| 1 | M | 43.8 | Very low | 62.7 | Low | 233 Ų | 233 | 129.6 Ų | 129.6 | 100% | 1.148 | 66% | 0.656 | S | S | * | * | | | | 0 | 54.5 | 0 | -69.1 | -56.6 | -169.2 | 0 | 0 | 110.5 | | |
| 2 | T | 52.2 | Low | 63.6 | Low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | | | trans | -149.5 | -0.9 | -156.1 | 32.8 | 0 | 0 | 0 | 0 | 115.9 | S6 | T2-S6 PolarHBondContact O-OG 3.32Š|
| 3 | T | 61.1 | Low | 63.9 | Low | 132 Ų | 132 | 131.6 Ų | 131.6 | 81% | 0.81 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -31.2 | -172.7 | 39.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 4 | D | 61.9 | Low | 64.4 | Low | 94 Ų | 94 | 131.5 Ų | 131.5 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91 | -42.1 | -171.3 | -156.9 | 26.1 | 0 | 0 | 0 | 113.1 | S6 R7 F8 | D4-S6 VanDerWaalsContact C-N 3.28Å; D4-S6 PolarHBondContact O-N 3.33Å; D4-R7 WeakPolarHBondContact O-CA 3.5Å; D4-R7 VanDerWaalsContact O-CB 3.23Å; D4-R7 WeakPolarHBondContact O-CB 3.47Å; D4-R7 PolarHBondContact O-N 3.24Å; D4-F8 WeakPolarHBondContact O-CD2 3.47Å; D4-F8 PolarHBondContact O-N 2.96Å |
| 5 | A | 67.2 | Low | 64.4 | Low | 74 Ų | 74 | 128.1 Ų | 128.1 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.1 | -38.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R7 F8 Y9 | A5-R7 VanDerWaalsContact C-N 3.29Å; A5-R7 PolarHBondContact O-N 2.96Å; A5-F8 PolarHBondContact O-N 3.09Å; A5-Y9 PolarHBondContact O-N 3.17Å |
| 6 | S | 64.9 | Low | 64.2 | Low | 80 Ų | 80 | 131.8 Ų | 131.8 | 56% | 0.559 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.4 | -33 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | T2 D4 Y9 Y10 | T2-S6 PolarHBondContact O-OG 3.32Å; D4-S6 VanDerWaalsContact C-N 3.28Å; D4-S6 PolarHBondContact O-N 3.33Å; S6-Y9 PolarHBondContact O-N 2.84Å; S6-Y10 PolarHBondContact O-N 2.91Å; S6-Y10 VanDerWaalsContact O-N 3.13Å |
| 7 | R | 59.4 | Low | 63.5 | Low | 187 Ų | 187 | 137.9 Ų | 137.9 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.4 | -42 | 178 | -153.3 | 176.3 | -167.1 | -179.9 | 2.9 | 110.9 | D4 A5 L11 | D4-R7 WeakPolarHBondContact O-CA 3.5Å; D4-R7 VanDerWaalsContact O-CB 3.23Å; D4-R7 WeakPolarHBondContact O-CB 3.47Å; D4-R7 PolarHBondContact O-N 3.24Å; A5-R7 VanDerWaalsContact C-N 3.29Å; A5-R7 PolarHBondContact O-N 2.96Å; R7-L11 WeakPolarHBondContact O-CG 3.37Å; R7-L11 PolarHBondContact O-N 3.3Å |
| 8 | F | 64.6 | Low | 62.7 | Low | 112 Ų | 112 | 143.3 Ų | 143.3 | 49% | 0.491 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -69.7 | -34.2 | 173.2 | -70.2 | -73.4 | 0 | 0 | 0 | 113.4 | D4 A5 R12 | D4-F8 WeakPolarHBondContact O-CD2 3.47Å; D4-F8 PolarHBondContact O-N 2.96Å; A5-F8 PolarHBondContact O-N 3.09Å; F8-R12 WeakPolarHBondContact O-CB 3.27Å; F8-R12 PolarHBondContact O-N 3.49Å |
| 9 | Y | 71.7 | Confident | 61.8 | Low | 154 Ų | 154 | 142.5 Ų | 142.5 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -63.9 | -46.2 | 176.8 | -172.2 | -95.2 | 0 | 0 | 0 | 112 | A5 S6 R12 L13 | A5-Y9 PolarHBondContact O-N 3.17Å; S6-Y9 PolarHBondContact O-N 2.84Å; Y9-R12 PolarHBondContact O-N 3.1Å; Y9-L13 HydrophobicContact CD1-CD1 4.29Å; Y9-L13 HydrophobicContact CE1-CD1 3.71Å; Y9-L13 HydrophobicContact CE1-CD2 4.15Å; Y9-L13 HydrophobicContact CE2-CD1 4.31Å; Y9-L13 PolarHBondContact O-N 3.41Å |
| 10 | Y | 70.7 | Confident | 61.1 | Low | 153 Ų | 153 | 139.4 Ų | 139.4 | 60% | 0.6 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63.5 | -45.6 | 177.9 | -165.6 | -96.1 | 0 | 0 | 0 | 111.7 | S6 R12 L13 M14 | S6-Y10 PolarHBondContact O-N 2.91Å; S6-Y10 VanDerWaalsContact O-N 3.13Å; Y10-R12 VanDerWaalsContact C-N 3.29Å; Y10-R12 PolarHBondContact O-N 3Å; Y10-L13 PolarHBondContact O-N 3.39Å; Y10-M14 HydrophobicContact CD1-CG 3.86Å; Y10-M14 HydrophobicContact CE1-CE 4.32Å; Y10-M14 HydrophobicContact CE1-CG 3.61Å; Y10-M14 HydrophobicContact CE1-SD 4.17Å; Y10-M14 VanDerWaalsContact O-CG 3.3Å; Y10-M14 WeakPolarHBondContact O-CG 3.42Å; Y10-M14 PolarHBondContact O-N 3.3Å |
| 11 | L | 72.4 | Confident | 60.6 | Low | 96 Ų | 96 | 138.4 Ų | 138.4 | 50% | 0.503 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -58.5 | -39 | 173.9 | -74.8 | 171.3 | 0 | 0 | 0 | 112.5 | R7 M14 S15 | R7-L11 WeakPolarHBondContact O-CG 3.37Å; R7-L11 PolarHBondContact O-N 3.3Å; L11-M14 PolarHBondContact O-N 3.23Å; L11-S15 VanDerWaalsContact O-CB 3.3Å; L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 2.85Å |
| 12 | R | 73.5 | Confident | 60.9 | Low | 189 Ų | 189 | 134.5 Ų | 134.5 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.8 | -41.7 | 176.4 | -174.9 | 169.8 | -70.7 | 168 | 0.2 | 112.1 | F8 Y9 Y10 S15 | F8-R12 WeakPolarHBondContact O-CB 3.27Å; F8-R12 PolarHBondContact O-N 3.49Å; Y9-R12 PolarHBondContact O-N 3.1Å; Y10-R12 VanDerWaalsContact C-N 3.29Å; Y10-R12 PolarHBondContact O-N 3Å; R12-S15 PolarHBondContact O-N 2.78Å; R12-S15 PolarHBondContact O-OG 2.88Å |
| 13 | L | 67 | Low | 60.8 | Low | 96 Ų | 96 | 132.9 Ų | 132.9 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -61.4 | -49.1 | 173.4 | -110.2 | 66.8 | 0 | 0 | 0 | 111.7 | Y9 Y10 S15 K16 | Y9-L13 HydrophobicContact CD1-CD1 4.29Å; Y9-L13 HydrophobicContact CE1-CD1 3.71Å; Y9-L13 HydrophobicContact CE1-CD2 4.15Å; Y9-L13 HydrophobicContact CE2-CD1 4.31Å; Y9-L13 PolarHBondContact O-N 3.41Å; Y10-L13 PolarHBondContact O-N 3.39Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.23Å; L13-K16 VanDerWaalsContact O-CB 3.31Å; L13-K16 WeakPolarHBondContact O-CB 3.33Å; L13-K16 PolarHBondContact O-N 3.46Å |
| 14 | M | 71.1 | Confident | 60.2 | Low | 130 Ų | 130 | 130 Ų | 130 | 64% | 0.64 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.6 | -22.7 | -178.4 | -62.8 | -64.6 | -86.1 | 0 | 0 | 113.2 | Y10 L11 K16 | Y10-M14 HydrophobicContact CD1-CG 3.86Å; Y10-M14 HydrophobicContact CE1-CE 4.32Å; Y10-M14 HydrophobicContact CE1-CG 3.61Å; Y10-M14 HydrophobicContact CE1-SD 4.17Å; Y10-M14 VanDerWaalsContact O-CG 3.3Å; Y10-M14 WeakPolarHBondContact O-CG 3.42Å; Y10-M14 PolarHBondContact O-N 3.3Å; L11-M14 PolarHBondContact O-N 3.23Å; M14-K16 PolarHBondContact O-N 3.13Å |
| 15 | S | 64.6 | Low | 59.6 | Low | 81 Ų | 81 | 130.5 Ų | 130.5 | 57% | 0.566 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -4 | 177.2 | 73.9 | 0 | 0 | 0 | 0 | 115.2 | L11 R12 L13 R17 | L11-S15 VanDerWaalsContact O-CB 3.3Å; L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 2.85Å; R12-S15 PolarHBondContact O-N 2.78Å; R12-S15 PolarHBondContact O-OG 2.88Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.23Å; S15-R17 VanDerWaalsContact C-N 3.29Å; S15-R17 PolarHBondContact O-N 2.91Å |
| 16 | K | 60.8 | Low | 58.9 | Low | 187 Ų | 187 | 133.5 Ų | 133.5 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | | | trans | -76.6 | 69.7 | -171.4 | -159.4 | 170.9 | -173.4 | 178.7 | 0 | 112.9 | L13 M14 | L13-K16 VanDerWaalsContact O-CB 3.31Å; L13-K16 WeakPolarHBondContact O-CB 3.33Å; L13-K16 PolarHBondContact O-N 3.46Å; M14-K16 PolarHBondContact O-N 3.13Å |
| 17 | R | 52.8 | Low | 58.6 | Low | 236 Ų | 236 | 138.5 Ų | 138.5 | 89% | 0.891 | 70% | 0.703 | S | S | * | * | | | trans | -57.9 | 150.7 | 170.1 | -82.1 | -170.2 | 171.8 | -162.8 | -2 | 111.2 | S15 S19 | S15-R17 VanDerWaalsContact C-N 3.29Å; S15-R17 PolarHBondContact O-N 2.91Å; R17-S19 PolarHBondContact O-N 2.94Å |
| 18 | R | 48.2 | Very low | 58.4 | Low | 234 Ų | 234 | 136.8 Ų | 136.8 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | | | trans | -53.1 | 129 | -174.1 | -63.8 | 179.6 | 177.7 | -170.3 | -0.7 | 112.5 | S20 | R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 3.43Å |
| 19 | S | 46.3 | Very low | 57.9 | Low | 129 Ų | 129 | 136.5 Ų | 136.5 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | | | trans | -83.2 | 69.5 | 160.9 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | R17 | R17-S19 PolarHBondContact O-N 2.94Š|
| 20 | S | 48.6 | Very low | 57.3 | Low | 80 Ų | 80 | 138.5 Ų | 138.5 | 56% | 0.559 | 73% | 0.731 | S | S | * | * | | | trans | -83.7 | 122.3 | 162.6 | 46.2 | 0 | 0 | 0 | 0 | 108.3 | R18 D22 | R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 3.43Å; S20-D22 PolarHBondContact O-N 2.7Å |
| 21 | A | 50.8 | Low | 56.6 | Low | 118 Ų | 118 | 136.2 Ų | 136.2 | 98% | 0.975 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -76.1 | 24.8 | -166 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 22 | D | 49.4 | Very low | 55.7 | Low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | -143.5 | 90.1 | 178.9 | -172.8 | 17.7 | 0 | 0 | 0 | 110 | S20 | S20-D22 PolarHBondContact O-N 2.7Š|
| 23 | A | 49.9 | Very low | 54.5 | Low | 77 Ų | 77 | 140.1 Ų | 140.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -161.9 | 101 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S25 | A23-S25 PolarHBondContact O-N 2.91Š|
| 24 | G | 49.4 | Very low | 54 | Low | 71 Ų | 71 | 139.4 Ų | 139.4 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | trans | -63.3 | 116.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I26 | G24-I26 VanDerWaalsContact C-N 3.31Å; G24-I26 PolarHBondContact O-N 3.49Å |
| 25 | S | 47.9 | Very low | 52.6 | Low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | 33.5 | 46.2 | 158 | -152.4 | 0 | 0 | 0 | 0 | 118.1 | A23 K27 | A23-S25 PolarHBondContact O-N 2.91Å; S25-K27 VanDerWaalsContact C-N 3.35Å; S25-K27 PolarHBondContact O-N 2.91Å |
| 26 | I | 54.1 | Low | 51.5 | Low | 136 Ų | 136 | 148.9 Ų | 148.9 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | | | trans | -71 | 97 | 166.2 | -55.9 | -178.4 | 0 | 0 | 0 | 107.4 | G24 L28 | G24-I26 VanDerWaalsContact C-N 3.31Å; G24-I26 PolarHBondContact O-N 3.49Å; I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 HydrophobicContact CG2-CD1 4.06Å; I26-L28 WeakPolarHBondContact O-CD1 3.45Å; I26-L28 PolarHBondContact O-N 3.38Å |
| 27 | K | 56.9 | Low | 50.7 | Low | 185 Ų | 185 | 142.3 Ų | 142.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -64.8 | 90.1 | 170 | -68.4 | 179.9 | -178.6 | 175.2 | 0 | 108.7 | S25 S29 | S25-K27 VanDerWaalsContact C-N 3.35Å; S25-K27 PolarHBondContact O-N 2.91Å; K27-S29 PolarHBondContact O-N 2.89Å |
| 28 | L | 56 | Low | 50.7 | Low | 151 Ų | 151 | 138.6 Ų | 138.6 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -57.9 | 105.3 | 167 | -88.6 | 77.5 | 0 | 0 | 0 | 107.7 | I26 K30 | I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 HydrophobicContact CG2-CD1 4.06Å; I26-L28 WeakPolarHBondContact O-CD1 3.45Å; I26-L28 PolarHBondContact O-N 3.38Å; L28-K30 PolarHBondContact O-N 3.36Å |
| 29 | S | 53.6 | Low | 50.7 | Low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 133.1 | 163.1 | 59.9 | 0 | 0 | 0 | 0 | 108 | K27 P31 | K27-S29 PolarHBondContact O-N 2.89Å; S29-P31 VanDerWaalsContact O-N 3.15Å |
| 30 | K | 58.8 | Low | 50.9 | Low | 196 Ų | 196 | 130.2 Ų | 130.2 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 126.6 | 178.5 | -68.4 | 177.1 | 178.9 | 177.5 | 0 | 107.4 | L28 K32 | L28-K30 PolarHBondContact O-N 3.36Å; K30-K32 PolarHBondContact O-N 2.95Å |
| 31 | P | 57.1 | Low | 51 | Low | 105 Ų | 105 | 133.5 Ų | 133.5 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 117.4 | -179.1 | 22.9 | -32.5 | 0 | 0 | 0 | 107.7 | S29 F33 | S29-P31 VanDerWaalsContact O-N 3.15Å; P31-F33 PolarHBondContact O-N 3.3Å |
| 32 | K | 53.4 | Low | 50.8 | Low | 211 Ų | 211 | 135.1 Ų | 135.1 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | | | trans | -65.9 | 86.1 | 164.2 | -90.9 | -171.6 | 171.9 | -177.1 | 0 | 106.1 | K30 A34 | K30-K32 PolarHBondContact O-N 2.95Å; K32-A34 PolarHBondContact O-N 3.3Å |
| 33 | F | 49.1 | Very low | 50.5 | Low | 157 Ų | 157 | 137.7 Ų | 137.7 | 69% | 0.689 | 72% | 0.721 | S | S | * | * | | | trans | -53.7 | 111.3 | 160.2 | -107.3 | -94.5 | 0 | 0 | 0 | 106 | P31 Q35 | P31-F33 PolarHBondContact O-N 3.3Å; F33-Q35 PolarHBondContact O-N 2.99Å |
| 34 | A | 54.8 | Low | 50.2 | Low | 80 Ų | 80 | 140 Ų | 140 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | | | trans | -66.9 | 86.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | K32 W36 | K32-A34 PolarHBondContact O-N 3.3Å; A34-W36 VanDerWaalsContact C-N 3.29Å; A34-W36 PolarHBondContact O-N 2.93Å |
| 35 | Q | 42.8 | Very low | 50.2 | Low | 167 Ų | 167 | 140.8 Ų | 140.8 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | | | trans | -64.4 | 97.9 | 170.9 | 178.5 | 175 | -35.7 | 0 | 0 | 106.3 | F33 S37 | F33-Q35 PolarHBondContact O-N 2.99Å; Q35-S37 PolarHBondContact O-N 3.09Å |
| 36 | W | 40.3 | Very low | 50.3 | Low | 243 Ų | 243 | 141.7 Ų | 141.7 | 92% | 0.92 | 72% | 0.721 | S | S | * | * | | | trans | -62.7 | 93.2 | 163.1 | -65.3 | -13.2 | 0 | 0 | 0 | 106.5 | A34 K38 | A34-W36 VanDerWaalsContact C-N 3.29Å; A34-W36 PolarHBondContact O-N 2.93Å; W36-K38 PolarHBondContact O-N 3.06Å |
| 37 | S | 44.2 | Very low | 50.4 | Low | 50 Ų | 50 | 140.9 Ų | 140.9 | 35% | 0.35 | 72% | 0.717 | S | S | . | * | | | trans | -56 | 130.2 | 172.4 | 21.6 | 0 | 0 | 0 | 0 | 108.2 | Q35 D39 A40 | Q35-S37 PolarHBondContact O-N 3.09Å; S37-D39 WeakPolarHBondContact CB-OD2 3.23Å; S37-D39 PolarHBondContact O-N 2.99Å; S37-A40 VanDerWaalsContact O-CB 3.24Å; S37-A40 WeakPolarHBondContact O-CB 3.48Å; S37-A40 PolarHBondContact O-N 2.96Å |
| 38 | K | 53 | Low | 50.4 | Low | 158 Ų | 158 | 138.6 Ų | 138.6 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -57.9 | -32.4 | 176.9 | -170.2 | -174.1 | 171.8 | -156.7 | 0 | 110.7 | W36 A40 L41 | W36-K38 PolarHBondContact O-N 3.06Å; K38-A40 PolarHBondContact O-N 2.88Å; K38-A40 VanDerWaalsContact O-N 3.11Å; K38-L41 VanDerWaalsContact O-CB 3.23Å; K38-L41 WeakPolarHBondContact O-CB 3.47Å; K38-L41 PolarHBondContact O-N 3.3Å |
| 39 | D | 49.5 | Very low | 50.8 | Low | 116 Ų | 116 | 137 Ų | 137 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -56.9 | -17.7 | 173.5 | -14.6 | -48.2 | 0 | 0 | 0 | 113.9 | S37 L41 | S37-D39 WeakPolarHBondContact CB-OD2 3.23Å; S37-D39 PolarHBondContact O-N 2.99Å; D39-L41 PolarHBondContact O-N 3.39Å |
| 40 | A | 48.9 | Very low | 51.7 | Low | 70 Ų | 70 | 136.8 Ų | 136.8 | 58% | 0.579 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -71.9 | -16.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S37 K38 | S37-A40 VanDerWaalsContact O-CB 3.24Å; S37-A40 WeakPolarHBondContact O-CB 3.48Å; S37-A40 PolarHBondContact O-N 2.96Å; K38-A40 PolarHBondContact O-N 2.88Å; K38-A40 VanDerWaalsContact O-N 3.11Å |
| 41 | L | 51.2 | Low | 52.9 | Low | 150 Ų | 150 | 132.1 Ų | 132.1 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -91.8 | -13.8 | 177.6 | -166 | 63.3 | 0 | 0 | 0 | 112.9 | K38 D39 | K38-L41 VanDerWaalsContact O-CB 3.23Å; K38-L41 WeakPolarHBondContact O-CB 3.47Å; K38-L41 PolarHBondContact O-N 3.3Å; D39-L41 PolarHBondContact O-N 3.39Å |
| 42 | E | 46 | Very low | 54.3 | Low | 152 Ų | 152 | 132.7 Ų | 132.7 | 71% | 0.71 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -101.3 | -0.1 | 179.5 | -71.1 | -179.6 | -165.3 | 0 | 0 | 113.3 | T44 | E42-T44 PolarHBondContact O-N 3.41Š|
| 43 | R | 44.3 | Very low | 55.9 | Low | 206 Ų | 206 | 127.8 Ų | 127.8 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | | | trans | -75.6 | 102.8 | 151.1 | -68.5 | -171.9 | -165.5 | 158.9 | 6 | 108 | P45 | R43-P45 WeakPolarHBondContact O-CD 3.48Š|
| 44 | T | 42.6 | Very low | 57.8 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | | | trans | -55.2 | 115.3 | 149.4 | 48.1 | 0 | 0 | 0 | 0 | 107.5 | E42 V46 | E42-T44 PolarHBondContact O-N 3.41Å; T44-V46 PolarHBondContact O-N 3.37Å |
| 45 | P | 50.2 | Low | 59.4 | Low | 89 Ų | 89 | 123.7 Ų | 123.7 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | | | trans | -58.1 | 137.4 | 153.3 | 28.5 | -31.9 | 0 | 0 | 0 | 106.3 | R43 L47 | R43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-L47 HydrophobicContact CB-CD2 4.32Å; P45-L47 HydrophobicContact CG-CD2 3.75Å; P45-L47 HydrophobicContact CG-CG 4.17Å; P45-L47 PolarHBondContact O-N 3.48Å; P45-L47 VanDerWaalsContact O-N 3.08Å |
| 46 | V | 50.2 | Low | 61.7 | Low | 124 Ų | 124 | 119.5 Ų | 119.5 | 75% | 0.752 | 61% | 0.614 | S | S | * | * | | | trans | -63.5 | 112.9 | 154.8 | 174.5 | 0 | 0 | 0 | 0 | 103.8 | T44 D48 | T44-V46 PolarHBondContact O-N 3.37Å; V46-D48 PolarHBondContact O-N 2.89Å |
