| 1 | M | 49.7 | Very low | 58.5 | Low | 213 Ų | 213 | 129.7 Ų | 129.7 | 100% | 1.049 | 67% | 0.667 | S | S | * | * | | | | 0 | -41.4 | 0 | -62.3 | -175.9 | -172.3 | 0 | 0 | 114.5 | T4 | M1-T4 PolarHBondContact O-OG1 3.34Š|
| 2 | R | 48.8 | Very low | 59.3 | Low | 238 Ų | 238 | 127.8 Ų | 127.8 | 90% | 0.898 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.3 | -37.4 | 179.6 | -82.3 | -177.1 | 169.7 | 169.7 | -3.7 | 114.9 | T4 L5 | R2-T4 PolarHBondContact O-N 3.06Å; R2-L5 PolarHBondContact O-N 3.06Å |
| 3 | A | 48 | Very low | 59.6 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.6 | -21.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | L5 T6 | A3-L5 VanDerWaalsContact C-N 3.33Å; A3-T6 PolarHBondContact O-OG1 3.15Å; A3-T6 VanDerWaalsContact O-OG1 3.09Å |
| 4 | T | 52.8 | Low | 59.3 | Low | 100 Ų | 100 | 119.4 Ų | 119.4 | 61% | 0.613 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.4 | -26.7 | 176.9 | 42.5 | 0 | 0 | 0 | 0 | 112.2 | M1 R2 T8 | M1-T4 PolarHBondContact O-OG1 3.34Å; R2-T4 PolarHBondContact O-N 3.06Å; T4-T8 PolarHBondContact O-N 2.94Å; T4-T8 PolarHBondContact O-OG1 3.46Å |
| 5 | L | 55.2 | Low | 59.4 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 67% | 0.665 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.3 | -25.1 | -173.9 | -156.7 | 134.8 | 0 | 0 | 0 | 112.9 | R2 A3 T8 W9 | R2-L5 PolarHBondContact O-N 3.06Å; A3-L5 VanDerWaalsContact C-N 3.33Å; L5-T8 PolarHBondContact O-OG1 2.78Å; L5-W9 PolarHBondContact O-N 2.75Å |
| 6 | T | 61.7 | Low | 59.3 | Low | 89 Ų | 89 | 116.2 Ų | 116.2 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.8 | -38.4 | 171.6 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | A3 W9 L10 | A3-T6 PolarHBondContact O-OG1 3.15Å; A3-T6 VanDerWaalsContact O-OG1 3.09Å; T6-W9 PolarHBondContact O-N 2.69Å; T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 2.86Å |
| 7 | V | 64.2 | Low | 58.6 | Low | 84 Ų | 84 | 114.7 Ų | 114.7 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -43.6 | 179.4 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | W9 L10 L11 | V7-W9 PolarHBondContact O-N 3.44Å; V7-L10 PolarHBondContact O-N 3.45Å; V7-L11 HydrophobicContact CG1-CD1 4.08Å; V7-L11 WeakPolarHBondContact O-CG 3.32Å; V7-L11 PolarHBondContact O-N 3.43Å |
| 8 | T | 66.9 | Low | 58 | Low | 89 Ų | 89 | 113.3 Ų | 113.3 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.1 | -37.5 | 176 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | T4 L5 L12 | T4-T8 PolarHBondContact O-N 2.94Å; T4-T8 PolarHBondContact O-OG1 3.46Å; L5-T8 PolarHBondContact O-OG1 2.78Å; T8-L12 WeakPolarHBondContact O-CB 3.2Å; T8-L12 PolarHBondContact O-N 3.39Å |
| 9 | W | 66.5 | Low | 57.3 | Low | 188 Ų | 188 | 115.9 Ų | 115.9 | 71% | 0.712 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.2 | -38.2 | 175.8 | -163.4 | 65.6 | 0 | 0 | 0 | 112.4 | L5 T6 V7 L12 S13 | L5-W9 PolarHBondContact O-N 2.75Å; T6-W9 PolarHBondContact O-N 2.69Å; V7-W9 PolarHBondContact O-N 3.44Å; W9-L12 PolarHBondContact O-N 3.29Å; W9-S13 PolarHBondContact O-N 3Å; W9-S13 PolarHBondContact O-OG 3.29Å |
| 10 | L | 64.6 | Low | 56.6 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 58% | 0.576 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.8 | -43.2 | 177.9 | -142.8 | 144.4 | 0 | 0 | 0 | 111.4 | T6 V7 S13 L14 | T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 2.86Å; V7-L10 PolarHBondContact O-N 3.45Å; L10-S13 WeakPolarHBondContact O-CB 3.46Å; L10-S13 PolarHBondContact O-N 3.4Å; L10-L14 HydrophobicContact CD2-CD1 3.85Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 PolarHBondContact O-N 3.42Å; L10-L14 VanDerWaalsContact O-N 3.1Å |
| 11 | L | 65.5 | Low | 56 | Low | 114 Ų | 114 | 114.6 Ų | 114.6 | 60% | 0.597 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.8 | -42.2 | 173.5 | -70.9 | 170 | 0 | 0 | 0 | 112.4 | V7 S13 L14 S15 | V7-L11 HydrophobicContact CG1-CD1 4.08Å; V7-L11 WeakPolarHBondContact O-CG 3.32Å; V7-L11 PolarHBondContact O-N 3.43Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 3.23Å; L11-L14 PolarHBondContact O-N 3.06Å; L11-S15 PolarHBondContact O-N 2.95Å |
| 12 | L | 68.1 | Low | 55.6 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.6 | -37.1 | 176.1 | -162.8 | 71.2 | 0 | 0 | 0 | 111.7 | T8 W9 S15 I16 | T8-L12 WeakPolarHBondContact O-CB 3.2Å; T8-L12 PolarHBondContact O-N 3.39Å; W9-L12 PolarHBondContact O-N 3.29Å; L12-S15 WeakPolarHBondContact O-CB 3.29Å; L12-S15 PolarHBondContact O-N 3.09Å; L12-I16 HydrophobicContact CG-CD1 4.38Å; L12-I16 WeakPolarHBondContact O-CG1 3.35Å; L12-I16 PolarHBondContact O-N 3.41Å; L12-I16 VanDerWaalsContact O-N 3.1Å |
| 13 | S | 62.8 | Low | 55 | Low | 44 Ų | 44 | 103 Ų | 103 | 31% | 0.308 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.3 | -44.7 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | W9 L10 L11 S15 I16 C17 | W9-S13 PolarHBondContact O-N 3Å; W9-S13 PolarHBondContact O-OG 3.29Å; L10-S13 WeakPolarHBondContact O-CB 3.46Å; L10-S13 PolarHBondContact O-N 3.4Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 3.23Å; S13-S15 VanDerWaalsContact C-N 3.31Å; S13-S15 PolarHBondContact O-N 3.42Å; S13-I16 PolarHBondContact O-N 3.31Å; S13-C17 PolarHBondContact O-N 3.42Å; S13-C17 VanDerWaalsContact O-N 3.09Å; S13-C17 PolarHBondContact O-SG 3.47Å |
| 14 | L | 56 | Low | 54.4 | Low | 95 Ų | 95 | 104.2 Ų | 104.2 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.7 | -34.6 | 175.9 | -88.4 | 78.8 | 0 | 0 | 0 | 112.4 | L10 L11 C17 S18 | L10-L14 HydrophobicContact CD2-CD1 3.85Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 PolarHBondContact O-N 3.42Å; L10-L14 VanDerWaalsContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 3.06Å; L14-C17 PolarHBondContact O-N 2.82Å; L14-S18 PolarHBondContact O-N 3.16Å; L14-S18 PolarHBondContact O-OG 2.81Å |
| 15 | S | 60.7 | Low | 53.7 | Low | 70 Ų | 70 | 106.3 Ų | 106.3 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.9 | -47.2 | 174.6 | -160.4 | 0 | 0 | 0 | 0 | 111.3 | L11 L12 S13 C17 S18 | L11-S15 PolarHBondContact O-N 2.95Å; L12-S15 WeakPolarHBondContact O-CB 3.29Å; L12-S15 PolarHBondContact O-N 3.09Å; S13-S15 VanDerWaalsContact C-N 3.31Å; S13-S15 PolarHBondContact O-N 3.42Å; S15-C17 VanDerWaalsContact C-N 3.31Å; S15-C17 PolarHBondContact O-N 3.19Å; S15-S18 WeakPolarHBondContact O-CB 3.44Å; S15-S18 PolarHBondContact O-N 3.15Å |
| 16 | I | 57.9 | Low | 52.7 | Low | 117 Ų | 117 | 106.1 Ų | 106.1 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65 | -35.2 | -180 | -65.9 | 163.2 | 0 | 0 | 0 | 111.5 | L12 S13 S18 | L12-I16 HydrophobicContact CG-CD1 4.38Å; L12-I16 WeakPolarHBondContact O-CG1 3.35Å; L12-I16 PolarHBondContact O-N 3.41Å; L12-I16 VanDerWaalsContact O-N 3.1Å; S13-I16 PolarHBondContact O-N 3.31Å; I16-S18 PolarHBondContact O-N 3.38Å |
| 17 | C | 46.3 | Very low | 51.5 | Low | 91 Ų | 91 | 111.5 Ų | 111.5 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.7 | -18.3 | 173.7 | -69.4 | 0 | 0 | 0 | 0 | 114.3 | S13 L14 S15 | S13-C17 PolarHBondContact O-N 3.42Å; S13-C17 VanDerWaalsContact O-N 3.09Å; S13-C17 PolarHBondContact O-SG 3.47Å; L14-C17 PolarHBondContact O-N 2.82Å; S15-C17 VanDerWaalsContact C-N 3.31Å; S15-C17 PolarHBondContact O-N 3.19Å |
| 18 | S | 48.5 | Very low | 50.2 | Low | 89 Ų | 89 | 113.3 Ų | 113.3 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -83.4 | -30.3 | 179.9 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | L14 S15 I16 S20 | L14-S18 PolarHBondContact O-N 3.16Å; L14-S18 PolarHBondContact O-OG 2.81Å; S15-S18 WeakPolarHBondContact O-CB 3.44Å; S15-S18 PolarHBondContact O-N 3.15Å; I16-S18 PolarHBondContact O-N 3.38Å; S18-S20 PolarHBondContact O-N 3.49Å |
| 19 | E | 45.5 | Very low | 48.5 | Very low | 164 Ų | 164 | 116.4 Ų | 116.4 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.9 | -25.6 | -175.8 | -147.8 | 94.7 | 154.9 | 0 | 0 | 113.5 | S21 | E19-S21 VanDerWaalsContact C-N 3.31Å; E19-S21 PolarHBondContact O-N 3.36Å |
| 20 | S | 43.3 | Very low | 47 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 2 | -166.1 | 72.8 | 0 | 0 | 0 | 0 | 116.1 | S18 | S18-S20 PolarHBondContact O-N 3.49Š|
| 21 | S | 43 | Very low | 45.5 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -2.6 | -177.9 | -63.9 | 0 | 0 | 0 | 0 | 114.6 | E19 V23 | E19-S21 VanDerWaalsContact C-N 3.31Å; E19-S21 PolarHBondContact O-N 3.36Å; S21-V23 VanDerWaalsContact C-N 3.33Å; S21-V23 PolarHBondContact O-N 2.86Å |
| 22 | G | 41.2 | Very low | 44 | Very low | 71 Ų | 71 | 115.7 Ų | 115.7 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | | | trans | -80.1 | 59.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S24 | G22-S24 PolarHBondContact O-N 2.88Š|
| 23 | V | 35.6 | Very low | 42.6 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | | | trans | -76.9 | 87.5 | 175.9 | 69.8 | 0 | 0 | 0 | 0 | 111.5 | S21 | S21-V23 VanDerWaalsContact C-N 3.33Å; S21-V23 PolarHBondContact O-N 2.86Å |
| 24 | S | 35.4 | Very low | 42.1 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | -86.9 | 115.6 | 178.1 | -165.2 | 0 | 0 | 0 | 0 | 111.3 | G22 T26 | G22-S24 PolarHBondContact O-N 2.88Å; S24-T26 PolarHBondContact O-N 3.26Å; S24-T26 VanDerWaalsContact O-N 3.1Å |
| 25 | T | 37.9 | Very low | 40.9 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | -82.3 | 83.8 | -176.3 | -12.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 26 | T | 35.6 | Very low | 39.6 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -112.1 | 133.6 | 166.5 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | S24 | S24-T26 PolarHBondContact O-N 3.26Å; S24-T26 VanDerWaalsContact O-N 3.1Å |
| 27 | K | 35.1 | Very low | 38.4 | Very low | 201 Ų | 201 | 126.2 Ų | 126.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -80.7 | 138.2 | -178.9 | -158.6 | 179.4 | -175.6 | -171.9 | 0 | 108.8 | | |
| 28 | P | 38.3 | Very low | 37.8 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | trans | -72.1 | 143.7 | 176.2 | 30.5 | -34.6 | 0 | 0 | 0 | 110.8 | | |
| 29 | D | 31.8 | Very low | 36.9 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -125.3 | 157.1 | 157.5 | -155.6 | -14.3 | 0 | 0 | 0 | 107.4 | | |
| 30 | E | 34.4 | Very low | 36.4 | Very low | 187 Ų | 187 | 126.3 Ų | 126.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -71.1 | 151 | -168.3 | -70.2 | -169.9 | 87.3 | 0 | 0 | 113.3 | | |
| 31 | T | 31.8 | Very low | 35.7 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -141.4 | 118.2 | 167.2 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 32 | G | 35.6 | Very low | 35.3 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -66.4 | 162.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 33 | K | 37.9 | Very low | 34.8 | Very low | 208 Ų | 208 | 129 Ų | 129 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -67.4 | 170.5 | -179.4 | -111.8 | -149.2 | 164.2 | -179.5 | 0 | 113.2 | | |
| 34 | P | 52.1 | Low | 34.6 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | trans | -106.8 | 179 | -141.6 | 41.9 | -39 | 0 | 0 | 0 | 114.9 | | |
| 35 | T | 32.1 | Very low | 34.5 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | -146.3 | 152.5 | 154.1 | -71.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 36 | S | 33.4 | Very low | 34.3 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -97.1 | 160.9 | -172.4 | -52.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 37 | A | 32.4 | Very low | 34.2 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | 79.8 | 131.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 38 | S | 32.6 | Very low | 34.6 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | 78.1 | 92.8 | 135.2 | -62.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 39 | T | 31.2 | Very low | 34.1 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | | 75.2 | 147.8 | 117.8 | -20.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 40 | V | 33 | Very low | 34.2 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | 74.8 | 112 | 156.3 | -105 | 0 | 0 | 0 | 0 | 123.4 | | |
| 41 | T | 30.2 | Very low | 34 | Very low | 122 Ų | 122 | 119.2 Ų | 119.2 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | 72.7 | 132.6 | 136 | 34.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 42 | S | 33 | Very low | 34.1 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 77.4 | 94.6 | 134.4 | -60.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 43 | A | 32.6 | Very low | 33.9 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | | 24.7 | 127.1 | 125.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 44 | S | 29.6 | Very low | 33.6 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | | -168.3 | 156.3 | 100.1 | -163.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 45 | I | 35.1 | Very low | 32.8 | Very low | 147 Ų | 147 | 119 Ų | 119 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -57.7 | 140.6 | 173 | -50.6 | 163.2 | 0 | 0 | 0 | 111.7 | | |
| 46 | I | 32.2 | Very low | 33 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | | 178.3 | 146.5 | 129 | -93.3 | 159 | 0 | 0 | 0 | 111.4 | | |
| 47 | A | 34.6 | Very low | 32.9 | Very low | 85 Ų | 85 | 118.6 Ų | 118.6 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | -90.5 | -162 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 48 | P | 43.8 | Very low | 33 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | cis | -135.4 | -150.9 | 1 | 44 | -23.7 | 0 | 0 | 0 | 112.4 | | |
| 49 | G | 27.4 | Very low | 32.9 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | 134.4 | 71.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 50 | S | 33.2 | Very low | 33.7 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -92.4 | 111.4 | 171.8 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 51 | T | 30.6 | Very low | 33.6 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | trans | -169.1 | 150.1 | 168.7 | 14.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 52 | K | 34.3 | Very low | 33.8 | Very low | 179 Ų | 179 | 121.4 Ų | 121.4 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | | | cis | -166.8 | 156.9 | 0.1 | -156.4 | 175 | -175.5 | 177.7 | 0 | 109.4 | | |
| 53 | S | 30.7 | Very low | 33.9 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | trans | 67.3 | 156.7 | 148.3 | -94.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 54 | S | 32.7 | Very low | 33.9 | Very low | 80 Ų | 80 | 125 Ų | 125 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | | | cis | -171.4 | 171.1 | -9.3 | -123.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 55 | H | 34.8 | Very low | 34 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 73% | 0.731 | 74% | 0.735 | S | S | * | * | | | trans | 65.7 | 141.7 | 150.9 | -70.5 | -62.5 | 0 | 0 | 0 | 118.7 | | |
| 56 | E | 35 | Very low | 33.8 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | cis | -160.7 | 145 | -10.4 | -179.2 | 159.2 | 131.5 | 0 | 0 | 113.7 | | |
| 57 | S | 31.2 | Very low | 33.9 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | | | trans | 20.7 | 140.2 | 145.8 | -141.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 58 | K | 35 | Very low | 33.7 | Very low | 190 Ų | 190 | 125.4 Ų | 125.4 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | | | | -158.6 | 148.7 | 59.6 | -81.1 | 174.2 | 179.6 | 169.7 | 0 | 116.3 | | |
