolarHBondContact O-N 2.84Å; V90-C94 PolarHBondContact O-N 3.44Å; V90-C94 PolarHBondContact O-SG 3.28Å |
| 91 | N | 54 | Low | 55.3 | Low | 111 Ų | 111 | 124.3 Ų | 124.3 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.8 | -28 | 179.6 | -70.1 | -27.6 | 0 | 0 | 0 | 113.2 | E87 S93 | E87-N91 PolarHBondContact O-N 3.34Å; E87-N91 VanDerWaalsContact O-N 3.13Å; E87-N91 PolarHBondContact O-ND2 3.2Å; N91-S93 VanDerWaalsContact C-N 3.33Å |
| 92 | Q | 54.1 | Low | 55 | Low | 169 Ų | 169 | 127.8 Ų | 127.8 | 79% | 0.79 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74 | -25.9 | 174.5 | -139.2 | 175.1 | 25.5 | 0 | 0 | 112.8 | R88 V90 | R88-Q92 PolarHBondContact O-N 3.12Å; V90-Q92 VanDerWaalsContact C-N 3.27Å; V90-Q92 PolarHBondContact O-N 3.13Å |
| 93 | S | 53.7 | Low | 54.8 | Low | 85 Ų | 85 | 130.7 Ų | 130.7 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.2 | -27.8 | -177.9 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | S89 V90 N91 S95 | S89-S93 PolarHBondContact O-N 2.65Å; S89-S93 PolarHBondContact O-OG 3.44Å; V90-S93 PolarHBondContact O-N 2.84Å; N91-S93 VanDerWaalsContact C-N 3.33Å; S93-S95 PolarHBondContact O-N 3.18Å |
| 94 | C | 50.2 | Low | 54.6 | Low | 77 Ų | 77 | 135.9 Ų | 135.9 | 52% | 0.52 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -73.6 | -23.6 | -176.3 | -68.9 | 0 | 0 | 0 | 0 | 114.4 | V90 K96 | V90-C94 PolarHBondContact O-N 3.44Å; V90-C94 PolarHBondContact O-SG 3.28Å; C94-K96 VanDerWaalsContact C-N 3.3Å; C94-K96 PolarHBondContact O-N 3.07Å |
| 95 | S | 51.5 | Low | 54 | Low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -14.8 | -176.7 | -73.4 | 0 | 0 | 0 | 0 | 114.8 | S93 | S93-S95 PolarHBondContact O-N 3.18Š|
| 96 | K | 51.3 | Low | 53.1 | Low | 198 Ų | 198 | 139.8 Ų | 139.8 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -16.8 | -174.2 | -123.9 | 173.6 | -176.2 | 172.1 | 0 | 115 | C94 | C94-K96 VanDerWaalsContact C-N 3.3Å; C94-K96 PolarHBondContact O-N 3.07Å |
| 97 | A | 49.9 | Very low | 52.2 | Low | 75 Ų | 75 | 141.5 Ų | 141.5 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -15.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 98 | E | 51.5 | Low | 51.2 | Low | 122 Ų | 122 | 140.7 Ų | 140.7 | 57% | 0.57 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -76.9 | -23 | -174.4 | -156.2 | -174.7 | 137.2 | 0 | 0 | 113.7 | R100 R102 | E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 3.24Å; E98-R102 IonicContact OE1-CZ 3.85Å; E98-R102 IonicContact OE1-NH2 2.79Å; E98-R102 PolarHBondContact OE1-NH2 2.69Å |
| 99 | E | 50.3 | Low | 50.3 | Low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -75.3 | -19 | -171.4 | -159.3 | 174 | 177 | 0 | 0 | 113.9 | | |
| 100 | R | 51.7 | Low | 49.6 | Very low | 237 Ų | 237 | 142.8 Ų | 142.8 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -92.8 | -10.3 | -170.1 | -123.4 | 174 | 177.4 | 161.7 | -1 | 116.1 | E98 | E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 3.24Å |
| 101 | S | 53 | Low | 48.9 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -102.6 | -12.3 | -169.3 | -59.2 | 0 | 0 | 0 | 0 | 115.3 | K103 | S101-K103 PolarHBondContact O-N 3.08Å; S101-K103 VanDerWaalsContact O-N 3.11Å |
| 102 | R | 50.5 | Low | 48.4 | Very low | 209 Ų | 209 | 151.4 Ų | 151.4 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 1.9 | -178.1 | -64.3 | -171.5 | -170.8 | -179.2 | 4 | 114.9 | E98 | E98-R102 IonicContact OE1-CZ 3.85Å; E98-R102 IonicContact OE1-NH2 2.79Å; E98-R102 PolarHBondContact OE1-NH2 2.69Å |
| 103 | K | 49.3 | Very low | 48.1 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 3.5 | -170.3 | -135.1 | 170.5 | -174.3 | 174.3 | 0 | 116.8 | S101 | S101-K103 PolarHBondContact O-N 3.08Å; S101-K103 VanDerWaalsContact O-N 3.11Å |
| 104 | R | 52.7 | Low | 47.6 | Very low | 236 Ų | 236 | 156.4 Ų | 156.4 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -135.4 | 9.7 | -173.8 | -74.7 | -159.8 | 170 | -168.8 | -2.3 | 118.6 | | |
| 105 | L | 46.3 | Very low | 47.5 | Very low | 177 Ų | 177 | 157.3 Ų | 157.3 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | | | trans | -113 | 70 | 177.3 | -72.4 | 164.5 | 0 | 0 | 0 | 111.3 | | |
| 106 | S | 44.4 | Very low | 47.3 | Very low | 105 Ų | 105 | 160.7 Ų | 160.7 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -133.2 | 101 | 158.2 | 60.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 107 | V | 43.9 | Very low | 47.3 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | -176.5 | 134.8 | 136.6 | 170.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 108 | S | 39.4 | Very low | 47.3 | Very low | 97 Ų | 97 | 163.6 Ų | 163.6 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | -86.3 | 163.7 | -162.8 | 45.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 109 | D | 40.8 | Very low | 47 | Very low | 141 Ų | 141 | 164.4 Ų | 164.4 | 75% | 0.754 | 83% | 0.828 | S | S | * | * | | | trans | 52.4 | 110.5 | 144.2 | -77 | -39.1 | 0 | 0 | 0 | 121.5 | | |
| 110 | V | 45.1 | Very low | 47.3 | Very low | 150 Ų | 150 | 160.8 Ų | 160.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | | -149.6 | 108.5 | 128.1 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 111 | K | 42.4 | Very low | 47.6 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | | | trans | -77.8 | 159.3 | 162.1 | -88.2 | 173.1 | 169.9 | 172.7 | 0 | 110 | | |