| 47 | L | 56.1 | Low | 64.1 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | | | trans | -76.8 | 74.4 | 178.9 | -69.1 | 169.4 | 0 | 0 | 0 | 108.1 | P45 E49 | P45-L47 HydrophobicContact CB-CD2 4.32Å; P45-L47 HydrophobicContact CG-CD2 3.75Å; P45-L47 HydrophobicContact CG-CG 4.17Å; P45-L47 PolarHBondContact O-N 3.48Å; P45-L47 VanDerWaalsContact O-N 3.08Å; L47-E49 HydrophobicContact CB-CG 4.21Å; L47-E49 PolarHBondContact O-N 3.22Å |
| 48 | D | 56.7 | Low | 66.4 | Low | 136 Ų | 136 | 110.8 Ų | 110.8 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | | | trans | -60.7 | 86 | 141.2 | -66 | -44.8 | 0 | 0 | 0 | 105.4 | V46 D50 | V46-D48 PolarHBondContact O-N 2.89Å; D48-D50 VanDerWaalsContact C-N 3.28Å; D48-D50 PolarHBondContact O-N 2.94Å |
| 49 | E | 63.6 | Low | 68.3 | Low | 118 Ų | 118 | 107.4 Ų | 107.4 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | | | trans | -62.4 | 92.1 | 174.4 | -72 | -70.9 | 152 | 0 | 0 | 107.5 | L47 P51 | L47-E49 HydrophobicContact CB-CG 4.21Å; L47-E49 PolarHBondContact O-N 3.22Å; E49-P51 WeakPolarHBondContact O-CD 3.36Å |
| 50 | D | 73.9 | Confident | 70.4 | Confident | 101 Ų | 101 | 106 Ų | 106 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | | | trans | -51.3 | 107 | 173.8 | -88.5 | -41.7 | 0 | 0 | 0 | 108.2 | D48 E52 L53 E54 | D48-D50 VanDerWaalsContact C-N 3.28Å; D48-D50 PolarHBondContact O-N 2.94Å; D50-E52 PolarHBondContact O-N 3.33Å; D50-E52 VanDerWaalsContact O-N 3.08Å; D50-L53 HydrophobicContact CB-CB 3.93Å; D50-L53 HydrophobicContact CB-CD1 4.03Å; D50-L53 HydrophobicContact CB-CG 4.31Å; D50-L53 WeakPolarHBondContact O-CA 3.35Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 3.45Å; D50-E54 PolarHBondContact O-N 2.94Å |
| 51 | P | 82.6 | Confident | 72.6 | Confident | 98 Ų | 98 | 107.5 Ų | 107.5 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.3 | -19.5 | -170.5 | 27.4 | -34.8 | 0 | 0 | 0 | 111.2 | E49 S55 | E49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-S55 VanDerWaalsContact O-CB 3.22Å; P51-S55 WeakPolarHBondContact O-CB 3.34Å; P51-S55 PolarHBondContact O-N 3.48Å; P51-S55 PolarHBondContact O-OG 2.94Å |
| 52 | E | 86.8 | Confident | 74.7 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.8 | -40.9 | 169.6 | -171.1 | 157.5 | -156.1 | 0 | 0 | 111.9 | D50 S55 Q56 | D50-E52 PolarHBondContact O-N 3.33Å; D50-E52 VanDerWaalsContact O-N 3.08Å; E52-S55 PolarHBondContact O-N 3Å; E52-S55 PolarHBondContact O-OG 2.89Å; E52-Q56 VanDerWaalsContact O-CB 3.28Å; E52-Q56 WeakPolarHBondContact O-CB 3.31Å; E52-Q56 PolarHBondContact O-N 3.29Å |
| 53 | L | 87 | Confident | 77 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 173.6 | -92.7 | 169.3 | 0 | 0 | 0 | 111.9 | D50 Q56 A57 | D50-L53 HydrophobicContact CB-CB 3.93Å; D50-L53 HydrophobicContact CB-CD1 4.03Å; D50-L53 HydrophobicContact CB-CG 4.31Å; D50-L53 WeakPolarHBondContact O-CA 3.35Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 3.45Å; L53-Q56 PolarHBondContact O-N 3.41Å; L53-A57 WeakPolarHBondContact O-CB 3.41Å; L53-A57 PolarHBondContact O-N 3.48Å |
| 54 | E | 88.5 | Confident | 79.3 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 173.4 | -162.9 | -158 | 169.8 | 0 | 0 | 110.1 | D50 Q56 A57 I58 | D50-E54 PolarHBondContact O-N 2.94Å; E54-Q56 PolarHBondContact O-N 3.23Å; E54-A57 PolarHBondContact O-N 3.02Å; E54-I58 HydrophobicContact CG-CD1 3.88Å; E54-I58 HydrophobicContact CG-CG1 4.49Å; E54-I58 VanDerWaalsContact O-CG1 3.28Å; E54-I58 WeakPolarHBondContact O-CG1 3.47Å; E54-I58 PolarHBondContact O-N 3.49Å |
| 55 | S | 88.8 | Confident | 81.8 | Confident | 45 Ų | 45 | 94.9 Ų | 94.9 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -27.9 | 177.6 | 80.7 | 0 | 0 | 0 | 0 | 113.3 | P51 E52 R59 | P51-S55 VanDerWaalsContact O-CB 3.22Å; P51-S55 WeakPolarHBondContact O-CB 3.34Å; P51-S55 PolarHBondContact O-N 3.48Å; P51-S55 PolarHBondContact O-OG 2.94Å; E52-S55 PolarHBondContact O-N 3Å; E52-S55 PolarHBondContact O-OG 2.89Å; S55-R59 WeakPolarHBondContact O-CB 3.31Å; S55-R59 VanDerWaalsContact O-CG 3.31Å; S55-R59 WeakPolarHBondContact O-CG 3.33Å; S55-R59 PolarHBondContact O-N 2.99Å; S55-R59 PolarHBondContact O-NE 3.26Å; S55-R59 PolarHBondContact OG-NH2 3.43Å |
| 56 | Q | 91.2 | Very high | 83.8 | Confident | 79 Ų | 79 | 96.2 Ų | 96.2 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.2 | -44.3 | 175.4 | -175 | 174 | 4.8 | 0 | 0 | 110.7 | E52 L53 E54 I58 R59 I60 | E52-Q56 VanDerWaalsContact O-CB 3.28Å; E52-Q56 WeakPolarHBondContact O-CB 3.31Å; E52-Q56 PolarHBondContact O-N 3.29Å; L53-Q56 PolarHBondContact O-N 3.41Å; E54-Q56 PolarHBondContact O-N 3.23Å; Q56-I58 PolarHBondContact O-N 3.43Å; Q56-R59 WeakPolarHBondContact O-CB 3.45Å; Q56-R59 PolarHBondContact O-N 3.07Å; Q56-I60 HydrophobicContact CG-CD1 3.94Å; Q56-I60 WeakPolarHBondContact O-CB 3.42Å; Q56-I60 VanDerWaalsContact O-CG1 3.26Å; Q56-I60 WeakPolarHBondContact O-CG1 3.48Å; Q56-I60 PolarHBondContact O-N 3.43Å |
| 57 | A | 91.4 | Very high | 85.9 | Confident | 52 Ų | 52 | 92.9 Ų | 92.9 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L53 E54 I60 V61 | L53-A57 WeakPolarHBondContact O-CB 3.41Å; L53-A57 PolarHBondContact O-N 3.48Å; E54-A57 PolarHBondContact O-N 3.02Å; A57-I60 PolarHBondContact O-N 2.88Å; A57-V61 WeakPolarHBondContact O-CG2 3.29Å; A57-V61 PolarHBondContact O-N 2.8Å |
| 58 | I | 91.8 | Very high | 87.8 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 30% | 0.303 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 177.1 | -61.4 | 165.8 | 0 | 0 | 0 | 111.3 | E54 Q56 V61 R62 | E54-I58 HydrophobicContact CG-CD1 3.88Å; E54-I58 HydrophobicContact CG-CG1 4.49Å; E54-I58 VanDerWaalsContact O-CG1 3.28Å; E54-I58 WeakPolarHBondContact O-CG1 3.47Å; E54-I58 PolarHBondContact O-N 3.49Å; Q56-I58 PolarHBondContact O-N 3.43Å; I58-V61 PolarHBondContact O-N 3.27Å; I58-R62 WeakPolarHBondContact O-CG 3.36Å; I58-R62 PolarHBondContact O-N 2.99Å |
| 59 | R | 93.7 | Very high | 89.5 | Confident | 87 Ų | 87 | 94.3 Ų | 94.3 | 33% | 0.328 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.3 | -50.8 | 171.5 | -88.4 | 175.7 | -78 | 179.9 | -8 | 111.2 | S55 Q56 V61 R62 T63 N407 | S55-R59 WeakPolarHBondContact O-CB 3.31Å; S55-R59 VanDerWaalsContact O-CG 3.31Å; S55-R59 WeakPolarHBondContact O-CG 3.33Å; S55-R59 PolarHBondContact O-N 2.99Å; S55-R59 PolarHBondContact O-NE 3.26Å; S55-R59 PolarHBondContact OG-NH2 3.43Å; Q56-R59 WeakPolarHBondContact O-CB 3.45Å; Q56-R59 PolarHBondContact O-N 3.07Å; R59-V61 PolarHBondContact O-N 3Å; R59-R62 PolarHBondContact O-N 3.43Å; R59-T63 PolarHBondContact O-N 2.95Å; R59-T63 PolarHBondContact O-OG1 3.3Å; R59-N407 PolarHBondContact NH1-OD1 3.26Å |
| 60 | I | 93 | Very high | 90.9 | Very high | 86 Ų | 86 | 92.8 Ų | 92.8 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 179.1 | -70.9 | 165.5 | 0 | 0 | 0 | 110.8 | Q56 A57 R62 T63 I64 | Q56-I60 HydrophobicContact CG-CD1 3.94Å; Q56-I60 WeakPolarHBondContact O-CB 3.42Å; Q56-I60 VanDerWaalsContact O-CG1 3.26Å; Q56-I60 WeakPolarHBondContact O-CG1 3.48Å; Q56-I60 PolarHBondContact O-N 3.43Å; A57-I60 PolarHBondContact O-N 2.88Å; I60-R62 PolarHBondContact O-N 3.07Å; I60-T63 PolarHBondContact O-N 2.91Å; I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.33Å; I60-I64 WeakPolarHBondContact O-CB 3.49Å; I60-I64 VanDerWaalsContact O-CG1 3.25Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.16Å |
| 61 | V | 95.3 | Very high | 91.7 | Very high | 102 Ų | 102 | 91.9 Ų | 91.9 | 62% | 0.618 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 177.3 | 169.8 | 0 | 0 | 0 | 0 | 112 | A57 I58 R59 G65 | A57-V61 WeakPolarHBondContact O-CG2 3.29Å; A57-V61 PolarHBondContact O-N 2.8Å; I58-V61 PolarHBondContact O-N 3.27Å; R59-V61 PolarHBondContact O-N 3Å; V61-G65 PolarHBondContact O-N 3.18Å |
| 62 | R | 94.2 | Very high | 92.2 | Very high | 163 Ų | 163 | 93.5 Ų | 93.5 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 175.2 | -73.5 | 176.4 | -175.9 | 135.6 | 3.1 | 112.2 | I58 R59 I60 I64 G65 Q66 | I58-R62 WeakPolarHBondContact O-CG 3.36Å; I58-R62 PolarHBondContact O-N 2.99Å; R59-R62 PolarHBondContact O-N 3.43Å; I60-R62 PolarHBondContact O-N 3.07Å; R62-I64 VanDerWaalsContact C-N 3.34Å; R62-I64 PolarHBondContact O-N 3.35Å; R62-G65 PolarHBondContact O-N 3.45Å; R62-Q66 WeakPolarHBondContact O-CG 3.44Å; R62-Q66 PolarHBondContact O-N 3.11Å |
| 63 | T | 95.2 | Very high | 92.5 | Very high | 90 Ų | 90 | 93.6 Ų | 93.6 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -37.7 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 112 | R59 I60 A67 | R59-T63 PolarHBondContact O-N 2.95Å; R59-T63 PolarHBondContact O-OG1 3.3Å; I60-T63 PolarHBondContact O-N 2.91Å; T63-A67 WeakPolarHBondContact O-CB 3.5Å; T63-A67 PolarHBondContact O-N 3.37Å |
| 64 | I | 92.2 | Very high | 92.6 | Very high | 87 Ų | 87 | 92 Ų | 92 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 172.7 | -71.8 | 172.5 | 0 | 0 | 0 | 110.8 | I60 R62 A67 F68 | I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.33Å; I60-I64 WeakPolarHBondContact O-CB 3.49Å; I60-I64 VanDerWaalsContact O-CG1 3.25Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.16Å; R62-I64 VanDerWaalsContact C-N 3.34Å; R62-I64 PolarHBondContact O-N 3.35Å; I64-A67 PolarHBondContact O-N 3.27Å; I64-F68 HydrophobicContact CG2-CD2 3.66Å; I64-F68 HydrophobicContact CG2-CE2 3.56Å; I64-F68 VanDerWaalsContact O-CD2 3.28Å; I64-F68 WeakPolarHBondContact O-CD2 3.36Å; I64-F68 PolarHBondContact O-N 3.46Å |
| 65 | G | 95.1 | Very high | 92.5 | Very high | 26 Ų | 26 | 91.7 Ų | 91.7 | 27% | 0.268 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V61 R62 A67 F68 E69 | V61-G65 PolarHBondContact O-N 3.18Å; R62-G65 PolarHBondContact O-N 3.45Å; G65-A67 VanDerWaalsContact C-N 3.31Å; G65-A67 PolarHBondContact O-N 3.19Å; G65-F68 PolarHBondContact O-N 2.88Å; G65-F68 VanDerWaalsContact O-N 3.11Å; G65-E69 WeakPolarHBondContact O-CG 3.29Å; G65-E69 PolarHBondContact O-N 3.4Å |
| 66 | Q | 93.3 | Very high | 92.2 | Very high | 118 Ų | 118 | 91.9 Ų | 91.9 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.7 | -38.1 | 176 | -71.4 | 173.8 | -37.4 | 0 | 0 | 112.5 | R62 E69 V70 | R62-Q66 WeakPolarHBondContact O-CG 3.44Å; R62-Q66 PolarHBondContact O-N 3.11Å; Q66-E69 PolarHBondContact O-N 2.98Å; Q66-V70 WeakPolarHBondContact O-CG2 3.23Å; Q66-V70 PolarHBondContact O-N 3.08Å |
| 67 | A | 93.7 | Very high | 91.8 | Very high | 54 Ų | 54 | 91.7 Ų | 91.7 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | T63 I64 G65 V70 C71 | T63-A67 WeakPolarHBondContact O-CB 3.5Å; T63-A67 PolarHBondContact O-N 3.37Å; I64-A67 PolarHBondContact O-N 3.27Å; G65-A67 VanDerWaalsContact C-N 3.31Å; G65-A67 PolarHBondContact O-N 3.19Å; A67-V70 PolarHBondContact O-N 3.44Å; A67-C71 WeakPolarHBondContact O-CB 3.44Å; A67-C71 PolarHBondContact O-N 3.32Å; A67-C71 PolarHBondContact O-SG 3.2Å; A67-C71 VanDerWaalsContact O-SG 3.35Å |
| 68 | F | 95.1 | Very high | 90.9 | Very high | 147 Ų | 147 | 95.2 Ų | 95.2 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.5 | -38 | 173.4 | -84.6 | -66.1 | 0 | 0 | 0 | 112.8 | I64 G65 C71 H72 | I64-F68 HydrophobicContact CG2-CD2 3.66Å; I64-F68 HydrophobicContact CG2-CE2 3.56Å; I64-F68 VanDerWaalsContact O-CD2 3.28Å; I64-F68 WeakPolarHBondContact O-CD2 3.36Å; I64-F68 PolarHBondContact O-N 3.46Å; G65-F68 PolarHBondContact O-N 2.88Å; G65-F68 VanDerWaalsContact O-N 3.11Å; F68-C71 PolarHBondContact O-N 2.94Å; F68-H72 VanDerWaalsContact O-CB 3.25Å; F68-H72 WeakPolarHBondContact O-CB 3.4Å; F68-H72 PolarHBondContact O-N 3.29Å |
| 69 | E | 93.5 | Very high | 89.7 | Confident | 137 Ų | 137 | 96 Ų | 96 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -45.2 | 174.4 | -73.6 | 167.4 | -167.3 | 0 | 0 | 111.5 | G65 Q66 H72 K73 | G65-E69 WeakPolarHBondContact O-CG 3.29Å; G65-E69 PolarHBondContact O-N 3.4Å; Q66-E69 PolarHBondContact O-N 2.98Å; E69-H72 PolarHBondContact O-N 3.33Å; E69-K73 PolarHBondContact O-N 2.87Å |
| 70 | V | 93.5 | Very high | 88.1 | Confident | 87 Ų | 87 | 96 Ų | 96 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | Q66 A67 H72 K73 I74 | Q66-V70 WeakPolarHBondContact O-CG2 3.23Å; Q66-V70 PolarHBondContact O-N 3.08Å; A67-V70 PolarHBondContact O-N 3.44Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 2.87Å; V70-K73 PolarHBondContact O-N 2.98Å; V70-I74 HydrophobicContact CG1-CD1 3.8Å; V70-I74 WeakPolarHBondContact O-CG1 3.47Å; V70-I74 PolarHBondContact O-N 2.94Å |
| 71 | C | 90.8 | Very high | 86.4 | Confident | 81 Ų | 81 | 99.2 Ų | 99.2 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 176.3 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | A67 F68 N75 | A67-C71 WeakPolarHBondContact O-CB 3.44Å; A67-C71 PolarHBondContact O-N 3.32Å; A67-C71 PolarHBondContact O-SG 3.2Å; A67-C71 VanDerWaalsContact O-SG 3.35Å; F68-C71 PolarHBondContact O-N 2.94Å; C71-N75 WeakPolarHBondContact O-CB 3.34Å; C71-N75 PolarHBondContact O-N 3.45Å |
| 72 | H | 93.1 | Very high | 84.6 | Confident | 132 Ų | 132 | 99 Ų | 99 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 173.9 | -173.2 | -34 | 0 | 0 | 0 | 111 | F68 E69 V70 N75 T76 | F68-H72 VanDerWaalsContact O-CB 3.25Å; F68-H72 WeakPolarHBondContact O-CB 3.4Å; F68-H72 PolarHBondContact O-N 3.29Å; E69-H72 PolarHBondContact O-N 3.33Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 2.87Å; H72-N75 PolarHBondContact O-N 3.47Å; H72-T76 PolarHBondContact O-N 2.99Å; H72-T76 PolarHBondContact O-OG1 3.36Å |
| 73 | K | 91.7 | Very high | 82.7 | Confident | 120 Ų | 120 | 97.8 Ų | 97.8 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | -178.7 | -154.5 | -170.2 | -168.1 | -54.5 | 0 | 112 | E69 V70 N75 T76 E77 | E69-K73 PolarHBondContact O-N 2.87Å; V70-K73 PolarHBondContact O-N 2.98Å; K73-N75 VanDerWaalsContact C-N 3.31Å; K73-N75 PolarHBondContact O-N 3.38Å; K73-T76 WeakPolarHBondContact CA-OG1 3.21Å; K73-T76 PolarHBondContact O-N 2.95Å; K73-T76 PolarHBondContact O-OG1 2.93Å; K73-E77 IonicContact NZ-OE1 3.15Å; K73-E77 PolarHBondContact NZ-OE1 2.97Å; K73-E77 WeakPolarHBondContact O-CB 3.23Å; K73-E77 VanDerWaalsContact O-CG 3.28Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.25Å |
| 74 | I | 89.5 | Confident | 80.6 | Confident | 73 Ų | 73 | 102 Ų | 102 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 175 | -65.3 | 166.4 | 0 | 0 | 0 | 110.9 | V70 T76 E77 Q78 | V70-I74 HydrophobicContact CG1-CD1 3.8Å; V70-I74 WeakPolarHBondContact O-CG1 3.47Å; V70-I74 PolarHBondContact O-N 2.94Å; I74-T76 VanDerWaalsContact C-N 3.34Å; I74-E77 PolarHBondContact O-N 3.13Å; I74-Q78 HydrophobicContact CG2-CG 4.31Å; I74-Q78 WeakPolarHBondContact O-CB 3.38Å; I74-Q78 VanDerWaalsContact O-CG 3.3Å; I74-Q78 WeakPolarHBondContact O-CG 3.14Å; I74-Q78 PolarHBondContact O-N 2.88Å |
| 75 | N | 86.6 | Confident | 78.7 | Confident | 101 Ų | 101 | 106 Ų | 106 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.2 | -18 | 178 | -154 | 126 | 0 | 0 | 0 | 113.1 | C71 H72 K73 | C71-N75 WeakPolarHBondContact O-CB 3.34Å; C71-N75 PolarHBondContact O-N 3.45Å; H72-N75 PolarHBondContact O-N 3.47Å; K73-N75 VanDerWaalsContact C-N 3.31Å; K73-N75 PolarHBondContact O-N 3.38Å |
| 76 | T | 82.4 | Confident | 76.6 | Confident | 49 Ų | 49 | 113.5 Ų | 113.5 | 30% | 0.301 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -79 | -49.4 | 164.6 | 41.9 | 0 | 0 | 0 | 0 | 110.3 | H72 K73 I74 Q78 N79 D80 | H72-T76 PolarHBondContact O-N 2.99Å; H72-T76 PolarHBondContact O-OG1 3.36Å; K73-T76 WeakPolarHBondContact CA-OG1 3.21Å; K73-T76 PolarHBondContact O-N 2.95Å; K73-T76 PolarHBondContact O-OG1 2.93Å; I74-T76 VanDerWaalsContact C-N 3.34Å; T76-Q78 VanDerWaalsContact C-N 3.29Å; T76-Q78 PolarHBondContact O-N 2.89Å; T76-N79 WeakPolarHBondContact O-CA 3.38Å; T76-N79 WeakPolarHBondContact O-CB 3.45Å; T76-N79 PolarHBondContact O-N 3.13Å; T76-D80 VanDerWaalsContact C-OD2 3.27Å; T76-D80 PolarHBondContact O-N 2.94Å; T76-D80 VanDerWaalsContact O-OD2 3.08Å |
| 77 | E | 82.1 | Confident | 74.5 | Confident | 74 Ų | 74 | 117 Ų | 117 | 35% | 0.346 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -56.9 | -40.2 | -179.3 | -70.4 | 163.7 | 164.1 | 0 | 0 | 112.2 | K73 I74 N79 E81 | K73-E77 IonicContact NZ-OE1 3.15Å; K73-E77 PolarHBondContact NZ-OE1 2.97Å; K73-E77 WeakPolarHBondContact O-CB 3.23Å; K73-E77 VanDerWaalsContact O-CG 3.28Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.25Å; I74-E77 PolarHBondContact O-N 3.13Å; E77-N79 PolarHBondContact O-N 2.99Å; E77-E81 WeakPolarHBondContact O-CB 3.46Å; E77-E81 WeakPolarHBondContact O-CG 3.24Å; E77-E81 PolarHBondContact O-N 2.95Å |