| 59 | K | 31.9 | Very low | 33 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 61% | 0.609 | 73% | 0.726 | S | S | * | * | | | trans | -80.7 | 164.7 | 160.1 | -144.3 | -152.8 | 176.8 | -159.4 | 0 | 109.7 | T61 S62 | K59-T61 VanDerWaalsContact CE-N 3.31Å; K59-T61 PolarHBondContact NZ-OG1 3.48Å; K59-S62 PolarHBondContact NZ-OG 2.7Å |
| 60 | P | 46.3 | Very low | 33.4 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | | -128 | 141.1 | 70.2 | 0.8 | 24.6 | 0 | 0 | 0 | 114.1 | | |
| 61 | T | 31.9 | Very low | 34.4 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | | | | 92.8 | 110 | 83.5 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | K59 | K59-T61 VanDerWaalsContact CE-N 3.31Å; K59-T61 PolarHBondContact NZ-OG1 3.48Å |
| 62 | S | 34.4 | Very low | 34.5 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 49% | 0.49 | 73% | 0.726 | S | S | . | * | | | | 73.5 | 142 | 72.2 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | K59 | K59-S62 PolarHBondContact NZ-OG 2.7Š|
| 63 | E | 33.8 | Very low | 34.4 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | | | cis | -159 | -175.1 | -5.3 | -127.1 | 154.9 | 110.2 | 0 | 0 | 112.3 | | |
| 64 | A | 33.7 | Very low | 34.5 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | | | trans | -84.6 | 166 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 65 | A | 31.3 | Very low | 34.5 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | -156.3 | 164.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 66 | T | 32.1 | Very low | 34.7 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | -144.6 | 175.4 | -167.2 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 67 | I | 33.8 | Very low | 34.6 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | | | trans | 125.9 | 143.4 | 146.1 | -62.4 | -64.2 | 0 | 0 | 0 | 118.2 | | |
| 68 | Q | 29.6 | Very low | 35.2 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | 74.3 | 129.9 | 166.2 | -80.6 | 158.1 | 30.7 | 0 | 0 | 119 | | |
| 69 | Q | 29.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | cis | 93.6 | 121.9 | 48.1 | -73.7 | 172.3 | 12.6 | 0 | 0 | 112.3 | | |
| 70 | Q | 35.2 | Very low | 36.4 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | | 74.3 | 133 | 66.1 | -166.7 | 171.1 | 17.6 | 0 | 0 | 111.9 | | |
| 71 | P | 54.4 | Low | 35.9 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | cis | -121.8 | -150.5 | 47 | 23.5 | 3.6 | 0 | 0 | 0 | 114 | | |
| 72 | T | 32.9 | Very low | 36 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | | | cis | -154.2 | -141.5 | 19 | -33.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 73 | T | 32.3 | Very low | 36 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | -152.5 | 159.1 | -152.8 | -38.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 74 | V | 33.2 | Very low | 36.1 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 164.4 | 114.1 | 140.2 | 152.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 75 | T | 32.7 | Very low | 36.1 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | | 74.8 | 128.1 | 66.3 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 76 | N | 37.8 | Very low | 36.2 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | cis | -162.8 | 179.7 | 27.9 | -151.1 | 1.6 | 0 | 0 | 0 | 115.5 | | |
| 77 | N | 33.5 | Very low | 36.2 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | 110 | 138.1 | 149.5 | -63.3 | -13.3 | 0 | 0 | 0 | 122.2 | | |
| 78 | L | 43.7 | Very low | 36.2 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | -113.9 | -178.6 | 178.1 | -154 | 37.9 | 0 | 0 | 0 | 106.5 | | |
| 79 | P | 56.8 | Low | 36.3 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | cis | -152.1 | 154.9 | 26.2 | 41.8 | -18.2 | 0 | 0 | 0 | 122.8 | | |
| 80 | T | 35.3 | Very low | 36.4 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | 58.3 | 137.5 | 131.1 | -45.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 81 | V | 35.8 | Very low | 36.4 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | | -169.7 | 130.7 | 81.8 | 161.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 82 | A | 33.9 | Very low | 35.5 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | 48.4 | 157.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 83 | A | 35.3 | Very low | 35.5 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | cis | -175 | 157.6 | -28.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 84 | A | 35.4 | Very low | 35.5 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | | | trans | 60.3 | 151.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 85 | N | 33.4 | Very low | 35.5 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | cis | -155.9 | 147.4 | -16.5 | -94.8 | -12.4 | 0 | 0 | 0 | 106.7 | | |
| 86 | T | 32.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | | 52.2 | 133.2 | 82.8 | -3.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 87 | T | 33.7 | Very low | 35.5 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | cis | -162.6 | 150.9 | 28.1 | -39.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 88 | T | 32.1 | Very low | 35.6 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -4.7 | 140.8 | 154.2 | -43.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 89 | A | 31.8 | Very low | 35 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -170 | 155.5 | 132.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 90 | Q | 33.1 | Very low | 34 | Very low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | | | trans | -55.7 | -176.5 | 173.2 | -65.8 | 161 | -6.7 | 0 | 0 | 116.3 | | |
| 91 | S | 33.8 | Very low | 34.8 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | cis | 171.5 | 166.5 | -31 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 92 | K | 35.9 | Very low | 34.7 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | 79.1 | 109.3 | 162.9 | -65.1 | -174 | 177.7 | 179.5 | 0 | 123.4 | | |
| 93 | T | 32.4 | Very low | 34.7 | Very low | 124 Ų | 124 | 128 Ų | 128 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | | 61.4 | 128.5 | 117.2 | -18.8 | 0 | 0 | 0 | 0 | 125 | | |
| 94 | N | 32.8 | Very low | 34.7 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | | 109.3 | 118.3 | 128.2 | -128.6 | 5.4 | 0 | 0 | 0 | 123.6 | | |
| 95 | T | 33.7 | Very low | 34.6 | Very low | 112 Ų | 112 | 131 Ų | 131 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | -21.2 | 139.5 | 147.5 | -20.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 96 | Q | 38.1 | Very low | 34.5 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | | 163.9 | 145.3 | 110.2 | -95.5 | -165.1 | -21 | 0 | 0 | 118.4 | | |
| 97 | I | 33.1 | Very low | 34.7 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 65% | 0.646 | 78% | 0.782 | S | S | * | * | | | trans | 77.6 | 125.1 | 137.4 | -72.6 | 173.6 | 0 | 0 | 0 | 123.6 | | |
| 98 | L | 34.3 | Very low | 34.8 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | 49.6 | 163.5 | 149.2 | -87.9 | 50.6 | 0 | 0 | 0 | 121.3 | | |
| 99 | T | 30.7 | Very low | 35.1 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | | | cis | -145.7 | 160.3 | 16.3 | -24.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 100 | T | 36.3 | Very low | 35.9 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -92.6 | 174.1 | 162.3 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 101 | P | 52.4 | Low | 36.6 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | | -150.8 | 170.6 | 52.4 | 42.8 | -22.2 | 0 | 0 | 0 | 118.6 | | |
| 102 | A | 33.6 | Very low | 36.6 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -171 | 139.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 103 | T | 34.6 | Very low | 36.7 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | -82 | 175.3 | 169.4 | 39.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 104 | T | 33.7 | Very low | 36.6 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | cis | -166.6 | 165.2 | 29.1 | -24.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 105 | S | 34.8 | Very low | 36.8 | Very low | 122 Ų | 122 | 123 Ų | 123 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | 72.5 | 142.4 | 148.3 | -62 | 0 | 0 | 0 | 0 | 122.6 | | |
| 106 | G | 31.1 | Very low | 36.6 | Very low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | 117.1 | 94.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 107 | A | 36.3 | Very low | 36.5 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -103.6 | 123.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 108 | I | 36.4 | Very low | 36.4 | Very low | 167 Ų | 167 | 119.7 Ų | 119.7 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | | | trans | -142.6 | 145.7 | 170.6 | -54.6 | -178.7 | 0 | 0 | 0 | 108.9 | | |
| 109 | N | 39.3 | Very low | 36.5 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 158.8 | -174.8 | -69 | -16.8 | 0 | 0 | 0 | 114.7 | | |
| 110 | P | 48 | Very low | 36.6 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 150.4 | 169.3 | 33.7 | -35.7 | 0 | 0 | 0 | 113.2 | | |
| 111 | P | 46.6 | Very low | 36.3 | Very low | 111 Ų | 111 | 120 Ų | 120 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 140.5 | 160.4 | 34.1 | -33.1 | 0 | 0 | 0 | 109.9 | | |
| 112 | T | 34.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | cis | 65.7 | 139.3 | 46.5 | 71.7 | 0 | 0 | 0 | 0 | 115 | | |
| 113 | T | 38.7 | Very low | 35.4 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | | | cis | -166.3 | 150.4 | -21 | -82.3 | 0 | 0 | 0 | 0 | 107.6 | V115 | T113-V115 HydrophobicContact CG2-CG2 3.73Š|
| 114 | T | 29.4 | Very low | 35.2 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | 160 | 104.4 | 144.6 | -69.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 115 | V | 36.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | | 74.1 | 105.4 | 51.3 | -176.5 | 0 | 0 | 0 | 0 | 113.9 | T113 | T113-V115 HydrophobicContact CG2-CG2 3.73Š|
| 116 | T | 29.7 | Very low | 35 | Very low | 130 Ų | 130 | 123 Ų | 123 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | -161.6 | 103.2 | 131 | -70 | 0 | 0 | 0 | 0 | 109.4 | | |
| 117 | T | 35.9 | Very low | 35 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | | | | 12.9 | 146.3 | 128.8 | 0.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 118 | S | 32.7 | Very low | 34.7 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | cis | -165.3 | 168.5 | 26.1 | -30.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 119 | I | 35.4 | Very low | 34.6 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | | | trans | 81.4 | 121.3 | 147.8 | -66.9 | 157.5 | 0 | 0 | 0 | 119.8 | | |
| 120 | T | 32.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | trans | -90.1 | 148.7 | 166.9 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 121 | T | 30.2 | Very low | 33.3 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -118.1 | 135.6 | 160.8 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 122 | V | 33 | Very low | 32.8 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | -94.4 | 148.5 | -173.8 | -147.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 123 | I | 33.8 | Very low | 32.6 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -96.9 | 133.8 | 163.6 | -62.3 | 176.1 | 0 | 0 | 0 | 108.3 | | |
| 124 | S | 30.5 | Very low | 32.1 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -151.5 | 143.5 | 169 | -75.5 | 0 | 0 | 0 | 0 | 110 | | |
| 125 | T | 33.5 | Very low | 33.3 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | -103.4 | 129.7 | -170.6 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 126 | S | 32.1 | Very low | 33 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -148.9 | 144.5 | 155.1 | 58.9 | 0 | 0 | 0 | 0 | 111 | | |
| 127 | T | 31 | Very low | 33.2 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -87.3 | 147.5 | 177.1 | 45.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 128 | T | 30.3 | Very low | 33 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | | -179.4 | 152.5 | 116.1 | -71.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 129 | N | 32.7 | Very low | 33 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -57.1 | 153.5 | -180 | -47.3 | -39 | 0 | 0 | 0 | 114.5 | | |
| 130 | Q | 29.4 | Very low | 32.8 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | -138.8 | 152.7 | 134.7 | -91.3 | -146.8 | 86.2 | 0 | 0 | 110.6 | | |
| 131 | A | 31.6 | Very low | 32.8 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | -106.8 | 167.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 132 | I | 35.2 | Very low | 32.8 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -70.6 | 134.9 | 173.6 | -62.4 | 169.4 | 0 | 0 | 0 | 108.9 | | |
| 133 | G | 30.5 | Very low | 32.9 | Very low | 63 Ų | 63 | 131.4 Ų | 131.4 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | -93.3 | -175.4 | -166 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 134 | S | 29.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -155.6 | 160.5 | 167 | -77.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 135 | P | 53 | Low | 32.8 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | trans | -101.5 | 170.3 | -148.5 | 38.8 | -38.2 | 0 | 0 | 0 | 116.9 | | |
| 136 | D | 30.4 | Very low | 32.8 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 51.6 | 113.5 | 153.1 | -58.1 | -32.3 | 0 | 0 | 0 | 121.3 | | |
| 137 | S | 33.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | | -178.9 | 130.6 | 118.5 | -81.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 138 | N | 31.3 | Very low | 32.8 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | 20.8 | 124.6 | 148.1 | -56.8 | -22.9 | 0 | 0 | 0 | 121.5 | | |
| 139 | S | 32.8 | Very low | 32.8 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | | 162.6 | 133.4 | 107.4 | -70 | 0 | 0 | 0 | 0 | 114.9 | | |
| 140 | N | 31.3 | Very low | 32.8 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | 31.1 | 120 | 143.1 | -56.1 | -13.4 | 0 | 0 | 0 | 120.3 | | |
| 141 | S | 32.6 | Very low | 33.1 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | | 68.6 | 143.6 | 86.8 | 98.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 142 | V | 29.8 | Very low | 33 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | cis | -154.3 | 179.3 | 12.1 | 87.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 143 | L | 35.9 | Very low | 33 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -80.3 | 157.3 | -177.7 | -176.2 | 69 | 0 | 0 | 0 | 114.6 | | |
| 144 | T | 29.7 | Very low | 33.2 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | trans | -160.8 | 159.7 | 161.4 | -71.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 145 | T | 31.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | -147.4 | 157.3 | -168.2 | -39.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 146 | A | 33.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | 77.6 | 163.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 147 | T | 29.9 | Very low | 32.4 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | cis | -147.5 | 178.1 | 19.5 | -42.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 148 | V | 34.7 | Very low | 32.3 | Very low | 137 Ų | 137 | 131 Ų | 131 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -112 | 151.2 | -168.1 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 149 | S | 28.7 | Very low | 32.3 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -174.7 | 178 | 135.2 | -151.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 150 | N | 34.2 | Very low | 32.7 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | -155.6 | 163 | -156.3 | -159.2 | -7.6 | 0 | 0 | 0 | 114.4 | | |