| 112 | E | 43.8 | Very low | 47.4 | Very low | 189 Ų | 189 | 161 Ų | 161 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | 100.7 | 93.1 | 162.9 | -58.5 | 180 | 168.6 | 0 | 0 | 118 | | |
| 113 | S | 47.6 | Very low | 47.9 | Very low | 114 Ų | 114 | 156.6 Ų | 156.6 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | | | trans | -165.8 | 65.3 | 144 | 50 | 0 | 0 | 0 | 0 | 111.5 | | |
| 114 | Y | 44.6 | Very low | 48.3 | Very low | 245 Ų | 245 | 157 Ų | 157 | 96% | 0.961 | 83% | 0.83 | S | S | * | * | | | trans | -112.7 | 80.4 | 164.5 | -81 | -83.9 | 0 | 0 | 0 | 109.2 | | |
| 115 | S | 48.1 | Very low | 48.1 | Very low | 97 Ų | 97 | 155.9 Ų | 155.9 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | | | trans | -145.4 | 130.1 | 162.9 | 84.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 116 | Q | 46.2 | Very low | 48.3 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | 77.5 | 88.9 | 153.2 | -55 | 179.5 | 29.9 | 0 | 0 | 119.3 | | |
| 117 | L | 51.7 | Low | 48.1 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | | | trans | -134.4 | 72.6 | 150.5 | -68.4 | 176.9 | 0 | 0 | 0 | 109.8 | | |
| 118 | N | 49.8 | Very low | 48.2 | Very low | 167 Ų | 167 | 158.5 Ų | 158.5 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | | | trans | -123.3 | 87.4 | 165.6 | -83.4 | -28.3 | 0 | 0 | 0 | 107.9 | | |
| 119 | V | 45.5 | Very low | 48.1 | Very low | 139 Ų | 139 | 159 Ų | 159 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | | | trans | -120.1 | 111.2 | 172.1 | -156.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 120 | S | 56.7 | Low | 48.4 | Very low | 109 Ų | 109 | 163.5 Ų | 163.5 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | | | trans | -69.7 | 138.8 | -177.8 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 121 | P | 57.5 | Low | 48.1 | Very low | 124 Ų | 124 | 163 Ų | 163 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | | | trans | -76.4 | 125.2 | 177.4 | -12.2 | 27.5 | 0 | 0 | 0 | 112.7 | | |
| 122 | K | 49.1 | Very low | 47.7 | Very low | 212 Ų | 212 | 157 Ų | 157 | 92% | 0.922 | 82% | 0.824 | S | S | * | * | | | trans | -85 | 109.6 | 167.5 | -84.1 | 176.7 | 169.3 | 171 | 0 | 109.5 | | |
| 123 | T | 61.4 | Low | 47.6 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 126.3 | 173.8 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 124 | K | 58.4 | Low | 47.1 | Very low | 209 Ų | 209 | 156.7 Ų | 156.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 116.1 | 167.8 | -70.9 | -79.5 | -178.2 | 173.9 | 0 | 108.1 | | |
| 125 | F | 47.7 | Very low | 46.6 | Very low | 211 Ų | 211 | 152.6 Ų | 152.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 121.5 | -179.7 | -152.1 | -99.1 | 0 | 0 | 0 | 109.1 | | |
| 126 | G | 50.1 | Low | 46.3 | Very low | 74 Ų | 74 | 154.4 Ų | 154.4 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | -126.6 | 114.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 127 | E | 41.1 | Very low | 46.2 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -55.4 | 148.3 | 176.4 | -70.5 | 168.3 | 115.7 | 0 | 0 | 114.2 | | |
| 128 | R | 45 | Very low | 45.6 | Very low | 240 Ų | 240 | 155 Ų | 155 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | 168.1 | 104.5 | 132.5 | -87.7 | 151.2 | -171.2 | -147.7 | 1.9 | 108.4 | | |
| 129 | S | 38.3 | Very low | 45.1 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | | 58.5 | 101.7 | 78.9 | -164.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 130 | R | 45.7 | Very low | 45.2 | Very low | 235 Ų | 235 | 158.1 Ų | 158.1 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | 178.7 | 104.5 | 142 | -97.7 | 166 | -172.1 | -161.9 | 2.8 | 108.6 | | |
| 131 | V | 39.9 | Very low | 44.4 | Very low | 138 Ų | 138 | 160.8 Ų | 160.8 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | | 78.5 | 115.3 | 86.8 | 169.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 132 | G | 33.8 | Very low | 44.1 | Very low | 56 Ų | 56 | 162.8 Ų | 162.8 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | | | trans | 106.6 | 102 | 135.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 133 | N | 41.6 | Very low | 44.3 | Very low | 150 Ų | 150 | 158 Ų | 158 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | | 162.1 | 96.1 | 125.8 | -79.7 | -17.1 | 0 | 0 | 0 | 107.6 | | |
| 134 | N | 37.5 | Very low | 43.4 | Very low | 146 Ų | 146 | 162.9 Ų | 162.9 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | | | | 65.6 | 116.9 | 81 | -64.5 | -15.8 | 0 | 0 | 0 | 113.2 | | |
| 135 | Q | 33.8 | Very low | 42.8 | Very low | 159 Ų | 159 | 163.4 Ų | 163.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 116.6 | 111.3 | 136.5 | -149.3 | 167.1 | 20.7 | 0 | 0 | 117.1 | | |
| 136 | E | 40.5 | Very low | 42.8 | Very low | 136 Ų | 136 | 164.1 Ų | 164.1 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | trans | 63.2 | 93.7 | 144.1 | -70.5 | 163.6 | -157.5 | 0 | 0 | 119.5 | | |
| 137 | F | 44.5 | Very low | 42.4 | Very low | 216 Ų | 216 | 170.7 Ų | 170.7 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | | | | -128.7 | 83.2 | 123.8 | -124.8 | -94.7 | 0 | 0 | 0 | 108.1 | | |