| 78 | Q | 74.2 | Confident | 72.2 | Confident | 126 Ų | 126 | 118.4 Ų | 118.4 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.2 | -6.9 | 175.5 | -72.2 | -179.1 | -6.2 | 0 | 0 | 115.6 | I74 T76 | I74-Q78 HydrophobicContact CG2-CG 4.31Å; I74-Q78 WeakPolarHBondContact O-CB 3.38Å; I74-Q78 VanDerWaalsContact O-CG 3.3Å; I74-Q78 WeakPolarHBondContact O-CG 3.14Å; I74-Q78 PolarHBondContact O-N 2.88Å; T76-Q78 VanDerWaalsContact C-N 3.29Å; T76-Q78 PolarHBondContact O-N 2.89Å |
| 79 | N | 65.5 | Low | 69.9 | Low | 76 Ų | 76 | 119.2 Ų | 119.2 | 41% | 0.406 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -102.1 | -45.3 | 173.2 | -103.2 | 75.5 | 0 | 0 | 0 | 109.9 | T76 E77 E81 V82 E83 | T76-N79 WeakPolarHBondContact O-CA 3.38Å; T76-N79 WeakPolarHBondContact O-CB 3.45Å; T76-N79 PolarHBondContact O-N 3.13Å; E77-N79 PolarHBondContact O-N 2.99Å; N79-E81 VanDerWaalsContact C-N 3.31Å; N79-E81 PolarHBondContact O-N 3.26Å; N79-V82 PolarHBondContact O-N 3.22Å; N79-E83 PolarHBondContact O-N 2.98Å |
| 80 | D | 61.1 | Low | 67.9 | Low | 88 Ų | 88 | 120.4 Ų | 120.4 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.5 | -41 | 178 | -53.8 | -32.6 | 0 | 0 | 0 | 110.7 | T76 V82 E83 E84 | T76-D80 VanDerWaalsContact C-OD2 3.27Å; T76-D80 PolarHBondContact O-N 2.94Å; T76-D80 VanDerWaalsContact O-OD2 3.08Å; D80-V82 PolarHBondContact O-N 2.85Å; D80-V82 VanDerWaalsContact O-N 3.07Å; D80-E83 PolarHBondContact O-N 2.86Å; D80-E84 PolarHBondContact O-N 2.96Å |
| 81 | E | 57 | Low | 65.5 | Low | 152 Ų | 152 | 125.6 Ų | 125.6 | 71% | 0.71 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.7 | -4.4 | 173.2 | -75.4 | -179 | 174.8 | 0 | 0 | 114.8 | E77 N79 | E77-E81 WeakPolarHBondContact O-CB 3.46Å; E77-E81 WeakPolarHBondContact O-CG 3.24Å; E77-E81 PolarHBondContact O-N 2.95Å; N79-E81 VanDerWaalsContact C-N 3.31Å; N79-E81 PolarHBondContact O-N 3.26Å |
| 82 | V | 56.1 | Low | 63 | Low | 99 Ų | 99 | 125.4 Ų | 125.4 | 60% | 0.6 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -112.4 | -23.2 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 112 | N79 D80 | N79-V82 PolarHBondContact O-N 3.22Å; D80-V82 PolarHBondContact O-N 2.85Å; D80-V82 VanDerWaalsContact O-N 3.07Å |
| 83 | E | 55.1 | Low | 60.6 | Low | 137 Ų | 137 | 124.9 Ų | 124.9 | 64% | 0.64 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -91.2 | -19.8 | -177.9 | -67.9 | 177.9 | -154.1 | 0 | 0 | 112.7 | N79 D80 | N79-E83 PolarHBondContact O-N 2.98Å; D80-E83 PolarHBondContact O-N 2.86Å |
| 84 | E | 52 | Low | 58.4 | Low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -8.5 | 175.5 | -70.3 | -166.2 | 170 | 0 | 0 | 115.3 | D80 | D80-E84 PolarHBondContact O-N 2.96Š|
| 85 | E | 50.7 | Low | 56.5 | Low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -6.8 | 179.9 | -69.6 | -160.7 | 155.4 | 0 | 0 | 115.3 | | |
| 86 | E | 51.7 | Low | 54.9 | Low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -106.4 | -4.9 | -177.2 | -69.1 | -161.4 | 155.7 | 0 | 0 | 115.9 | | |
| 87 | E | 48.5 | Very low | 53.7 | Low | 191 Ų | 191 | 140.1 Ų | 140.1 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -102.5 | 16.8 | -172.8 | -147.6 | 178.5 | -154.8 | 0 | 0 | 115.4 | | |
| 88 | A | 46.7 | Very low | 52.2 | Low | 83 Ų | 83 | 141.6 Ų | 141.6 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -107.1 | -12.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 89 | D | 46.8 | Very low | 50.7 | Low | 165 Ų | 165 | 140.8 Ų | 140.8 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -121.9 | 42.6 | -157.7 | -83.4 | -35.7 | 0 | 0 | 0 | 116.5 | | |
| 90 | D | 50.7 | Low | 49.7 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -146.6 | 46 | 168.4 | -159.2 | 25.9 | 0 | 0 | 0 | 116.1 | | |
| 91 | E | 43 | Very low | 48.6 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | -134.3 | 92 | 167.5 | -98.5 | -70.9 | -169.9 | 0 | 0 | 110.2 | | |
| 92 | G | 39.4 | Very low | 47.8 | Very low | 77 Ų | 77 | 145.1 Ų | 145.1 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -168.9 | 1.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 93 | S | 42.2 | Very low | 47.1 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | | | trans | -154.2 | 147.3 | 173.4 | 75.9 | 0 | 0 | 0 | 0 | 117 | | |
| 94 | R | 44.8 | Very low | 46.2 | Very low | 236 Ų | 236 | 147 Ų | 147 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | | | trans | 99.3 | 85.3 | 156.6 | -154.1 | 174.1 | -162.6 | 151 | 4 | 119.4 | | |
| 95 | E | 49.3 | Very low | 45.7 | Very low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | | | trans | 40.4 | 130.7 | 151.8 | -71.4 | -162.8 | 117.2 | 0 | 0 | 122.1 | P97 | E95-P97 WeakPolarHBondContact O-CD 3.46Š|
| 96 | P | 52.5 | Low | 44.9 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 120.3 | 172.2 | 33.3 | -32.1 | 0 | 0 | 0 | 112.8 | | |
| 97 | P | 57.9 | Low | 44.1 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 128.6 | 168.7 | 29.5 | -32.8 | 0 | 0 | 0 | 110.8 | E95 | E95-P97 WeakPolarHBondContact O-CD 3.46Š|
| 98 | A | 50.1 | Low | 43.6 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 99 | A | 44 | Very low | 43.2 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 126.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 100 | G | 43.1 | Very low | 42.9 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -151.9 | 108 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 101 | P | 39.3 | Very low | 42.1 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | | | trans | -102.5 | 160.4 | -164.5 | 37.8 | -36 | 0 | 0 | 0 | 115.3 | | |
| 102 | R | 40.2 | Very low | 41.6 | Very low | 230 Ų | 230 | 136.8 Ų | 136.8 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | 75.1 | 147.7 | 175.3 | -44.6 | 173.3 | 162.6 | 106.6 | -3.5 | 112.9 | | |
| 103 | T | 40.4 | Very low | 41.6 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | cis | -153 | 154.9 | 29 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 104 | L | 37.4 | Very low | 41.2 | Very low | 149 Ų | 149 | 137 Ų | 137 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | -26.7 | 134.5 | 160.4 | -99.1 | 161 | 0 | 0 | 0 | 117.3 | | |
| 105 | L | 41 | Very low | 41.1 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | | 162.6 | 124.6 | 128 | -85.5 | 171.2 | 0 | 0 | 0 | 107.1 | | |
| 106 | Q | 33.1 | Very low | 40.6 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | cis | 111.1 | 89.9 | 49.2 | -179.4 | 70.8 | 37.6 | 0 | 0 | 110.7 | | |
| 107 | G | 35.1 | Very low | 39.7 | Very low | 52 Ų | 52 | 130.7 Ų | 130.7 | 54% | 0.536 | 79% | 0.787 | S | S | . | * | | | trans | 94.1 | 118.9 | 131.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 108 | Y | 38.1 | Very low | 39 | Very low | 216 Ų | 216 | 134.2 Ų | 134.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | 69.3 | 160.1 | 151.3 | -40.2 | -78.5 | 0 | 0 | 0 | 115.5 | | |
| 109 | V | 38.3 | Very low | 38.5 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | cis | -137.7 | 170.9 | 17.7 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 110 | L | 41 | Very low | 38.4 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -34.7 | 166.2 | 164.6 | -46.8 | 160 | 0 | 0 | 0 | 115.2 | | |
| 111 | Q | 34.5 | Very low | 38.3 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | cis | -160.7 | 177.1 | 25.7 | -159.6 | 136.6 | -18.9 | 0 | 0 | 113.8 | | |
| 112 | S | 31.1 | Very low | 38.2 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | -60.8 | 145.3 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 113 | A | 39.4 | Very low | 38 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -156.4 | 138.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 114 | A | 35.2 | Very low | 37.8 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -164.8 | 166.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 115 | P | 42.2 | Very low | 37.8 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | cis | -119.8 | -170.9 | -14.9 | 40.8 | -27 | 0 | 0 | 0 | 111.6 | | |
| 116 | A | 38.1 | Very low | 37.5 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -153.6 | 125.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 117 | E | 34.5 | Very low | 37.5 | Very low | 176 Ų | 176 | 121.1 Ų | 121.1 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -94.9 | 161 | 166.6 | -65.3 | -164.3 | 137 | 0 | 0 | 111.2 | | |
| 118 | Q | 42.8 | Very low | 37.5 | Very low | 201 Ų | 201 | 124.6 Ų | 124.6 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | | | trans | -134.3 | 135 | 158.3 | -68.9 | -170.4 | -2.7 | 0 | 0 | 109.4 | | |
| 119 | S | 39.4 | Very low | 37.5 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -131 | 136.5 | -168.5 | -28.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 120 | S | 42.2 | Very low | 37.1 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -159.6 | 120.5 | 156.2 | 43.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 121 | S | 40.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | | 58.2 | 127.3 | 64.5 | 80.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 122 | S | 37 | Very low | 36.8 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | cis | -161.5 | 159 | 30.4 | 59.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 123 | A | 37.4 | Very low | 37.3 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | 44.4 | 150.4 | 131.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 124 | S | 35.8 | Very low | 37 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -173.9 | 144.6 | -13.2 | 51.9 | 0 | 0 | 0 | 0 | 114 | | |
| 125 | S | 37.5 | Very low | 37.2 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | 46.4 | 114.7 | 136 | -53.2 | 0 | 0 | 0 | 0 | 124.9 | | |
| 126 | G | 33.5 | Very low | 37.3 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | | 85.9 | 175.8 | 128.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 127 | A | 34.3 | Very low | 37.3 | Very low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | cis | -173.4 | 146.4 | -24.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 128 | T | 34.5 | Very low | 37.4 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | 64.9 | 173 | 170.7 | 16 | 0 | 0 | 0 | 0 | 115.5 | Y130 | T128-Y130 HydrophobicContact CG2-CD2 4.38Å; T128-Y130 HydrophobicContact CG2-CE2 4.05Å |
| 129 | K | 37.6 | Very low | 37.3 | Very low | 171 Ų | 171 | 114.9 Ų | 114.9 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | cis | -152.6 | 124.5 | 16.7 | -173.9 | 90.1 | -175.7 | -172.6 | 0 | 113.1 | | |
| 130 | Y | 31 | Very low | 37.5 | Very low | 202 Ų | 202 | 115.5 Ų | 115.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | 27 | 137.6 | 147.1 | -57.5 | -111.3 | 0 | 0 | 0 | 123.4 | T128 | T128-Y130 HydrophobicContact CG2-CD2 4.38Å; T128-Y130 HydrophobicContact CG2-CE2 4.05Å |
| 131 | G | 33.3 | Very low | 37.3 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -168.7 | 113.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 132 | L | 36.1 | Very low | 37.4 | Very low | 172 Ų | 172 | 122.3 Ų | 122.3 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -114.3 | 173.8 | 171.4 | -77.8 | 156.1 | 0 | 0 | 0 | 108.7 | | |
| 133 | P | 41.5 | Very low | 37.3 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | cis | -119.2 | -160 | -1.3 | 36.9 | -16.6 | 0 | 0 | 0 | 111 | | |
| 134 | G | 33.3 | Very low | 38 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | | | cis | 151.3 | -179.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 135 | S | 39.6 | Very low | 38.2 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | | | trans | 68.2 | 146.8 | 178.3 | -69.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 136 | S | 44.2 | Very low | 38.1 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | cis | -168.2 | 136.7 | -12.8 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 137 | A | 36.8 | Very low | 38.4 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | 61.6 | 148.5 | 142.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 138 | G | 37.7 | Very low | 38.5 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 101 | 92.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 139 | V | 39.8 | Very low | 38.8 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | cis | 71.7 | 102.4 | 43.6 | -172.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 140 | S | 44.9 | Very low | 38.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | 176.9 | 137.9 | 131.4 | -78.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 141 | D | 36.5 | Very low | 38.9 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -79.1 | 153.9 | 173.6 | -70.6 | -78.4 | 0 | 0 | 0 | 114.3 | | |
| 142 | K | 42.3 | Very low | 39.4 | Very low | 211 Ų | 211 | 123.5 Ų | 123.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | | -163.6 | 151.9 | 126.1 | -112.7 | 170.4 | -175.5 | 176.8 | 0 | 114.5 | | |
| 143 | S | 36.6 | Very low | 39.3 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -112 | -174.6 | -167 | -23.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 144 | P | 52.1 | Low | 39.2 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -123.8 | -180 | -133.8 | 41 | -24.2 | 0 | 0 | 0 | 116.7 | | |
| 145 | S | 38.3 | Very low | 39.2 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -175.7 | 157.2 | 170.9 | -85.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 146 | I | 37.1 | Very low | 38.8 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | cis | -164.3 | 174 | -10.3 | -113.5 | 167.9 | 0 | 0 | 0 | 108.7 | | |
| 147 | A | 38.6 | Very low | 38.7 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | trans | 80.2 | 122.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 148 | S | 36.5 | Very low | 38.9 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | | 79.8 | 116.7 | 59.8 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 149 | I | 41 | Very low | 39.5 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | | -167.1 | 155.4 | 85.9 | -86 | 156.3 | 0 | 0 | 0 | 109.6 | | |
| 150 | P | 38.1 | Very low | 39.3 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | trans | -111.3 | 175.6 | -168.1 | 41.9 | -35.8 | 0 | 0 | 0 | 117.3 | | |
| 151 | S | 33.7 | Very low | 38.9 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 83.9 | 108.7 | 153 | -56.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 152 | S | 41.7 | Very low | 38.9 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -163.7 | 163.2 | 137.6 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 153 | N | 34 | Very low | 38.5 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -86.9 | 159.4 | 179.6 | -56.3 | -57.9 | 0 | 0 | 0 | 112.1 | | |
| 154 | I | 41.1 | Very low | 38.4 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | 171.5 | 154.1 | 134.8 | -90.6 | 157 | 0 | 0 | 0 | 109.7 | | |
| 155 | P | 32.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | trans | -113.6 | 172.1 | -152.7 | 41.6 | -32.6 | 0 | 0 | 0 | 116.9 | | |
| 156 | V | 31.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | 41.7 | 107.3 | 150.8 | 178 | 0 | 0 | 0 | 0 | 118.9 | | |
| 157 | V | 41 | Very low | 37.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -151.8 | 129.3 | 142.7 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 158 | P | 41.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 148.1 | 161.3 | 34.9 | -31.6 | 0 | 0 | 0 | 111.1 | A160 | P158-A160 PolarHBondContact O-N 3.41Š|
| 159 | P | 51.3 | Low | 36.8 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 130.5 | -179.6 | 28.1 | -34 | 0 | 0 | 0 | 111.7 | | |
| 160 | A | 34.9 | Very low | 36.2 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 162.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P158 | P158-A160 PolarHBondContact O-N 3.41Š|
| 161 | A | 35.5 | Very low | 36.1 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 171 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 162 | S | 36.5 | Very low | 36.2 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -125.2 | 117.6 | 160.6 | -73.5 | 0 | 0 | 0 | 0 | 107 | | |
| 163 | S | 34.3 | Very low | 35.7 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | | 68.5 | 130 | 81.7 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 164 | Q | 35.4 | Very low | 35.7 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | cis | -138.7 | -176.8 | 19.7 | -53.9 | 166.4 | -83.5 | 0 | 0 | 109.2 | | |