| 151 | R | 34.2 | Very low | 32.7 | Very low | 237 Ų | 237 | 131.3 Ų | 131.3 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | | | trans | 63.5 | 157.8 | 175.8 | -65.5 | 178.4 | 166.2 | -176.9 | -5.3 | 118 | | |
| 152 | G | 30.8 | Very low | 32.7 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | cis | 149.6 | 157.2 | -15.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 153 | T | 34.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | 97.3 | 137.9 | 155.3 | -16.8 | 0 | 0 | 0 | 0 | 122 | | |
| 154 | V | 36.1 | Very low | 32.6 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | 56.9 | 153.3 | 160.1 | -77.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 155 | A | 31.9 | Very low | 32.7 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | cis | -162.1 | 177 | -13.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 156 | S | 33.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -81.8 | 169.5 | -174.5 | -45.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 157 | T | 29.9 | Very low | 32.7 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | | | | 162.3 | 120.4 | 124.6 | -70.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 158 | L | 31.7 | Very low | 32.9 | Very low | 172 Ų | 172 | 136 Ų | 136 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | | | trans | 64.6 | 164.5 | 149.1 | -67.5 | 171.6 | 0 | 0 | 0 | 126.7 | | |
| 159 | K | 31.1 | Very low | 32.7 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -78.4 | 169.6 | -178.8 | -112.1 | -178.3 | 178.9 | -176.3 | 0 | 113.4 | | |
| 160 | P | 42.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | -144.9 | 157.7 | 52.8 | 35.2 | -11.6 | 0 | 0 | 0 | 117 | | |
| 161 | S | 29.7 | Very low | 32.8 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | | 86.5 | 129.4 | 91.1 | -144.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 162 | E | 32.7 | Very low | 32.7 | Very low | 158 Ų | 158 | 128 Ų | 128 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 68.6 | 143.6 | 145.8 | -84.1 | 165.7 | 118.7 | 0 | 0 | 127.4 | | |
| 163 | N | 30.2 | Very low | 32.7 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | 72.8 | 146.7 | 154 | -66.2 | -30.2 | 0 | 0 | 0 | 119.4 | | |
| 164 | A | 33.1 | Very low | 33.8 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | | | cis | -151.3 | 161.3 | 6.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 165 | V | 33 | Very low | 34.7 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | 49.7 | 128.2 | 137.4 | 174.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 166 | E | 33 | Very low | 34.9 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | | -158.2 | 139.1 | 65.3 | -162 | 158.4 | -138.1 | 0 | 0 | 117.3 | | |
| 167 | K | 32.8 | Very low | 34.9 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | 9.4 | 143.9 | 144.8 | -130.3 | 166.7 | 178.4 | 179.3 | 0 | 119.1 | | |
| 168 | T | 32.6 | Very low | 35.8 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 64% | 0.638 | 75% | 0.752 | S | S | * | * | | | | -170.1 | 133.7 | 56.2 | -52.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 169 | T | 31.4 | Very low | 35.7 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | trans | 54.6 | 126.7 | 161.1 | 52.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 170 | N | 33.2 | Very low | 35.8 | Very low | 147 Ų | 147 | 119.1 Ų | 119.1 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | cis | 86.2 | 139.1 | 48.1 | -67.9 | 8.7 | 0 | 0 | 0 | 113.7 | | |
| 171 | T | 31.3 | Very low | 35.4 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | cis | -167.4 | 146.7 | -8.6 | -92.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 172 | A | 32.1 | Very low | 35.3 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | 64.4 | 141.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 173 | G | 31.2 | Very low | 35.5 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | trans | -114.8 | -140.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 174 | P | 57.2 | Low | 35.8 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | cis | -120 | -138.6 | -18.6 | 43.6 | -26.7 | 0 | 0 | 0 | 108.3 | | |
| 175 | P | 55.6 | Low | 35.9 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | | | cis | -113.4 | -132.7 | -40.5 | 39.2 | -24.4 | 0 | 0 | 0 | 110.5 | | |
| 176 | V | 35.5 | Very low | 35.7 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | trans | 86.5 | 131.2 | 167.9 | -171.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 177 | G | 32.9 | Very low | 35.7 | Very low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | trans | -122 | 171.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 178 | P | 49 | Very low | 35.6 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | | -147.3 | -162.9 | 55.5 | 37.5 | -15.4 | 0 | 0 | 0 | 114.5 | | |
| 179 | T | 30.8 | Very low | 35.6 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 83% | 0.828 | 75% | 0.753 | S | S | * | * | | | trans | 72.7 | 153.1 | 156.3 | -54.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 180 | S | 31.2 | Very low | 35.5 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | cis | -173.7 | 157 | -38.6 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 181 | Q | 35.2 | Very low | 35.6 | Very low | 183 Ų | 183 | 122.3 Ų | 122.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 54.9 | 116.4 | 159.6 | -75.4 | -179.9 | 5.1 | 0 | 0 | 123 | | |
| 182 | R | 28.2 | Very low | 35.6 | Very low | 233 Ų | 233 | 122.4 Ų | 122.4 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | | -166.4 | 147.2 | 118.7 | -114.2 | -173.3 | 161.6 | 136.2 | -4.6 | 108.7 | | |
| 183 | S | 35.1 | Very low | 35.6 | Very low | 85 Ų | 85 | 125 Ų | 125 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | | | cis | -144.5 | 149.4 | 4.9 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 184 | Q | 38.3 | Very low | 35.5 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | 23.9 | 142.5 | 130.7 | -58.6 | 172.4 | -23.7 | 0 | 0 | 119.9 | | |
| 185 | A | 34.1 | Very low | 34.1 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | | | cis | -161.1 | 164.1 | 16.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 186 | T | 30.1 | Very low | 33 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | | 30.7 | 128.1 | 124.3 | -54.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 187 | L | 32 | Very low | 32.8 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | | | cis | -151 | -141.7 | -6.3 | -117.7 | -177.5 | 0 | 0 | 0 | 112.2 | | |
| 188 | T | 31.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | | | trans | -150.2 | 157.8 | -141.4 | -63.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 189 | T | 31.3 | Very low | 32 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | | | trans | 64.2 | 125.6 | 163.6 | 43.1 | 0 | 0 | 0 | 0 | 122 | | |
| 190 | A | 30.5 | Very low | 32.9 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | | | | -170.4 | 168.1 | 122.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 191 | S | 34.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -116.6 | 141.8 | 178.1 | 174 | 0 | 0 | 0 | 0 | 111.6 | | |
| 192 | S | 32 | Very low | 33.8 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -167.8 | 169.7 | 159.8 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 193 | N | 32.1 | Very low | 34.3 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -87.5 | 176.1 | -174.7 | -59.5 | -39.2 | 0 | 0 | 0 | 114.2 | | |
| 194 | E | 30.2 | Very low | 34.1 | Very low | 199 Ų | 199 | 127.4 Ų | 127.4 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | | | trans | 67.1 | 157.1 | 164.5 | -58.8 | -179.2 | 118.2 | 0 | 0 | 116 | | |
| 195 | G | 27.4 | Very low | 33.9 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | cis | 170.3 | 147.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 196 | S | 31.3 | Very low | 33.6 | Very low | 126 Ų | 126 | 127 Ų | 127 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | 58.4 | 106.6 | 157.6 | -60.7 | 0 | 0 | 0 | 0 | 122 | | |
| 197 | K | 32.4 | Very low | 34.1 | Very low | 210 Ų | 210 | 130.2 Ų | 130.2 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | -151.5 | 146.3 | 136.7 | -81.8 | -162.5 | 179.5 | -178.4 | 0 | 108.7 | | |
| 198 | A | 32.5 | Very low | 34 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | cis | -156.2 | 161.6 | -20.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 199 | G | 31.5 | Very low | 34 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -82.1 | -156.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 200 | P | 50.3 | Low | 34 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | cis | -133.8 | 167.5 | 34.2 | 40.8 | -24.9 | 0 | 0 | 0 | 118 | | |
| 201 | T | 38.8 | Very low | 34 | Very low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | -82.6 | 171.6 | 168.2 | -5.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 202 | P | 46.1 | Very low | 33.8 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | | -123.8 | 137.1 | 94.8 | 0.7 | 20.9 | 0 | 0 | 0 | 112.4 | | |
| 203 | Q | 38.5 | Very low | 33.6 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | | | | 82 | 139 | 56 | -74.1 | -145.6 | 74.3 | 0 | 0 | 114.3 | | |
| 204 | T | 31.3 | Very low | 33.6 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 63% | 0.632 | 80% | 0.799 | S | S | * | * | | | cis | -165.9 | 178.4 | -9.5 | -84.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 205 | V | 33.8 | Very low | 34.2 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | 96.2 | 139.7 | 168.3 | -174.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 206 | T | 29 | Very low | 34.2 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | cis | -167.8 | 168.2 | -36.2 | -91.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 207 | K | 39.4 | Very low | 34.1 | Very low | 194 Ų | 194 | 126.2 Ų | 126.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -125 | 153.9 | 170.6 | -71.8 | 179.5 | 175.3 | 177.8 | 0 | 112.9 | | |
| 208 | S | 30.4 | Very low | 34 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | | | trans | 177.7 | 164.5 | 141.1 | -80.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 209 | G | 30.4 | Very low | 33.8 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | cis | 179 | 157.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 210 | L | 31.9 | Very low | 33.8 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | | | trans | -65.5 | 140.1 | -165.4 | -98.8 | 62.8 | 0 | 0 | 0 | 117.9 | | |
| 211 | A | 31.2 | Very low | 33 | Very low | 95 Ų | 95 | 127 Ų | 127 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 45 | 130.9 | 132.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 212 | S | 28.7 | Very low | 33.1 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | | 162.6 | 173.5 | 107.7 | -161.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 213 | T | 28.2 | Very low | 32.3 | Very low | 135 Ų | 135 | 128 Ų | 128 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | | | trans | 62.6 | 122.1 | 167.1 | 45 | 0 | 0 | 0 | 0 | 120.8 | | |
| 214 | A | 31.7 | Very low | 31.9 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -95.7 | 171 | 149 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 215 | P | 43.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | -149.8 | -178.4 | 63.8 | 41.9 | -22.6 | 0 | 0 | 0 | 116.7 | | |
| 216 | S | 28.5 | Very low | 31.5 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 70.7 | 155.2 | 156.1 | -67.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 217 | N | 28 | Very low | 31.4 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | cis | -167.3 | 177.6 | -33.6 | -162.4 | 4 | 0 | 0 | 0 | 108.2 | | |
| 218 | S | 30.4 | Very low | 31 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | | | trans | 102.3 | 99.7 | 158.7 | -171.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 219 | N | 28.2 | Very low | 30.9 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | 68.8 | 153.1 | 136 | -57.1 | -13.4 | 0 | 0 | 0 | 118.8 | | |
| 220 | Q | 31.3 | Very low | 30.8 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | cis | -146.1 | 159 | 14.5 | -152.4 | 165.3 | 37.4 | 0 | 0 | 112.6 | | |
| 221 | V | 32.9 | Very low | 30.6 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -135.2 | 142.4 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 222 | P | 42.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | | -118.1 | 134.8 | 126.5 | -4.9 | 25.7 | 0 | 0 | 0 | 109.9 | | |
| 223 | E | 28.4 | Very low | 30.8 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | | 53.4 | 132.5 | 71.1 | -72.1 | -148.9 | 118.4 | 0 | 0 | 113.6 | | |
| 224 | R | 29.2 | Very low | 30.8 | Very low | 201 Ų | 201 | 128.9 Ų | 128.9 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | | | cis | -155.2 | 166.3 | 18.5 | -135.8 | 172 | -149.7 | 173.1 | 19.9 | 115 | | |
| 225 | S | 29.2 | Very low | 30.6 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | -23 | 165.1 | 165.4 | -45.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 226 | S | 29.3 | Very low | 30 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | cis | -162 | 152.3 | 35.6 | -40.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 227 | T | 25.7 | Very low | 29.9 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | | | trans | 7.5 | 128.4 | 149.6 | 48 | 0 | 0 | 0 | 0 | 121.8 | | |
| 228 | H | 30.1 | Very low | 30 | Very low | 173 Ų | 173 | 136 Ų | 136 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | | -158.3 | 162.7 | 110.3 | -111.5 | 71.5 | 0 | 0 | 0 | 112.6 | | |
| 229 | S | 28.8 | Very low | 29.7 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | -134.5 | 117 | -171.3 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 230 | H | 29.7 | Very low | 30 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | | | trans | -145.7 | 126.8 | 170.2 | -73.1 | -67.6 | 0 | 0 | 0 | 113.7 | | |
| 231 | T | 26.3 | Very low | 29.7 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | | | trans | -120.2 | 167.4 | 151.9 | 12.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 232 | P | 42.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | cis | -132 | -168.4 | -2 | 37.1 | -17.7 | 0 | 0 | 0 | 113.6 | | |
| 233 | T | 22.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | | | trans | 133.5 | 138 | 137.9 | -51.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 234 | A | 28.4 | Very low | 29.1 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | trans | -67.4 | 162.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 235 | K | 27.2 | Very low | 29.1 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | | -163.8 | 158.5 | 125.3 | -104.5 | 155.6 | -171.7 | 177 | 0 | 112.1 | | |
| 236 | D | 29.5 | Very low | 29.7 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -60.7 | 148.5 | 176.6 | -52.7 | -92.1 | 0 | 0 | 0 | 112.5 | | |