| 138 | L | 40.2 | Very low | 42.5 | Very low | 139 Ų | 139 | 167.9 Ų | 167.9 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | trans | -71.6 | 146.9 | 161.2 | -96.6 | 156.4 | 0 | 0 | 0 | 108.2 | | |
| 139 | Q | 39.5 | Very low | 42.7 | Very low | 175 Ų | 175 | 164.2 Ų | 164.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 93.6 | 95.1 | 166.6 | -51.8 | 179.7 | 31.2 | 0 | 0 | 116.8 | | |
| 140 | Q | 47.4 | Very low | 43.2 | Very low | 197 Ų | 197 | 162.8 Ų | 162.8 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | | -165.1 | 112.9 | 100.5 | -97.8 | 178 | 18.7 | 0 | 0 | 110 | | |
| 141 | E | 39 | Very low | 43 | Very low | 164 Ų | 164 | 159.6 Ų | 159.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | trans | -71.8 | 148.8 | 166.8 | -68.3 | -177.1 | 131.8 | 0 | 0 | 110.8 | | |
| 142 | H | 51.4 | Low | 43.6 | Very low | 167 Ų | 167 | 158.5 Ų | 158.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | | -177 | 121.6 | 110 | -84.5 | -47.3 | 0 | 0 | 0 | 111.3 | | |
| 143 | P | 52.4 | Low | 44.2 | Very low | 112 Ų | 112 | 162.4 Ų | 162.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -93.9 | 123.3 | 165.8 | 31.8 | -24.7 | 0 | 0 | 0 | 110.3 | | |
| 144 | R | 43.9 | Very low | 44.5 | Very low | 216 Ų | 216 | 162.5 Ų | 162.5 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | | | trans | -179.3 | 131.6 | 168.5 | -106.3 | 159.5 | -170.9 | 174.4 | 4.5 | 108 | | |
| 145 | R | 45.5 | Very low | 45 | Very low | 221 Ų | 221 | 160.4 Ų | 160.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | cis | -148.2 | 153 | 20 | -73.7 | -179.6 | 167.2 | 91.1 | -3.6 | 110 | | |
| 146 | R | 47.5 | Very low | 45.8 | Very low | 226 Ų | 226 | 158.5 Ų | 158.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -70.5 | 168.4 | 157.3 | -75.2 | -173.9 | 170.1 | 115 | -4.3 | 111.2 | | |
| 147 | R | 42.4 | Very low | 46.1 | Very low | 211 Ų | 211 | 158.5 Ų | 158.5 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | 88.7 | 137.7 | 152.1 | -64.2 | -151.2 | -155.3 | 156 | -2.1 | 115.5 | | |
| 148 | D | 43.6 | Very low | 46.3 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | | | cis | -160 | 156.8 | -1 | -87.7 | -29.8 | 0 | 0 | 0 | 107 | | |
| 149 | E | 47.4 | Very low | 46.5 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | trans | 40.3 | 101.8 | 141.6 | -66.6 | 163.4 | 165.7 | 0 | 0 | 119.1 | | |
| 150 | G | 48.9 | Very low | 46.9 | Very low | 78 Ų | 78 | 156 Ų | 156 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -124.8 | 73 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S152 | G150-S152 PolarHBondContact O-N 3.05Š|
| 151 | F | 43.1 | Very low | 47 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -59.3 | 127 | 158.5 | -88.7 | -98 | 0 | 0 | 0 | 107.9 | | |
| 152 | S | 51.3 | Low | 47.5 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -141 | 111.1 | 156.3 | -69.1 | 0 | 0 | 0 | 0 | 107.2 | G150 | G150-S152 PolarHBondContact O-N 3.05Š|
| 153 | D | 47.6 | Very low | 47.3 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -53.5 | 133.2 | -173.9 | -66.1 | -53.9 | 0 | 0 | 0 | 112.6 | S155 | D153-S155 VanDerWaalsContact C-N 3.29Å; D153-S155 PolarHBondContact O-N 3.47Å; D153-S155 VanDerWaalsContact O-N 3.14Å |
| 154 | T | 47.2 | Very low | 47.1 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | | | trans | -83.1 | 77.2 | 167.6 | 44.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 155 | S | 47.8 | Very low | 47.5 | Very low | 102 Ų | 102 | 146 Ų | 146 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -136 | 81.7 | 171.5 | 74.8 | 0 | 0 | 0 | 0 | 112.1 | D153 | D153-S155 VanDerWaalsContact C-N 3.29Å; D153-S155 PolarHBondContact O-N 3.47Å; D153-S155 VanDerWaalsContact O-N 3.14Å |
| 156 | S | 50.8 | Low | 47.6 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -146.8 | 88.3 | 142 | 75.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 157 | D | 47 | Very low | 47.5 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -54.7 | 132.7 | 160.7 | -115.8 | -18.1 | 0 | 0 | 0 | 109.7 | | |
| 158 | K | 48.1 | Very low | 47.9 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | | | trans | 50 | 109.2 | 144.1 | -30.5 | -85.8 | 167.8 | 158.5 | 0 | 115.6 | | |
| 159 | N | 45.4 | Very low | 48.2 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | | 162.1 | 139.9 | 114 | -78.6 | -49.1 | 0 | 0 | 0 | 111.4 | | |
| 160 | L | 47.6 | Very low | 48.4 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | 92 | 146.2 | 162.9 | -47.1 | -178.7 | 0 | 0 | 0 | 117.6 | | |
| 161 | P | 48.3 | Very low | 48.6 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | | -104.8 | 165.8 | -83 | 26.1 | -10.1 | 0 | 0 | 0 | 110.8 | D163 | P161-D163 PolarHBondContact O-N 3.17Š|
| 162 | V | 49.6 | Very low | 49 | Very low | 134 Ų | 134 | 144 Ų | 144 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -69.4 | 74.5 | 175.6 | -176 | 0 | 0 | 0 | 0 | 109 | L164 | V162-L164 PolarHBondContact O-N 3.22Å; V162-L164 VanDerWaalsContact O-N 3.16Å |
| 163 | D | 47.6 | Very low | 49.1 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -71.1 | 104.3 | 156.7 | -85 | -26.8 | 0 | 0 | 0 | 106.3 | P161 | P161-D163 PolarHBondContact O-N 3.17Š|