| 165 | Q | 35.5 | Very low | 35.8 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | cis | -158.9 | 134.2 | 13.7 | -159.1 | 161.8 | -4 | 0 | 0 | 112.6 | | |
| 166 | Q | 32.2 | Very low | 36.2 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | | | trans | -1.9 | 156.6 | 145.6 | -69.3 | 170.7 | -20.1 | 0 | 0 | 120.8 | | |
| 167 | Q | 33.1 | Very low | 36.6 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | cis | -149 | -175 | 30.5 | -67.2 | 176.7 | -17 | 0 | 0 | 112 | | |
| 168 | Q | 30.3 | Very low | 36.3 | Very low | 151 Ų | 151 | 144 Ų | 144 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | | 177.9 | 119.1 | -58.7 | 177.4 | -179.3 | 52 | 0 | 0 | 110.8 | | |
| 169 | Q | 37.3 | Very low | 36 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | trans | -176.6 | 159.6 | 147.2 | -104.4 | 149.4 | 106.8 | 0 | 0 | 112 | | |
| 170 | Q | 28.7 | Very low | 35 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -144.2 | -159.5 | -172 | -49 | -171.4 | -18.9 | 0 | 0 | 112.9 | | |
| 171 | P | 35.7 | Very low | 35 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | -127.1 | 176 | -124.6 | 34.5 | -10.5 | 0 | 0 | 0 | 116 | | |
| 172 | I | 35.5 | Very low | 34.9 | Very low | 174 Ų | 174 | 150 Ų | 150 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | | | trans | -134.7 | 141.8 | 168.3 | -64 | -175.7 | 0 | 0 | 0 | 110.9 | | |
| 173 | R | 31.7 | Very low | 35 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | | | trans | -80.6 | 158.1 | 178.8 | -63.2 | 170.8 | 167.8 | 171.3 | -5.8 | 112.8 | | |
| 174 | M | 33.4 | Very low | 35 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | | -156.7 | 161.9 | 128.8 | -91.3 | -120.5 | 58.6 | 0 | 0 | 111 | | |
| 175 | I | 44.4 | Very low | 34.8 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | | | trans | -141.8 | 180 | -170.3 | -18 | 178 | 0 | 0 | 0 | 109.4 | | |
| 176 | P | 41.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | | -121.6 | 178.3 | -103.4 | 43 | -28.4 | 0 | 0 | 0 | 116 | | |
| 177 | G | 38.6 | Very low | 35.2 | Very low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | 163.1 | 166 | 163 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 178 | Q | 35.6 | Very low | 35.3 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | cis | -168.8 | 152.9 | -19.3 | -154.8 | -169.1 | 58.9 | 0 | 0 | 108.5 | | |
| 179 | Q | 34.8 | Very low | 35.4 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | | | trans | 68.8 | 138 | 170.6 | -44.7 | 179 | 26.9 | 0 | 0 | 115 | | |
| 180 | A | 31.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | cis | 93.7 | 97.1 | 16.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 181 | A | 34.5 | Very low | 35.7 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | 171.5 | 159.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 182 | F | 33.8 | Very low | 36.1 | Very low | 208 Ų | 208 | 129.3 Ų | 129.3 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | | | cis | -171.7 | 136.8 | -38.9 | -116.7 | -65.6 | 0 | 0 | 0 | 107.8 | | |
| 183 | G | 37.6 | Very low | 36.2 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | 75.5 | 164.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 184 | G | 35.3 | Very low | 36.3 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | cis | 179.5 | 124.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 185 | L | 31 | Very low | 36.5 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | | | trans | -66.6 | 164.2 | 165.3 | -80 | 167.2 | 0 | 0 | 0 | 110.6 | | |
| 186 | P | 41.5 | Very low | 36.5 | Very low | 112 Ų | 112 | 122 Ų | 122 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | -154.9 | 167.5 | 41.2 | 44.8 | -23.6 | 0 | 0 | 0 | 121 | | |
| 187 | V | 34.2 | Very low | 36.4 | Very low | 129 Ų | 129 | 122 Ų | 122 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | 25.4 | 129.5 | 130.5 | -172.2 | 0 | 0 | 0 | 0 | 120 | | |
| 188 | A | 34.1 | Very low | 36.3 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | | 164 | 130.3 | 119.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 189 | V | 32.8 | Very low | 36 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | | | trans | 74.2 | 135.6 | 132 | 171.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 190 | A | 37.1 | Very low | 36.2 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | 65.9 | 153.7 | 166 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 191 | G | 35.4 | Very low | 37 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | cis | -168.8 | 163.2 | -3.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 192 | P | 43.6 | Very low | 37.6 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -96 | 153 | -159.3 | 36 | -36.4 | 0 | 0 | 0 | 115.9 | | |
| 193 | S | 37.8 | Very low | 37.9 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | | | trans | -163.8 | 127.6 | 147 | -92.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 194 | Q | 35.3 | Very low | 38 | Very low | 180 Ų | 180 | 118.1 Ų | 118.1 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | trans | 63 | 127.3 | 132 | -60.2 | 171.5 | 73.5 | 0 | 0 | 121.4 | | |
| 195 | M | 36.3 | Very low | 38.2 | Very low | 175 Ų | 175 | 120.5 Ų | 120.5 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | | | trans | -128.2 | 137.9 | 155.3 | -88.6 | -86.4 | -72.6 | 0 | 0 | 108 | | |
| 196 | P | 44.2 | Very low | 38.4 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | -63.9 | 143.3 | 166 | -15.1 | 30.9 | 0 | 0 | 0 | 109.8 | | |
| 197 | T | 39.4 | Very low | 38.2 | Very low | 127 Ų | 127 | 118.8 Ų | 118.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | | 46.3 | 134.1 | 76.6 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 198 | E | 36.1 | Very low | 38.6 | Very low | 193 Ų | 193 | 118.7 Ų | 118.7 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | cis | -141.9 | 172.6 | 30.2 | -63.5 | -175.7 | 130 | 0 | 0 | 114.4 | | |
| 199 | G | 31 | Very low | 38.8 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -154.2 | 118 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 200 | G | 37.4 | Very low | 38.8 | Very low | 78 Ų | 78 | 123 Ų | 123 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -151.7 | 133.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 201 | V | 48.3 | Very low | 38.9 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | | | trans | -101.9 | -178.1 | -165.2 | -139.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 202 | P | 46.7 | Very low | 39 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | | -114.4 | -174.7 | -104.8 | 42.8 | -28.8 | 0 | 0 | 0 | 115.3 | | |
| 203 | G | 40.5 | Very low | 38.6 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -147 | 156.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 204 | A | 39.9 | Very low | 38.6 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -71.7 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 205 | V | 39.2 | Very low | 38.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | | | | -156 | 133.9 | 51.6 | 172.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 206 | V | 36.8 | Very low | 38.7 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | 6 | 123 | 145.9 | -174.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 207 | C | 35.6 | Very low | 38.2 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | | | | -173.8 | 176.5 | 101.9 | -142.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 208 | T | 42.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -135.3 | -179.1 | -166.6 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 209 | P | 38.6 | Very low | 37.6 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | | -126.4 | 171.3 | -65.5 | 39 | -24.6 | 0 | 0 | 0 | 112.3 | | |
| 210 | Q | 32.6 | Very low | 37.7 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | -139.1 | 139.7 | 162.3 | -169.9 | 179.8 | -15 | 0 | 0 | 112.2 | | |
| 211 | V | 39.5 | Very low | 37.5 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | trans | -82.7 | 131.3 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 212 | S | 38 | Very low | 36.7 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | -149.1 | 133.1 | 158.7 | -138.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 213 | A | 36.1 | Very low | 36.3 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -91.7 | 130.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 214 | A | 37.7 | Very low | 35.8 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | -133.9 | 133.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 215 | Q | 38.2 | Very low | 35.3 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | trans | -104.4 | 126.8 | -166.7 | 174.5 | 172.6 | -13.8 | 0 | 0 | 111.7 | | |
| 216 | Q | 34.6 | Very low | 35.1 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | | | trans | 58.6 | 104.3 | 145.4 | -169.1 | 177.7 | 7 | 0 | 0 | 119 | | |
| 217 | Q | 33.7 | Very low | 34.8 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | trans | -142.8 | 119.4 | 132.7 | -161.1 | 160.9 | 7.3 | 0 | 0 | 110.4 | | |
| 218 | Q | 33.6 | Very low | 34.7 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -96 | 116 | 178.1 | -75.3 | 176.8 | -62.1 | 0 | 0 | 110.8 | | |
| 219 | Q | 29.2 | Very low | 34.1 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -136.3 | 148.9 | 134.3 | -68.4 | -164.5 | 3.6 | 0 | 0 | 107.3 | | |
| 220 | P | 33.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | | | | -134.8 | 155.6 | 106.8 | 36.4 | -26.9 | 0 | 0 | 0 | 112.7 | | |
| 221 | G | 32.7 | Very low | 33.8 | Very low | 60 Ų | 60 | 140.1 Ų | 140.1 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | | | trans | -81.7 | 177.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 222 | F | 30.4 | Very low | 33.5 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -17.3 | 150.1 | 165.3 | -49.7 | -83.5 | 0 | 0 | 0 | 118 | | |
| 223 | P | 39.5 | Very low | 33.5 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | | -139.8 | 137.2 | 92.4 | 36.9 | -24.5 | 0 | 0 | 0 | 116.5 | | |
| 224 | Y | 29.3 | Very low | 33 | Very low | 216 Ų | 216 | 147.8 Ų | 147.8 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | | 64.7 | 150.4 | 127.6 | -151.5 | -99.7 | 0 | 0 | 0 | 121.9 | | |
| 225 | S | 30.4 | Very low | 32.9 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | | | trans | -57.9 | 145.8 | -179.5 | -52.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 226 | Q | 35.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | -130.1 | 125.9 | 152.7 | -74.1 | -161.8 | 12.9 | 0 | 0 | 111.9 | | |
| 227 | T | 30.6 | Very low | 32.6 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | | | trans | -83 | 136.3 | 169.7 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 228 | W | 33.2 | Very low | 32.6 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 84% | 0.837 | 80% | 0.796 | S | S | * | * | | | trans | -116.4 | 83.5 | 176.8 | -76.8 | 73.8 | 0 | 0 | 0 | 110.8 | | |
| 229 | S | 29 | Very low | 32.8 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -78.4 | 118 | 160.5 | -68.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 230 | G | 33.4 | Very low | 32.8 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -144.3 | 75.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 231 | A | 31.1 | Very low | 33 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -93.4 | 122.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 232 | L | 34.7 | Very low | 33.1 | Very low | 174 Ų | 174 | 146 Ų | 146 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -137.5 | 157.8 | 169.2 | -76.5 | -177.8 | 0 | 0 | 0 | 110.6 | | |
| 233 | P | 36.7 | Very low | 33.4 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | | | trans | -100.5 | 161.6 | -139.3 | 36.8 | -37.8 | 0 | 0 | 0 | 116.4 | | |
| 234 | Y | 26.4 | Very low | 33.1 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | | | trans | -85.2 | 132.1 | 164.7 | -112.6 | -103.8 | 0 | 0 | 0 | 111.2 | | |
| 235 | N | 35.1 | Very low | 33.4 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -155.8 | 121.4 | 151.7 | -93.1 | -48.2 | 0 | 0 | 0 | 106.7 | | |
| 236 | S | 30.9 | Very low | 33.5 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | | 84.6 | 74.4 | 58.6 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 237 | M | 35.6 | Very low | 33.6 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 97% | 0.966 | 79% | 0.788 | S | S | * | * | | | trans | -145.8 | 142.8 | 141.1 | -91.5 | -179.8 | -75.4 | 0 | 0 | 105 | | |
| 238 | G | 34.5 | Very low | 34 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | cis | 113 | 77.1 | 49 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 239 | R | 37.2 | Very low | 34.3 | Very low | 224 Ų | 224 | 134 Ų | 134 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | | 80.5 | 110 | 86 | -173.5 | -176.7 | -180 | -169.2 | -1.6 | 112.4 | | |
| 240 | E | 29.7 | Very low | 34.7 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | 51.2 | 111 | 149.5 | -48.7 | -94.6 | 86.1 | 0 | 0 | 118.9 | | |
| 241 | T | 37.4 | Very low | 34.8 | Very low | 151 Ų | 151 | 140 Ų | 140 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | | | | -179 | -179.6 | 117 | 25.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 242 | S | 35.8 | Very low | 35.3 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | | | trans | -105.6 | -177.9 | -157.8 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 243 | D | 35.6 | Very low | 35.2 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 65% | 0.647 | 79% | 0.789 | S | S | * | * | | | trans | 85.4 | 94.3 | 153.3 | -54.7 | -53.2 | 0 | 0 | 0 | 121.4 | | |
| 244 | F | 33.7 | Very low | 35.5 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | 69.9 | 160.7 | 130.9 | -74.3 | -68.5 | 0 | 0 | 0 | 119.2 | | |
| 245 | P | 36.1 | Very low | 36 | Very low | 100 Ų | 100 | 143 Ų | 143 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | -135.9 | -171.6 | -131.1 | 37.2 | -15.1 | 0 | 0 | 0 | 117 | | |
| 246 | T | 32.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 96.8 | 137.1 | 160.1 | 75 | 0 | 0 | 0 | 0 | 118.5 | | |
| 247 | S | 37.5 | Very low | 36.5 | Very low | 123 Ų | 123 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | 64.1 | 157.9 | 174.7 | 82.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 248 | S | 37.4 | Very low | 36.6 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -164 | -178.2 | -32.5 | -176.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 249 | V | 39.5 | Very low | 37 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | 71.1 | 147.1 | 168.6 | -168.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 250 | R | 37.1 | Very low | 37.7 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | | | cis | -176.2 | 131.4 | -39.9 | -179 | -179.3 | -172.4 | -166.6 | 3.6 | 107.5 | | |
| 251 | G | 36.6 | Very low | 38.6 | Very low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | | | trans | 98.7 | 157.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 252 | L | 41.4 | Very low | 38.8 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | | | cis | -137.4 | 148.3 | -3 | -74.1 | 168.5 | 0 | 0 | 0 | 110.1 | | |
| 253 | F | 31.9 | Very low | 38.9 | Very low | 202 Ų | 202 | 133.1 Ų | 133.1 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | | | trans | -95.7 | 156.2 | 171.5 | -68.4 | -83.2 | 0 | 0 | 0 | 110.3 | | |
| 254 | P | 43.2 | Very low | 39 | Very low | 99 Ų | 99 | 137 Ų | 137 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | | -138 | 172 | 84.8 | 36.5 | -19.7 | 0 | 0 | 0 | 112.5 | | |
| 255 | F | 38.4 | Very low | 39.2 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | cis | -133.3 | 159.6 | 9.1 | -65 | -98.6 | 0 | 0 | 0 | 110.8 | | |
| 256 | N | 32.2 | Very low | 39.1 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -144.5 | 126.8 | 166.3 | -172.9 | -11.5 | 0 | 0 | 0 | 109.4 | | |
| 257 | I | 43.9 | Very low | 39.6 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -96.6 | 102.5 | -177 | -62.7 | 179 | 0 | 0 | 0 | 109.8 | | |
| 258 | S | 37.6 | Very low | 39.5 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | 36.1 | 89.9 | 151 | -158.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 259 | S | 42.7 | Very low | 39.5 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -94 | 136.4 | 138.7 | -63 | 0 | 0 | 0 | 0 | 108.1 | | |