| 237 | T | 26.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -147.9 | 111.3 | 155.4 | -65.4 | 0 | 0 | 0 | 0 | 109.4 | V239 | T237-V239 HydrophobicContact CG2-CG2 4.11Å; T237-V239 PolarHBondContact O-N 3.35Å |
| 238 | L | 31.2 | Very low | 29.9 | Very low | 151 Ų | 151 | 133 Ų | 133 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -66 | 122.3 | 169.4 | -176 | 89.4 | 0 | 0 | 0 | 109.3 | I240 | L238-I240 HydrophobicContact CD2-CD1 3.9Å; L238-I240 HydrophobicContact CD2-CG1 4.18Å; L238-I240 HydrophobicContact CG-CD1 4.45Å; L238-I240 HydrophobicContact CG-CG1 4.26Å |
| 239 | V | 24.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 134 Ų | 134 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | | | trans | -115.6 | 94.9 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 110 | T237 T241 | T237-V239 HydrophobicContact CG2-CG2 4.11Å; T237-V239 PolarHBondContact O-N 3.35Å; V239-T241 WeakPolarHBondContact CG1-OG1 3.18Å |
| 240 | I | 33.4 | Very low | 30 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | | | trans | -97.2 | 108.3 | 165.7 | -61.9 | 175.2 | 0 | 0 | 0 | 107.4 | L238 | L238-I240 HydrophobicContact CD2-CD1 3.9Å; L238-I240 HydrophobicContact CD2-CG1 4.18Å; L238-I240 HydrophobicContact CG-CD1 4.45Å; L238-I240 HydrophobicContact CG-CG1 4.26Å |
| 241 | T | 24.5 | Very low | 30 | Very low | 112 Ų | 112 | 139 Ų | 139 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | | | trans | -120.3 | 90.1 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | V239 | V239-T241 WeakPolarHBondContact CG1-OG1 3.18Š|
| 242 | Q | 28.5 | Very low | 30.7 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | 40.5 | 123.8 | 136.7 | -58.8 | -178.9 | 1.6 | 0 | 0 | 120.5 | | |
| 243 | S | 30.3 | Very low | 30.4 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 144 | 165.3 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 244 | P | 34.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 136.9 | 161.4 | -1.6 | 21.1 | 0 | 0 | 0 | 112.5 | | |
| 245 | T | 27.6 | Very low | 30.9 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 147.3 | 171.8 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 246 | P | 41.4 | Very low | 31.3 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 153 | -152.8 | 32 | -37.3 | 0 | 0 | 0 | 115.7 | | |
| 247 | A | 28.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -116.5 | 131.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 248 | A | 32.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | trans | -97.9 | 130.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 249 | M | 29.1 | Very low | 32.9 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 96% | 0.956 | 76% | 0.763 | S | S | * | * | | | trans | -147.4 | 145.6 | 160.8 | -140.2 | 176.9 | -168.8 | 0 | 0 | 110.8 | | |
| 250 | T | 31.5 | Very low | 33.9 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | | | trans | -107.5 | 122.9 | -155.6 | -48.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 251 | R | 29.3 | Very low | 34.4 | Very low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | | | trans | -174.7 | 144.6 | 136.8 | -157.9 | 157.3 | 176.3 | -168.1 | -5.9 | 110 | | |
| 252 | P | 40.9 | Very low | 35.6 | Very low | 127 Ų | 127 | 120.1 Ų | 120.1 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | | | trans | -91 | 163.3 | -167.5 | 36.3 | -36.9 | 0 | 0 | 0 | 113.8 | | |
| 253 | G | 36 | Very low | 36.5 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | | | trans | 164.3 | -0.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 254 | V | 29.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 113 Ų | 113 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | | | trans | -132 | 127.6 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | E256 | V254-E256 HydrophobicContact CG1-CG 4.33Å; V254-E256 PolarHBondContact O-N 3.48Å |
| 255 | T | 32.5 | Very low | 37.8 | Very low | 130 Ų | 130 | 109.6 Ų | 109.6 | 80% | 0.798 | 65% | 0.647 | S | S | * | * | | | trans | -79.9 | 94.8 | 165.1 | -54 | 0 | 0 | 0 | 0 | 107.8 | T257 | T255-T257 PolarHBondContact O-N 2.93Š|
| 256 | E | 36 | Very low | 38.6 | Very low | 174 Ų | 174 | 108.7 Ų | 108.7 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | | | trans | -68.3 | 100.7 | 173.6 | -68.9 | -168.8 | 134.8 | 0 | 0 | 109.9 | V254 N258 | V254-E256 HydrophobicContact CG1-CG 4.33Å; V254-E256 PolarHBondContact O-N 3.48Å; E256-N258 PolarHBondContact O-N 2.84Å |
| 257 | T | 37.5 | Very low | 38.6 | Very low | 59 Ų | 59 | 107.5 Ų | 107.5 | 36% | 0.362 | 63% | 0.632 | S | S | . | * | | | trans | -69.3 | 80.7 | 170.5 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | T255 T259 Q298 N300 | T255-T257 PolarHBondContact O-N 2.93Å; T257-T259 PolarHBondContact O-N 2.92Å; T257-T259 PolarHBondContact O-OG1 3.37Å; T257-Q298 HydrophobicContact CG2-CG 3.65Å; T257-N300 VanDerWaalsContact CG2-OD1 3.25Å; T257-N300 WeakPolarHBondContact CG2-OD1 3.41Å |
| 258 | N | 42.4 | Very low | 39.5 | Very low | 119 Ų | 119 | 107 Ų | 107 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | | | trans | -55.5 | 112.8 | 176.7 | -170.1 | -87.4 | 0 | 0 | 0 | 109.3 | E256 | E256-N258 PolarHBondContact O-N 2.84Š|
| 259 | T | 40.2 | Very low | 40.2 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 40% | 0.399 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 92.8 | -173.1 | -62.3 | 0 | 0 | 0 | 0 | 108.1 | T257 T261 | T257-T259 PolarHBondContact O-N 2.92Å; T257-T259 PolarHBondContact O-OG1 3.37Å; T259-T261 PolarHBondContact O-N 3.47Å |
| 260 | E | 46.7 | Very low | 41.3 | Very low | 75 Ų | 75 | 104.9 Ų | 104.9 | 35% | 0.35 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 109.1 | 171.7 | -63.2 | -153.3 | 109.9 | 0 | 0 | 109.5 | F262 K273 L297 | E260-F262 HydrophobicContact CB-CD2 4.37Å; E260-F262 HydrophobicContact CB-CE2 3.57Å; E260-F262 HydrophobicContact CB-CZ 3.71Å; E260-F262 HydrophobicContact CG-CZ 4.43Å; E260-F262 WeakPolarHBondContact OE2-CZ 3.45Å; E260-K273 IonicContact OE1-NZ 2.86Å; E260-K273 PolarHBondContact OE1-NZ 2.82Å; E260-K273 IonicContact OE2-NZ 2.63Å; E260-K273 PolarHBondContact OE2-NZ 2.87Å; E260-L297 PolarHBondContact O-N 3.37Å |
| 261 | T | 43.8 | Very low | 42.2 | Very low | 84 Ų | 84 | 99.6 Ų | 99.6 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90 | 112.8 | 170.6 | -62.8 | 0 | 0 | 0 | 0 | 109 | T259 I294 T296 | T259-T261 PolarHBondContact O-N 3.47Å; T261-I294 HydrophobicContact CG2-CG2 4.21Å; T261-T296 HydrophobicContact CG2-CG2 4.11Å |
| 262 | F | 50.3 | Low | 43.2 | Very low | 26 Ų | 26 | 94.2 Ų | 94.2 | 11% | 0.114 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.9 | 173.8 | -59.4 | -83.3 | 0 | 0 | 0 | 109.9 | E260 F264 K273 A295 L297 | E260-F262 HydrophobicContact CB-CD2 4.37Å; E260-F262 HydrophobicContact CB-CE2 3.57Å; E260-F262 HydrophobicContact CB-CZ 3.71Å; E260-F262 HydrophobicContact CG-CZ 4.43Å; E260-F262 WeakPolarHBondContact OE2-CZ 3.45Å; F262-F264 HydrophobicContact CB-CD2 4.22Å; F262-F264 HydrophobicContact CB-CE2 3.51Å; F262-F264 HydrophobicContact CB-CZ 4.03Å; F262-F264 HydrophobicContact CG-CE2 4.41Å; F262-K273 HydrophobicContact CE1-CB 4.47Å; F262-K273 HydrophobicContact CE1-CD 4.05Å; F262-K273 HydrophobicContact CZ-CB 4.39Å; F262-K273 HydrophobicContact CZ-CD 3.97Å; F262-A295 WeakPolarHBondContact CB-O 3.4Å; F262-A295 PolarHBondContact N-O 3.33Å; F262-A295 PolarHBondContact O-N 2.77Å; F262-L297 HydrophobicContact CE2-CB 4.3Å |
| 263 | L | 46.1 | Very low | 43.7 | Very low | 118 Ų | 118 | 94 Ų | 94 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.6 | 173.2 | -147.1 | 81.9 | 0 | 0 | 0 | 108.2 | I294 | L263-I294 HydrophobicContact CD1-CB 4.45Å; L263-I294 HydrophobicContact CD1-CD1 3.73Å; L263-I294 HydrophobicContact CD1-CG1 3.69Å; L263-I294 HydrophobicContact CD1-CG2 4.16Å |
| 264 | F | 50.3 | Low | 44.9 | Very low | 16 Ų | 16 | 93.1 Ų | 93.1 | 7% | 0.07 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 103.9 | 174.6 | -67.1 | -77.8 | 0 | 0 | 0 | 110.9 | F262 S271 L277 V278 C293 A295 | F262-F264 HydrophobicContact CB-CD2 4.22Å; F262-F264 HydrophobicContact CB-CE2 3.51Å; F262-F264 HydrophobicContact CB-CZ 4.03Å; F262-F264 HydrophobicContact CG-CE2 4.41Å; F264-S271 VanDerWaalsContact CE1-CB 3.46Å; F264-L277 HydrophobicContact CE2-CD2 3.8Å; F264-L277 HydrophobicContact CZ-CD2 4.48Å; F264-V278 HydrophobicContact CE1-CG2 3.81Å; F264-V278 HydrophobicContact CE2-CG2 4.5Å; F264-V278 HydrophobicContact CZ-CG2 3.62Å; F264-C293 HydrophobicContact CB-CB 4.35Å; F264-C293 WeakPolarHBondContact CB-O 3.49Å; F264-C293 PolarHBondContact N-O 2.98Å; F264-C293 PolarHBondContact O-N 3.33Å; F264-A295 HydrophobicContact CD2-CB 4.43Å; F264-A295 HydrophobicContact CE2-CB 4.4Å |
| 265 | S | 43.3 | Very low | 46.4 | Very low | 58 Ų | 58 | 95 Ų | 95 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | | | trans | -75.5 | 155.4 | 160 | -167.6 | 0 | 0 | 0 | 0 | 109.9 | S267 D268 | S265-S267 PolarHBondContact O-N 3.44Å; S265-S267 VanDerWaalsContact O-N 3.14Å; S265-D268 VanDerWaalsContact CB-OD2 3.24Å; S265-D268 WeakPolarHBondContact CB-OD2 3.32Å; S265-D268 PolarHBondContact O-N 3.29Å |
| 266 | L | 43.6 | Very low | 47.8 | Very low | 112 Ų | 112 | 94.6 Ų | 94.6 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.9 | 178.8 | -157.1 | 74.2 | 0 | 0 | 0 | 112.8 | M285 | L266-M285 HydrophobicContact CB-CE 4.43Å; L266-M285 HydrophobicContact CD1-CB 3.8Å; L266-M285 HydrophobicContact CD1-CE 3.89Å |
| 267 | S | 42.4 | Very low | 48.9 | Very low | 104 Ų | 104 | 87.7 Ų | 87.7 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -20.5 | 178.9 | -53 | 0 | 0 | 0 | 0 | 114.7 | S265 S269 | S265-S267 PolarHBondContact O-N 3.44Å; S265-S267 VanDerWaalsContact O-N 3.14Å; S267-S269 PolarHBondContact O-N 2.94Å |
| 268 | D | 46.5 | Very low | 50.2 | Low | 95 Ų | 95 | 85.6 Ų | 85.6 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | | | trans | -88.9 | 111.9 | -169.3 | -68.4 | -58 | 0 | 0 | 0 | 111.8 | S265 | S265-D268 VanDerWaalsContact CB-OD2 3.24Å; S265-D268 WeakPolarHBondContact CB-OD2 3.32Å; S265-D268 PolarHBondContact O-N 3.29Å |
| 269 | S | 47.8 | Very low | 51.3 | Low | 88 Ų | 88 | 86.1 Ų | 86.1 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | | | trans | -80.4 | -33.6 | -171 | 51.3 | 0 | 0 | 0 | 0 | 114 | S267 K282 | S267-S269 PolarHBondContact O-N 2.94Å; S269-K282 PolarHBondContact O-NZ 3.48Å |
| 270 | E | 51.1 | Low | 52.5 | Low | 168 Ų | 168 | 87.8 Ų | 87.8 | 79% | 0.785 | 48% | 0.475 | S | S | * | . | | | trans | -119.3 | 107.7 | -165.9 | -68.4 | -166.1 | 103.6 | 0 | 0 | 114.8 | | |
| 271 | S | 50.5 | Low | 53.4 | Low | 31 Ų | 31 | 84.6 Ų | 84.6 | 22% | 0.217 | 46% | 0.461 | C | S | . | . | | | trans | -130.1 | 109.2 | 150.1 | 178.4 | 0 | 0 | 0 | 0 | 108 | F264 K273 | F264-S271 VanDerWaalsContact CE1-CB 3.46Å; S271-K273 VanDerWaalsContact C-N 3.32Å; S271-K273 PolarHBondContact O-N 3.28Å |
| 272 | T | 50.4 | Low | 54.6 | Low | 126 Ų | 126 | 85.6 Ų | 85.6 | 77% | 0.773 | 46% | 0.458 | S | S | * | . | | | trans | -78.3 | -15.1 | -172.2 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 273 | K | 51.9 | Low | 55.2 | Low | 121 Ų | 121 | 88.3 Ų | 88.3 | 53% | 0.526 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -72.1 | -30.9 | -170.4 | -75.3 | -173.7 | 169.8 | -169.5 | 0 | 115.5 | E260 F262 S271 | E260-K273 IonicContact OE1-NZ 2.86Å; E260-K273 PolarHBondContact OE1-NZ 2.82Å; E260-K273 IonicContact OE2-NZ 2.63Å; E260-K273 PolarHBondContact OE2-NZ 2.87Å; F262-K273 HydrophobicContact CE1-CB 4.47Å; F262-K273 HydrophobicContact CE1-CD 4.05Å; F262-K273 HydrophobicContact CZ-CB 4.39Å; F262-K273 HydrophobicContact CZ-CD 3.97Å; S271-K273 VanDerWaalsContact C-N 3.32Å; S271-K273 PolarHBondContact O-N 3.28Å |
| 274 | N | 60.3 | Low | 56.1 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 32% | 0.321 | 47% | 0.468 | S | S | . | . | | | trans | -145.9 | 73.7 | -175.5 | -82.5 | -68 | 0 | 0 | 0 | 112.9 | T276 L277 V278 | N274-T276 VanDerWaalsContact C-N 3.26Å; N274-T276 PolarHBondContact O-N 3.32Å; N274-T276 VanDerWaalsContact O-N 3.14Å; N274-L277 HydrophobicContact CB-CB 4.01Å; N274-L277 PolarHBondContact O-N 3.29Å; N274-V278 WeakPolarHBondContact O-CG2 3.21Å; N274-V278 PolarHBondContact O-N 2.92Å |
| 275 | K | 61.2 | Low | 56.7 | Low | 167 Ų | 167 | 86.3 Ų | 86.3 | 73% | 0.726 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -49.2 | -41.8 | -178.6 | -172.8 | 175.1 | -179.6 | 177.9 | 0 | 113.7 | L277 V278 Q279 | K275-L277 PolarHBondContact O-N 3.45Å; K275-V278 PolarHBondContact O-N 3.33Å; K275-Q279 VanDerWaalsContact O-CB 3.26Å; K275-Q279 WeakPolarHBondContact O-CB 3.39Å; K275-Q279 PolarHBondContact O-N 3.5Å |
| 276 | T | 60.8 | Low | 57.5 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 74% | 0.736 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | 179 | -43.9 | 0 | 0 | 0 | 0 | 112.8 | N274 Q279 L280 | N274-T276 VanDerWaalsContact C-N 3.26Å; N274-T276 PolarHBondContact O-N 3.32Å; N274-T276 VanDerWaalsContact O-N 3.14Å; T276-Q279 PolarHBondContact O-N 2.87Å; T276-L280 WeakPolarHBondContact O-CB 3.42Å; T276-L280 PolarHBondContact O-N 2.98Å |
| 277 | L | 60.8 | Low | 58 | Low | 29 Ų | 29 | 87.4 Ų | 87.4 | 15% | 0.152 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -74.3 | -39.7 | -179.9 | 179 | 149.7 | 0 | 0 | 0 | 111 | F264 N274 K275 Q279 L280 C281 A295 L307 | F264-L277 HydrophobicContact CE2-CD2 3.8Å; F264-L277 HydrophobicContact CZ-CD2 4.48Å; N274-L277 HydrophobicContact CB-CB 4.01Å; N274-L277 PolarHBondContact O-N 3.29Å; K275-L277 PolarHBondContact O-N 3.45Å; L277-Q279 VanDerWaalsContact C-N 3.28Å; L277-Q279 PolarHBondContact O-N 3.3Å; L277-L280 PolarHBondContact O-N 3.27Å; L277-C281 WeakPolarHBondContact O-CB 3.3Å; L277-C281 PolarHBondContact O-N 3.38Å; L277-A295 HydrophobicContact CD1-CB 4.23Å; L277-A295 HydrophobicContact CD2-CB 3.68Å; L277-A295 HydrophobicContact CG-CB 4.35Å; L277-L307 HydrophobicContact CD1-CD1 4.41Å |
| 278 | V | 63.8 | Low | 58.8 | Low | 16 Ų | 16 | 83.2 Ų | 83.2 | 10% | 0.097 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 170.7 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | F264 N274 K275 K282 | F264-V278 HydrophobicContact CE1-CG2 3.81Å; F264-V278 HydrophobicContact CE2-CG2 4.5Å; F264-V278 HydrophobicContact CZ-CG2 3.62Å; N274-V278 WeakPolarHBondContact O-CG2 3.21Å; N274-V278 PolarHBondContact O-N 2.92Å; K275-V278 PolarHBondContact O-N 3.33Å; V278-K282 HydrophobicContact CG1-CD 3.96Å; V278-K282 HydrophobicContact CG1-CG 4.44Å; V278-K282 VanDerWaalsContact O-CB 3.31Å; V278-K282 WeakPolarHBondContact O-CB 3.27Å; V278-K282 VanDerWaalsContact O-CG 3.29Å; V278-K282 WeakPolarHBondContact O-CG 3.29Å; V278-K282 PolarHBondContact O-N 2.97Å |
| 279 | Q | 66.1 | Low | 59.1 | Low | 130 Ų | 130 | 89.3 Ų | 89.3 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.8 | -39.4 | 179 | -174.2 | 168.8 | -18.9 | 0 | 0 | 112.6 | K275 T276 L277 S283 | K275-Q279 VanDerWaalsContact O-CB 3.26Å; K275-Q279 WeakPolarHBondContact O-CB 3.39Å; K275-Q279 PolarHBondContact O-N 3.5Å; T276-Q279 PolarHBondContact O-N 2.87Å; L277-Q279 VanDerWaalsContact C-N 3.28Å; L277-Q279 PolarHBondContact O-N 3.3Å; Q279-S283 VanDerWaalsContact O-CB 3.26Å; Q279-S283 WeakPolarHBondContact O-CB 3.42Å; Q279-S283 PolarHBondContact O-N 3.21Å |