| 164 | L | 48 | Very low | 49.4 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | trans | -44.1 | 127.1 | 167.5 | -72.5 | 157.2 | 0 | 0 | 0 | 107.8 | V162 S166 | V162-L164 PolarHBondContact O-N 3.22Å; V162-L164 VanDerWaalsContact O-N 3.16Å; L164-S166 VanDerWaalsContact C-N 3.29Å; L164-S166 PolarHBondContact O-N 2.81Å |
| 165 | P | 52.1 | Low | 50 | Low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | | | trans | -61 | 98.4 | 177.1 | 23.6 | -31.4 | 0 | 0 | 0 | 108.2 | R167 | P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.06Å |
| 166 | S | 48.9 | Very low | 50.4 | Low | 112 Ų | 112 | 140.3 Ų | 140.3 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | | | trans | -61.3 | 100.4 | 170.1 | -84.8 | 0 | 0 | 0 | 0 | 106.7 | L164 L168 | L164-S166 VanDerWaalsContact C-N 3.29Å; L164-S166 PolarHBondContact O-N 2.81Å; S166-L168 PolarHBondContact O-N 3.33Å |
| 167 | R | 44.9 | Very low | 50.8 | Low | 234 Ų | 234 | 138.4 Ų | 138.4 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | | | trans | 19.3 | 62.3 | 150 | -167.2 | 179.3 | 175.4 | 162.5 | -1.2 | 112.9 | P165 E169 | P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.06Å; R167-E169 PolarHBondContact O-N 2.94Å |
| 168 | L | 51 | Low | 51.8 | Low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | | | trans | -84.2 | 105.4 | 172.7 | -149.3 | 159 | 0 | 0 | 0 | 102.4 | S166 E170 | S166-L168 PolarHBondContact O-N 3.33Å; L168-E170 VanDerWaalsContact C-N 3.33Å; L168-E170 PolarHBondContact O-N 3.16Å |
| 169 | E | 48.9 | Very low | 52.8 | Low | 167 Ų | 167 | 135.6 Ų | 135.6 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | -35.7 | 104.3 | 173.6 | -61.8 | -166.5 | 155.9 | 0 | 0 | 107.8 | R167 K171 | R167-E169 PolarHBondContact O-N 2.94Å; E169-K171 PolarHBondContact O-N 3.01Å |
| 170 | E | 51.9 | Low | 54.3 | Low | 160 Ų | 160 | 132.7 Ų | 132.7 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | | | trans | -58.3 | 102.4 | 175.4 | -173.8 | 173.3 | -175 | 0 | 0 | 102.8 | L168 V172 | L168-E170 VanDerWaalsContact C-N 3.33Å; L168-E170 PolarHBondContact O-N 3.16Å; E170-V172 PolarHBondContact O-N 2.89Å |
| 171 | K | 53.6 | Low | 55.8 | Low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | | | trans | -43.2 | 98.8 | 146.1 | -89.5 | 175.1 | 167.9 | -178.4 | 0 | 103 | E169 A173 | E169-K171 PolarHBondContact O-N 3.01Å; K171-A173 PolarHBondContact O-N 3.24Å |
| 172 | V | 51.7 | Low | 57.8 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | | | trans | -64.6 | 73.1 | 160.4 | -172.1 | 0 | 0 | 0 | 0 | 102.5 | E170 D174 | E170-V172 PolarHBondContact O-N 2.89Å; V172-D174 PolarHBondContact O-N 3.38Å |
| 173 | A | 53.9 | Low | 59.8 | Low | 60 Ų | 60 | 127.1 Ų | 127.1 | 50% | 0.496 | 68% | 0.683 | S | S | . | * | | | trans | -54.2 | 125.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 102.2 | K171 I175 | K171-A173 PolarHBondContact O-N 3.24Å; A173-I175 HydrophobicContact CB-CG1 4.37Å; A173-I175 WeakPolarHBondContact O-CG1 3.22Å; A173-I175 PolarHBondContact O-N 2.91Å |
| 174 | D | 53.6 | Low | 61.9 | Low | 122 Ų | 122 | 126.6 Ų | 126.6 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | | | trans | -62.5 | 67.1 | 179.7 | -61.9 | -61.1 | 0 | 0 | 0 | 109.6 | V172 N176 S177 | V172-D174 PolarHBondContact O-N 3.38Å; D174-N176 PolarHBondContact O-N 2.92Å; D174-S177 PolarHBondContact O-N 3.46Å; D174-S177 PolarHBondContact O-OG 3.21Å |
| 175 | I | 59.6 | Low | 63.9 | Low | 134 Ų | 134 | 125.5 Ų | 125.5 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -16.8 | 177 | -61.9 | 156.5 | 0 | 0 | 0 | 109.3 | A173 | A173-I175 HydrophobicContact CB-CG1 4.37Å; A173-I175 WeakPolarHBondContact O-CG1 3.22Å; A173-I175 PolarHBondContact O-N 2.91Å |
| 176 | N | 56.9 | Low | 65.8 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.8 | -10.3 | 175.1 | -61.6 | -25 | 0 | 0 | 0 | 114.1 | D174 E178 D180 | D174-N176 PolarHBondContact O-N 2.92Å; N176-E178 PolarHBondContact O-N 3.09Å; N176-D180 WeakPolarHBondContact O-CB 3.43Å; N176-D180 PolarHBondContact O-N 2.65Å |
| 177 | S | 59.1 | Low | 67.8 | Low | 80 Ų | 80 | 124.8 Ų | 124.8 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.1 | -29.5 | -174.6 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | D174 S181 | D174-S177 PolarHBondContact O-N 3.46Å; D174-S177 PolarHBondContact O-OG 3.21Å; S177-S181 PolarHBondContact O-OG 3.35Å; S177-S181 VanDerWaalsContact O-OG 3.14Å |
| 178 | E | 68.1 | Low | 69.9 | Low | 165 Ų | 165 | 118.7 Ų | 118.7 | 77% | 0.771 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -93.7 | -39.4 | -177.9 | -164.2 | 143 | -159.5 | 0 | 0 | 112.6 | N176 D180 S181 | N176-E178 PolarHBondContact O-N 3.09Å; E178-D180 VanDerWaalsContact C-N 3.35Å; E178-D180 PolarHBondContact O-N 2.88Å; E178-S181 PolarHBondContact O-N 2.82Å |
| 179 | A | 69.2 | Low | 71.7 | Confident | 72 Ų | 72 | 117.9 Ų | 117.9 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -32.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 180 | D | 75.5 | Confident | 73.4 | Confident | 88 Ų | 88 | 115.8 Ų | 115.8 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -82.8 | -13.4 | 179.3 | -72.6 | -18 | 0 | 0 | 0 | 113.2 | N176 E178 L183 K184 | N176-D180 WeakPolarHBondContact O-CB 3.43Å; N176-D180 PolarHBondContact O-N 2.65Å; E178-D180 VanDerWaalsContact C-N 3.35Å; E178-D180 PolarHBondContact O-N 2.88Å; D180-L183 PolarHBondContact O-N 2.82Å; D180-K184 VanDerWaalsContact O-CB 3.32Å; D180-K184 WeakPolarHBondContact O-CB 3.49Å; D180-K184 PolarHBondContact O-N 3.41Å |