| 260 | P | 52.7 | Low | 39.6 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 126.3 | -176.4 | 28 | -33.9 | 0 | 0 | 0 | 111 | | |
| 261 | P | 47.7 | Very low | 39.6 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 122.7 | 176 | 30.6 | -32.1 | 0 | 0 | 0 | 110.6 | G263 | P261-G263 PolarHBondContact O-N 2.65Å; P261-G263 VanDerWaalsContact O-N 3.13Å |
| 262 | A | 41.4 | Very low | 39.8 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | | | trans | -70.2 | 103.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 263 | G | 38.6 | Very low | 39.9 | Very low | 53 Ų | 53 | 139 Ų | 139 | 55% | 0.546 | 79% | 0.786 | S | S | . | * | | | trans | -155.7 | 93.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P261 | P261-G263 PolarHBondContact O-N 2.65Å; P261-G263 VanDerWaalsContact O-N 3.13Å |
| 264 | F | 36.2 | Very low | 40.8 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | | | trans | 28.1 | 92.4 | 154.1 | -61.7 | -84.9 | 0 | 0 | 0 | 118.7 | | |
| 265 | F | 38.1 | Very low | 40.9 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | | | trans | -130.6 | 99.3 | 143.6 | -97.5 | -82.7 | 0 | 0 | 0 | 110 | | |
| 266 | S | 33.8 | Very low | 41 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -105.4 | 109.5 | 162 | -67.5 | 0 | 0 | 0 | 0 | 108.5 | E268 | S266-E268 PolarHBondContact O-N 3.06Š|
| 267 | P | 44.3 | Very low | 41.2 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | -84.7 | 81.8 | 164.7 | 33.2 | -30.1 | 0 | 0 | 0 | 108.9 | | |
| 268 | E | 35.6 | Very low | 41.2 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | | | trans | -78.5 | 150.3 | 164.5 | -144.3 | -158.7 | 121.8 | 0 | 0 | 109.6 | S266 | S266-E268 PolarHBondContact O-N 3.06Š|
| 269 | R | 36.2 | Very low | 41.5 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 67.8 | 66.2 | 162.9 | -48.8 | -69 | -109 | -90.9 | -2.2 | 118.5 | | |
| 270 | I | 41.1 | Very low | 41.5 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | | | trans | -131 | 92.5 | 143.3 | -51.9 | 178.9 | 0 | 0 | 0 | 106.3 | | |
| 271 | S | 39 | Very low | 41.1 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 72.7 | 113.8 | 77.4 | -157.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 272 | S | 39 | Very low | 41.4 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -32.4 | 155.7 | 169.1 | -62.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 273 | P | 43.7 | Very low | 41.9 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | cis | -142.3 | 166.5 | 39.1 | 42.5 | -23.8 | 0 | 0 | 0 | 119.9 | | |
| 274 | M | 50.7 | Low | 42.6 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 177.1 | 160.9 | -128.8 | -163.4 | -175.8 | 0 | 0 | 110.2 | | |
| 275 | P | 45.8 | Very low | 43.3 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | | -153.8 | -179.3 | 52 | 46.5 | -25.2 | 0 | 0 | 0 | 118.6 | | |
| 276 | L | 40.5 | Very low | 43.4 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | 59.4 | 94.6 | 160.7 | -51 | -168.5 | 0 | 0 | 0 | 118.8 | | |
| 277 | S | 37 | Very low | 44.2 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -91.7 | 120 | 140.9 | -177.4 | 0 | 0 | 0 | 0 | 108 | | |
| 278 | A | 42.8 | Very low | 44.2 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -110.1 | 157.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 279 | A | 44.2 | Very low | 44.9 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -70.1 | 153.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 280 | P | 43.9 | Very low | 45.2 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -85.8 | 144.7 | -175.3 | 34.1 | -35.4 | 0 | 0 | 0 | 113.4 | | |
| 281 | C | 43.5 | Very low | 45.7 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -137.5 | 114.6 | 165.7 | -77.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 282 | V | 54.4 | Low | 45.9 | Very low | 135 Ų | 135 | 122.7 Ų | 122.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 45.1 | 125.6 | 144.2 | -160.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 283 | P | 52.6 | Low | 46.5 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -89.6 | 165.3 | -178.6 | 37.9 | -37.2 | 0 | 0 | 0 | 114.6 | | |
| 284 | D | 51.8 | Low | 47.3 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -131.1 | 132.6 | 164.7 | -172.1 | 37.8 | 0 | 0 | 0 | 109.4 | | |
| 285 | P | 51.7 | Low | 47.9 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -107.1 | 114.4 | -168 | 36.1 | -28.4 | 0 | 0 | 0 | 114.5 | | |
| 286 | G | 40 | Very low | 49 | Very low | 81 Ų | 81 | 119 Ų | 119 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | 175.5 | 59.4 | 172 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 287 | A | 50.7 | Low | 50.8 | Low | 80 Ų | 80 | 113.3 Ų | 113.3 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | | | trans | -163.5 | 127 | 155.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S289 | A287-S289 PolarHBondContact O-N 3.33Š|
| 288 | P | 44.8 | Very low | 52.9 | Low | 142 Ų | 142 | 114.4 Ų | 114.4 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | | | trans | -85.5 | 91.5 | 166.8 | 33.2 | -30.6 | 0 | 0 | 0 | 110.2 | | |
| 289 | S | 50.5 | Low | 54.9 | Low | 93 Ų | 93 | 113 Ų | 113 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | trans | -131.3 | 110.4 | 178.3 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | A287 S291 | A287-S289 PolarHBondContact O-N 3.33Å; S289-S291 PolarHBondContact O-N 2.86Å |
| 290 | T | 40.9 | Very low | 56.9 | Low | 133 Ų | 133 | 113.8 Ų | 113.8 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | | | trans | -35.9 | 116.9 | 167.1 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 291 | S | 51.8 | Low | 58.9 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | | | trans | -139 | 142.7 | 164.1 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | S289 P293 | S289-S291 PolarHBondContact O-N 2.86Å; S291-P293 WeakPolarHBondContact O-CD 3.28Å |
| 292 | Q | 44.6 | Very low | 61 | Low | 179 Ų | 179 | 112.4 Ų | 112.4 | 84% | 0.836 | 68% | 0.683 | S | S | * | * | | | trans | -120.7 | 100.6 | -166.2 | -63 | 179.4 | 3.5 | 0 | 0 | 112.5 | | |
| 293 | P | 51.2 | Low | 62.8 | Low | 113 Ų | 113 | 112.4 Ų | 112.4 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | | | trans | -130.7 | 65.4 | 170.1 | 38.4 | -22.6 | 0 | 0 | 0 | 111.7 | S291 | S291-P293 WeakPolarHBondContact O-CD 3.28Š|
| 294 | T | 59.2 | Low | 64.8 | Low | 73 Ų | 73 | 110.8 Ų | 110.8 | 45% | 0.448 | 66% | 0.657 | S | S | . | * | | | trans | -145.8 | 4.4 | -174.9 | -20.3 | 0 | 0 | 0 | 0 | 116.1 | R298 | T294-R298 HydrophobicContact CG2-CG 4.41Å; T294-R298 WeakPolarHBondContact O-CB 3.17Å; T294-R298 WeakPolarHBondContact O-CD 3.32Å; T294-R298 VanDerWaalsContact O-CG 3.27Å; T294-R298 WeakPolarHBondContact O-CG 3.26Å |
| 295 | T | 64.6 | Low | 66.8 | Low | 124 Ų | 124 | 108.4 Ų | 108.4 | 76% | 0.761 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -80.6 | -50.8 | 177.2 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | R298 A299 | T295-R298 PolarHBondContact O-N 3.29Å; T295-A299 WeakPolarHBondContact O-CB 3.35Å; T295-A299 PolarHBondContact O-N 2.99Å |
| 296 | L | 68.1 | Low | 68.8 | Low | 123 Ų | 123 | 106.9 Ų | 106.9 | 64% | 0.644 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.1 | -41.1 | -176.1 | -159.6 | 158.1 | 0 | 0 | 0 | 112.1 | A299 M300 | L296-A299 WeakPolarHBondContact O-CB 3.3Å; L296-A299 PolarHBondContact O-N 2.85Å; L296-M300 HydrophobicContact CD2-CG 4.09Å; L296-M300 HydrophobicContact CD2-SD 3.68Å; L296-M300 PolarHBondContact O-N 2.78Å |
| 297 | G | 77.5 | Confident | 71.4 | Confident | 34 Ų | 34 | 106.2 Ų | 106.2 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -56 | -53.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | A299 M300 E301 | G297-A299 VanDerWaalsContact C-N 3.29Å; G297-A299 PolarHBondContact O-N 3.1Å; G297-M300 PolarHBondContact O-N 2.94Å; G297-M300 VanDerWaalsContact O-N 3.09Å; G297-E301 WeakPolarHBondContact O-CG 3.43Å; G297-E301 PolarHBondContact O-N 3.49Å |
| 298 | R | 81.6 | Confident | 73.5 | Confident | 154 Ų | 154 | 107.4 Ų | 107.4 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.8 | -35.2 | 174.9 | -72.6 | 179.3 | -177.3 | 172.5 | 2.3 | 113.3 | T294 T295 E301 N302 | T294-R298 HydrophobicContact CG2-CG 4.41Å; T294-R298 WeakPolarHBondContact O-CB 3.17Å; T294-R298 WeakPolarHBondContact O-CD 3.32Å; T294-R298 VanDerWaalsContact O-CG 3.27Å; T294-R298 WeakPolarHBondContact O-CG 3.26Å; T295-R298 PolarHBondContact O-N 3.29Å; R298-E301 WeakPolarHBondContact CA-OE2 3.08Å; R298-E301 PolarHBondContact O-N 2.83Å; R298-N302 VanDerWaalsContact O-CB 3.23Å; R298-N302 WeakPolarHBondContact O-CB 3.14Å; R298-N302 PolarHBondContact O-N 2.95Å; R298-N302 PolarHBondContact O-ND2 3.2Å |
| 299 | A | 84.8 | Confident | 76 | Confident | 58 Ų | 58 | 109 Ų | 109 | 48% | 0.479 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.5 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | T295 L296 G297 F303 | T295-A299 WeakPolarHBondContact O-CB 3.35Å; T295-A299 PolarHBondContact O-N 2.99Å; L296-A299 WeakPolarHBondContact O-CB 3.3Å; L296-A299 PolarHBondContact O-N 2.85Å; G297-A299 VanDerWaalsContact C-N 3.29Å; G297-A299 PolarHBondContact O-N 3.1Å; A299-F303 WeakPolarHBondContact O-CB 3.41Å; A299-F303 PolarHBondContact O-N 3.34Å |
| 300 | M | 85.5 | Confident | 78.1 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 56% | 0.557 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.4 | -40.5 | 173.6 | -70.2 | -177.7 | 67.2 | 0 | 0 | 112.2 | L296 G297 F303 N304 | L296-M300 HydrophobicContact CD2-CG 4.09Å; L296-M300 HydrophobicContact CD2-SD 3.68Å; L296-M300 PolarHBondContact O-N 2.78Å; G297-M300 PolarHBondContact O-N 2.94Å; G297-M300 VanDerWaalsContact O-N 3.09Å; M300-F303 PolarHBondContact O-N 2.74Å; M300-N304 PolarHBondContact O-N 3.04Å; M300-N304 PolarHBondContact O-ND2 3.43Å |
| 301 | E | 86.1 | Confident | 80.7 | Confident | 114 Ų | 114 | 106.5 Ų | 106.5 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.2 | -48.3 | 174.1 | -70.8 | 157.8 | -168.8 | 0 | 0 | 110.9 | G297 R298 F303 N304 L305 | G297-E301 WeakPolarHBondContact O-CG 3.43Å; G297-E301 PolarHBondContact O-N 3.49Å; R298-E301 WeakPolarHBondContact CA-OE2 3.08Å; R298-E301 PolarHBondContact O-N 2.83Å; E301-F303 VanDerWaalsContact C-N 3.32Å; E301-F303 PolarHBondContact O-N 3.33Å; E301-N304 PolarHBondContact O-N 2.99Å; E301-L305 WeakPolarHBondContact O-CB 3.3Å; E301-L305 WeakPolarHBondContact O-CG 3.31Å; E301-L305 PolarHBondContact O-N 3.46Å |
| 302 | N | 87.9 | Confident | 82.8 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.2 | -40.5 | 175.1 | -72.8 | -18.7 | 0 | 0 | 0 | 112.1 | R298 T306 | R298-N302 VanDerWaalsContact O-CB 3.23Å; R298-N302 WeakPolarHBondContact O-CB 3.14Å; R298-N302 PolarHBondContact O-N 2.95Å; R298-N302 PolarHBondContact O-ND2 3.2Å; N302-T306 WeakPolarHBondContact O-CB 3.38Å; N302-T306 PolarHBondContact O-N 3.02Å; N302-T306 PolarHBondContact O-OG1 3.3Å |
| 303 | F | 93.8 | Very high | 85.3 | Confident | 136 Ų | 136 | 101.9 Ų | 101.9 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.5 | -47.7 | 175 | 178 | -100.5 | 0 | 0 | 0 | 111.9 | A299 M300 E301 L305 T306 V307 | A299-F303 WeakPolarHBondContact O-CB 3.41Å; A299-F303 PolarHBondContact O-N 3.34Å; M300-F303 PolarHBondContact O-N 2.74Å; E301-F303 VanDerWaalsContact C-N 3.32Å; E301-F303 PolarHBondContact O-N 3.33Å; F303-L305 VanDerWaalsContact C-N 3.34Å; F303-L305 PolarHBondContact O-N 3.46Å; F303-T306 WeakPolarHBondContact O-CB 3.44Å; F303-T306 PolarHBondContact O-N 3.34Å; F303-T306 VanDerWaalsContact O-N 3.1Å; F303-V307 HydrophobicContact CD1-CG2 4.29Å; F303-V307 HydrophobicContact CD2-CG2 4.5Å; F303-V307 HydrophobicContact CE1-CG2 3.81Å; F303-V307 HydrophobicContact CE2-CG2 4.04Å; F303-V307 HydrophobicContact CZ-CG2 3.67Å; F303-V307 WeakPolarHBondContact O-CG2 3.37Å; F303-V307 PolarHBondContact O-N 2.86Å |
| 304 | N | 93.4 | Very high | 87.5 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 177.1 | -78.3 | -73.8 | 0 | 0 | 0 | 111.8 | M300 E301 T306 V307 L308 | M300-N304 PolarHBondContact O-N 3.04Å; M300-N304 PolarHBondContact O-ND2 3.43Å; E301-N304 PolarHBondContact O-N 2.99Å; N304-T306 VanDerWaalsContact C-N 3.34Å; N304-T306 PolarHBondContact O-N 3.43Å; N304-V307 PolarHBondContact O-N 2.88Å; N304-L308 WeakPolarHBondContact O-CB 3.25Å; N304-L308 VanDerWaalsContact O-CG 3.31Å; N304-L308 WeakPolarHBondContact O-CG 3.34Å; N304-L308 PolarHBondContact O-N 3.02Å |
| 305 | L | 93.4 | Very high | 89.2 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.7 | -37.2 | 174 | -71 | 172.1 | 0 | 0 | 0 | 112.4 | E301 F303 R309 | E301-L305 WeakPolarHBondContact O-CB 3.3Å; E301-L305 WeakPolarHBondContact O-CG 3.31Å; E301-L305 PolarHBondContact O-N 3.46Å; F303-L305 VanDerWaalsContact C-N 3.34Å; F303-L305 PolarHBondContact O-N 3.46Å; L305-R309 WeakPolarHBondContact O-CB 3.46Å; L305-R309 PolarHBondContact O-N 3.38Å |
| 306 | T | 93.8 | Very high | 90.8 | Very high | 91 Ų | 91 | 101.2 Ų | 101.2 | 56% | 0.558 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | N302 F303 N304 R309 A310 | N302-T306 WeakPolarHBondContact O-CB 3.38Å; N302-T306 PolarHBondContact O-N 3.02Å; N302-T306 PolarHBondContact O-OG1 3.3Å; F303-T306 WeakPolarHBondContact O-CB 3.44Å; F303-T306 PolarHBondContact O-N 3.34Å; F303-T306 VanDerWaalsContact O-N 3.1Å; N304-T306 VanDerWaalsContact C-N 3.34Å; N304-T306 PolarHBondContact O-N 3.43Å; T306-R309 PolarHBondContact O-N 3.05Å; T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 3.3Å |
| 307 | V | 95.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 101.3 Ų | 101.3 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | F303 N304 R309 A310 Q311 | F303-V307 HydrophobicContact CD1-CG2 4.29Å; F303-V307 HydrophobicContact CD2-CG2 4.5Å; F303-V307 HydrophobicContact CE1-CG2 3.81Å; F303-V307 HydrophobicContact CE2-CG2 4.04Å; F303-V307 HydrophobicContact CZ-CG2 3.67Å; F303-V307 WeakPolarHBondContact O-CG2 3.37Å; F303-V307 PolarHBondContact O-N 2.86Å; N304-V307 PolarHBondContact O-N 2.88Å; V307-R309 VanDerWaalsContact C-N 3.3Å; V307-R309 PolarHBondContact O-N 2.65Å; V307-A310 PolarHBondContact O-N 2.83Å; V307-Q311 WeakPolarHBondContact O-CB 3.43Å; V307-Q311 PolarHBondContact O-N 3.05Å |
| 308 | L | 95.4 | Very high | 93.1 | Very high | 104 Ų | 104 | 106.4 Ų | 106.4 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 176.4 | -76.2 | 165.6 | 0 | 0 | 0 | 112 | N304 L312 | N304-L308 WeakPolarHBondContact O-CB 3.25Å; N304-L308 VanDerWaalsContact O-CG 3.31Å; N304-L308 WeakPolarHBondContact O-CG 3.34Å; N304-L308 PolarHBondContact O-N 3.02Å; L308-L312 PolarHBondContact O-N 3.23Å |
| 309 | R | 95.7 | Very high | 93.8 | Very high | 176 Ų | 176 | 101.4 Ų | 101.4 | 66% | 0.664 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -49.6 | 175.8 | -171.7 | 177.5 | -172.7 | 120.3 | 7.3 | 111.8 | L305 T306 V307 Q311 L312 D313 | L305-R309 WeakPolarHBondContact O-CB 3.46Å; L305-R309 PolarHBondContact O-N 3.38Å; T306-R309 PolarHBondContact O-N 3.05Å; V307-R309 VanDerWaalsContact C-N 3.3Å; V307-R309 PolarHBondContact O-N 2.65Å; R309-Q311 PolarHBondContact O-N 3.34Å; R309-L312 WeakPolarHBondContact O-CB 3.22Å; R309-L312 PolarHBondContact O-N 2.88Å; R309-L312 VanDerWaalsContact O-N 3.09Å; R309-D313 PolarHBondContact O-N 2.85Å |
| 310 | A | 95 | Very high | 94.4 | Very high | 56 Ų | 56 | 104.1 Ų | 104.1 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T306 V307 Q314 | T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 3.3Å; V307-A310 PolarHBondContact O-N 2.83Å; A310-Q314 VanDerWaalsContact O-CB 3.31Å; A310-Q314 WeakPolarHBondContact O-CB 3.33Å; A310-Q314 PolarHBondContact O-N 2.95Å |
| 311 | Q | 95.8 | Very high | 94.9 | Very high | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 174.9 | -170.1 | 176.2 | 19.9 | 0 | 0 | 112.3 | V307 R309 A315 | V307-Q311 WeakPolarHBondContact O-CB 3.43Å; V307-Q311 PolarHBondContact O-N 3.05Å; R309-Q311 PolarHBondContact O-N 3.34Å; Q311-A315 WeakPolarHBondContact O-CB 3.28Å; Q311-A315 PolarHBondContact O-N 2.84Å |