| 280 | L | 65.4 | Low | 59.2 | Low | 100 Ų | 100 | 92 Ų | 92 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 173.1 | -177.9 | 64.2 | 0 | 0 | 0 | 111.3 | T276 L277 S283 F284 L307 | T276-L280 WeakPolarHBondContact O-CB 3.42Å; T276-L280 PolarHBondContact O-N 2.98Å; L277-L280 PolarHBondContact O-N 3.27Å; L280-S283 PolarHBondContact O-N 2.9Å; L280-F284 WeakPolarHBondContact O-CB 3.25Å; L280-F284 PolarHBondContact O-N 2.95Å; L280-L307 HydrophobicContact CD2-CD2 3.84Å |
| 281 | C | 66 | Low | 59.3 | Low | 8 Ų | 8 | 84.6 Ų | 84.6 | 5% | 0.054 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | L277 S283 F284 M285 C293 | L277-C281 WeakPolarHBondContact O-CB 3.3Å; L277-C281 PolarHBondContact O-N 3.38Å; C281-S283 PolarHBondContact O-N 3.4Å; C281-F284 PolarHBondContact O-N 2.92Å; C281-M285 VanDerWaalsContact O-CB 3.29Å; C281-M285 WeakPolarHBondContact O-CB 3.35Å; C281-M285 WeakPolarHBondContact O-CG 3.49Å; C281-M285 PolarHBondContact O-N 2.92Å; C281-C293 HydrophobicContact CB-CB 4.47Å; C281-C293 WeakPolarHBondContact CB-SG 3.49Å; C281-C293 WeakPolarHBondContact SG-CB 3.35Å; C281-C293 CovalentContact SG-SG 2.04Å; C281-C293 PolarHBondContact SG-SG 3.13Å |
| 282 | K | 67.3 | Low | 59.3 | Low | 104 Ų | 104 | 86.9 Ų | 86.9 | 45% | 0.452 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.9 | -75.5 | 179.3 | -178.7 | 179.4 | 0 | 112.7 | S269 V278 F284 M285 S286 | S269-K282 PolarHBondContact O-NZ 3.48Å; V278-K282 HydrophobicContact CG1-CD 3.96Å; V278-K282 HydrophobicContact CG1-CG 4.44Å; V278-K282 VanDerWaalsContact O-CB 3.31Å; V278-K282 WeakPolarHBondContact O-CB 3.27Å; V278-K282 VanDerWaalsContact O-CG 3.29Å; V278-K282 WeakPolarHBondContact O-CG 3.29Å; V278-K282 PolarHBondContact O-N 2.97Å; K282-F284 VanDerWaalsContact C-N 3.31Å; K282-F284 PolarHBondContact O-N 2.88Å; K282-M285 PolarHBondContact O-N 3.47Å; K282-S286 WeakPolarHBondContact O-CB 3.43Å; K282-S286 PolarHBondContact O-N 3.41Å; K282-S286 PolarHBondContact O-OG 3.31Å |
| 283 | S | 64.3 | Low | 59.7 | Low | 84 Ų | 84 | 81 Ų | 81 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.4 | -26.1 | 177.3 | -172.1 | 0 | 0 | 0 | 0 | 113.7 | Q279 L280 C281 S286 | Q279-S283 VanDerWaalsContact O-CB 3.26Å; Q279-S283 WeakPolarHBondContact O-CB 3.42Å; Q279-S283 PolarHBondContact O-N 3.21Å; L280-S283 PolarHBondContact O-N 2.9Å; C281-S283 PolarHBondContact O-N 3.4Å; S283-S286 PolarHBondContact O-OG 2.91Å |
| 284 | F | 63.6 | Low | 59.8 | Low | 83 Ų | 83 | 77.6 Ų | 77.6 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -78.7 | -50.4 | 172.1 | -172.7 | -100.9 | 0 | 0 | 0 | 110.3 | L280 C281 K282 S286 S287 L288 I309 V311 | L280-F284 WeakPolarHBondContact O-CB 3.25Å; L280-F284 PolarHBondContact O-N 2.95Å; C281-F284 PolarHBondContact O-N 2.92Å; K282-F284 VanDerWaalsContact C-N 3.31Å; K282-F284 PolarHBondContact O-N 2.88Å; F284-S286 VanDerWaalsContact C-N 3.28Å; F284-S286 PolarHBondContact O-N 3.48Å; F284-S287 WeakPolarHBondContact O-CB 3.3Å; F284-S287 PolarHBondContact O-N 2.9Å; F284-L288 HydrophobicContact CD1-CD1 4.03Å; F284-L288 HydrophobicContact CE1-CD1 3.75Å; F284-L288 HydrophobicContact CE2-CD1 4.44Å; F284-L288 HydrophobicContact CG-CD1 4.49Å; F284-L288 HydrophobicContact CZ-CD1 3.97Å; F284-L288 WeakPolarHBondContact O-CD1 3.46Å; F284-I309 HydrophobicContact CD1-CG2 4.45Å; F284-I309 HydrophobicContact CE1-CG2 4.1Å; F284-V311 HydrophobicContact CE1-CG2 3.8Å; F284-V311 HydrophobicContact CZ-CG2 4.1Å |
| 285 | M | 62.7 | Low | 59.4 | Low | 9 Ų | 9 | 74.7 Ų | 74.7 | 4% | 0.044 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.6 | -28.1 | -179 | -64.3 | -92.7 | -87.5 | 0 | 0 | 113.1 | L266 C281 K282 S287 L288 S291 C293 | L266-M285 HydrophobicContact CB-CE 4.43Å; L266-M285 HydrophobicContact CD1-CB 3.8Å; L266-M285 HydrophobicContact CD1-CE 3.89Å; C281-M285 VanDerWaalsContact O-CB 3.29Å; C281-M285 WeakPolarHBondContact O-CB 3.35Å; C281-M285 WeakPolarHBondContact O-CG 3.49Å; C281-M285 PolarHBondContact O-N 2.92Å; K282-M285 PolarHBondContact O-N 3.47Å; M285-S287 PolarHBondContact O-N 2.99Å; M285-S287 VanDerWaalsContact O-N 3.12Å; M285-L288 CarbonylContact O-C 3.56Å; M285-L288 PolarHBondContact O-N 3.48Å; M285-L288 VanDerWaalsContact O-O 3.05Å; M285-S291 WeakPolarHBondContact CE-O 3.37Å; M285-S291 PolarHBondContact SD-OG 3.44Å; M285-C293 HydrophobicContact CE-CB 3.68Å; M285-C293 HydrophobicContact CG-CB 3.84Å; M285-C293 HydrophobicContact SD-CB 3.5Å; M285-C293 VanDerWaalsContact SD-CB 3.5Å |
| 286 | S | 60.5 | Low | 59 | Low | 99 Ų | 99 | 68.6 Ų | 68.6 | 69% | 0.692 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.7 | 172.2 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | K282 S283 F284 | K282-S286 WeakPolarHBondContact O-CB 3.43Å; K282-S286 PolarHBondContact O-N 3.41Å; K282-S286 PolarHBondContact O-OG 3.31Å; S283-S286 PolarHBondContact O-OG 2.91Å; F284-S286 VanDerWaalsContact C-N 3.28Å; F284-S286 PolarHBondContact O-N 3.48Å |
| 287 | S | 54.8 | Low | 58.6 | Low | 93 Ų | 93 | 64.7 Ų | 64.7 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -20.8 | 173 | -164.7 | 0 | 0 | 0 | 0 | 113.2 | F284 M285 | F284-S287 WeakPolarHBondContact O-CB 3.3Å; F284-S287 PolarHBondContact O-N 2.9Å; M285-S287 PolarHBondContact O-N 2.99Å; M285-S287 VanDerWaalsContact O-N 3.12Å |
| 288 | L | 58.6 | Low | 58 | Low | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | | | trans | -118.2 | 101.4 | -175.8 | -70.4 | 100.1 | 0 | 0 | 0 | 111.4 | F284 M285 N290 S291 V311 L315 | F284-L288 HydrophobicContact CD1-CD1 4.03Å; F284-L288 HydrophobicContact CE1-CD1 3.75Å; F284-L288 HydrophobicContact CE2-CD1 4.44Å; F284-L288 HydrophobicContact CG-CD1 4.49Å; F284-L288 HydrophobicContact CZ-CD1 3.97Å; F284-L288 WeakPolarHBondContact O-CD1 3.46Å; M285-L288 CarbonylContact O-C 3.56Å; M285-L288 PolarHBondContact O-N 3.48Å; M285-L288 VanDerWaalsContact O-O 3.05Å; L288-N290 PolarHBondContact O-N 3.4Å; L288-S291 VanDerWaalsContact CB-OG 3.26Å; L288-S291 WeakPolarHBondContact CB-OG 3.32Å; L288-V311 HydrophobicContact CD2-CG1 3.56Å; L288-L315 HydrophobicContact CB-CD2 4.46Å; L288-L315 HydrophobicContact CD2-CD2 4.23Å |
| 289 | R | 54.1 | Low | 57.4 | Low | 222 Ų | 222 | 71.3 Ų | 71.3 | 84% | 0.838 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.1 | -170.5 | -74.2 | -174.4 | 173.1 | 176.9 | -2.4 | 116.5 | | |
| 290 | N | 49.7 | Very low | 56.6 | Low | 145 Ų | 145 | 69.6 Ų | 69.6 | 78% | 0.775 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.1 | 39.2 | -175.6 | -69.9 | -50.7 | 0 | 0 | 0 | 113.5 | L288 | L288-N290 PolarHBondContact O-N 3.4Š|
| 291 | S | 52.6 | Low | 56 | Low | 12 Ų | 12 | 68.4 Ų | 68.4 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | | | trans | -96.2 | 156.4 | 173 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | M285 L288 | M285-S291 WeakPolarHBondContact CE-O 3.37Å; M285-S291 PolarHBondContact SD-OG 3.44Å; L288-S291 VanDerWaalsContact CB-OG 3.26Å; L288-S291 WeakPolarHBondContact CB-OG 3.32Å |
| 292 | T | 51.2 | Low | 55.1 | Low | 79 Ų | 79 | 73.6 Ų | 73.6 | 49% | 0.485 | 42% | 0.419 | S | S | . | . | | | trans | -106.8 | 124.1 | 170.1 | -60 | 0 | 0 | 0 | 0 | 109.3 | I294 | T292-I294 HydrophobicContact CG2-CG1 4.29Š|
| 293 | C | 57.7 | Low | 53.9 | Low | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.014 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 101 | -177.4 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | F264 C281 M285 | F264-C293 HydrophobicContact CB-CB 4.35Å; F264-C293 WeakPolarHBondContact CB-O 3.49Å; F264-C293 PolarHBondContact N-O 2.98Å; F264-C293 PolarHBondContact O-N 3.33Å; C281-C293 HydrophobicContact CB-CB 4.47Å; C281-C293 WeakPolarHBondContact CB-SG 3.49Å; C281-C293 WeakPolarHBondContact SG-CB 3.35Å; C281-C293 CovalentContact SG-SG 2.04Å; C281-C293 PolarHBondContact SG-SG 3.13Å; M285-C293 HydrophobicContact CE-CB 3.68Å; M285-C293 HydrophobicContact CG-CB 3.84Å; M285-C293 HydrophobicContact SD-CB 3.5Å; M285-C293 VanDerWaalsContact SD-CB 3.5Å |
| 294 | I | 54.9 | Low | 53.2 | Low | 50 Ų | 50 | 81 Ų | 81 | 26% | 0.256 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 137.1 | 171 | -51.4 | -174 | 0 | 0 | 0 | 108.5 | T261 L263 T292 K308 | T261-I294 HydrophobicContact CG2-CG2 4.21Å; L263-I294 HydrophobicContact CD1-CB 4.45Å; L263-I294 HydrophobicContact CD1-CD1 3.73Å; L263-I294 HydrophobicContact CD1-CG1 3.69Å; L263-I294 HydrophobicContact CD1-CG2 4.16Å; T292-I294 HydrophobicContact CG2-CG1 4.29Å; I294-K308 VanDerWaalsContact O-O 3.1Å |
| 295 | A | 52.3 | Low | 52.3 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 97.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F262 F264 L277 L307 | F262-A295 WeakPolarHBondContact CB-O 3.4Å; F262-A295 PolarHBondContact N-O 3.33Å; F262-A295 PolarHBondContact O-N 2.77Å; F264-A295 HydrophobicContact CD2-CB 4.43Å; F264-A295 HydrophobicContact CE2-CB 4.4Å; L277-A295 HydrophobicContact CD1-CB 4.23Å; L277-A295 HydrophobicContact CD2-CB 3.68Å; L277-A295 HydrophobicContact CG-CB 4.35Å; A295-L307 HydrophobicContact CB-CD1 3.54Å |
| 296 | T | 50.9 | Low | 51.3 | Low | 38 Ų | 38 | 81.7 Ų | 81.7 | 23% | 0.233 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.8 | 173.7 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | T261 S306 | T261-T296 HydrophobicContact CG2-CG2 4.11Å; T296-S306 VanDerWaalsContact O-O 3.13Å; T296-S306 PolarHBondContact OG1-O 2.58Å |
| 297 | L | 52.5 | Low | 50.9 | Low | 39 Ų | 39 | 80.1 Ų | 80.1 | 20% | 0.204 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 88.6 | 173.7 | -173.3 | 68.6 | 0 | 0 | 0 | 110.4 | E260 F262 N299 I304 | E260-L297 PolarHBondContact O-N 3.37Å; F262-L297 HydrophobicContact CE2-CB 4.3Å; L297-N299 PolarHBondContact O-N 3.17Å; L297-I304 HydrophobicContact CD1-CG2 4.33Å |
| 298 | Q | 48.7 | Very low | 50.7 | Low | 76 Ų | 76 | 81.1 Ų | 81.1 | 36% | 0.355 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111.8 | 174.8 | -171.2 | 172.5 | 92.7 | 0 | 0 | 110.9 | T257 N300 G305 | T257-Q298 HydrophobicContact CG2-CG 3.65Å; Q298-N300 PolarHBondContact O-N 3.29Å; Q298-N300 PolarHBondContact OE1-ND2 3.09Å; Q298-G305 WeakPolarHBondContact O-CA 3.28Å |
| 299 | N | 52.5 | Low | 50.6 | Low | 108 Ų | 108 | 83.2 Ų | 83.2 | 58% | 0.578 | 45% | 0.452 | S | S | * | . | | | trans | -89.7 | 83.1 | -178.5 | -175.6 | 12.1 | 0 | 0 | 0 | 112.2 | L297 G301 | L297-N299 PolarHBondContact O-N 3.17Å; N299-G301 VanDerWaalsContact C-N 3.33Å; N299-G301 PolarHBondContact O-N 2.88Å; N299-G301 VanDerWaalsContact O-N 3.1Å |
| 300 | N | 48.2 | Very low | 50.5 | Low | 93 Ų | 93 | 77.9 Ų | 77.9 | 50% | 0.497 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -85.4 | 73.1 | 174.9 | -71.5 | -32 | 0 | 0 | 0 | 111.6 | T257 Q298 S302 | T257-N300 VanDerWaalsContact CG2-OD1 3.25Å; T257-N300 WeakPolarHBondContact CG2-OD1 3.41Å; Q298-N300 PolarHBondContact O-N 3.29Å; Q298-N300 PolarHBondContact OE1-ND2 3.09Å; N300-S302 PolarHBondContact O-N 3.42Å |
| 301 | G | 52.7 | Low | 50.9 | Low | 75 Ų | 75 | 72.8 Ų | 72.8 | 77% | 0.773 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | -31.2 | 158 | 0 | 0 | 0 | 0 | 0 | 118.9 | N299 | N299-G301 VanDerWaalsContact C-N 3.33Å; N299-G301 PolarHBondContact O-N 2.88Å; N299-G301 VanDerWaalsContact O-N 3.1Å |
| 302 | S | 47.1 | Very low | 51.3 | Low | 117 Ų | 117 | 76.4 Ų | 76.4 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.9 | -0.7 | -179.8 | -143.8 | 0 | 0 | 0 | 0 | 115.8 | N300 | N300-S302 PolarHBondContact O-N 3.42Š|
| 303 | K | 43.2 | Very low | 51.5 | Low | 176 Ų | 176 | 78.8 Ų | 78.8 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | B | Isolated β-bridge | trans | -132 | 141.1 | 178.8 | -70.9 | -172.9 | 177.6 | -179.9 | 0 | 111.7 | | |
| 304 | I | 47.8 | Very low | 51.8 | Low | 169 Ų | 169 | 84.1 Ų | 84.1 | 87% | 0.867 | 47% | 0.466 | S | S | * | . | | | trans | -63.3 | 134.4 | -177.3 | -63.4 | 153 | 0 | 0 | 0 | 109.3 | L297 | L297-I304 HydrophobicContact CD1-CG2 4.33Š|
| 305 | G | 45.3 | Very low | 52.3 | Low | 20 Ų | 20 | 83.5 Ų | 83.5 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | | | trans | -70.6 | 162.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q298 L307 | Q298-G305 WeakPolarHBondContact O-CA 3.28Å; G305-L307 PolarHBondContact O-N 3.39Å |
| 306 | S | 43 | Very low | 52.8 | Low | 86 Ų | 86 | 86.7 Ų | 86.7 | 60% | 0.601 | 48% | 0.482 | S | S | * | . | | | trans | -75.7 | 108.7 | -178.1 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | T296 K308 | T296-S306 VanDerWaalsContact O-O 3.13Å; T296-S306 PolarHBondContact OG1-O 2.58Å; S306-K308 PolarHBondContact O-N 2.8Å |
| 307 | L | 51.3 | Low | 53.5 | Low | 65 Ų | 65 | 91.2 Ų | 91.2 | 34% | 0.34 | 50% | 0.501 | S | S | . | . | | | trans | -72.4 | 102.2 | 173.5 | 177.2 | 60.7 | 0 | 0 | 0 | 111.4 | L277 L280 A295 G305 I309 | L277-L307 HydrophobicContact CD1-CD1 4.41Å; L280-L307 HydrophobicContact CD2-CD2 3.84Å; A295-L307 HydrophobicContact CB-CD1 3.54Å; G305-L307 PolarHBondContact O-N 3.39Å; L307-I309 HydrophobicContact CD1-CG1 4.18Å; L307-I309 HydrophobicContact CD2-CD1 4.18Å; L307-I309 HydrophobicContact CD2-CG1 4.17Å; L307-I309 HydrophobicContact CG-CD1 4.42Å; L307-I309 HydrophobicContact CG-CG1 3.86Å |
| 308 | K | 50 | Low | 54.4 | Low | 115 Ų | 115 | 95.4 Ų | 95.4 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | | | trans | -91.1 | 94.2 | 169.7 | -171.7 | -150.3 | 176.3 | -162.7 | 0 | 110.3 | I294 S306 E310 | I294-K308 VanDerWaalsContact O-O 3.1Å; S306-K308 PolarHBondContact O-N 2.8Å; K308-E310 IonicContact NZ-OE1 2.59Å; K308-E310 PolarHBondContact NZ-OE1 2.95Å; K308-E310 IonicContact NZ-OE2 2.79Å; K308-E310 PolarHBondContact NZ-OE2 3.01Å |
| 309 | I | 57.7 | Low | 55.4 | Low | 60 Ų | 60 | 95.5 Ų | 95.5 | 31% | 0.308 | 52% | 0.52 | S | S | . | . | | | trans | -78.3 | 129.6 | 167.9 | -46 | -178.2 | 0 | 0 | 0 | 108.4 | F284 L307 V311 | F284-I309 HydrophobicContact CD1-CG2 4.45Å; F284-I309 HydrophobicContact CE1-CG2 4.1Å; L307-I309 HydrophobicContact CD1-CG1 4.18Å; L307-I309 HydrophobicContact CD2-CD1 4.18Å; L307-I309 HydrophobicContact CD2-CG1 4.17Å; L307-I309 HydrophobicContact CG-CD1 4.42Å; L307-I309 HydrophobicContact CG-CG1 3.86Å; I309-V311 HydrophobicContact CG2-CG2 3.75Å |
| 310 | E | 50.6 | Low | 56.1 | Low | 111 Ų | 111 | 96 Ų | 96 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | | | trans | -116 | 116.6 | 177.3 | -167.6 | 146.3 | -137.1 | 0 | 0 | 108.3 | K308 | K308-E310 IonicContact NZ-OE1 2.59Å; K308-E310 PolarHBondContact NZ-OE1 2.95Å; K308-E310 IonicContact NZ-OE2 2.79Å; K308-E310 PolarHBondContact NZ-OE2 3.01Å |
| 311 | V | 59.7 | Low | 57.2 | Low | 37 Ų | 37 | 94.3 Ų | 94.3 | 22% | 0.224 | 52% | 0.518 | C | S | . | . | | | trans | -121.9 | 141.3 | -171.2 | -168 | 0 | 0 | 0 | 0 | 108.7 | F284 L288 I309 I313 V316 | F284-V311 HydrophobicContact CE1-CG2 3.8Å; F284-V311 HydrophobicContact CZ-CG2 4.1Å; L288-V311 HydrophobicContact CD2-CG1 3.56Å; I309-V311 HydrophobicContact CG2-CG2 3.75Å; V311-I313 PolarHBondContact O-N 2.67Å; V311-I313 VanDerWaalsContact O-N 3.09Å; V311-V316 HydrophobicContact CB-CG2 4.14Å; V311-V316 HydrophobicContact CG1-CG2 3.54Å |