| 181 | S | 80.4 | Confident | 74.8 | Confident | 68 Ų | 68 | 113.4 Ų | 113.4 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -44.3 | 178.4 | -83.5 | 0 | 0 | 0 | 0 | 111.9 | S177 E178 L183 K184 E185 | S177-S181 PolarHBondContact O-OG 3.35Å; S177-S181 VanDerWaalsContact O-OG 3.14Å; E178-S181 PolarHBondContact O-N 2.82Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.36Å; S181-K184 PolarHBondContact O-N 2.93Å; S181-E185 PolarHBondContact O-N 3.44Å |
| 182 | D | 89.1 | Confident | 75.9 | Confident | 123 Ų | 123 | 108.2 Ų | 108.2 | 66% | 0.658 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -41.2 | 177.3 | -79.2 | 5.9 | 0 | 0 | 0 | 111.9 | W186 | D182-W186 WeakPolarHBondContact O-CB 3.48Å; D182-W186 PolarHBondContact O-N 3.14Å |
| 183 | L | 91.4 | Very high | 76.6 | Confident | 96 Ų | 96 | 111.2 Ų | 111.2 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -44.7 | 178 | 178.2 | 60.2 | 0 | 0 | 0 | 110.8 | D180 S181 W186 I187 | D180-L183 PolarHBondContact O-N 2.82Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.36Å; L183-W186 PolarHBondContact O-N 2.97Å; L183-I187 HydrophobicContact CD1-CD1 4.15Å; L183-I187 HydrophobicContact CD1-CG1 4.37Å; L183-I187 HydrophobicContact CG-CD1 4.04Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.23Å; L183-I187 PolarHBondContact O-N 3.11Å |
| 184 | K | 91.5 | Very high | 76.9 | Confident | 131 Ų | 131 | 112.7 Ų | 112.7 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -46.6 | 177.2 | -174.6 | -179.8 | 175.5 | -173.1 | 0 | 111.4 | D180 S181 W186 I187 E188 | D180-K184 VanDerWaalsContact O-CB 3.32Å; D180-K184 WeakPolarHBondContact O-CB 3.49Å; D180-K184 PolarHBondContact O-N 3.41Å; S181-K184 PolarHBondContact O-N 2.93Å; K184-W186 VanDerWaalsContact C-N 3.31Å; K184-W186 PolarHBondContact O-N 3.28Å; K184-I187 PolarHBondContact O-N 3.41Å; K184-E188 VanDerWaalsContact CE-OE1 3.23Å; K184-E188 WeakPolarHBondContact CE-OE1 3.32Å; K184-E188 WeakPolarHBondContact O-CG 3.13Å; K184-E188 PolarHBondContact O-N 3.48Å |
| 185 | E | 91.5 | Very high | 77.3 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.3 | -41.7 | 175.9 | -166.3 | -162.9 | 142.8 | 0 | 0 | 111 | S181 I187 E188 K189 | S181-E185 PolarHBondContact O-N 3.44Å; E185-I187 PolarHBondContact O-N 3.1Å; E185-E188 PolarHBondContact O-N 2.97Å; E185-K189 WeakPolarHBondContact O-CB 3.22Å; E185-K189 PolarHBondContact O-N 3.3Å |
| 186 | W | 91.7 | Very high | 77.2 | Confident | 150 Ų | 150 | 114.7 Ų | 114.7 | 57% | 0.568 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.5 | -43.6 | 177.7 | -175 | 93.6 | 0 | 0 | 0 | 112.5 | D182 L183 K184 K189 K190 | D182-W186 WeakPolarHBondContact O-CB 3.48Å; D182-W186 PolarHBondContact O-N 3.14Å; L183-W186 PolarHBondContact O-N 2.97Å; K184-W186 VanDerWaalsContact C-N 3.31Å; K184-W186 PolarHBondContact O-N 3.28Å; W186-K189 PolarHBondContact O-N 2.93Å; W186-K190 HydrophobicContact CD2-CG 4.03Å; W186-K190 HydrophobicContact CE3-CG 4.18Å; W186-K190 HydrophobicContact CH2-CG 4.15Å; W186-K190 HydrophobicContact CZ2-CD 4.38Å; W186-K190 HydrophobicContact CZ2-CG 4Å; W186-K190 HydrophobicContact CZ3-CG 4.23Å; W186-K190 WeakPolarHBondContact O-CB 3.36Å; W186-K190 VanDerWaalsContact O-CG 3.28Å; W186-K190 WeakPolarHBondContact O-CG 3.28Å; W186-K190 PolarHBondContact O-N 3.42Å |
| 187 | I | 90.2 | Very high | 77.1 | Confident | 76 Ų | 76 | 115.7 Ų | 115.7 | 39% | 0.39 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.4 | -52.1 | 176 | -68.6 | 169.3 | 0 | 0 | 0 | 109.4 | L183 K184 E185 K189 K190 H191 | L183-I187 HydrophobicContact CD1-CD1 4.15Å; L183-I187 HydrophobicContact CD1-CG1 4.37Å; L183-I187 HydrophobicContact CG-CD1 4.04Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.23Å; L183-I187 PolarHBondContact O-N 3.11Å; K184-I187 PolarHBondContact O-N 3.41Å; E185-I187 PolarHBondContact O-N 3.1Å; I187-K189 VanDerWaalsContact C-N 3.31Å; I187-K189 PolarHBondContact O-N 3.43Å; I187-K190 PolarHBondContact O-N 2.88Å; I187-K190 VanDerWaalsContact O-N 3.14Å; I187-H191 PolarHBondContact O-CD2 2.96Å; I187-H191 PolarHBondContact O-N 3.31Å |
| 188 | E | 89.5 | Confident | 76.9 | Confident | 106 Ų | 106 | 119.9 Ų | 119.9 | 50% | 0.495 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59 | -42.9 | 178.9 | -73.6 | -179.9 | -169.8 | 0 | 0 | 111.6 | K184 E185 K190 H191 S192 | K184-E188 VanDerWaalsContact CE-OE1 3.23Å; K184-E188 WeakPolarHBondContact CE-OE1 3.32Å; K184-E188 WeakPolarHBondContact O-CG 3.13Å; K184-E188 PolarHBondContact O-N 3.48Å; E185-E188 PolarHBondContact O-N 2.97Å; E188-K190 VanDerWaalsContact C-N 3.34Å; E188-K190 PolarHBondContact O-N 3.39Å; E188-H191 PolarHBondContact O-N 3.14Å; E188-S192 VanDerWaalsContact O-CB 3.22Å; E188-S192 WeakPolarHBondContact O-CB 3.28Å; E188-S192 PolarHBondContact O-N 3.23Å; E188-S192 PolarHBondContact O-OG 3.34Å |