| 312 | L | 96.5 | Very high | 95.4 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -45 | 173.5 | -177.8 | 64.7 | 0 | 0 | 0 | 111.6 | L308 R309 Q314 A315 Q316 | L308-L312 PolarHBondContact O-N 3.23Å; R309-L312 WeakPolarHBondContact O-CB 3.22Å; R309-L312 PolarHBondContact O-N 2.88Å; R309-L312 VanDerWaalsContact O-N 3.09Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.31Å; L312-A315 PolarHBondContact O-N 2.94Å; L312-Q316 WeakPolarHBondContact O-CB 3.31Å; L312-Q316 PolarHBondContact O-N 3.04Å |
| 313 | D | 97.4 | Very high | 95.8 | Very high | 67 Ų | 67 | 99.6 Ų | 99.6 | 36% | 0.358 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 176.8 | -69.8 | -36.9 | 0 | 0 | 0 | 110.9 | R309 Q316 Q317 | R309-D313 PolarHBondContact O-N 2.85Å; D313-Q316 PolarHBondContact O-N 3.44Å; D313-Q317 WeakPolarHBondContact O-CG 3.28Å; D313-Q317 PolarHBondContact O-N 3.08Å |
| 314 | Q | 97 | Very high | 96 | Very high | 131 Ų | 131 | 95.9 Ų | 95.9 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 173.1 | -175.1 | -178.8 | 24.3 | 0 | 0 | 112.1 | A310 L312 Q316 Q317 Q318 | A310-Q314 VanDerWaalsContact O-CB 3.31Å; A310-Q314 WeakPolarHBondContact O-CB 3.33Å; A310-Q314 PolarHBondContact O-N 2.95Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.31Å; Q314-Q316 VanDerWaalsContact C-N 3.33Å; Q314-Q316 PolarHBondContact O-N 2.82Å; Q314-Q317 PolarHBondContact O-N 2.79Å; Q314-Q318 WeakPolarHBondContact O-CB 3.44Å; Q314-Q318 PolarHBondContact O-N 3.28Å |
| 315 | A | 95.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 97.3 Ų | 97.3 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q311 L312 Q318 A319 | Q311-A315 WeakPolarHBondContact O-CB 3.28Å; Q311-A315 PolarHBondContact O-N 2.84Å; L312-A315 PolarHBondContact O-N 2.94Å; A315-Q318 PolarHBondContact O-N 2.97Å; A315-A319 WeakPolarHBondContact O-CB 3.37Å; A315-A319 PolarHBondContact O-N 3.43Å |
| 316 | Q | 97.2 | Very high | 96.4 | Very high | 111 Ų | 111 | 95.4 Ų | 95.4 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 176.2 | -170.3 | 177.8 | -83.2 | 0 | 0 | 112 | L312 D313 Q314 A319 Q320 | L312-Q316 WeakPolarHBondContact O-CB 3.31Å; L312-Q316 PolarHBondContact O-N 3.04Å; D313-Q316 PolarHBondContact O-N 3.44Å; Q314-Q316 VanDerWaalsContact C-N 3.33Å; Q314-Q316 PolarHBondContact O-N 2.82Å; Q316-A319 PolarHBondContact O-N 2.87Å; Q316-Q320 WeakPolarHBondContact O-CG 3.33Å; Q316-Q320 PolarHBondContact O-N 2.99Å |
| 317 | Q | 97.2 | Very high | 96.5 | Very high | 126 Ų | 126 | 94.1 Ų | 94.1 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 174.4 | -71.9 | 175.5 | 15.2 | 0 | 0 | 111.6 | D313 Q314 A319 Q320 V321 | D313-Q317 WeakPolarHBondContact O-CG 3.28Å; D313-Q317 PolarHBondContact O-N 3.08Å; Q314-Q317 PolarHBondContact O-N 2.79Å; Q317-A319 VanDerWaalsContact C-N 3.32Å; Q317-A319 PolarHBondContact O-N 3.2Å; Q317-Q320 PolarHBondContact O-N 3.44Å; Q317-V321 WeakPolarHBondContact O-CG2 3.28Å; Q317-V321 PolarHBondContact O-N 3.19Å |
| 318 | Q | 96.5 | Very high | 96.6 | Very high | 141 Ų | 141 | 96 Ų | 96 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 175.2 | -174 | 175.2 | -6.3 | 0 | 0 | 112 | Q314 A315 V321 A322 | Q314-Q318 WeakPolarHBondContact O-CB 3.44Å; Q314-Q318 PolarHBondContact O-N 3.28Å; A315-Q318 PolarHBondContact O-N 2.97Å; Q318-V321 PolarHBondContact O-N 3.47Å; Q318-A322 WeakPolarHBondContact O-CB 3.26Å; Q318-A322 PolarHBondContact O-N 2.86Å |
| 319 | A | 97 | Very high | 96.8 | Very high | 49 Ų | 49 | 95.8 Ų | 95.8 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A315 Q316 Q317 V321 A322 I323 | A315-A319 WeakPolarHBondContact O-CB 3.37Å; A315-A319 PolarHBondContact O-N 3.43Å; Q316-A319 PolarHBondContact O-N 2.87Å; Q317-A319 VanDerWaalsContact C-N 3.32Å; Q317-A319 PolarHBondContact O-N 3.2Å; A319-V321 PolarHBondContact O-N 3.21Å; A319-A322 PolarHBondContact O-N 2.84Å; A319-I323 VanDerWaalsContact O-CG1 3.29Å; A319-I323 WeakPolarHBondContact O-CG1 3.46Å; A319-I323 PolarHBondContact O-N 3.23Å |
| 320 | Q | 97.1 | Very high | 96.9 | Very high | 115 Ų | 115 | 94.9 Ų | 94.9 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.2 | -73.4 | 178.6 | -2.3 | 0 | 0 | 112.1 | Q316 Q317 A322 I323 A324 | Q316-Q320 WeakPolarHBondContact O-CG 3.33Å; Q316-Q320 PolarHBondContact O-N 2.99Å; Q317-Q320 PolarHBondContact O-N 3.44Å; Q320-A322 VanDerWaalsContact C-N 3.34Å; Q320-A322 PolarHBondContact O-N 3.49Å; Q320-I323 PolarHBondContact O-N 2.88Å; Q320-A324 PolarHBondContact O-N 3.44Å |
| 321 | V | 96.2 | Very high | 97 | Very high | 84 Ų | 84 | 97.5 Ų | 97.5 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 175.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | Q317 Q318 A319 A324 Q325 | Q317-V321 WeakPolarHBondContact O-CG2 3.28Å; Q317-V321 PolarHBondContact O-N 3.19Å; Q318-V321 PolarHBondContact O-N 3.47Å; A319-V321 PolarHBondContact O-N 3.21Å; V321-A324 PolarHBondContact O-N 3.3Å; V321-Q325 WeakPolarHBondContact O-CG 3.38Å; V321-Q325 PolarHBondContact O-N 2.9Å |
| 322 | A | 96.2 | Very high | 97 | Very high | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q318 A319 Q320 Q325 V326 | Q318-A322 WeakPolarHBondContact O-CB 3.26Å; Q318-A322 PolarHBondContact O-N 2.86Å; A319-A322 PolarHBondContact O-N 2.84Å; Q320-A322 VanDerWaalsContact C-N 3.34Å; Q320-A322 PolarHBondContact O-N 3.49Å; A322-Q325 PolarHBondContact O-N 3.45Å; A322-V326 WeakPolarHBondContact O-CG2 3.38Å; A322-V326 PolarHBondContact O-N 3.21Å |
| 323 | I | 97.1 | Very high | 97.1 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.4 | -69.3 | 162.5 | 0 | 0 | 0 | 110.8 | A319 Q320 Q325 V326 N327 | A319-I323 VanDerWaalsContact O-CG1 3.29Å; A319-I323 WeakPolarHBondContact O-CG1 3.46Å; A319-I323 PolarHBondContact O-N 3.23Å; Q320-I323 PolarHBondContact O-N 2.88Å; I323-Q325 VanDerWaalsContact C-N 3.34Å; I323-Q325 PolarHBondContact O-N 3.36Å; I323-V326 PolarHBondContact O-N 3.38Å; I323-N327 PolarHBondContact O-N 2.88Å |
| 324 | A | 96.8 | Very high | 97 | Very high | 59 Ų | 59 | 97.5 Ų | 97.5 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q320 V321 N327 L328 | Q320-A324 PolarHBondContact O-N 3.44Å; V321-A324 PolarHBondContact O-N 3.3Å; A324-N327 PolarHBondContact O-N 2.7Å; A324-L328 PolarHBondContact O-N 3.03Å |
| 325 | Q | 97.4 | Very high | 97 | Very high | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 174.1 | -71.1 | 174.7 | 20 | 0 | 0 | 112.4 | V321 A322 I323 L329 | V321-Q325 WeakPolarHBondContact O-CG 3.38Å; V321-Q325 PolarHBondContact O-N 2.9Å; A322-Q325 PolarHBondContact O-N 3.45Å; I323-Q325 VanDerWaalsContact C-N 3.34Å; I323-Q325 PolarHBondContact O-N 3.36Å; Q325-L329 WeakPolarHBondContact O-CB 3.49Å; Q325-L329 VanDerWaalsContact O-CG 3.29Å; Q325-L329 WeakPolarHBondContact O-CG 3.39Å; Q325-L329 PolarHBondContact O-N 3.32Å |
| 326 | V | 97.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 97.4 Ų | 97.4 | 42% | 0.418 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 176.3 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | A322 I323 L329 R330 | A322-V326 WeakPolarHBondContact O-CG2 3.38Å; A322-V326 PolarHBondContact O-N 3.21Å; I323-V326 PolarHBondContact O-N 3.38Å; V326-L329 PolarHBondContact O-N 2.99Å; V326-R330 VanDerWaalsContact O-CG 3.26Å; V326-R330 WeakPolarHBondContact O-CG 3.25Å; V326-R330 PolarHBondContact O-N 2.85Å |
| 327 | N | 97.3 | Very high | 96.9 | Very high | 64 Ų | 64 | 95.6 Ų | 95.6 | 34% | 0.342 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -46.2 | 176 | -72.6 | -10 | 0 | 0 | 0 | 111.6 | I323 A324 L329 R330 E331 | I323-N327 PolarHBondContact O-N 2.88Å; A324-N327 PolarHBondContact O-N 2.7Å; N327-L329 VanDerWaalsContact C-N 3.27Å; N327-L329 PolarHBondContact O-N 2.85Å; N327-R330 WeakPolarHBondContact O-CA 3.41Å; N327-R330 WeakPolarHBondContact O-CB 3.48Å; N327-R330 PolarHBondContact O-N 3.06Å; N327-E331 WeakPolarHBondContact O-CG 3.5Å; N327-E331 PolarHBondContact O-N 2.72Å |
| 328 | L | 97.8 | Very high | 96.9 | Very high | 108 Ų | 108 | 93.8 Ų | 93.8 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.3 | -39.8 | 173.4 | 178.5 | 62.6 | 0 | 0 | 0 | 112.3 | A324 E331 Q332 | A324-L328 PolarHBondContact O-N 3.03Å; L328-E331 PolarHBondContact O-N 2.89Å; L328-Q332 WeakPolarHBondContact O-CB 3.39Å; L328-Q332 PolarHBondContact O-N 3.02Å |
| 329 | L | 97.8 | Very high | 96.9 | Very high | 99 Ų | 99 | 89.1 Ų | 89.1 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -32.4 | 174.9 | -72.3 | 171.2 | 0 | 0 | 0 | 112.7 | Q325 V326 N327 L333 | Q325-L329 WeakPolarHBondContact O-CB 3.49Å; Q325-L329 VanDerWaalsContact O-CG 3.29Å; Q325-L329 WeakPolarHBondContact O-CG 3.39Å; Q325-L329 PolarHBondContact O-N 3.32Å; V326-L329 PolarHBondContact O-N 2.99Å; N327-L329 VanDerWaalsContact C-N 3.27Å; N327-L329 PolarHBondContact O-N 2.85Å; L329-L333 VanDerWaalsContact O-CB 3.28Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CD1 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.25Å; L329-L333 PolarHBondContact O-N 3.19Å |
| 330 | R | 98 | Very high | 96.9 | Very high | 157 Ų | 157 | 93.1 Ų | 93.1 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.3 | -41.9 | 173.4 | -74.6 | 164.1 | 170 | -177 | -6.4 | 111.8 | V326 N327 L333 S334 | V326-R330 VanDerWaalsContact O-CG 3.26Å; V326-R330 WeakPolarHBondContact O-CG 3.25Å; V326-R330 PolarHBondContact O-N 2.85Å; N327-R330 WeakPolarHBondContact O-CA 3.41Å; N327-R330 WeakPolarHBondContact O-CB 3.48Å; N327-R330 PolarHBondContact O-N 3.06Å; R330-L333 PolarHBondContact O-N 2.95Å; R330-S334 PolarHBondContact O-N 2.92Å; R330-S334 PolarHBondContact O-OG 3.21Å |
| 331 | E | 97.1 | Very high | 96.9 | Very high | 111 Ų | 111 | 92.9 Ų | 92.9 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174.4 | -70.8 | 158.7 | -152.6 | 0 | 0 | 111.1 | N327 L328 L333 S334 V335 | N327-E331 WeakPolarHBondContact O-CG 3.5Å; N327-E331 PolarHBondContact O-N 2.72Å; L328-E331 PolarHBondContact O-N 2.89Å; E331-L333 VanDerWaalsContact C-N 3.31Å; E331-L333 PolarHBondContact O-N 2.93Å; E331-S334 PolarHBondContact O-N 3.18Å; E331-S334 PolarHBondContact O-OG 2.89Å; E331-V335 WeakPolarHBondContact O-CG2 3.34Å; E331-V335 PolarHBondContact O-N 2.91Å |
| 332 | Q | 97.2 | Very high | 96.8 | Very high | 127 Ų | 127 | 93.6 Ų | 93.6 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 174 | -172.1 | 178.4 | -0.3 | 0 | 0 | 111.5 | L328 E336 | L328-Q332 WeakPolarHBondContact O-CB 3.39Å; L328-Q332 PolarHBondContact O-N 3.02Å; Q332-E336 WeakPolarHBondContact O-CB 3.46Å; Q332-E336 PolarHBondContact O-N 3.35Å |
| 333 | L | 97.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 94 Ų | 94 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.8 | -32.8 | 176.6 | -76.5 | 169.4 | 0 | 0 | 0 | 113.2 | L329 R330 E331 T337 | L329-L333 VanDerWaalsContact O-CB 3.28Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CD1 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.25Å; L329-L333 PolarHBondContact O-N 3.19Å; R330-L333 PolarHBondContact O-N 2.95Å; E331-L333 VanDerWaalsContact C-N 3.31Å; E331-L333 PolarHBondContact O-N 2.93Å; L333-T337 VanDerWaalsContact O-CB 3.25Å; L333-T337 WeakPolarHBondContact O-CB 3.44Å; L333-T337 PolarHBondContact O-N 3.21Å; L333-T337 PolarHBondContact O-OG1 3.27Å |
| 334 | S | 96.2 | Very high | 96.7 | Very high | 66 Ų | 66 | 93.9 Ų | 93.9 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.1 | -45.5 | 176.2 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | R330 E331 T337 T338 | R330-S334 PolarHBondContact O-N 2.92Å; R330-S334 PolarHBondContact O-OG 3.21Å; E331-S334 PolarHBondContact O-N 3.18Å; E331-S334 PolarHBondContact O-OG 2.89Å; S334-T337 CarbonylContact O-C 3.6Å; S334-T337 WeakPolarHBondContact O-CA 3.35Å; S334-T337 WeakPolarHBondContact O-CB 3.34Å; S334-T337 PolarHBondContact O-N 2.88Å; S334-T338 PolarHBondContact O-N 3.01Å; S334-T338 PolarHBondContact O-OG1 2.94Å |
| 335 | V | 96.1 | Very high | 96.7 | Very high | 95 Ų | 95 | 93.7 Ų | 93.7 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | E331 T337 T338 A339 | E331-V335 WeakPolarHBondContact O-CG2 3.34Å; E331-V335 PolarHBondContact O-N 2.91Å; V335-T337 PolarHBondContact O-N 3.47Å; V335-T338 PolarHBondContact O-N 2.88Å; V335-T338 PolarHBondContact O-OG1 3.39Å; V335-A339 WeakPolarHBondContact O-CB 3.4Å; V335-A339 PolarHBondContact O-N 3.11Å |
| 336 | E | 94.7 | Very high | 96.7 | Very high | 88 Ų | 88 | 94.8 Ų | 94.8 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -32 | 172.5 | 174.5 | 81.2 | 165.2 | 0 | 0 | 111.6 | Q332 R340 | Q332-E336 WeakPolarHBondContact O-CB 3.46Å; Q332-E336 PolarHBondContact O-N 3.35Å; E336-R340 WeakPolarHBondContact O-CB 3.37Å; E336-R340 WeakPolarHBondContact O-CG 3.38Å; E336-R340 PolarHBondContact O-N 2.84Å; E336-R340 IonicContact OE1-CZ 2.62Å; E336-R340 IonicContact OE1-NH1 2.6Å; E336-R340 PolarHBondContact OE1-NH1 3.38Å; E336-R340 IonicContact OE1-NH2 3.26Å; E336-R340 PolarHBondContact OE1-NH2 2.8Å |
| 337 | T | 96.7 | Very high | 96.6 | Very high | 73 Ų | 73 | 95.2 Ų | 95.2 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.3 | -40.7 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 112 | L333 S334 V335 R340 L341 | L333-T337 VanDerWaalsContact O-CB 3.25Å; L333-T337 WeakPolarHBondContact O-CB 3.44Å; L333-T337 PolarHBondContact O-N 3.21Å; L333-T337 PolarHBondContact O-OG1 3.27Å; S334-T337 CarbonylContact O-C 3.6Å; S334-T337 WeakPolarHBondContact O-CA 3.35Å; S334-T337 WeakPolarHBondContact O-CB 3.34Å; S334-T337 PolarHBondContact O-N 2.88Å; V335-T337 PolarHBondContact O-N 3.47Å; T337-R340 WeakPolarHBondContact O-CB 3.31Å; T337-R340 PolarHBondContact O-N 3.45Å; T337-L341 HydrophobicContact CG2-CD1 4.41Å; T337-L341 WeakPolarHBondContact O-CG 3.4Å; T337-L341 PolarHBondContact O-N 3.25Å |
| 338 | T | 96.5 | Very high | 96.6 | Very high | 88 Ų | 88 | 97.4 Ų | 97.4 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | S334 V335 R340 L341 E342 | S334-T338 PolarHBondContact O-N 3.01Å; S334-T338 PolarHBondContact O-OG1 2.94Å; V335-T338 PolarHBondContact O-N 2.88Å; V335-T338 PolarHBondContact O-OG1 3.39Å; T338-R340 VanDerWaalsContact C-N 3.27Å; T338-R340 PolarHBondContact O-N 3.49Å; T338-L341 PolarHBondContact O-N 2.62Å; T338-E342 WeakPolarHBondContact O-CB 3.45Å; T338-E342 PolarHBondContact O-N 3.26Å |
| 339 | A | 96.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 98.1 Ų | 98.1 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -34.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | V335 S343 | V335-A339 WeakPolarHBondContact O-CB 3.4Å; V335-A339 PolarHBondContact O-N 3.11Å; A339-S343 WeakPolarHBondContact O-CB 3.28Å; A339-S343 PolarHBondContact O-N 3.25Å; A339-S343 PolarHBondContact O-OG 2.89Å |
| 340 | R | 97.2 | Very high | 96.5 | Very high | 133 Ų | 133 | 98.9 Ų | 98.9 | 50% | 0.502 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 171.2 | -86 | -171.7 | 175.8 | 98.2 | 23.9 | 113.6 | E336 T337 T338 S343 Q344 | E336-R340 WeakPolarHBondContact O-CB 3.37Å; E336-R340 WeakPolarHBondContact O-CG 3.38Å; E336-R340 PolarHBondContact O-N 2.84Å; E336-R340 IonicContact OE1-CZ 2.62Å; E336-R340 IonicContact OE1-NH1 2.6Å; E336-R340 PolarHBondContact OE1-NH1 3.38Å; E336-R340 IonicContact OE1-NH2 3.26Å; E336-R340 PolarHBondContact OE1-NH2 2.8Å; T337-R340 WeakPolarHBondContact O-CB 3.31Å; T337-R340 PolarHBondContact O-N 3.45Å; T338-R340 VanDerWaalsContact C-N 3.27Å; T338-R340 PolarHBondContact O-N 3.49Å; R340-S343 PolarHBondContact O-OG 2.85Å; R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 VanDerWaalsContact O-CG 3.25Å; R340-Q344 WeakPolarHBondContact O-CG 3.48Å; R340-Q344 PolarHBondContact O-N 3.02Å; R340-Q344 PolarHBondContact O-NE2 2.95Å |
| 341 | L | 96.9 | Very high | 96.5 | Very high | 110 Ų | 110 | 96.6 Ų | 96.6 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.2 | -43 | 177.2 | -71.3 | 170 | 0 | 0 | 0 | 110.8 | T337 T338 Q344 S345 | T337-L341 HydrophobicContact CG2-CD1 4.41Å; T337-L341 WeakPolarHBondContact O-CG 3.4Å; T337-L341 PolarHBondContact O-N 3.25Å; T338-L341 PolarHBondContact O-N 2.62Å; L341-Q344 PolarHBondContact O-N 3.09Å; L341-S345 PolarHBondContact O-N 2.98Å |