| 312 | D | 60.4 | Low | 58.2 | Low | 89 Ų | 89 | 96.5 Ų | 96.5 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | | | trans | -60.9 | 114.8 | 174.1 | -168.7 | -27.5 | 0 | 0 | 0 | 110.3 | N314 L315 V316 | D312-N314 PolarHBondContact O-N 3.27Å; D312-N314 WeakPolarHBondContact OD1-CB 3.27Å; D312-N314 PolarHBondContact OD1-N 3.28Å; D312-N314 PolarHBondContact OD1-ND2 3.1Å; D312-L315 HydrophobicContact CB-CB 4.32Å; D312-L315 PolarHBondContact O-N 2.9Å; D312-V316 PolarHBondContact O-N 3.01Å; D312-V316 VanDerWaalsContact O-N 3.12Å |
| 313 | I | 55.8 | Low | 59.3 | Low | 128 Ų | 128 | 95.8 Ų | 95.8 | 66% | 0.656 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.2 | -33.5 | -177.6 | -61.2 | 172.9 | 0 | 0 | 0 | 110.7 | V311 V316 Q317 | V311-I313 PolarHBondContact O-N 2.67Å; V311-I313 VanDerWaalsContact O-N 3.09Å; I313-V316 PolarHBondContact O-N 3.33Å; I313-Q317 VanDerWaalsContact O-CB 3.27Å; I313-Q317 WeakPolarHBondContact O-CB 3.3Å; I313-Q317 PolarHBondContact O-N 3.31Å |
| 314 | N | 63.8 | Low | 60.4 | Low | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -44.2 | 179.9 | -54.9 | -80.5 | 0 | 0 | 0 | 110.9 | D312 Q317 E318 | D312-N314 PolarHBondContact O-N 3.27Å; D312-N314 WeakPolarHBondContact OD1-CB 3.27Å; D312-N314 PolarHBondContact OD1-N 3.28Å; D312-N314 PolarHBondContact OD1-ND2 3.1Å; N314-Q317 PolarHBondContact O-N 3.27Å; N314-E318 PolarHBondContact O-N 3.29Å |
| 315 | L | 64.1 | Low | 61.4 | Low | 37 Ų | 37 | 93.8 Ų | 93.8 | 19% | 0.194 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 177.5 | -177.4 | 62.2 | 0 | 0 | 0 | 111.6 | L288 D312 E318 Q319 | L288-L315 HydrophobicContact CB-CD2 4.46Å; L288-L315 HydrophobicContact CD2-CD2 4.23Å; D312-L315 HydrophobicContact CB-CB 4.32Å; D312-L315 PolarHBondContact O-N 2.9Å; L315-E318 PolarHBondContact O-N 2.91Å; L315-Q319 WeakPolarHBondContact O-CG 3.31Å; L315-Q319 PolarHBondContact O-N 2.88Å |
| 316 | V | 63.8 | Low | 62.2 | Low | 66 Ų | 66 | 98.5 Ų | 98.5 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | V311 D312 I313 E318 Q319 L320 | V311-V316 HydrophobicContact CB-CG2 4.14Å; V311-V316 HydrophobicContact CG1-CG2 3.54Å; D312-V316 PolarHBondContact O-N 3.01Å; D312-V316 VanDerWaalsContact O-N 3.12Å; I313-V316 PolarHBondContact O-N 3.33Å; V316-E318 PolarHBondContact O-N 3.03Å; V316-Q319 PolarHBondContact O-N 3.48Å; V316-L320 WeakPolarHBondContact O-CB 3.29Å; V316-L320 PolarHBondContact O-N 3.42Å |
| 317 | Q | 65.1 | Low | 62.9 | Low | 133 Ų | 133 | 100.8 Ų | 100.8 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 179.2 | -177.2 | 171.9 | -25.7 | 0 | 0 | 112.3 | I313 N314 L320 S321 | I313-Q317 VanDerWaalsContact O-CB 3.27Å; I313-Q317 WeakPolarHBondContact O-CB 3.3Å; I313-Q317 PolarHBondContact O-N 3.31Å; N314-Q317 PolarHBondContact O-N 3.27Å; Q317-L320 PolarHBondContact O-N 3.04Å; Q317-S321 PolarHBondContact O-N 3.43Å; Q317-S321 PolarHBondContact O-OG 3.41Å |
| 318 | E | 72.3 | Confident | 63.1 | Low | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.6 | -37.3 | 177.3 | -169.9 | 174.9 | -173.2 | 0 | 0 | 113.1 | N314 L315 V316 L320 S321 K322 | N314-E318 PolarHBondContact O-N 3.29Å; L315-E318 PolarHBondContact O-N 2.91Å; V316-E318 PolarHBondContact O-N 3.03Å; E318-L320 VanDerWaalsContact C-N 3.33Å; E318-S321 WeakPolarHBondContact CA-OG 3.39Å; E318-S321 PolarHBondContact O-OG 2.65Å; E318-K322 VanDerWaalsContact O-CB 3.32Å; E318-K322 WeakPolarHBondContact O-CB 3.27Å; E318-K322 PolarHBondContact O-N 3.06Å |
| 319 | Q | 68.4 | Low | 63.2 | Low | 79 Ų | 79 | 107.2 Ų | 107.2 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 170.1 | -64.8 | -48.5 | -60.6 | 0 | 0 | 111.5 | L315 V316 K322 L323 | L315-Q319 WeakPolarHBondContact O-CG 3.31Å; L315-Q319 PolarHBondContact O-N 2.88Å; V316-Q319 PolarHBondContact O-N 3.48Å; Q319-K322 PolarHBondContact O-N 3.25Å; Q319-L323 WeakPolarHBondContact O-CB 3.14Å; Q319-L323 VanDerWaalsContact O-CG 3.31Å; Q319-L323 WeakPolarHBondContact O-CG 3.29Å; Q319-L323 PolarHBondContact O-N 3.37Å |
| 320 | L | 68.9 | Low | 63.1 | Low | 118 Ų | 118 | 108.4 Ų | 108.4 | 62% | 0.618 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.3 | -35.7 | 179.3 | -166.1 | 69.9 | 0 | 0 | 0 | 112.5 | V316 Q317 E318 K324 | V316-L320 WeakPolarHBondContact O-CB 3.29Å; V316-L320 PolarHBondContact O-N 3.42Å; Q317-L320 PolarHBondContact O-N 3.04Å; E318-L320 VanDerWaalsContact C-N 3.33Å; L320-K324 WeakPolarHBondContact O-CB 3.38Å; L320-K324 PolarHBondContact O-N 3.43Å |
| 321 | S | 70.4 | Confident | 63.2 | Low | 58 Ų | 58 | 108.9 Ų | 108.9 | 41% | 0.406 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 171.1 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | Q317 E318 K324 E325 | Q317-S321 PolarHBondContact O-N 3.43Å; Q317-S321 PolarHBondContact O-OG 3.41Å; E318-S321 WeakPolarHBondContact CA-OG 3.39Å; E318-S321 PolarHBondContact O-OG 2.65Å; S321-K324 CarbonylContact O-C 3.46Å; S321-K324 WeakPolarHBondContact O-CA 3.15Å; S321-K324 WeakPolarHBondContact O-CB 3.48Å; S321-K324 PolarHBondContact O-N 3.33Å; S321-K324 VanDerWaalsContact O-N 3.11Å; S321-E325 PolarHBondContact O-N 3.44Å |
| 322 | K | 74.3 | Confident | 62.9 | Low | 121 Ų | 121 | 113 Ų | 113 | 53% | 0.526 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.2 | -48.1 | 176.9 | -172.9 | 179.6 | 177.4 | -174 | 0 | 112.5 | E318 Q319 K324 E325 E326 | E318-K322 VanDerWaalsContact O-CB 3.32Å; E318-K322 WeakPolarHBondContact O-CB 3.27Å; E318-K322 PolarHBondContact O-N 3.06Å; Q319-K322 PolarHBondContact O-N 3.25Å; K322-K324 PolarHBondContact O-N 3.32Å; K322-E325 PolarHBondContact O-N 2.97Å; K322-E326 WeakPolarHBondContact O-CB 3.33Å; K322-E326 PolarHBondContact O-N 3.02Å |
| 323 | L | 69.3 | Low | 62.7 | Low | 101 Ų | 101 | 112.1 Ų | 112.1 | 53% | 0.529 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -31 | 174.8 | -74.1 | 170.5 | 0 | 0 | 0 | 112.4 | Q319 K327 | Q319-L323 WeakPolarHBondContact O-CB 3.14Å; Q319-L323 VanDerWaalsContact O-CG 3.31Å; Q319-L323 WeakPolarHBondContact O-CG 3.29Å; Q319-L323 PolarHBondContact O-N 3.37Å; L323-K327 VanDerWaalsContact O-CB 3.3Å; L323-K327 WeakPolarHBondContact O-CB 3.19Å; L323-K327 PolarHBondContact O-N 2.79Å |
| 324 | K | 67.2 | Low | 62.7 | Low | 159 Ų | 159 | 108.7 Ų | 108.7 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.2 | -35.8 | 175.1 | -173.8 | 177.9 | -178 | -178.1 | 0 | 112.3 | L320 S321 K322 K328 | L320-K324 WeakPolarHBondContact O-CB 3.38Å; L320-K324 PolarHBondContact O-N 3.43Å; S321-K324 CarbonylContact O-C 3.46Å; S321-K324 WeakPolarHBondContact O-CA 3.15Å; S321-K324 WeakPolarHBondContact O-CB 3.48Å; S321-K324 PolarHBondContact O-N 3.33Å; S321-K324 VanDerWaalsContact O-N 3.11Å; K322-K324 PolarHBondContact O-N 3.32Å; K324-K328 WeakPolarHBondContact O-CB 3.45Å; K324-K328 PolarHBondContact O-N 3.1Å |
| 325 | E | 67.8 | Low | 62.7 | Low | 145 Ų | 145 | 109.3 Ų | 109.3 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.4 | -42.1 | 171.8 | -69.7 | -164 | 144.2 | 0 | 0 | 111.9 | S321 K322 K328 L329 | S321-E325 PolarHBondContact O-N 3.44Å; K322-E325 PolarHBondContact O-N 2.97Å; E325-K328 CarbonylContact O-C 3.44Å; E325-K328 WeakPolarHBondContact O-CA 3.49Å; E325-K328 PolarHBondContact O-N 3.44Å; E325-K328 VanDerWaalsContact O-N 3.11Å; E325-L329 WeakPolarHBondContact O-CB 3.43Å; E325-L329 PolarHBondContact O-N 3.45Å |
| 326 | E | 62 | Low | 63.1 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.3 | -47.2 | 174.8 | -168.4 | 175.1 | 146.1 | 0 | 0 | 111.1 | K322 K328 L329 A330 | K322-E326 WeakPolarHBondContact O-CB 3.33Å; K322-E326 PolarHBondContact O-N 3.02Å; E326-K328 VanDerWaalsContact C-N 3.33Å; E326-K328 PolarHBondContact O-N 2.92Å; E326-L329 PolarHBondContact O-N 3.36Å; E326-L329 VanDerWaalsContact O-N 3.14Å; E326-A330 WeakPolarHBondContact O-CB 3.39Å; E326-A330 PolarHBondContact O-N 3.43Å |
| 327 | K | 57.4 | Low | 63.9 | Low | 133 Ų | 133 | 115 Ų | 115 | 58% | 0.578 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -38.4 | 171.5 | -174.4 | 171.3 | -170.3 | -77.7 | 0 | 112.2 | L323 L329 A330 E331 | L323-K327 VanDerWaalsContact O-CB 3.3Å; L323-K327 WeakPolarHBondContact O-CB 3.19Å; L323-K327 PolarHBondContact O-N 2.79Å; K327-L329 PolarHBondContact O-N 2.79Å; K327-A330 PolarHBondContact O-N 3.4Å; K327-E331 IonicContact NZ-OE2 2.64Å; K327-E331 PolarHBondContact NZ-OE2 2.97Å; K327-E331 WeakPolarHBondContact O-CB 3.36Å; K327-E331 PolarHBondContact O-N 3.31Å |
| 328 | K | 55.2 | Low | 64.8 | Low | 167 Ų | 167 | 112.1 Ų | 112.1 | 73% | 0.726 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.3 | -10.3 | 177.5 | -174.2 | 177.7 | 174.5 | -61.6 | 0 | 113.4 | K324 E325 E326 | K324-K328 WeakPolarHBondContact O-CB 3.45Å; K324-K328 PolarHBondContact O-N 3.1Å; E325-K328 CarbonylContact O-C 3.44Å; E325-K328 WeakPolarHBondContact O-CA 3.49Å; E325-K328 PolarHBondContact O-N 3.44Å; E325-K328 VanDerWaalsContact O-N 3.11Å; E326-K328 VanDerWaalsContact C-N 3.33Å; E326-K328 PolarHBondContact O-N 2.92Å |
| 329 | L | 54.1 | Low | 65.4 | Low | 148 Ų | 148 | 111.5 Ų | 111.5 | 78% | 0.775 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -98 | -34.1 | 171.5 | -167.8 | 69.3 | 0 | 0 | 0 | 112 | E325 E326 K327 | E325-L329 WeakPolarHBondContact O-CB 3.43Å; E325-L329 PolarHBondContact O-N 3.45Å; E326-L329 PolarHBondContact O-N 3.36Å; E326-L329 VanDerWaalsContact O-N 3.14Å; K327-L329 PolarHBondContact O-N 2.79Å |
| 330 | A | 54.6 | Low | 66.3 | Low | 85 Ų | 85 | 111.8 Ų | 111.8 | 70% | 0.702 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -80.2 | -26.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E326 K327 E332 | E326-A330 WeakPolarHBondContact O-CB 3.39Å; E326-A330 PolarHBondContact O-N 3.43Å; K327-A330 PolarHBondContact O-N 3.4Å; A330-E332 PolarHBondContact O-N 3.09Å |
| 331 | E | 52.4 | Low | 67.2 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -80.3 | 66.3 | 169.7 | -166.4 | 174.3 | 146.8 | 0 | 0 | 109.3 | K327 P333 | K327-E331 IonicContact NZ-OE2 2.64Å; K327-E331 PolarHBondContact NZ-OE2 2.97Å; K327-E331 WeakPolarHBondContact O-CB 3.36Å; K327-E331 PolarHBondContact O-N 3.31Å; E331-P333 WeakPolarHBondContact O-CD 3.41Å |
| 332 | E | 53.2 | Low | 68.3 | Low | 122 Ų | 122 | 111.6 Ų | 111.6 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | | | trans | -62.9 | 119.2 | 173.4 | -148.5 | -96.4 | 115.2 | 0 | 0 | 107.9 | A330 T334 | A330-E332 PolarHBondContact O-N 3.09Å; E332-T334 VanDerWaalsContact CD-OG1 3.26Å; E332-T334 PolarHBondContact O-N 3.24Å; E332-T334 WeakPolarHBondContact OE1-CB 3.44Å; E332-T334 WeakPolarHBondContact OE2-CB 3.48Å; E332-T334 PolarHBondContact OE2-OG1 3.1Å |
| 333 | P | 55.6 | Low | 69.1 | Low | 71 Ų | 71 | 111.6 Ų | 111.6 | 46% | 0.461 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | 47.5 | -166.5 | 34.7 | -37.4 | 0 | 0 | 0 | 111.4 | E331 N336 K337 | E331-P333 WeakPolarHBondContact O-CD 3.41Å; P333-N336 VanDerWaalsContact CA-OD1 3.25Å; P333-N336 WeakPolarHBondContact CA-OD1 3.5Å; P333-N336 PolarHBondContact O-OD1 2.63Å; P333-N336 VanDerWaalsContact O-OD1 3.1Å; P333-K337 PolarHBondContact O-NZ 3.02Å |
| 334 | T | 57.6 | Low | 70.3 | Confident | 57 Ų | 57 | 109.7 Ų | 109.7 | 35% | 0.35 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | -50.1 | -171.6 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | E332 N336 K337 T338 | E332-T334 VanDerWaalsContact CD-OG1 3.26Å; E332-T334 PolarHBondContact O-N 3.24Å; E332-T334 WeakPolarHBondContact OE1-CB 3.44Å; E332-T334 WeakPolarHBondContact OE2-CB 3.48Å; E332-T334 PolarHBondContact OE2-OG1 3.1Å; T334-N336 VanDerWaalsContact C-N 3.26Å; T334-N336 PolarHBondContact O-N 2.91Å; T334-K337 WeakPolarHBondContact O-CB 3.25Å; T334-K337 PolarHBondContact O-N 2.91Å; T334-T338 PolarHBondContact O-N 3.14Å; T334-T338 PolarHBondContact O-OG1 2.91Å; T334-T338 VanDerWaalsContact O-OG1 3.13Å |
| 335 | D | 62.8 | Low | 71.7 | Confident | 128 Ų | 128 | 105.5 Ų | 105.5 | 68% | 0.684 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -55 | -40 | 172.7 | -87 | -18.2 | 0 | 0 | 0 | 112.1 | K337 T338 L339 | D335-K337 VanDerWaalsContact C-N 3.3Å; D335-K337 PolarHBondContact O-N 2.99Å; D335-T338 PolarHBondContact O-N 3.1Å; D335-L339 WeakPolarHBondContact O-CB 3.37Å; D335-L339 PolarHBondContact O-N 3.11Å |
| 336 | N | 72.8 | Confident | 73 | Confident | 91 Ų | 91 | 101.6 Ų | 101.6 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -30 | 179.1 | 82.3 | -77.1 | 0 | 0 | 0 | 112.5 | P333 T334 T340 | P333-N336 VanDerWaalsContact CA-OD1 3.25Å; P333-N336 WeakPolarHBondContact CA-OD1 3.5Å; P333-N336 PolarHBondContact O-OD1 2.63Å; P333-N336 VanDerWaalsContact O-OD1 3.1Å; T334-N336 VanDerWaalsContact C-N 3.26Å; T334-N336 PolarHBondContact O-N 2.91Å; N336-T340 WeakPolarHBondContact O-CB 3.09Å; N336-T340 PolarHBondContact O-N 3.31Å; N336-T340 PolarHBondContact O-OG1 3.18Å |
| 337 | K | 80.4 | Confident | 74.5 | Confident | 132 Ų | 132 | 97.3 Ų | 97.3 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.3 | -45.4 | 173.5 | -63 | -169 | -175 | 79.7 | 0 | 110.6 | P333 T334 D335 T340 A341 | P333-K337 PolarHBondContact O-NZ 3.02Å; T334-K337 WeakPolarHBondContact O-CB 3.25Å; T334-K337 PolarHBondContact O-N 2.91Å; D335-K337 VanDerWaalsContact C-N 3.3Å; D335-K337 PolarHBondContact O-N 2.99Å; K337-T340 PolarHBondContact O-N 2.97Å; K337-A341 WeakPolarHBondContact O-CB 3.3Å; K337-A341 PolarHBondContact O-N 3.2Å |
| 338 | T | 84.1 | Confident | 76.3 | Confident | 72 Ų | 72 | 93.8 Ų | 93.8 | 44% | 0.442 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | T334 D335 T340 A341 I342 | T334-T338 PolarHBondContact O-N 3.14Å; T334-T338 PolarHBondContact O-OG1 2.91Å; T334-T338 VanDerWaalsContact O-OG1 3.13Å; D335-T338 PolarHBondContact O-N 3.1Å; T338-T340 PolarHBondContact O-N 3.43Å; T338-A341 PolarHBondContact O-N 2.84Å; T338-I342 HydrophobicContact CG2-CD1 3.97Å; T338-I342 VanDerWaalsContact O-CG1 3.3Å; T338-I342 WeakPolarHBondContact O-CG1 3.36Å; T338-I342 PolarHBondContact O-N 2.86Å |
| 339 | L | 84.9 | Confident | 78.2 | Confident | 114 Ų | 114 | 90.1 Ų | 90.1 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -39.9 | 175.3 | -177.4 | 147.1 | 0 | 0 | 0 | 111.9 | D335 I342 L343 | D335-L339 WeakPolarHBondContact O-CB 3.37Å; D335-L339 PolarHBondContact O-N 3.11Å; L339-I342 PolarHBondContact O-N 3.34Å; L339-L343 VanDerWaalsContact O-CB 3.29Å; L339-L343 WeakPolarHBondContact O-CB 3.45Å; L339-L343 PolarHBondContact O-N 3.11Å |
| 340 | T | 86.6 | Confident | 80.2 | Confident | 85 Ų | 85 | 87.8 Ų | 87.8 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | N336 K337 T338 L343 A344 | N336-T340 WeakPolarHBondContact O-CB 3.09Å; N336-T340 PolarHBondContact O-N 3.31Å; N336-T340 PolarHBondContact O-OG1 3.18Å; K337-T340 PolarHBondContact O-N 2.97Å; T338-T340 PolarHBondContact O-N 3.43Å; T340-L343 PolarHBondContact O-N 3.03Å; T340-A344 VanDerWaalsContact O-CB 3.27Å; T340-A344 WeakPolarHBondContact O-CB 3.49Å; T340-A344 PolarHBondContact O-N 3.01Å |
| 341 | A | 89.1 | Confident | 82.1 | Confident | 61 Ų | 61 | 88.3 Ų | 88.3 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K337 T338 S345 | K337-A341 WeakPolarHBondContact O-CB 3.3Å; K337-A341 PolarHBondContact O-N 3.2Å; T338-A341 PolarHBondContact O-N 2.84Å; A341-S345 VanDerWaalsContact O-CB 3.27Å; A341-S345 WeakPolarHBondContact O-CB 3.31Å; A341-S345 PolarHBondContact O-N 3.15Å |