| 189 | K | 88.9 | Confident | 76.4 | Confident | 143 Ų | 143 | 121.2 Ų | 121.2 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.8 | -34.9 | 177.1 | -175 | 173.1 | -173.9 | 167.5 | 0 | 113.2 | E185 W186 I187 | E185-K189 WeakPolarHBondContact O-CB 3.22Å; E185-K189 PolarHBondContact O-N 3.3Å; W186-K189 PolarHBondContact O-N 2.93Å; I187-K189 VanDerWaalsContact C-N 3.31Å; I187-K189 PolarHBondContact O-N 3.43Å |
| 190 | K | 85 | Confident | 75.9 | Confident | 122 Ų | 122 | 125 Ų | 125 | 53% | 0.53 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.4 | -39.9 | 176.4 | -72.8 | -64.5 | -176.1 | -179.7 | 0 | 112.4 | W186 I187 E188 | W186-K190 HydrophobicContact CD2-CG 4.03Å; W186-K190 HydrophobicContact CE3-CG 4.18Å; W186-K190 HydrophobicContact CH2-CG 4.15Å; W186-K190 HydrophobicContact CZ2-CD 4.38Å; W186-K190 HydrophobicContact CZ2-CG 4Å; W186-K190 HydrophobicContact CZ3-CG 4.23Å; W186-K190 WeakPolarHBondContact O-CB 3.36Å; W186-K190 VanDerWaalsContact O-CG 3.28Å; W186-K190 WeakPolarHBondContact O-CG 3.28Å; W186-K190 PolarHBondContact O-N 3.42Å; I187-K190 PolarHBondContact O-N 2.88Å; I187-K190 VanDerWaalsContact O-N 3.14Å; E188-K190 VanDerWaalsContact C-N 3.34Å; E188-K190 PolarHBondContact O-N 3.39Å |
| 191 | H | 80.7 | Confident | 74.7 | Confident | 111 Ų | 111 | 123.6 Ų | 123.6 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -88.3 | -17.7 | -176.5 | -65.6 | -70.4 | 0 | 0 | 0 | 114.1 | I187 E188 K193 N194 | I187-H191 PolarHBondContact O-CD2 2.96Å; I187-H191 PolarHBondContact O-N 3.31Å; E188-H191 PolarHBondContact O-N 3.14Å; H191-K193 PolarHBondContact O-N 2.97Å; H191-N194 PolarHBondContact O-N 3.28Å; H191-N194 VanDerWaalsContact O-N 3.09Å |
| 192 | S | 76 | Confident | 74.2 | Confident | 84 Ų | 84 | 123.5 Ų | 123.5 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -27.3 | 176.7 | -69.1 | 0 | 0 | 0 | 0 | 113.3 | E188 N194 | E188-S192 VanDerWaalsContact O-CB 3.22Å; E188-S192 WeakPolarHBondContact O-CB 3.28Å; E188-S192 PolarHBondContact O-N 3.23Å; E188-S192 PolarHBondContact O-OG 3.34Å; S192-N194 VanDerWaalsContact C-N 3.31Å; S192-N194 PolarHBondContact O-N 2.97Å |
| 193 | K | 66.1 | Low | 73.6 | Confident | 177 Ų | 177 | 121.7 Ų | 121.7 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -8.8 | 177.9 | -65.2 | -165.3 | 178.3 | -169.2 | 0 | 114.5 | H191 | H191-K193 PolarHBondContact O-N 2.97Š|
| 194 | N | 61.2 | Low | 73.1 | Confident | 90 Ų | 90 | 126.3 Ų | 126.3 | 48% | 0.481 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.9 | -11.7 | -173.3 | -88 | 2.8 | 0 | 0 | 0 | 114.8 | H191 S192 D196 Q197 E198 | H191-N194 PolarHBondContact O-N 3.28Å; H191-N194 VanDerWaalsContact O-N 3.09Å; S192-N194 VanDerWaalsContact C-N 3.31Å; S192-N194 PolarHBondContact O-N 2.97Å; N194-D196 VanDerWaalsContact C-N 3.29Å; N194-D196 PolarHBondContact O-N 3.46Å; N194-Q197 PolarHBondContact O-N 3.23Å; N194-Q197 VanDerWaalsContact O-N 3.16Å; N194-E198 PolarHBondContact O-N 3.15Å |
| 195 | K | 61 | Low | 72.2 | Confident | 160 Ų | 160 | 123.3 Ų | 123.3 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.1 | -29.4 | -176.5 | -69.2 | -149.9 | 176 | -173.4 | 0 | 113.8 | | |
| 196 | D | 58.6 | Low | 71.7 | Confident | 139 Ų | 139 | 120.2 Ų | 120.2 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.1 | -24.2 | 176.5 | -62.9 | -29.5 | 0 | 0 | 0 | 112.5 | N194 | N194-D196 VanDerWaalsContact C-N 3.29Å; N194-D196 PolarHBondContact O-N 3.46Å |
| 197 | Q | 54.8 | Low | 71.1 | Confident | 134 Ų | 134 | 117 Ų | 117 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -87.5 | -22.7 | 175.5 | -70.6 | -159.7 | -4.7 | 0 | 0 | 113.3 | N194 K199 L200 G201 | N194-Q197 PolarHBondContact O-N 3.23Å; N194-Q197 VanDerWaalsContact O-N 3.16Å; Q197-K199 PolarHBondContact O-N 2.67Å; Q197-L200 CarbonylContact O-C 3.52Å; Q197-L200 PolarHBondContact O-N 2.72Å; Q197-L200 VanDerWaalsContact O-N 3.08Å; Q197-G201 VanDerWaalsContact O-CA 3.22Å; Q197-G201 WeakPolarHBondContact O-CA 3.15Å; Q197-G201 PolarHBondContact O-N 3.42Å |
| 198 | E | 55.7 | Low | 70.5 | Confident | 167 Ų | 167 | 120.9 Ų | 120.9 | 78% | 0.78 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.6 | -27.1 | -178.7 | -147.4 | 172.8 | -157.6 | 0 | 0 | 112.5 | N194 | N194-E198 PolarHBondContact O-N 3.15Å |
| 199 | K | 57.2 | Low | 70 | Confident | 194 Ų | 194 | 122.5 Ų | 122.5 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -18.6 | 174.3 | -66.9 | -168.3 | 178.2 | -172.8 | 0 | 114.4 | Q197 | Q197-K199 PolarHBondContact O-N 2.67Š|
| 200 | L | 58.3 | Low | 69.6 | Low | 151 Ų | 151 | 118.9 Ų | 118.9 | 79% | 0.791 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -3.4 | -175 | -65 | 174.1 | 0 | 0 | 0 | 113.5 | Q197 G202 | Q197-L200 CarbonylContact O-C 3.52Å; Q197-L200 PolarHBondContact O-N 2.72Å; Q197-L200 VanDerWaalsContact O-N 3.08Å; L200-G202 PolarHBondContact O-N 3.06Å |
| 201 | G | 51.1 | Low | 69.3 | Low | 58 Ų | 58 | 120.9 Ų | 120.9 | 60% | 0.598 | 63% | 0.63 | S | S | * | * | | | trans | -88 | 1.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q197 A203 | Q197-G201 VanDerWaalsContact O-CA 3.22Å; Q197-G201 WeakPolarHBondContact O-CA 3.15Å; Q197-G201 PolarHBondContact O-N 3.42Å; G201-A203 PolarHBondContact O-N 3.03Å; G201-A203 VanDerWaalsContact O-N 3.17Å |
| 202 | G | 68.9 | Low | 69.1 | Low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -75.1 | 98 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | L200 Y204 | L200-G202 PolarHBondContact O-N 3.06Å; G202-Y204 PolarHBondContact O-N 3.43Å |