| 342 | E | 95.7 | Very high | 96.5 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 177 | -171 | -164.8 | -174 | 0 | 0 | 112.1 | T338 Q344 S345 R346 | T338-E342 WeakPolarHBondContact O-CB 3.45Å; T338-E342 PolarHBondContact O-N 3.26Å; E342-Q344 VanDerWaalsContact C-N 3.29Å; E342-Q344 PolarHBondContact O-N 2.89Å; E342-S345 WeakPolarHBondContact O-CB 3.41Å; E342-S345 PolarHBondContact O-N 2.85Å; E342-S345 VanDerWaalsContact O-N 3.09Å; E342-R346 WeakPolarHBondContact O-CG 3.42Å; E342-R346 PolarHBondContact O-N 3.03Å; E342-R346 IonicContact OE1-CZ 3.11Å; E342-R346 IonicContact OE1-NE 3.06Å; E342-R346 PolarHBondContact OE1-NE 2.93Å; E342-R346 IonicContact OE1-NH2 2.65Å; E342-R346 PolarHBondContact OE1-NH2 3.23Å |
| 343 | S | 93 | Very high | 96.4 | Very high | 58 Ų | 58 | 94 Ų | 94 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -30.5 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | A339 R340 T347 | A339-S343 WeakPolarHBondContact O-CB 3.28Å; A339-S343 PolarHBondContact O-N 3.25Å; A339-S343 PolarHBondContact O-OG 2.89Å; R340-S343 PolarHBondContact O-OG 2.85Å; S343-T347 WeakPolarHBondContact O-CB 3.48Å; S343-T347 PolarHBondContact O-N 3.22Å; S343-T347 PolarHBondContact O-OG1 3.07Å |
| 344 | Q | 97.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 93 Ų | 93 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 169 | -79.2 | 174.2 | 99.7 | 0 | 0 | 112 | R340 L341 E342 T347 Q348 | R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 VanDerWaalsContact O-CG 3.25Å; R340-Q344 WeakPolarHBondContact O-CG 3.48Å; R340-Q344 PolarHBondContact O-N 3.02Å; R340-Q344 PolarHBondContact O-NE2 2.95Å; L341-Q344 PolarHBondContact O-N 3.09Å; E342-Q344 VanDerWaalsContact C-N 3.29Å; E342-Q344 PolarHBondContact O-N 2.89Å; Q344-T347 WeakPolarHBondContact O-CB 3.36Å; Q344-T347 PolarHBondContact O-N 3.41Å; Q344-Q348 WeakPolarHBondContact O-CG 3.34Å; Q344-Q348 PolarHBondContact O-N 2.79Å |
| 345 | S | 96.6 | Very high | 96.4 | Very high | 55 Ų | 55 | 95 Ų | 95 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -51.3 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | L341 E342 T347 Q348 Q349 | L341-S345 PolarHBondContact O-N 2.98Å; E342-S345 WeakPolarHBondContact O-CB 3.41Å; E342-S345 PolarHBondContact O-N 2.85Å; E342-S345 VanDerWaalsContact O-N 3.09Å; S345-T347 PolarHBondContact O-N 2.91Å; S345-Q348 PolarHBondContact O-N 3.22Å; S345-Q349 WeakPolarHBondContact O-CG 3.44Å; S345-Q349 PolarHBondContact O-N 2.6Å |
| 346 | R | 96.8 | Very high | 96.5 | Very high | 143 Ų | 143 | 95.6 Ų | 95.6 | 54% | 0.54 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.2 | -39.5 | 174 | -67.5 | 174.1 | -179.4 | -163.4 | -2.6 | 112 | E342 L350 | E342-R346 WeakPolarHBondContact O-CG 3.42Å; E342-R346 PolarHBondContact O-N 3.03Å; E342-R346 IonicContact OE1-CZ 3.11Å; E342-R346 IonicContact OE1-NE 3.06Å; E342-R346 PolarHBondContact OE1-NE 2.93Å; E342-R346 IonicContact OE1-NH2 2.65Å; E342-R346 PolarHBondContact OE1-NH2 3.23Å; R346-L350 WeakPolarHBondContact O-CG 3.5Å; R346-L350 PolarHBondContact O-N 3.44Å; R346-L350 VanDerWaalsContact O-N 3.07Å |
| 347 | T | 96 | Very high | 96.6 | Very high | 79 Ų | 79 | 95.8 Ų | 95.8 | 49% | 0.485 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 175.8 | -57 | 0 | 0 | 0 | 0 | 112.2 | S343 Q344 S345 L350 L351 | S343-T347 WeakPolarHBondContact O-CB 3.48Å; S343-T347 PolarHBondContact O-N 3.22Å; S343-T347 PolarHBondContact O-OG1 3.07Å; Q344-T347 WeakPolarHBondContact O-CB 3.36Å; Q344-T347 PolarHBondContact O-N 3.41Å; S345-T347 PolarHBondContact O-N 2.91Å; T347-L350 PolarHBondContact O-N 2.84Å; T347-L351 HydrophobicContact CG2-CD1 4.26Å; T347-L351 VanDerWaalsContact O-CG 3.31Å; T347-L351 WeakPolarHBondContact O-CG 3.48Å; T347-L351 PolarHBondContact O-N 3.44Å |
| 348 | Q | 97.9 | Very high | 96.6 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 176.3 | -74.2 | 179.5 | -8.9 | 0 | 0 | 111.8 | Q344 S345 L350 L351 M352 | Q344-Q348 WeakPolarHBondContact O-CG 3.34Å; Q344-Q348 PolarHBondContact O-N 2.79Å; S345-Q348 PolarHBondContact O-N 3.22Å; Q348-L350 PolarHBondContact O-N 2.86Å; Q348-L351 PolarHBondContact O-N 3.07Å; Q348-M352 WeakPolarHBondContact O-CG 3.3Å; Q348-M352 PolarHBondContact O-N 3.38Å |
| 349 | Q | 97.5 | Very high | 96.5 | Very high | 123 Ų | 123 | 98.7 Ų | 98.7 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56 | -50 | 172.8 | -71.3 | 169.5 | -24.2 | 0 | 0 | 111.1 | S345 L351 M352 A353 | S345-Q349 WeakPolarHBondContact O-CG 3.44Å; S345-Q349 PolarHBondContact O-N 2.6Å; Q349-L351 VanDerWaalsContact C-N 3.32Å; Q349-L351 PolarHBondContact O-N 3.23Å; Q349-M352 PolarHBondContact O-N 3.23Å; Q349-A353 WeakPolarHBondContact O-CB 2.99Å; Q349-A353 PolarHBondContact O-N 3.46Å |
| 350 | L | 96.9 | Very high | 96.6 | Very high | 114 Ų | 114 | 101.7 Ų | 101.7 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.7 | -38.9 | 175.6 | -74.9 | 173.7 | 0 | 0 | 0 | 112.8 | R346 T347 Q348 N354 | R346-L350 WeakPolarHBondContact O-CG 3.5Å; R346-L350 PolarHBondContact O-N 3.44Å; R346-L350 VanDerWaalsContact O-N 3.07Å; T347-L350 PolarHBondContact O-N 2.84Å; Q348-L350 PolarHBondContact O-N 2.86Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 3.21Å; L350-N354 PolarHBondContact O-ND2 3.35Å |
| 351 | L | 97.5 | Very high | 96.5 | Very high | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.5 | -37.2 | 176.5 | -73.2 | 171 | 0 | 0 | 0 | 112.5 | T347 Q348 Q349 K355 | T347-L351 HydrophobicContact CG2-CD1 4.26Å; T347-L351 VanDerWaalsContact O-CG 3.31Å; T347-L351 WeakPolarHBondContact O-CG 3.48Å; T347-L351 PolarHBondContact O-N 3.44Å; Q348-L351 PolarHBondContact O-N 3.07Å; Q349-L351 VanDerWaalsContact C-N 3.32Å; Q349-L351 PolarHBondContact O-N 3.23Å; L351-K355 WeakPolarHBondContact O-CB 3.43Å; L351-K355 PolarHBondContact O-N 3.29Å |
| 352 | M | 95.7 | Very high | 96.5 | Very high | 129 Ų | 129 | 100 Ų | 100 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.7 | -43 | 175.5 | -66.1 | -58.9 | 176.6 | 0 | 0 | 111.8 | Q348 Q349 N354 K355 E356 | Q348-M352 WeakPolarHBondContact O-CG 3.3Å; Q348-M352 PolarHBondContact O-N 3.38Å; Q349-M352 PolarHBondContact O-N 3.23Å; M352-N354 VanDerWaalsContact C-N 3.34Å; M352-N354 PolarHBondContact O-N 2.96Å; M352-K355 WeakPolarHBondContact O-CB 3.39Å; M352-K355 PolarHBondContact O-N 2.92Å; M352-K355 VanDerWaalsContact O-N 3.15Å; M352-K355 HydrophobicContact SD-CD 4.46Å; M352-E356 PolarHBondContact O-N 3.05Å |
| 353 | A | 96.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q349 E356 L357 | Q349-A353 WeakPolarHBondContact O-CB 2.99Å; Q349-A353 PolarHBondContact O-N 3.46Å; A353-E356 PolarHBondContact O-N 2.94Å; A353-L357 WeakPolarHBondContact O-CB 3.39Å; A353-L357 PolarHBondContact O-N 3.3Å |
| 354 | N | 95.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 101 Ų | 101 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 173 | -81.7 | -67.1 | 0 | 0 | 0 | 112.5 | L350 M352 I358 | L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 3.21Å; L350-N354 PolarHBondContact O-ND2 3.35Å; M352-N354 VanDerWaalsContact C-N 3.34Å; M352-N354 PolarHBondContact O-N 2.96Å; N354-I358 WeakPolarHBondContact O-CD1 3.4Å; N354-I358 VanDerWaalsContact O-CG1 3.24Å; N354-I358 WeakPolarHBondContact O-CG1 3.37Å; N354-I358 PolarHBondContact O-N 3.2Å; N354-I358 VanDerWaalsContact O-N 3.07Å |
| 355 | K | 97.2 | Very high | 96.4 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 174.2 | 177.4 | -178.6 | 176.6 | -65.5 | 0 | 111.1 | L351 M352 I358 E359 | L351-K355 WeakPolarHBondContact O-CB 3.43Å; L351-K355 PolarHBondContact O-N 3.29Å; M352-K355 WeakPolarHBondContact O-CB 3.39Å; M352-K355 PolarHBondContact O-N 2.92Å; M352-K355 VanDerWaalsContact O-N 3.15Å; M352-K355 HydrophobicContact SD-CD 4.46Å; K355-I358 PolarHBondContact O-N 2.97Å; K355-E359 WeakPolarHBondContact CE-OE1 3.3Å; K355-E359 WeakPolarHBondContact CG-OE1 3.33Å; K355-E359 IonicContact NZ-OE1 2.62Å; K355-E359 PolarHBondContact NZ-OE1 3.45Å; K355-E359 IonicContact NZ-OE2 3.53Å; K355-E359 PolarHBondContact O-N 3.02Å |
| 356 | E | 97.2 | Very high | 96.2 | Very high | 108 Ų | 108 | 98.9 Ų | 98.9 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 177.7 | -163 | -162.1 | 146.9 | 0 | 0 | 111.4 | M352 A353 I358 E359 Q360 | M352-E356 PolarHBondContact O-N 3.05Å; A353-E356 PolarHBondContact O-N 2.94Å; E356-I358 VanDerWaalsContact C-N 3.28Å; E356-I358 PolarHBondContact O-N 2.64Å; E356-E359 CarbonylContact O-C 3.59Å; E356-E359 WeakPolarHBondContact O-CA 3.32Å; E356-E359 WeakPolarHBondContact O-CB 3.35Å; E356-E359 PolarHBondContact O-N 2.93Å; E356-Q360 WeakPolarHBondContact O-CG 3.35Å; E356-Q360 PolarHBondContact O-N 3.47Å; E356-Q360 PolarHBondContact OE1-NE2 2.89Å |
| 357 | L | 97.2 | Very high | 96 | Very high | 92 Ų | 92 | 100.2 Ų | 100.2 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 176.8 | -178.6 | 61.8 | 0 | 0 | 0 | 112.2 | A353 V361 | A353-L357 WeakPolarHBondContact O-CB 3.39Å; A353-L357 PolarHBondContact O-N 3.3Å; L357-V361 HydrophobicContact CD1-CG2 4.49Å; L357-V361 WeakPolarHBondContact O-CB 3.35Å; L357-V361 VanDerWaalsContact O-CG2 3.25Å; L357-V361 WeakPolarHBondContact O-CG2 3.39Å; L357-V361 PolarHBondContact O-N 3.2Å |
| 358 | I | 96.6 | Very high | 95.8 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 174.8 | -70 | 164.8 | 0 | 0 | 0 | 111.2 | N354 K355 E356 V361 H362 | N354-I358 WeakPolarHBondContact O-CD1 3.4Å; N354-I358 VanDerWaalsContact O-CG1 3.24Å; N354-I358 WeakPolarHBondContact O-CG1 3.37Å; N354-I358 PolarHBondContact O-N 3.2Å; N354-I358 VanDerWaalsContact O-N 3.07Å; K355-I358 PolarHBondContact O-N 2.97Å; E356-I358 VanDerWaalsContact C-N 3.28Å; E356-I358 PolarHBondContact O-N 2.64Å; I358-V361 PolarHBondContact O-N 3.38Å; I358-H362 WeakPolarHBondContact O-CB 3.41Å; I358-H362 PolarHBondContact O-N 2.91Å |
| 359 | E | 95.7 | Very high | 95.4 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 175.8 | -74.1 | 168.6 | -167.4 | 0 | 0 | 112.1 | K355 E356 H362 S363 | K355-E359 WeakPolarHBondContact CE-OE1 3.3Å; K355-E359 WeakPolarHBondContact CG-OE1 3.33Å; K355-E359 IonicContact NZ-OE1 2.62Å; K355-E359 PolarHBondContact NZ-OE1 3.45Å; K355-E359 IonicContact NZ-OE2 3.53Å; K355-E359 PolarHBondContact O-N 3.02Å; E356-E359 CarbonylContact O-C 3.59Å; E356-E359 WeakPolarHBondContact O-CA 3.32Å; E356-E359 WeakPolarHBondContact O-CB 3.35Å; E356-E359 PolarHBondContact O-N 2.93Å; E359-H362 PolarHBondContact O-N 2.98Å; E359-S363 WeakPolarHBondContact O-CB 3.45Å; E359-S363 PolarHBondContact O-N 2.93Å |
| 360 | Q | 96.6 | Very high | 94.9 | Very high | 106 Ų | 106 | 100.7 Ų | 100.7 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 171.8 | -68.4 | 178.4 | 13.8 | 0 | 0 | 111.3 | E356 S363 L364 | E356-Q360 WeakPolarHBondContact O-CG 3.35Å; E356-Q360 PolarHBondContact O-N 3.47Å; E356-Q360 PolarHBondContact OE1-NE2 2.89Å; Q360-S363 WeakPolarHBondContact O-CB 3.27Å; Q360-S363 PolarHBondContact O-N 3.49Å; Q360-L364 WeakPolarHBondContact O-CB 3.24Å; Q360-L364 PolarHBondContact O-N 3Å |
| 361 | V | 96.3 | Very high | 94.4 | Very high | 76 Ų | 76 | 98.6 Ų | 98.6 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.1 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | L357 I358 L364 V365 | L357-V361 HydrophobicContact CD1-CG2 4.49Å; L357-V361 WeakPolarHBondContact O-CB 3.35Å; L357-V361 VanDerWaalsContact O-CG2 3.25Å; L357-V361 WeakPolarHBondContact O-CG2 3.39Å; L357-V361 PolarHBondContact O-N 3.2Å; I358-V361 PolarHBondContact O-N 3.38Å; V361-L364 PolarHBondContact O-N 3.41Å; V361-V365 HydrophobicContact CG1-CG2 4.39Å; V361-V365 WeakPolarHBondContact O-CG2 3.33Å; V361-V365 PolarHBondContact O-N 2.76Å |
| 362 | H | 96 | Very high | 93.8 | Very high | 131 Ų | 131 | 99.2 Ų | 99.2 | 61% | 0.606 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 176.3 | -174.9 | -92.7 | 0 | 0 | 0 | 112.1 | I358 E359 V365 S366 | I358-H362 WeakPolarHBondContact O-CB 3.41Å; I358-H362 PolarHBondContact O-N 2.91Å; E359-H362 PolarHBondContact O-N 2.98Å; H362-V365 PolarHBondContact O-N 3Å; H362-S366 WeakPolarHBondContact O-CB 3.49Å; H362-S366 PolarHBondContact O-N 3.4Å; H362-S366 PolarHBondContact O-OG 3.14Å |
| 363 | S | 93.7 | Very high | 93 | Very high | 78 Ų | 78 | 97.9 Ų | 97.9 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | E359 Q360 S366 R367 | E359-S363 WeakPolarHBondContact O-CB 3.45Å; E359-S363 PolarHBondContact O-N 2.93Å; Q360-S363 WeakPolarHBondContact O-CB 3.27Å; Q360-S363 PolarHBondContact O-N 3.49Å; S363-S366 PolarHBondContact O-N 3.05Å; S363-R367 WeakPolarHBondContact O-CB 3.4Å; S363-R367 PolarHBondContact O-N 3.18Å |
| 364 | L | 94.9 | Very high | 92.1 | Very high | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 176.2 | -178.3 | 60.5 | 0 | 0 | 0 | 112.2 | Q360 V361 R367 L368 | Q360-L364 WeakPolarHBondContact O-CB 3.24Å; Q360-L364 PolarHBondContact O-N 3Å; V361-L364 PolarHBondContact O-N 3.41Å; L364-R367 PolarHBondContact O-N 2.93Å; L364-L368 HydrophobicContact CG-CD1 4.27Å; L364-L368 WeakPolarHBondContact O-CG 3.41Å; L364-L368 PolarHBondContact O-N 3.13Å |
| 365 | V | 95.5 | Very high | 91.2 | Very high | 61 Ų | 61 | 102.8 Ų | 102.8 | 37% | 0.37 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.9 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | V361 H362 R367 L368 Q369 | V361-V365 HydrophobicContact CG1-CG2 4.39Å; V361-V365 WeakPolarHBondContact O-CG2 3.33Å; V361-V365 PolarHBondContact O-N 2.76Å; H362-V365 PolarHBondContact O-N 3Å; V365-R367 VanDerWaalsContact C-N 3.33Å; V365-R367 PolarHBondContact O-N 3.5Å; V365-L368 PolarHBondContact O-N 3.04Å; V365-Q369 HydrophobicContact CG1-CG 4.5Å; V365-Q369 WeakPolarHBondContact O-CG 3.41Å; V365-Q369 PolarHBondContact O-N 3.39Å |
| 366 | S | 92.6 | Very high | 89.8 | Confident | 46 Ų | 46 | 102.3 Ų | 102.3 | 32% | 0.322 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | H362 S363 Q369 M370 | H362-S366 WeakPolarHBondContact O-CB 3.49Å; H362-S366 PolarHBondContact O-N 3.4Å; H362-S366 PolarHBondContact O-OG 3.14Å; S363-S366 PolarHBondContact O-N 3.05Å; S366-Q369 PolarHBondContact O-N 3.14Å; S366-M370 WeakPolarHBondContact O-CB 3.43Å; S366-M370 PolarHBondContact O-N 3.12Å |
| 367 | R | 92.9 | Very high | 88.1 | Confident | 171 Ų | 171 | 100.1 Ų | 100.1 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 174.6 | -176.6 | 177.3 | 178.3 | 172.5 | -0.2 | 112.1 | S363 L364 V365 M370 L371 | S363-R367 WeakPolarHBondContact O-CB 3.4Å; S363-R367 PolarHBondContact O-N 3.18Å; L364-R367 PolarHBondContact O-N 2.93Å; V365-R367 VanDerWaalsContact C-N 3.33Å; V365-R367 PolarHBondContact O-N 3.5Å; R367-M370 PolarHBondContact O-N 3.11Å; R367-L371 HydrophobicContact CG-CD1 4.31Å; R367-L371 WeakPolarHBondContact O-CG 3.37Å; R367-L371 PolarHBondContact O-N 3.03Å |
| 368 | L | 91.4 | Very high | 86.3 | Confident | 99 Ų | 99 | 98.3 Ų | 98.3 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 175.4 | -74 | 169.3 | 0 | 0 | 0 | 111.4 | L364 V365 M370 L371 E372 | L364-L368 HydrophobicContact CG-CD1 4.27Å; L364-L368 WeakPolarHBondContact O-CG 3.41Å; L364-L368 PolarHBondContact O-N 3.13Å; V365-L368 PolarHBondContact O-N 3.04Å; L368-M370 VanDerWaalsContact C-N 3.29Å; L368-M370 PolarHBondContact O-N 2.78Å; L368-L371 CarbonylContact O-C 3.58Å; L368-L371 WeakPolarHBondContact O-CA 3.38Å; L368-L371 WeakPolarHBondContact O-CB 3.42Å; L368-L371 PolarHBondContact O-N 3.01Å; L368-E372 WeakPolarHBondContact O-CB 3.39Å; L368-E372 PolarHBondContact O-N 3.25Å |
| 369 | Q | 89.5 | Confident | 84 | Confident | 110 Ų | 110 | 95.9 Ų | 95.9 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 174.5 | -72 | 174.7 | -6.6 | 0 | 0 | 112.2 | V365 S366 L371 T373 | V365-Q369 HydrophobicContact CG1-CG 4.5Å; V365-Q369 WeakPolarHBondContact O-CG 3.41Å; V365-Q369 PolarHBondContact O-N 3.39Å; S366-Q369 PolarHBondContact O-N 3.14Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; Q369-T373 VanDerWaalsContact O-CB 3.3Å; Q369-T373 WeakPolarHBondContact O-CB 3.34Å; Q369-T373 PolarHBondContact O-N 3.3Å; Q369-T373 PolarHBondContact O-OG1 2.94Å |
| 370 | M | 86 | Confident | 81.9 | Confident | 112 Ų | 112 | 97 Ų | 97 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.3 | -27.9 | 174 | -169.1 | -161.2 | -67.7 | 0 | 0 | 113 | S366 R367 L368 R374 | S366-M370 WeakPolarHBondContact O-CB 3.43Å; S366-M370 PolarHBondContact O-N 3.12Å; R367-M370 PolarHBondContact O-N 3.11Å; L368-M370 VanDerWaalsContact C-N 3.29Å; L368-M370 PolarHBondContact O-N 2.78Å; M370-R374 WeakPolarHBondContact O-CG 3.39Å; M370-R374 PolarHBondContact O-N 2.82Å; M370-R374 PolarHBondContact O-NE 3.29Å |