| 342 | I | 92.6 | Very high | 84.2 | Confident | 111 Ų | 111 | 87.4 Ų | 87.4 | 57% | 0.569 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 174.3 | -69.1 | 164.8 | 0 | 0 | 0 | 110.5 | T338 L339 S345 C346 | T338-I342 HydrophobicContact CG2-CD1 3.97Å; T338-I342 VanDerWaalsContact O-CG1 3.3Å; T338-I342 WeakPolarHBondContact O-CG1 3.36Å; T338-I342 PolarHBondContact O-N 2.86Å; L339-I342 PolarHBondContact O-N 3.34Å; I342-S345 PolarHBondContact O-N 2.89Å; I342-C346 VanDerWaalsContact O-CB 3.32Å; I342-C346 WeakPolarHBondContact O-CB 3.39Å; I342-C346 PolarHBondContact O-N 3.29Å |
| 343 | L | 91.6 | Very high | 86.1 | Confident | 121 Ų | 121 | 86.9 Ų | 86.9 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 179.7 | -173.9 | 62.7 | 0 | 0 | 0 | 112 | L339 T340 G347 | L339-L343 VanDerWaalsContact O-CB 3.29Å; L339-L343 WeakPolarHBondContact O-CB 3.45Å; L339-L343 PolarHBondContact O-N 3.11Å; T340-L343 PolarHBondContact O-N 3.03Å; L343-G347 PolarHBondContact O-N 3.05Å |
| 344 | A | 94.2 | Very high | 88 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T340 G347 A348 | T340-A344 VanDerWaalsContact O-CB 3.27Å; T340-A344 WeakPolarHBondContact O-CB 3.49Å; T340-A344 PolarHBondContact O-N 3.01Å; A344-G347 PolarHBondContact O-N 3.46Å; A344-A348 WeakPolarHBondContact O-CB 3.1Å; A344-A348 PolarHBondContact O-N 3.12Å |
| 345 | S | 96.1 | Very high | 89.8 | Confident | 70 Ų | 70 | 90.5 Ų | 90.5 | 49% | 0.49 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | A341 I342 G347 A348 L349 | A341-S345 VanDerWaalsContact O-CB 3.27Å; A341-S345 WeakPolarHBondContact O-CB 3.31Å; A341-S345 PolarHBondContact O-N 3.15Å; I342-S345 PolarHBondContact O-N 2.89Å; S345-G347 PolarHBondContact O-N 3.46Å; S345-A348 PolarHBondContact O-N 2.9Å; S345-L349 WeakPolarHBondContact O-CG 3.49Å; S345-L349 PolarHBondContact O-N 3.03Å |
| 346 | C | 95.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 43% | 0.432 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | I342 A348 L349 L350 | I342-C346 VanDerWaalsContact O-CB 3.32Å; I342-C346 WeakPolarHBondContact O-CB 3.39Å; I342-C346 PolarHBondContact O-N 3.29Å; C346-A348 PolarHBondContact O-N 3.46Å; C346-L349 PolarHBondContact O-N 2.98Å; C346-L350 WeakPolarHBondContact O-CG 3.41Å; C346-L350 PolarHBondContact O-N 3.43Å |
| 347 | G | 95.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 86.6 Ų | 86.6 | 30% | 0.299 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L343 A344 S345 L350 I351 | L343-G347 PolarHBondContact O-N 3.05Å; A344-G347 PolarHBondContact O-N 3.46Å; S345-G347 PolarHBondContact O-N 3.46Å; G347-L350 PolarHBondContact O-N 3.3Å; G347-I351 VanDerWaalsContact O-CG1 3.29Å; G347-I351 WeakPolarHBondContact O-CG1 3.32Å; G347-I351 PolarHBondContact O-N 3.02Å |
| 348 | A | 94.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 83.6 Ų | 83.6 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A344 S345 C346 I351 M352 | A344-A348 WeakPolarHBondContact O-CB 3.1Å; A344-A348 PolarHBondContact O-N 3.12Å; S345-A348 PolarHBondContact O-N 2.9Å; C346-A348 PolarHBondContact O-N 3.46Å; A348-I351 PolarHBondContact O-N 3.41Å; A348-M352 WeakPolarHBondContact O-CB 3.26Å; A348-M352 PolarHBondContact O-N 2.87Å |
| 349 | L | 94.9 | Very high | 92.7 | Very high | 90 Ų | 90 | 83.1 Ų | 83.1 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 175.5 | -71.6 | 169.6 | 0 | 0 | 0 | 112 | S345 C346 I351 M352 I353 | S345-L349 WeakPolarHBondContact O-CG 3.49Å; S345-L349 PolarHBondContact O-N 3.03Å; C346-L349 PolarHBondContact O-N 2.98Å; L349-I351 PolarHBondContact O-N 2.86Å; L349-M352 HydrophobicContact CD2-CE 4.32Å; L349-M352 WeakPolarHBondContact O-CB 3.42Å; L349-M352 PolarHBondContact O-N 3.43Å; L349-I353 WeakPolarHBondContact O-CD1 3.47Å; L349-I353 VanDerWaalsContact O-CG1 3.27Å; L349-I353 WeakPolarHBondContact O-CG1 3.45Å; L349-I353 PolarHBondContact O-N 2.91Å |
| 350 | L | 95.9 | Very high | 92.9 | Very high | 99 Ų | 99 | 81.2 Ų | 81.2 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.3 | -70.7 | 171.3 | 0 | 0 | 0 | 111.9 | C346 G347 I353 I354 | C346-L350 WeakPolarHBondContact O-CG 3.41Å; C346-L350 PolarHBondContact O-N 3.43Å; G347-L350 PolarHBondContact O-N 3.3Å; L350-I353 PolarHBondContact O-N 3.45Å; L350-I354 VanDerWaalsContact O-CG1 3.28Å; L350-I354 WeakPolarHBondContact O-CG1 3.29Å; L350-I354 PolarHBondContact O-N 3.31Å |
| 351 | I | 95.1 | Very high | 92.7 | Very high | 96 Ų | 96 | 80.9 Ų | 80.9 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.6 | -68.9 | 165.3 | 0 | 0 | 0 | 110.7 | G347 A348 L349 I353 I354 I355 | G347-I351 VanDerWaalsContact O-CG1 3.29Å; G347-I351 WeakPolarHBondContact O-CG1 3.32Å; G347-I351 PolarHBondContact O-N 3.02Å; A348-I351 PolarHBondContact O-N 3.41Å; L349-I351 PolarHBondContact O-N 2.86Å; I351-I353 PolarHBondContact O-N 3.49Å; I351-I354 PolarHBondContact O-N 2.87Å; I351-I355 HydrophobicContact CG2-CD1 3.77Å; I351-I355 HydrophobicContact CG2-CG1 4.47Å; I351-I355 VanDerWaalsContact O-CG1 3.31Å; I351-I355 WeakPolarHBondContact O-CG1 3.19Å; I351-I355 PolarHBondContact O-N 2.89Å |
| 352 | M | 94.8 | Very high | 92.2 | Very high | 102 Ų | 102 | 84.5 Ų | 84.5 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 175.6 | -171.5 | -159.4 | -59.2 | 0 | 0 | 111.5 | A348 L349 I354 I355 L356 | A348-M352 WeakPolarHBondContact O-CB 3.26Å; A348-M352 PolarHBondContact O-N 2.87Å; L349-M352 HydrophobicContact CD2-CE 4.32Å; L349-M352 WeakPolarHBondContact O-CB 3.42Å; L349-M352 PolarHBondContact O-N 3.43Å; M352-I354 PolarHBondContact O-N 3.46Å; M352-I355 PolarHBondContact O-N 2.97Å; M352-L356 HydrophobicContact CG-CD1 4.2Å; M352-L356 WeakPolarHBondContact O-CB 3.48Å; M352-L356 PolarHBondContact O-N 2.87Å |
| 353 | I | 94.9 | Very high | 91.3 | Very high | 111 Ų | 111 | 90 Ų | 90 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 179.3 | -68.9 | 163 | 0 | 0 | 0 | 111.1 | L349 L350 I351 L356 G357 | L349-I353 WeakPolarHBondContact O-CD1 3.47Å; L349-I353 VanDerWaalsContact O-CG1 3.27Å; L349-I353 WeakPolarHBondContact O-CG1 3.45Å; L349-I353 PolarHBondContact O-N 2.91Å; L350-I353 PolarHBondContact O-N 3.45Å; I351-I353 PolarHBondContact O-N 3.49Å; I353-L356 PolarHBondContact O-N 3.19Å; I353-G357 PolarHBondContact O-N 3Å |
| 354 | I | 95.1 | Very high | 90.1 | Very high | 113 Ų | 113 | 93.8 Ų | 93.8 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 175.8 | -69.1 | 164 | 0 | 0 | 0 | 110.7 | L350 I351 M352 G357 V358 | L350-I354 VanDerWaalsContact O-CG1 3.28Å; L350-I354 WeakPolarHBondContact O-CG1 3.29Å; L350-I354 PolarHBondContact O-N 3.31Å; I351-I354 PolarHBondContact O-N 2.87Å; M352-I354 PolarHBondContact O-N 3.46Å; I354-G357 PolarHBondContact O-N 3.25Å; I354-V358 WeakPolarHBondContact O-CB 3.26Å; I354-V358 VanDerWaalsContact O-CG2 3.29Å; I354-V358 WeakPolarHBondContact O-CG2 3.46Å; I354-V358 PolarHBondContact O-N 2.85Å |
| 355 | I | 93.9 | Very high | 88.5 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.2 | -68.4 | 167.4 | 0 | 0 | 0 | 110.6 | I351 M352 V358 C359 | I351-I355 HydrophobicContact CG2-CD1 3.77Å; I351-I355 HydrophobicContact CG2-CG1 4.47Å; I351-I355 VanDerWaalsContact O-CG1 3.31Å; I351-I355 WeakPolarHBondContact O-CG1 3.19Å; I351-I355 PolarHBondContact O-N 2.89Å; M352-I355 PolarHBondContact O-N 2.97Å; I355-V358 PolarHBondContact O-N 3.12Å; I355-C359 WeakPolarHBondContact O-CB 3.31Å; I355-C359 PolarHBondContact O-N 3.45Å; I355-C359 PolarHBondContact O-SG 3.38Å |
| 356 | L | 91.9 | Very high | 86.5 | Confident | 100 Ų | 100 | 100.2 Ų | 100.2 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 176.4 | -98.1 | 59.9 | 0 | 0 | 0 | 111.9 | M352 I353 V358 C359 V360 | M352-L356 HydrophobicContact CG-CD1 4.2Å; M352-L356 WeakPolarHBondContact O-CB 3.48Å; M352-L356 PolarHBondContact O-N 2.87Å; I353-L356 PolarHBondContact O-N 3.19Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 2.99Å; L356-C359 PolarHBondContact O-N 2.89Å; L356-V360 WeakPolarHBondContact O-CB 3.26Å; L356-V360 WeakPolarHBondContact O-CG2 3.22Å; L356-V360 PolarHBondContact O-N 3.46Å |
| 357 | G | 92 | Very high | 84.5 | Confident | 36 Ų | 36 | 102.3 Ų | 102.3 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I353 I354 S361 | I353-G357 PolarHBondContact O-N 3Å; I354-G357 PolarHBondContact O-N 3.25Å; G357-S361 VanDerWaalsContact O-CB 3.25Å; G357-S361 WeakPolarHBondContact O-CB 3.27Å; G357-S361 PolarHBondContact O-N 3.29Å; G357-S361 PolarHBondContact O-OG 3.47Å |
| 358 | V | 90.8 | Very high | 82.6 | Confident | 69 Ų | 69 | 104.6 Ų | 104.6 | 42% | 0.418 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | I354 I355 L356 S361 Q362 | I354-V358 WeakPolarHBondContact O-CB 3.26Å; I354-V358 VanDerWaalsContact O-CG2 3.29Å; I354-V358 WeakPolarHBondContact O-CG2 3.46Å; I354-V358 PolarHBondContact O-N 2.85Å; I355-V358 PolarHBondContact O-N 3.12Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 2.99Å; V358-S361 PolarHBondContact O-N 2.87Å; V358-Q362 HydrophobicContact CG1-CG 4.48Å; V358-Q362 VanDerWaalsContact CG1-NE2 3.29Å; V358-Q362 WeakPolarHBondContact O-CB 3.03Å; V358-Q362 VanDerWaalsContact O-CG 3.3Å; V358-Q362 WeakPolarHBondContact O-CG 3.29Å; V358-Q362 PolarHBondContact O-N 3.48Å |
| 359 | C | 87.5 | Confident | 80.8 | Confident | 62 Ų | 62 | 108.5 Ų | 108.5 | 42% | 0.419 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 177.5 | -73.6 | 0 | 0 | 0 | 0 | 112.3 | I355 L356 Q362 R363 | I355-C359 WeakPolarHBondContact O-CB 3.31Å; I355-C359 PolarHBondContact O-N 3.45Å; I355-C359 PolarHBondContact O-SG 3.38Å; L356-C359 PolarHBondContact O-N 2.89Å; C359-Q362 PolarHBondContact O-N 3.12Å; C359-R363 WeakPolarHBondContact O-CB 3.37Å; C359-R363 WeakPolarHBondContact O-CG 3.44Å; C359-R363 PolarHBondContact O-N 3.42Å |
| 360 | V | 87.9 | Confident | 78.9 | Confident | 74 Ų | 74 | 109.1 Ų | 109.1 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L356 Q362 R363 R364 | L356-V360 WeakPolarHBondContact O-CB 3.26Å; L356-V360 WeakPolarHBondContact O-CG2 3.22Å; L356-V360 PolarHBondContact O-N 3.46Å; V360-Q362 PolarHBondContact O-N 2.96Å; V360-R363 PolarHBondContact O-N 3.02Å; V360-R364 HydrophobicContact CG1-CG 4.3Å; V360-R364 WeakPolarHBondContact O-CB 3.19Å; V360-R364 WeakPolarHBondContact O-CG 3.09Å; V360-R364 PolarHBondContact O-N 3.02Å |
| 361 | S | 82.9 | Confident | 76.9 | Confident | 78 Ų | 78 | 109.6 Ų | 109.6 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 176 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | G357 V358 K365 | G357-S361 VanDerWaalsContact O-CB 3.25Å; G357-S361 WeakPolarHBondContact O-CB 3.27Å; G357-S361 PolarHBondContact O-N 3.29Å; G357-S361 PolarHBondContact O-OG 3.47Å; V358-S361 PolarHBondContact O-N 2.87Å; S361-K365 VanDerWaalsContact O-CB 3.3Å; S361-K365 WeakPolarHBondContact O-CB 3.48Å; S361-K365 PolarHBondContact O-N 3.46Å |
| 362 | Q | 78.9 | Confident | 75 | Confident | 138 Ų | 138 | 110.9 Ų | 110.9 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.6 | -35.9 | 173.5 | -71.6 | 175.1 | 14.5 | 0 | 0 | 112.3 | V358 C359 V360 | V358-Q362 HydrophobicContact CG1-CG 4.48Å; V358-Q362 VanDerWaalsContact CG1-NE2 3.29Å; V358-Q362 WeakPolarHBondContact O-CB 3.03Å; V358-Q362 VanDerWaalsContact O-CG 3.3Å; V358-Q362 WeakPolarHBondContact O-CG 3.29Å; V358-Q362 PolarHBondContact O-N 3.48Å; C359-Q362 PolarHBondContact O-N 3.12Å; V360-Q362 PolarHBondContact O-N 2.96Å |
| 363 | R | 73.3 | Confident | 73.1 | Confident | 227 Ų | 227 | 112.1 Ų | 112.1 | 86% | 0.857 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -72.2 | -31.4 | 176.5 | -72 | -71.7 | -171.5 | -167.3 | 1.7 | 113.2 | C359 V360 | C359-R363 WeakPolarHBondContact O-CB 3.37Å; C359-R363 WeakPolarHBondContact O-CG 3.44Å; C359-R363 PolarHBondContact O-N 3.42Å; V360-R363 PolarHBondContact O-N 3.02Å |
| 364 | R | 67.8 | Low | 71.1 | Confident | 199 Ų | 199 | 111.7 Ų | 111.7 | 75% | 0.751 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -84.5 | -10.3 | 179.5 | -73 | -174 | 174.4 | -150.4 | -2.4 | 114.3 | V360 Y367 | V360-R364 HydrophobicContact CG1-CG 4.3Å; V360-R364 WeakPolarHBondContact O-CB 3.19Å; V360-R364 WeakPolarHBondContact O-CG 3.09Å; V360-R364 PolarHBondContact O-N 3.02Å; R364-Y367 PolarHBondContact O-N 3.14Å |
| 365 | K | 58.9 | Low | 69.1 | Low | 168 Ų | 168 | 109.8 Ų | 109.8 | 73% | 0.73 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 96.5 | -173.7 | -157.4 | 170 | -169.7 | 173.5 | 0 | 110.2 | S361 | S361-K365 VanDerWaalsContact O-CB 3.3Å; S361-K365 WeakPolarHBondContact O-CB 3.48Å; S361-K365 PolarHBondContact O-N 3.46Å |
| 366 | P | 54.9 | Low | 67.3 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -125.4 | 114.3 | 20.4 | 35.5 | -17.1 | 0 | 0 | 0 | 114.7 | N368 | P366-N368 WeakPolarHBondContact CA-OD1 3.24Š|
| 367 | Y | 53.1 | Low | 65.4 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 42% | 0.42 | 56% | 0.564 | S | S | . | * | | | trans | -121 | 7 | 155.2 | -160.3 | -111.6 | 0 | 0 | 0 | 112.1 | R364 E369 N370 Q371 | R364-Y367 PolarHBondContact O-N 3.14Å; Y367-E369 PolarHBondContact O-N 3.14Å; Y367-E369 VanDerWaalsContact O-N 3.16Å; Y367-N370 HydrophobicContact CD2-CB 4.42Å; Y367-N370 HydrophobicContact CE2-CB 3.95Å; Y367-Q371 HydrophobicContact CD1-CB 3.65Å; Y367-Q371 HydrophobicContact CD1-CG 4.15Å; Y367-Q371 HydrophobicContact CE1-CB 3.73Å; Y367-Q371 HydrophobicContact CE1-CG 4.06Å; Y367-Q371 WeakPolarHBondContact O-CB 3.35Å; Y367-Q371 PolarHBondContact O-N 3.24Å; Y367-Q371 VanDerWaalsContact O-N 3.15Å |
| 368 | N | 55.2 | Low | 63.7 | Low | 78 Ų | 78 | 118 Ų | 118 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | 2.6 | -178 | 58.5 | -93.1 | 0 | 0 | 0 | 115.6 | P366 | P366-N368 WeakPolarHBondContact CA-OD1 3.24Š|
| 369 | E | 58.3 | Low | 61.7 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 66% | 0.659 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | -51.8 | 178.8 | -78.3 | 156.3 | -126.8 | 0 | 0 | 110.2 | Y367 Q371 | Y367-E369 PolarHBondContact O-N 3.14Å; Y367-E369 VanDerWaalsContact O-N 3.16Å; E369-Q371 PolarHBondContact O-N 3.21Å |
| 370 | N | 54.6 | Low | 60.1 | Low | 103 Ų | 103 | 123.4 Ų | 123.4 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.6 | -30 | 175.5 | -62.1 | -44.3 | 0 | 0 | 0 | 113.3 | Y367 L374 | Y367-N370 HydrophobicContact CD2-CB 4.42Å; Y367-N370 HydrophobicContact CE2-CB 3.95Å; N370-L374 PolarHBondContact O-N 3.25Å |
| 371 | Q | 53.2 | Low | 58.4 | Low | 108 Ų | 108 | 125.4 Ų | 125.4 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -75 | -27.6 | -176.6 | -163.4 | 156.1 | 54.4 | 0 | 0 | 113.5 | Y367 E369 L374 T375 | Y367-Q371 HydrophobicContact CD1-CB 3.65Å; Y367-Q371 HydrophobicContact CD1-CG 4.15Å; Y367-Q371 HydrophobicContact CE1-CB 3.73Å; Y367-Q371 HydrophobicContact CE1-CG 4.06Å; Y367-Q371 WeakPolarHBondContact O-CB 3.35Å; Y367-Q371 PolarHBondContact O-N 3.24Å; Y367-Q371 VanDerWaalsContact O-N 3.15Å; E369-Q371 PolarHBondContact O-N 3.21Å; Q371-L374 PolarHBondContact O-N 2.04Å; Q371-T375 WeakPolarHBondContact O-CG2 2.94Å; Q371-T375 PolarHBondContact O-N 2.75Å; Q371-T375 PolarHBondContact O-OG1 3.36Å; Q371-T375 VanDerWaalsContact O-OG1 3.06Å |