| 203 | A | 75.6 | Confident | 69 | Low | 85 Ų | 85 | 119.1 Ų | 119.1 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | | | trans | -48.3 | 122.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | G201 I205 | G201-A203 PolarHBondContact O-N 3.03Å; G201-A203 VanDerWaalsContact O-N 3.17Å; A203-I205 VanDerWaalsContact O-CG1 3.26Å; A203-I205 WeakPolarHBondContact O-CG1 3.39Å; A203-I205 PolarHBondContact O-N 3.35Å |
| 204 | Y | 81.3 | Confident | 69.6 | Low | 193 Ų | 193 | 116.4 Ų | 116.4 | 76% | 0.757 | 62% | 0.615 | S | S | * | * | | | trans | -54.3 | 109 | -179.9 | 170.7 | -102.4 | 0 | 0 | 0 | 108.7 | G202 P206 | G202-Y204 PolarHBondContact O-N 3.43Å; Y204-P206 HydrophobicContact CD1-CG 4.47Å; Y204-P206 HydrophobicContact CE1-CB 4.47Å; Y204-P206 HydrophobicContact CE1-CG 4.18Å; Y204-P206 WeakPolarHBondContact O-CD 3.37Å |
| 205 | I | 74 | Confident | 70.3 | Confident | 67 Ų | 67 | 114.8 Ų | 114.8 | 34% | 0.344 | 61% | 0.614 | S | S | . | * | | | trans | -90.7 | 114.7 | 175.7 | -53.8 | -174.9 | 0 | 0 | 0 | 105.9 | A203 K209 L210 M213 | A203-I205 VanDerWaalsContact O-CG1 3.26Å; A203-I205 WeakPolarHBondContact O-CG1 3.39Å; A203-I205 PolarHBondContact O-N 3.35Å; I205-K209 HydrophobicContact CG2-CB 3.52Å; I205-L210 HydrophobicContact CB-CD2 3.86Å; I205-L210 HydrophobicContact CB-CG 3.95Å; I205-L210 HydrophobicContact CD1-CD2 3.92Å; I205-L210 HydrophobicContact CG1-CD2 4.43Å; I205-L210 HydrophobicContact CG2-CD2 3.73Å; I205-L210 HydrophobicContact CG2-CG 3.68Å; I205-M213 HydrophobicContact CD1-CE 4.05Å |
| 206 | P | 79.3 | Confident | 70.6 | Confident | 51 Ų | 51 | 110.8 Ų | 110.8 | 33% | 0.331 | 61% | 0.606 | S | S | . | * | | | trans | -54.1 | 140.4 | 174.2 | -24.4 | 33.4 | 0 | 0 | 0 | 110.2 | Y204 M208 K209 L210 | Y204-P206 HydrophobicContact CD1-CG 4.47Å; Y204-P206 HydrophobicContact CE1-CB 4.47Å; Y204-P206 HydrophobicContact CE1-CG 4.18Å; Y204-P206 WeakPolarHBondContact O-CD 3.37Å; P206-M208 PolarHBondContact O-N 3.37Å; P206-K209 PolarHBondContact O-N 3.46Å; P206-L210 PolarHBondContact O-N 3.34Å |
| 207 | P | 79.3 | Confident | 71.2 | Confident | 81 Ų | 81 | 109.4 Ų | 109.4 | 53% | 0.526 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -55.9 | -26.9 | -172.6 | 16.9 | -30.1 | 0 | 0 | 0 | 114 | L210 K211 | P207-L210 PolarHBondContact O-N 2.9Å; P207-K211 PolarHBondContact O-N 3.43Å; P207-K211 VanDerWaalsContact O-N 3.15Å |
| 208 | M | 77.5 | Confident | 71.7 | Confident | 159 Ų | 159 | 107.8 Ų | 107.8 | 78% | 0.783 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66 | -38.4 | 174 | -67.6 | -176.6 | 66.5 | 0 | 0 | 113.3 | P206 K211 A212 | P206-M208 PolarHBondContact O-N 3.37Å; M208-K211 PolarHBondContact O-N 3.41Å; M208-A212 PolarHBondContact O-N 3.39Å |
| 209 | K | 79.3 | Confident | 72 | Confident | 140 Ų | 140 | 104.4 Ų | 104.4 | 61% | 0.609 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.5 | -35.6 | 176.5 | -74.7 | -170.5 | -176.1 | 178.6 | 0 | 111.3 | I205 P206 A212 M213 | I205-K209 HydrophobicContact CG2-CB 3.52Å; P206-K209 PolarHBondContact O-N 3.46Å; K209-A212 PolarHBondContact O-N 2.66Å; K209-M213 WeakPolarHBondContact O-CB 3.47Å; K209-M213 PolarHBondContact O-N 3.01Å |
| 210 | L | 80.6 | Confident | 72.2 | Confident | 67 Ų | 67 | 103.3 Ų | 103.3 | 35% | 0.351 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.5 | -47.1 | 173.3 | -70.1 | 174.9 | 0 | 0 | 0 | 111.2 | I205 P206 P207 A212 M213 H214 | I205-L210 HydrophobicContact CB-CD2 3.86Å; I205-L210 HydrophobicContact CB-CG 3.95Å; I205-L210 HydrophobicContact CD1-CD2 3.92Å; I205-L210 HydrophobicContact CG1-CD2 4.43Å; I205-L210 HydrophobicContact CG2-CD2 3.73Å; I205-L210 HydrophobicContact CG2-CG 3.68Å; P206-L210 PolarHBondContact O-N 3.34Å; P207-L210 PolarHBondContact O-N 2.9Å; L210-A212 PolarHBondContact O-N 3.05Å; L210-M213 WeakPolarHBondContact O-CB 3.43Å; L210-M213 PolarHBondContact O-N 3.43Å; L210-M213 VanDerWaalsContact O-N 3.16Å; L210-H214 PolarHBondContact O-CD2 3.31Å; L210-H214 PolarHBondContact O-N 2.77Å |
| 211 | K | 79.6 | Confident | 72.2 | Confident | 164 Ų | 164 | 102.9 Ų | 102.9 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.3 | -44.1 | 177.4 | -74.3 | -176 | 179 | -176.7 | 0 | 112.9 | P207 M208 M213 H214 A215 | P207-K211 PolarHBondContact O-N 3.43Å; P207-K211 VanDerWaalsContact O-N 3.15Å; M208-K211 PolarHBondContact O-N 3.41Å; K211-M213 VanDerWaalsContact C-N 3.34Å; K211-H214 PolarHBondContact O-N 2.79Å; K211-A215 WeakPolarHBondContact O-CB 3.33Å; K211-A215 PolarHBondContact O-N 2.63Å |
| 212 | A | 76.8 | Confident | 72.4 | Confident | 65 Ų | 65 | 109.9 Ų | 109.9 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.1 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M208 K209 L210 A215 S216 | M208-A212 PolarHBondContact O-N 3.39Å; K209-A212 PolarHBondContact O-N 2.66Å; L210-A212 PolarHBondContact O-N 3.05Å; A212-A215 PolarHBondContact O-N 3.48Å; A212-S216 PolarHBondContact O-N 3.05Å; A212-S216 VanDerWaalsContact O-N 3.1Å |
| 213 | M | 73.7 | Confident | 71.8 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 46% | 0.458 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -46.5 | 176.2 | -166.4 | -176.5 | -55 | 0 | 0 | 111.5 | I205 K209 L210 K211 A215 S216 I217 | I205-M213 HydrophobicContact CD1-CE 4.05Å; K209-M213 WeakPolarHBondContact O-CB 3.47Å; K209-M213 PolarHBondContact O-N 3.01Å; L210-M213 WeakPolarHBondContact O-CB 3.43Å; L210-M213 PolarHBondContact O-N 3.43Å; L210-M213 VanDerWaalsContact O-N 3.16Å; K211-M213 VanDerWaalsContact C-N 3.34Å; M213-A215 PolarHBondContact O-N 3.38Å; M213-S216 PolarHBondContact O-N 3.22Å; M213-S216 PolarHBondContact O-OG 3.29Å; M213-I217 WeakPolarHBondContact O-CG1 3.36Å; M213-I217 PolarHBondContact O-N 2.71Å |
| 214 | H | 79 | Confident | 70.3 | Confident | 119 Ų | 119 | 120 Ų | 120 | 55% | 0.551 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.5 | -43.6 | 175.7 | -74.9 | -67.1 | 0 | 0 | 0 | 112.4 | L210 K211 S216 I217 T218 | L210-H214 PolarHBondContact O-CD2 3.31Å; L210-H214 PolarHBondContact O-N 2.77Å; K211-H214 PolarHBondContact O-N 2.79Å; H214-S216 VanDerWaalsContact C-N 3.28Å; H214-S216 PolarHBondContact O-N 3.11Å; H214-I217 PolarHBondContact O-N 2.9Å; H214-I217 VanDerWaalsContact O-N 3.13Å; H214-T218 PolarHBondContact O-N 3.16Å; H214-T218 VanDerWaalsContact O-N 3.07Å; H214-T218 PolarHBondContact O-OG1 2.77Å; H214-T218 VanDerWaalsContact O-OG1 3.13Å |
| 215 | A | 74.1 | Confident | 68.5 | Low | 56 Ų | 56 | 120.9 Ų | 120.9 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | K211 A212 M213 I217 T218 D219 | K211-A215 WeakPolarHBondContact O-CB 3.33Å; K211-A215 PolarHBondContact O-N 2.63Å; A212-A215 PolarHBondContact O-N 3.48Å; M213-A215 PolarHBondContact O-N 3.38Å; A215-I217 VanDerWaalsContact C-N 3.29Å; A215-I217 PolarHBondContact O-N 3.16Å; A215-T218 PolarHBondContact O-N 3.41Å; A215-T218 PolarHBondContact O-OG1 3.45Å; A215-D219 PolarHBondContact O-N 2.99Å; A215-D219 VanDerWaalsContact O-N 3.12Å |
| 216 | S | 67.6 | Low | 68.2 | Low | 76 Ų | 76 | 123.6 Ų | 123.6 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.5 | -26.4 | 178.5 | 76.6 | 0 | 0 | 0 | 0 | 114.3 | A212 M213 H214 | A212-S216 PolarHBondContact O-N 3.05Å; A212-S216 VanDerWaalsContact O-N 3.1Å; M213-S216 PolarHBondContact O-N 3.22Å; M213-S216 PolarHBondContact O-OG 3.29Å; H214-S216 VanDerWaalsContact C-N 3.28Å; H214-S216 PolarHBondContact O-N 3.11Å |
| 217 | I | 71.5 | Confident | 67.6 | Low | 110 Ų | 110 | 127.4 Ų | 127.4 | 56% | 0.564 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.8 | -43 | 176.1 | -63.8 | 165.7 | 0 | 0 | 0 | 110 | M213 H214 A215 D219 | M213-I217 WeakPolarHBondContact O-CG1 3.36Å; M213-I217 PolarHBondContact O-N 2.71Å; H214-I217 PolarHBondContact O-N 2.9Å; H214-I217 VanDerWaalsContact O-N 3.13Å; A215-I217 VanDerWaalsContact C-N 3.29Å; A215-I217 PolarHBondContact O-N 3.16Å; I217-D219 PolarHBondContact O-N 2.71Å |
| 218 | T | 65.9 | Low | 67 | Low | 100 Ų | 100 | 130 Ų | 130 | 61% | 0.613 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.2 | -18.8 | -175.6 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | H214 A215 K220 N221 | H214-T218 PolarHBondContact O-N 3.16Å; H214-T218 VanDerWaalsContact O-N 3.07Å; H214-T218 PolarHBondContact O-OG1 2.77Å; H214-T218 VanDerWaalsContact O-OG1 3.13Å; A215-T218 PolarHBondContact O-N 3.41Å; A215-T218 PolarHBondContact O-OG1 3.45Å; T218-K220 PolarHBondContact O-N 3.13Å; T218-K220 VanDerWaalsContact O-N 3.16Å; T218-N221 PolarHBondContact O-N 3.32Å |
| 219 | D | 62.6 | Low | 66.4 | Low | 96 Ų | 96 | 128.3 Ų | 128.3 | 51% | 0.513 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -68.8 | -11.6 | -178.7 | -155.5 | 20.8 | 0 | 0 | 0 | 113.5 | A215 I217 N221 | A215-D219 PolarHBondContact O-N 2.99Å; A215-D219 VanDerWaalsContact O-N 3.12Å; I217-D219 PolarHBondContact O-N 2.71Å; D219-N221 VanDerWaalsContact C-N 3.32Å; D219-N221 PolarHBondContact O-N 3.14Å |
| 220 | K | 61.2 | Low | 65.5 | Low | 171 Ų | 171 | 127.6 Ų | 127.6 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -76.9 | -13.1 | 177.4 | -65.4 | -171.5 | 179 | -178.7 | 0 | 114.7 | T218 | T218-K220 PolarHBondContact O-N 3.13Å; T218-K220 VanDerWaalsContact O-N 3.16Å |
| 221 | N | 57.2 | Low | 64.5 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -97.8 | 7.6 | -180 | -76.1 | 3.8 | 0 | 0 | 0 | 114.2 | T218 D219 Y223 | T218-N221 PolarHBondContact O-N 3.32Å; D219-N221 VanDerWaalsContact C-N 3.32Å; D219-N221 PolarHBondContact O-N 3.14Å; N221-Y223 VanDerWaalsContact C-N 3.34Å |
| 222 | R | 56.3 | Low | 63.5 | Low | 206 Ų | 206 | 129.3 Ų | 129.3 | 78% | 0.777 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -5.6 | 176 | -90.1 | -171.2 | -163.6 | -178.1 | 9.2 | 115.5 | | |
| 223 | Y | 55.7 | Low | 62.4 | Low | 200 Ų | 200 | 134.2 Ų | 134.2 | 78% | 0.784 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 15.8 | -175 | -68.2 | -74.2 | 0 | 0 | 0 | 115 | N221 | N221-Y223 VanDerWaalsContact C-N 3.34Š|
| 224 | H | 43.2 | Very low | 61.5 | Low | 165 Ų | 165 | 137.7 Ų | 137.7 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | | | trans | -136.3 | 119.1 | 168.3 | -79.4 | -65.6 | 0 | 0 | 0 | 110.8 | | |
| 225 | C | 43.8 | Very low | 59.9 | Low | 211 Ų | 211 | 139.4 Ų | 139.4 | 100% | 1.426 | 72% | 0.722 | S | S | * | * | | | trans | 86 | 0 | 172.9 | -54.4 | 0 | 0 | 0 | 0 | 115.9 | | |