| 372 | L | 56.1 | Low | 57.2 | Low | 123 Ų | 123 | 129.9 Ų | 129.9 | 64% | 0.644 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.3 | -47.5 | 173.9 | -81.5 | 168.8 | 0 | 0 | 0 | 110.8 | L374 T375 E376 | L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.18Å; L372-T375 WeakPolarHBondContact CA-OG1 3.13Å; L372-T375 PolarHBondContact O-N 2.9Å; L372-T375 VanDerWaalsContact O-N 3.09Å; L372-T375 PolarHBondContact O-OG1 2.97Å; L372-E376 PolarHBondContact O-N 3.45Å |
| 373 | H | 53.1 | Low | 55.9 | Low | 128 Ų | 128 | 129.4 Ų | 129.4 | 59% | 0.593 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.2 | -39.3 | 177.1 | -153 | -141.2 | 0 | 0 | 0 | 111.9 | E376 E377 | H373-E376 PolarHBondContact O-N 3.21Å; H373-E377 PolarHBondContact O-N 2.86Å |
| 374 | L | 53.6 | Low | 55.3 | Low | 102 Ų | 102 | 121.6 Ų | 121.6 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.5 | -24.1 | 174.2 | -97.6 | 65.6 | 0 | 0 | 0 | 114.1 | N370 Q371 L372 L378 | N370-L374 PolarHBondContact O-N 3.25Å; Q371-L374 PolarHBondContact O-N 2.04Å; L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.18Å; L374-L378 WeakPolarHBondContact O-CB 3.33Å; L374-L378 PolarHBondContact O-N 3.09Å |
| 375 | T | 53.9 | Low | 54.4 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -83.7 | -18.9 | 172.8 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | Q371 L372 H379 | Q371-T375 WeakPolarHBondContact O-CG2 2.94Å; Q371-T375 PolarHBondContact O-N 2.75Å; Q371-T375 PolarHBondContact O-OG1 3.36Å; Q371-T375 VanDerWaalsContact O-OG1 3.06Å; L372-T375 WeakPolarHBondContact CA-OG1 3.13Å; L372-T375 PolarHBondContact O-N 2.9Å; L372-T375 VanDerWaalsContact O-N 3.09Å; L372-T375 PolarHBondContact O-OG1 2.97Å; T375-H379 VanDerWaalsContact O-CB 3.29Å; T375-H379 WeakPolarHBondContact O-CB 3.49Å; T375-H379 PolarHBondContact O-N 2.81Å |
| 376 | E | 55.3 | Low | 54.2 | Low | 129 Ų | 129 | 120.9 Ų | 120.9 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.5 | -53.1 | 169.7 | -170 | 165.8 | -171.6 | 0 | 0 | 109.6 | L372 H373 L378 H379 T380 | L372-E376 PolarHBondContact O-N 3.45Å; H373-E376 PolarHBondContact O-N 3.21Å; E376-L378 VanDerWaalsContact C-N 3.31Å; E376-L378 PolarHBondContact O-N 2.97Å; E376-H379 PolarHBondContact O-N 2.86Å; E376-T380 WeakPolarHBondContact O-CG2 3.49Å; E376-T380 PolarHBondContact O-N 2.59Å; E376-T380 PolarHBondContact O-OG1 3.4Å |
| 377 | E | 53.3 | Low | 54 | Low | 137 Ų | 137 | 123.4 Ų | 123.4 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.6 | -24.9 | 178.8 | -69.2 | -70.3 | 120.3 | 0 | 0 | 114.8 | H373 T380 V381 | H373-E377 PolarHBondContact O-N 2.86Å; E377-T380 PolarHBondContact O-OG1 3.29Å; E377-V381 WeakPolarHBondContact O-CG2 3.19Å |
| 378 | L | 54.5 | Low | 53.6 | Low | 135 Ų | 135 | 123.6 Ų | 123.6 | 71% | 0.707 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -90.2 | -27.1 | -179.4 | -162.5 | 70.6 | 0 | 0 | 0 | 113.3 | L374 E376 | L374-L378 WeakPolarHBondContact O-CB 3.33Å; L374-L378 PolarHBondContact O-N 3.09Å; E376-L378 VanDerWaalsContact C-N 3.31Å; E376-L378 PolarHBondContact O-N 2.97Å |
| 379 | H | 49.3 | Very low | 53.7 | Low | 147 Ų | 147 | 125.7 Ų | 125.7 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -91.7 | -19.7 | -173.8 | -148.7 | -173.8 | 0 | 0 | 0 | 112.6 | T375 E376 V381 | T375-H379 VanDerWaalsContact O-CB 3.29Å; T375-H379 WeakPolarHBondContact O-CB 3.49Å; T375-H379 PolarHBondContact O-N 2.81Å; E376-H379 PolarHBondContact O-N 2.86Å; H379-V381 VanDerWaalsContact C-N 3.26Å; H379-V381 PolarHBondContact O-N 3.06Å |
| 380 | T | 53.5 | Low | 53.2 | Low | 98 Ų | 98 | 123.9 Ų | 123.9 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -20.7 | 169.9 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | E376 E377 | E376-T380 WeakPolarHBondContact O-CG2 3.49Å; E376-T380 PolarHBondContact O-N 2.59Å; E376-T380 PolarHBondContact O-OG1 3.4Å; E377-T380 PolarHBondContact O-OG1 3.29Å |
| 381 | V | 52.9 | Low | 53 | Low | 115 Ų | 115 | 126 Ų | 126 | 70% | 0.697 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -19.4 | -178.3 | -150.7 | 0 | 0 | 0 | 0 | 113.2 | E377 H379 | E377-V381 WeakPolarHBondContact O-CG2 3.19Å; H379-V381 VanDerWaalsContact C-N 3.26Å; H379-V381 PolarHBondContact O-N 3.06Å |
| 382 | E | 56.7 | Low | 52.9 | Low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -24.3 | 179.4 | -163.9 | 172.9 | 154.7 | 0 | 0 | 113.1 | G384 | E382-G384 PolarHBondContact O-N 3.25Š|
| 383 | N | 52.1 | Low | 52.8 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | | | trans | -80.9 | 54.7 | 179.8 | -159.6 | 99 | 0 | 0 | 0 | 112.8 | Y385 | N383-Y385 VanDerWaalsContact C-N 3.27Å; N383-Y385 PolarHBondContact O-N 2.64Å |
| 384 | G | 61 | Low | 52.4 | Low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | | | trans | -74.3 | 67 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E382 | E382-G384 PolarHBondContact O-N 3.25Š|
| 385 | Y | 48.3 | Very low | 52.7 | Low | 191 Ų | 191 | 135.3 Ų | 135.3 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | | | trans | -136 | 109.4 | 163.9 | -138 | -102.3 | 0 | 0 | 0 | 108.3 | N383 D387 | N383-Y385 VanDerWaalsContact C-N 3.27Å; N383-Y385 PolarHBondContact O-N 2.64Å; Y385-D387 PolarHBondContact O-N 2.79Å; Y385-D387 VanDerWaalsContact O-N 3.15Å |
| 386 | H | 55 | Low | 52.5 | Low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | | | | 58.8 | 24.2 | 77.4 | -65.8 | -65 | 0 | 0 | 0 | 114.7 | | |
| 387 | D | 51.9 | Low | 52 | Low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | | | trans | -90.5 | 106.8 | 146.4 | -144.3 | -26.7 | 0 | 0 | 0 | 109.1 | Y385 P389 | Y385-D387 PolarHBondContact O-N 2.79Å; Y385-D387 VanDerWaalsContact O-N 3.15Å; D387-P389 WeakPolarHBondContact O-CD 3.25Å |
| 388 | N | 44.7 | Very low | 52 | Low | 111 Ų | 111 | 138.1 Ų | 138.1 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | | | trans | -110.8 | 99.8 | -175.4 | 174 | 29.6 | 0 | 0 | 0 | 107.3 | T390 | N388-T390 PolarHBondContact O-N 3.1Å; N388-T390 WeakPolarHBondContact OD1-CB 3.33Å; N388-T390 PolarHBondContact OD1-OG1 3.02Å |
| 389 | P | 55.6 | Low | 52.2 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | | | trans | -75.9 | 49.1 | -177.4 | 33.4 | -37.3 | 0 | 0 | 0 | 112 | D387 | D387-P389 WeakPolarHBondContact O-CD 3.25Š|
| 390 | T | 49 | Very low | 51.8 | Low | 102 Ų | 102 | 139.6 Ų | 139.6 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | trans | -124.7 | 36.4 | -176.7 | -42 | 0 | 0 | 0 | 0 | 110.1 | N388 | N388-T390 PolarHBondContact O-N 3.1Å; N388-T390 WeakPolarHBondContact OD1-CB 3.33Å; N388-T390 PolarHBondContact OD1-OG1 3.02Å |
| 391 | L | 50.7 | Low | 51.5 | Low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | trans | -150.2 | 36.2 | 168.1 | -136.6 | 128.6 | 0 | 0 | 0 | 116.1 | V393 | L391-V393 HydrophobicContact CD2-CG2 3.95Å; L391-V393 HydrophobicContact CG-CG2 3.89Å |
| 392 | E | 51.1 | Low | 51.5 | Low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -109.6 | 101.7 | 137.1 | 52.3 | -178.6 | -174.6 | 0 | 0 | 106 | | |
| 393 | V | 53.9 | Low | 51 | Low | 110 Ų | 110 | 145.2 Ų | 145.2 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | | | cis | 55.1 | 60.5 | 45.5 | -162.9 | 0 | 0 | 0 | 0 | 111.5 | L391 | L391-V393 HydrophobicContact CD2-CG2 3.95Å; L391-V393 HydrophobicContact CG-CG2 3.89Å |
| 394 | M | 43.7 | Very low | 50.7 | Low | 174 Ų | 174 | 148 Ų | 148 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | | | trans | -122.8 | 129.3 | 133.3 | -115.6 | -179.6 | 62.9 | 0 | 0 | 109.4 | V396 | M394-V396 PolarHBondContact O-N 2.84Š|
| 395 | E | 59.5 | Low | 49.9 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -72.2 | 114.6 | -176.7 | -60.7 | 162.4 | 105.5 | 0 | 0 | 110.7 | | |
| 396 | V | 50.4 | Low | 49.8 | Very low | 137 Ų | 137 | 150 Ų | 150 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | -133.7 | 127.5 | 154.1 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | M394 | M394-V396 PolarHBondContact O-N 2.84Š|
| 397 | Q | 44.5 | Very low | 49.4 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -85 | -175.2 | -172 | -135.1 | -153 | -15.3 | 0 | 0 | 111.4 | | |
| 398 | P | 54.1 | Low | 48.9 | Very low | 86 Ų | 86 | 150.9 Ų | 150.9 | 56% | 0.558 | 78% | 0.782 | S | S | * | * | | | | -116.5 | -155.7 | -117.9 | 37.8 | -17.9 | 0 | 0 | 0 | 112.3 | | |
| 399 | E | 58.1 | Low | 48.9 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 48.3 | 108.8 | 137.1 | -170.7 | -175.5 | 167.6 | 0 | 0 | 118.1 | | |
| 400 | M | 41.7 | Very low | 48.5 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -174.9 | 140.4 | 133.9 | -95.9 | -90.4 | 168.4 | 0 | 0 | 112.6 | | |
| 401 | Q | 47.3 | Very low | 48.3 | Very low | 134 Ų | 134 | 156.2 Ų | 156.2 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | | | trans | 69.2 | 70.3 | 149.4 | -64.8 | 175.9 | 38 | 0 | 0 | 119.7 | K403 | Q401-K403 PolarHBondContact O-N 3.48Š|
| 402 | E | 51.7 | Low | 48.1 | Very low | 190 Ų | 190 | 153.3 Ų | 153.3 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | | -0.3 | 64.3 | 109.5 | 52.5 | 165.1 | 176.4 | 0 | 0 | 118.5 | | |
| 403 | K | 46.3 | Very low | 47.6 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | trans | -163.5 | 137.3 | 162.8 | -110.2 | 153.7 | -174.9 | 158.6 | 0 | 109.8 | Q401 | Q401-K403 PolarHBondContact O-N 3.48Š|
| 404 | K | 46.8 | Very low | 47.5 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | cis | -138.8 | 151.8 | 19.5 | -59.5 | 170.6 | -177.2 | 170.4 | 0 | 111.2 | | |
| 405 | M | 43.6 | Very low | 47.8 | Very low | 194 Ų | 194 | 155.3 Ų | 155.3 | 96% | 0.956 | 80% | 0.798 | S | S | * | * | | | trans | -64.1 | 135.4 | 157.4 | -67.5 | 161.6 | 170.4 | 0 | 0 | 110 | | |
| 406 | A | 45.2 | Very low | 47.3 | Very low | 101 Ų | 101 | 153.9 Ų | 153.9 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -139.9 | 92.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | N408 | A406-N408 PolarHBondContact O-N 2.8Š|
| 407 | L | 47.2 | Very low | 47.1 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -78.5 | 112.9 | -172.1 | 176 | 146.5 | 0 | 0 | 0 | 111.1 | | |
| 408 | N | 42.1 | Very low | 47.1 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -175.2 | 135.1 | 155.4 | -125.2 | 18.4 | 0 | 0 | 0 | 109.3 | A406 | A406-N408 PolarHBondContact O-N 2.8Š|
| 409 | G | 44.7 | Very low | 46.8 | Very low | 62 Ų | 62 | 153.3 Ų | 153.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | cis | -175 | 138.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 410 | E | 46.7 | Very low | 46 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 34 | 94.2 | 152.4 | -165.7 | 169.8 | -169.1 | 0 | 0 | 119 | | |
| 411 | F | 46 | Very low | 45.9 | Very low | 208 Ų | 208 | 151.8 Ų | 151.8 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | | | trans | -146.4 | 117.2 | 134.4 | -96.3 | -68.9 | 0 | 0 | 0 | 111 | | |
| 412 | S | 46.5 | Very low | 45.8 | Very low | 88 Ų | 88 | 152 Ų | 152 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | | | trans | -71.7 | 163.4 | 167.9 | 35.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 413 | D | 39.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 151 Ų | 151 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | cis | -163.5 | -178.3 | -6 | -119.4 | -48 | 0 | 0 | 0 | 110.2 | | |
| 414 | S | 52.5 | Low | 45.1 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | 68.4 | 69.8 | 151.4 | -60.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 415 | W | 48.9 | Very low | 45 | Very low | 254 Ų | 254 | 151 Ų | 151 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | | | trans | -141.7 | 39.1 | 139.1 | 95 | -76.4 | 0 | 0 | 0 | 113.9 | | |
| 416 | I | 48.3 | Very low | 44.9 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -146.1 | 126.8 | 176.3 | -115 | 166.9 | 0 | 0 | 0 | 104.6 | | |
| 417 | V | 46.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 149 Ų | 149 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | cis | -141.6 | 150.8 | 10 | -166.3 | 0 | 0 | 0 | 0 | 109.7 | I419 | V417-I419 PolarHBondContact O-N 2.94Š|
| 418 | P | 45.2 | Very low | 45.1 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -82.1 | 101.4 | 153.7 | -18.6 | 34.6 | 0 | 0 | 0 | 112.2 | | |
| 419 | I | 48.6 | Very low | 45.4 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -42.4 | 142.9 | 166.7 | 40.9 | 171.3 | 0 | 0 | 0 | 116.6 | V417 | V417-I419 PolarHBondContact O-N 2.94Š|
| 420 | D | 40.2 | Very low | 46 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | trans | 45.4 | 110.1 | 142.7 | -60.7 | -64.1 | 0 | 0 | 0 | 121.9 | | |
| 421 | N | 39.2 | Very low | 46.6 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | | -158.7 | 113 | 122.7 | -96.4 | -38 | 0 | 0 | 0 | 107.6 | | |
| 422 | L | 45.8 | Very low | 47.3 | Very low | 140 Ų | 140 | 145 Ų | 145 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | | 73.9 | 29 | 51.1 | -134 | 177.8 | 0 | 0 | 0 | 114.3 | | |
| 423 | M | 42 | Very low | 48 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | | | trans | -126 | 128.1 | 155.1 | -64.1 | 168.4 | 63.9 | 0 | 0 | 106.6 | | |
| 424 | K | 42 | Very low | 48.8 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | cis | 84.2 | 34.7 | 2.8 | -124.9 | -161.9 | -177.2 | -152.5 | 0 | 119.3 | | |
| 425 | E | 44.7 | Very low | 48.5 | Very low | 174 Ų | 174 | 153.8 Ų | 153.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -147.6 | 116.6 | 136.6 | -97.4 | 169.2 | 161.4 | 0 | 0 | 102.7 | | |
| 426 | D | 41.3 | Very low | 48.4 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | | 63.4 | 114.7 | 53.4 | -146.6 | 28.5 | 0 | 0 | 0 | 111.7 | | |
| 427 | A | 49 | Very low | 48.5 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | -91 | 150.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 428 | P | 48 | Very low | 48.6 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | | | | -147.7 | 178.6 | 76.2 | 43.3 | -27.5 | 0 | 0 | 0 | 115 | | |
| 429 | D | 47.2 | Very low | 48.8 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 63.9 | 158.5 | 152.4 | -59.9 | -23.2 | 0 | 0 | 0 | 117.8 | | |
| 430 | E | 58.6 | Low | 48.8 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | cis | -150.6 | 166.8 | -7.2 | -127.7 | 168.9 | 172.2 | 0 | 0 | 110.2 | | |
| 431 | E | 57.7 | Low | 49.4 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | | | trans | 40.2 | 105.3 | 159.5 | -56.1 | -163.5 | 130.5 | 0 | 0 | 121.4 | T433 | E431-T433 HydrophobicContact CB-CG2 3.96Å; E431-T433 PolarHBondContact O-N 3.01Å |
| 432 | D | 60.9 | Low | 50.1 | Low | 146 Ų | 146 | 153.8 Ų | 153.8 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | | | trans | -70.1 | 88.1 | 153 | 178.1 | 19.3 | 0 | 0 | 0 | 110.3 | H434 | D432-H434 PolarHBondContact O-N 3.26Š|
| 433 | T | 62.7 | Low | 50.4 | Low | 113 Ų | 113 | 154.8 Ų | 154.8 | 69% | 0.693 | 81% | 0.807 | S | S | * | * | | | trans | -78.5 | 89.3 | 177.8 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | E431 | E431-T433 HydrophobicContact CB-CG2 3.96Å; E431-T433 PolarHBondContact O-N 3.01Å |
| 434 | H | 54.9 | Low | 51.1 | Low | 168 Ų | 168 | 153.8 Ų | 153.8 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | | | trans | -28.7 | 132 | 171.4 | -69.8 | -82.4 | 0 | 0 | 0 | 116.3 | D432 | D432-H434 PolarHBondContact O-N 3.26Š|
| 435 | L | 46.4 | Very low | 51.9 | Low | 249 Ų | 249 | 150.2 Ų | 150.2 | 100% | 1.304 | 80% | 0.802 | S | S | * | * | | | trans | -163.2 | 0 | 138.6 | -111.5 | 160.9 | 0 | 0 | 0 | 113.4 | | |