| 371 | L | 87.5 | Confident | 79.8 | Confident | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.366 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -78 | -46 | 173.1 | -74 | 164.7 | 0 | 0 | 0 | 110.9 | R367 L368 Q369 T373 R374 I375 | R367-L371 HydrophobicContact CG-CD1 4.31Å; R367-L371 WeakPolarHBondContact O-CG 3.37Å; R367-L371 PolarHBondContact O-N 3.03Å; L368-L371 CarbonylContact O-C 3.58Å; L368-L371 WeakPolarHBondContact O-CA 3.38Å; L368-L371 WeakPolarHBondContact O-CB 3.42Å; L368-L371 PolarHBondContact O-N 3.01Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; L371-T373 PolarHBondContact O-N 2.93Å; L371-R374 PolarHBondContact O-N 3.42Å; L371-R374 VanDerWaalsContact O-N 3.12Å; L371-I375 VanDerWaalsContact O-CG1 3.3Å; L371-I375 WeakPolarHBondContact O-CG1 3.35Å; L371-I375 PolarHBondContact O-N 3.15Å |
| 372 | E | 83.9 | Confident | 78 | Confident | 124 Ų | 124 | 98.1 Ų | 98.1 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.2 | -49.7 | 174.5 | -176.6 | 177.3 | -162.8 | 0 | 0 | 111.3 | L368 R374 I375 V376 | L368-E372 WeakPolarHBondContact O-CB 3.39Å; L368-E372 PolarHBondContact O-N 3.25Å; E372-R374 VanDerWaalsContact C-N 3.26Å; E372-R374 PolarHBondContact O-N 3.07Å; E372-I375 PolarHBondContact O-N 3.44Å; E372-I375 VanDerWaalsContact O-N 3.11Å; E372-V376 HydrophobicContact CG-CG2 4.47Å; E372-V376 WeakPolarHBondContact O-CG2 3.41Å; E372-V376 PolarHBondContact O-N 3.12Å |
| 373 | T | 79.7 | Confident | 76.1 | Confident | 101 Ų | 101 | 97.6 Ų | 97.6 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.5 | -36.2 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | Q369 L371 G377 | Q369-T373 VanDerWaalsContact O-CB 3.3Å; Q369-T373 WeakPolarHBondContact O-CB 3.34Å; Q369-T373 PolarHBondContact O-N 3.3Å; Q369-T373 PolarHBondContact O-OG1 2.94Å; L371-T373 PolarHBondContact O-N 2.93Å; T373-G377 WeakPolarHBondContact O-CA 3.49Å; T373-G377 PolarHBondContact O-N 3.3Å |
| 374 | R | 78.2 | Confident | 74.5 | Confident | 141 Ų | 141 | 96.3 Ų | 96.3 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.4 | -35.7 | 175.3 | -80 | -177.8 | -72 | -177.7 | -4 | 113 | M370 L371 E372 A378 | M370-R374 WeakPolarHBondContact O-CG 3.39Å; M370-R374 PolarHBondContact O-N 2.82Å; M370-R374 PolarHBondContact O-NE 3.29Å; L371-R374 PolarHBondContact O-N 3.42Å; L371-R374 VanDerWaalsContact O-N 3.12Å; E372-R374 VanDerWaalsContact C-N 3.26Å; E372-R374 PolarHBondContact O-N 3.07Å; R374-A378 WeakPolarHBondContact O-CB 3.25Å; R374-A378 PolarHBondContact O-N 3.01Å |
| 375 | I | 75.5 | Confident | 72.8 | Confident | 102 Ų | 102 | 95.3 Ų | 95.3 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -48.9 | 177 | -69.4 | 162.7 | 0 | 0 | 0 | 110.2 | L371 E372 G377 A378 S379 | L371-I375 VanDerWaalsContact O-CG1 3.3Å; L371-I375 WeakPolarHBondContact O-CG1 3.35Å; L371-I375 PolarHBondContact O-N 3.15Å; E372-I375 PolarHBondContact O-N 3.44Å; E372-I375 VanDerWaalsContact O-N 3.11Å; I375-G377 VanDerWaalsContact C-N 3.33Å; I375-G377 PolarHBondContact O-N 3.43Å; I375-A378 PolarHBondContact O-N 2.89Å; I375-S379 WeakPolarHBondContact O-CB 3.5Å; I375-S379 PolarHBondContact O-N 3.3Å; I375-S379 VanDerWaalsContact O-N 3.11Å |
| 376 | V | 69.2 | Low | 71.2 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 61% | 0.606 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.1 | -33.4 | 177 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | E372 S379 | E372-V376 HydrophobicContact CG-CG2 4.47Å; E372-V376 WeakPolarHBondContact O-CG2 3.41Å; E372-V376 PolarHBondContact O-N 3.12Å; V376-S379 PolarHBondContact O-OG 2.88Å; V376-S379 VanDerWaalsContact O-OG 3.06Å |
| 377 | G | 61.4 | Low | 69.8 | Low | 62 Ų | 62 | 99.7 Ų | 99.7 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.5 | -28 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T373 I375 | T373-G377 WeakPolarHBondContact O-CA 3.49Å; T373-G377 PolarHBondContact O-N 3.3Å; I375-G377 VanDerWaalsContact C-N 3.33Å; I375-G377 PolarHBondContact O-N 3.43Å |
| 378 | A | 58.1 | Low | 68.4 | Low | 53 Ų | 53 | 96.3 Ų | 96.3 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -91.6 | -9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | R374 I375 T380 | R374-A378 WeakPolarHBondContact O-CB 3.25Å; R374-A378 PolarHBondContact O-N 3.01Å; I375-A378 PolarHBondContact O-N 2.89Å; A378-T380 PolarHBondContact O-N 3.34Å |
| 379 | S | 49.1 | Very low | 67.4 | Low | 68 Ų | 68 | 95.8 Ų | 95.8 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 48.3 | -174.6 | 67 | 0 | 0 | 0 | 0 | 114.4 | I375 V376 | I375-S379 WeakPolarHBondContact O-CB 3.5Å; I375-S379 PolarHBondContact O-N 3.3Å; I375-S379 VanDerWaalsContact O-N 3.11Å; V376-S379 PolarHBondContact O-OG 2.88Å; V376-S379 VanDerWaalsContact O-OG 3.06Å |
| 380 | T | 52.3 | Low | 66.4 | Low | 125 Ų | 125 | 94.8 Ų | 94.8 | 77% | 0.767 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -5.3 | 164.4 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | A378 | A378-T380 PolarHBondContact O-N 3.34Š|
| 381 | N | 51.6 | Low | 65.7 | Low | 102 Ų | 102 | 94.1 Ų | 94.1 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -94 | 126.6 | 175.4 | -79.7 | -75.9 | 0 | 0 | 0 | 111.9 | N383 I384 | N381-N383 PolarHBondContact O-N 3.5Å; N381-N383 VanDerWaalsContact O-N 3.09Å; N381-I384 HydrophobicContact CB-CD1 4.23Å |
| 382 | P | 58.4 | Low | 64.9 | Low | 105 Ų | 105 | 97 Ų | 97 | 68% | 0.682 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -5.3 | -173.1 | 28.8 | -36.3 | 0 | 0 | 0 | 115.2 | P385 | P382-P385 WeakPolarHBondContact O-CD 3.34Š|
| 383 | N | 57.6 | Low | 64.3 | Low | 119 Ų | 119 | 94.4 Ų | 94.4 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -8.9 | -174.4 | -60.9 | -32.4 | 0 | 0 | 0 | 114.3 | N381 | N381-N383 PolarHBondContact O-N 3.5Å; N381-N383 VanDerWaalsContact O-N 3.09Å |
| 384 | I | 58.4 | Low | 63.9 | Low | 52 Ų | 52 | 94.4 Ų | 94.4 | 27% | 0.267 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | -176.9 | -65.5 | 165 | 0 | 0 | 0 | 114.8 | N381 T386 L387 L388 | N381-I384 HydrophobicContact CB-CD1 4.23Å; I384-T386 VanDerWaalsContact C-N 3.28Å; I384-T386 PolarHBondContact O-N 3.2Å; I384-L387 PolarHBondContact O-N 3.33Å; I384-L388 HydrophobicContact CG2-CD1 4.04Å; I384-L388 HydrophobicContact CG2-CG 4.48Å; I384-L388 PolarHBondContact O-N 2.92Å; I384-L388 VanDerWaalsContact O-N 3.08Å |
| 385 | P | 60.1 | Low | 63.5 | Low | 78 Ų | 78 | 93.1 Ų | 93.1 | 51% | 0.506 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.6 | -35.3 | -177.7 | 23 | -33.5 | 0 | 0 | 0 | 112.7 | P382 L387 L388 V389 | P382-P385 WeakPolarHBondContact O-CD 3.34Å; P385-L387 PolarHBondContact O-N 3.34Å; P385-L388 PolarHBondContact O-N 3.46Å; P385-V389 WeakPolarHBondContact O-CG2 3.34Å; P385-V389 PolarHBondContact O-N 2.87Å |
| 386 | T | 62.4 | Low | 63.1 | Low | 89 Ų | 89 | 90.9 Ų | 90.9 | 55% | 0.546 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178.2 | -38.7 | 0 | 0 | 0 | 0 | 112.1 | I384 N390 | I384-T386 VanDerWaalsContact C-N 3.28Å; I384-T386 PolarHBondContact O-N 3.2Å; T386-N390 VanDerWaalsContact O-CG 3.26Å; T386-N390 PolarHBondContact O-N 2.88Å |
| 387 | L | 62.6 | Low | 63.1 | Low | 110 Ų | 110 | 90.3 Ų | 90.3 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.8 | -38.8 | 175.7 | -74.1 | 174.4 | 0 | 0 | 0 | 112 | I384 P385 N390 I391 | I384-L387 PolarHBondContact O-N 3.33Å; P385-L387 PolarHBondContact O-N 3.34Å; L387-N390 PolarHBondContact O-N 3.2Å; L387-I391 WeakPolarHBondContact O-CB 3.42Å; L387-I391 WeakPolarHBondContact O-CD1 3.18Å; L387-I391 VanDerWaalsContact O-CG1 3.28Å; L387-I391 WeakPolarHBondContact O-CG1 3.39Å; L387-I391 PolarHBondContact O-N 3.41Å |
| 388 | L | 64.3 | Low | 63.2 | Low | 101 Ų | 101 | 93.1 Ų | 93.1 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.6 | -82.6 | 170 | 0 | 0 | 0 | 112.1 | I384 P385 N390 I391 F392 | I384-L388 HydrophobicContact CG2-CD1 4.04Å; I384-L388 HydrophobicContact CG2-CG 4.48Å; I384-L388 PolarHBondContact O-N 2.92Å; I384-L388 VanDerWaalsContact O-N 3.08Å; P385-L388 PolarHBondContact O-N 3.46Å; L388-N390 PolarHBondContact O-N 3.33Å; L388-I391 PolarHBondContact O-N 3.33Å; L388-F392 VanDerWaalsContact O-CB 3.28Å; L388-F392 WeakPolarHBondContact O-CB 3.34Å; L388-F392 PolarHBondContact O-N 2.86Å |
| 389 | V | 69.3 | Low | 63.5 | Low | 87 Ų | 87 | 99.2 Ų | 99.2 | 53% | 0.527 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 173.9 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | P385 F392 T393 | P385-V389 WeakPolarHBondContact O-CG2 3.34Å; P385-V389 PolarHBondContact O-N 2.87Å; V389-F392 PolarHBondContact O-N 3.3Å; V389-T393 HydrophobicContact CG1-CG2 4.47Å; V389-T393 WeakPolarHBondContact O-CG2 3.47Å; V389-T393 PolarHBondContact O-N 2.94Å; V389-T393 PolarHBondContact O-OG1 3.41Å; V389-T393 VanDerWaalsContact O-OG1 3.08Å |
| 390 | N | 68.1 | Low | 63.7 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 179.3 | -70.6 | -7.7 | 0 | 0 | 0 | 113 | T386 L387 L388 T393 V394 | T386-N390 VanDerWaalsContact O-CG 3.26Å; T386-N390 PolarHBondContact O-N 2.88Å; L387-N390 PolarHBondContact O-N 3.2Å; L388-N390 PolarHBondContact O-N 3.33Å; N390-T393 PolarHBondContact O-OG1 2.97Å; N390-T393 VanDerWaalsContact O-OG1 3.09Å; N390-V394 WeakPolarHBondContact O-CB 3.41Å; N390-V394 VanDerWaalsContact O-CG2 3.25Å; N390-V394 WeakPolarHBondContact O-CG2 3.15Å; N390-V394 PolarHBondContact O-N 3.38Å |
| 391 | I | 72 | Confident | 64 | Low | 99 Ų | 99 | 96.9 Ų | 96.9 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.5 | -70.3 | 163.2 | 0 | 0 | 0 | 110.4 | L387 L388 L395 | L387-I391 WeakPolarHBondContact O-CB 3.42Å; L387-I391 WeakPolarHBondContact O-CD1 3.18Å; L387-I391 VanDerWaalsContact O-CG1 3.28Å; L387-I391 WeakPolarHBondContact O-CG1 3.39Å; L387-I391 PolarHBondContact O-N 3.41Å; L388-I391 PolarHBondContact O-N 3.33Å; I391-L395 HydrophobicContact CG2-CD1 3.88Å; I391-L395 WeakPolarHBondContact O-CB 3.33Å; I391-L395 WeakPolarHBondContact O-CG 3.33Å; I391-L395 PolarHBondContact O-N 2.92Å |
| 392 | F | 70.7 | Confident | 64.1 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.4 | -40.4 | -179.7 | -155.3 | -89.6 | 0 | 0 | 0 | 112 | L388 V389 H396 L421 | L388-F392 VanDerWaalsContact O-CB 3.28Å; L388-F392 WeakPolarHBondContact O-CB 3.34Å; L388-F392 PolarHBondContact O-N 2.86Å; V389-F392 PolarHBondContact O-N 3.3Å; F392-H396 WeakPolarHBondContact O-CB 3.49Å; F392-H396 PolarHBondContact O-N 2.76Å; F392-L421 HydrophobicContact CE1-CD2 4.02Å; F392-L421 HydrophobicContact CZ-CD2 4.4Å |
| 393 | T | 70.9 | Confident | 63.4 | Low | 71 Ų | 71 | 95 Ų | 95 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 174.7 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | V389 N390 H396 V397 | V389-T393 HydrophobicContact CG1-CG2 4.47Å; V389-T393 WeakPolarHBondContact O-CG2 3.47Å; V389-T393 PolarHBondContact O-N 2.94Å; V389-T393 PolarHBondContact O-OG1 3.41Å; V389-T393 VanDerWaalsContact O-OG1 3.08Å; N390-T393 PolarHBondContact O-OG1 2.97Å; N390-T393 VanDerWaalsContact O-OG1 3.09Å; T393-H396 PolarHBondContact O-N 2.92Å; T393-V397 WeakPolarHBondContact O-CB 3.47Å; T393-V397 VanDerWaalsContact O-CG2 3.3Å; T393-V397 WeakPolarHBondContact O-CG2 3.35Å; T393-V397 PolarHBondContact O-N 3.44Å |
| 394 | V | 72.9 | Confident | 63.1 | Low | 100 Ų | 100 | 93.9 Ų | 93.9 | 61% | 0.606 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -47.3 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | N390 H396 V397 H398 | N390-V394 WeakPolarHBondContact O-CB 3.41Å; N390-V394 VanDerWaalsContact O-CG2 3.25Å; N390-V394 WeakPolarHBondContact O-CG2 3.15Å; N390-V394 PolarHBondContact O-N 3.38Å; V394-H396 VanDerWaalsContact C-N 3.33Å; V394-H396 PolarHBondContact O-N 3.42Å; V394-V397 PolarHBondContact O-N 2.81Å; V394-H398 WeakPolarHBondContact O-CB 3.36Å; V394-H398 PolarHBondContact O-N 3.04Å |
| 395 | L | 69.5 | Low | 62.8 | Low | 114 Ų | 114 | 96.5 Ų | 96.5 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -37.5 | 176 | -76.2 | 170.1 | 0 | 0 | 0 | 112.5 | I391 H398 R399 | I391-L395 HydrophobicContact CG2-CD1 3.88Å; I391-L395 WeakPolarHBondContact O-CB 3.33Å; I391-L395 WeakPolarHBondContact O-CG 3.33Å; I391-L395 PolarHBondContact O-N 2.92Å; L395-H398 PolarHBondContact O-N 2.85Å; L395-R399 WeakPolarHBondContact O-CB 3.41Å; L395-R399 PolarHBondContact O-N 3.34Å |
| 396 | H | 66.7 | Low | 62.5 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 26% | 0.259 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.4 | -41.4 | 179.5 | -162.5 | 88 | 0 | 0 | 0 | 112.1 | F392 T393 V394 R399 L400 A418 | F392-H396 WeakPolarHBondContact O-CB 3.49Å; F392-H396 PolarHBondContact O-N 2.76Å; T393-H396 PolarHBondContact O-N 2.92Å; V394-H396 VanDerWaalsContact C-N 3.33Å; V394-H396 PolarHBondContact O-N 3.42Å; H396-R399 PolarHBondContact O-N 2.85Å; H396-L400 WeakPolarHBondContact O-CG 3.36Å; H396-L400 PolarHBondContact O-N 2.62Å; H396-A418 WeakPolarHBondContact NE2-CB 3.49Å |
| 397 | V | 69.4 | Low | 62 | Low | 88 Ų | 88 | 94.8 Ų | 94.8 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 171.2 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | T393 V394 R399 L400 T401 | T393-V397 WeakPolarHBondContact O-CB 3.47Å; T393-V397 VanDerWaalsContact O-CG2 3.3Å; T393-V397 WeakPolarHBondContact O-CG2 3.35Å; T393-V397 PolarHBondContact O-N 3.44Å; V394-V397 PolarHBondContact O-N 2.81Å; V397-R399 VanDerWaalsContact C-N 3.27Å; V397-R399 PolarHBondContact O-N 2.9Å; V397-L400 PolarHBondContact O-N 3.12Å; V397-L400 VanDerWaalsContact O-N 3.14Å; V397-T401 PolarHBondContact O-N 3.08Å; V397-T401 PolarHBondContact O-OG1 2.91Å; V397-T401 VanDerWaalsContact O-OG1 3.08Å |
| 398 | H | 62.9 | Low | 61.7 | Low | 120 Ų | 120 | 94.4 Ų | 94.4 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -35 | 179.5 | -150.7 | -93.8 | 0 | 0 | 0 | 112.3 | V394 L395 I402 | V394-H398 WeakPolarHBondContact O-CB 3.36Å; V394-H398 PolarHBondContact O-N 3.04Å; L395-H398 PolarHBondContact O-N 2.85Å; H398-I402 WeakPolarHBondContact O-CG1 3.3Å; H398-I402 PolarHBondContact O-N 3.14Å; H398-I402 VanDerWaalsContact O-N 3.12Å |
| 399 | R | 64.1 | Low | 61.5 | Low | 181 Ų | 181 | 92.4 Ų | 92.4 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -42.2 | 173.1 | -170.1 | 172.8 | -178.2 | 167 | 0.3 | 112.3 | L395 H396 V397 I402 C403 | L395-R399 WeakPolarHBondContact O-CB 3.41Å; L395-R399 PolarHBondContact O-N 3.34Å; H396-R399 PolarHBondContact O-N 2.85Å; V397-R399 VanDerWaalsContact C-N 3.27Å; V397-R399 PolarHBondContact O-N 2.9Å; R399-I402 PolarHBondContact O-N 2.95Å; R399-C403 WeakPolarHBondContact O-CB 3.46Å; R399-C403 PolarHBondContact O-N 3.32Å; R399-C403 PolarHBondContact O-SG 2.96Å; R399-C403 VanDerWaalsContact O-SG 3.33Å |
| 400 | L | 53.4 | Low | 60.8 | Low | 51 Ų | 51 | 93.7 Ų | 93.7 | 27% | 0.267 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.8 | -73 | 166 | 0 | 0 | 0 | 112 | H396 V397 I402 C403 S404 L411 T414 | H396-L400 WeakPolarHBondContact O-CG 3.36Å; H396-L400 PolarHBondContact O-N 2.62Å; V397-L400 PolarHBondContact O-N 3.12Å; V397-L400 VanDerWaalsContact O-N 3.14Å; L400-I402 VanDerWaalsContact C-N 3.35Å; L400-I402 PolarHBondContact O-N 3.3Å; L400-C403 PolarHBondContact O-N 3.33Å; L400-S404 PolarHBondContact O-N 2.94Å; L400-S404 PolarHBondContact O-OG 2.86Å; L400-L411 HydrophobicContact CD2-CD1 4.27Å; L400-T414 HydrophobicContact CD2-CG2 4.03Å |
| 401 | T | 59.3 | Low | 60.3 | Low | 93 Ų | 93 | 92.9 Ų | 92.9 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | V397 S404 | V397-T401 PolarHBondContact O-N 3.08Å; V397-T401 PolarHBondContact O-OG1 2.91Å; V397-T401 VanDerWaalsContact O-OG1 3.08Å; T401-S404 WeakPolarHBondContact O-CB 3.39Å; T401-S404 PolarHBondContact O-N 3.5Å; T401-S404 PolarHBondContact O-OG 2.9Å |
| 402 | I | 54 | Low | 60.1 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.2 | -35.9 | 178.7 | -67.2 | 166.9 | 0 | 0 | 0 | 111.8 | H398 R399 L400 S404 S405 | H398-I402 WeakPolarHBondContact O-CG1 3.3Å; H398-I402 PolarHBondContact O-N 3.14Å; H398-I402 VanDerWaalsContact O-N 3.12Å; R399-I402 PolarHBondContact O-N 2.95Å; L400-I402 VanDerWaalsContact C-N 3.35Å; L400-I402 PolarHBondContact O-N 3.3Å; I402-S404 PolarHBondContact O-N 3.47Å; I402-S405 PolarHBondContact O-OG 3.5Å |
| 403 | C | 43.3 | Very low | 60.2 | Low | 56 Ų | 56 | 90.8 Ų | 90.8 | 38% | 0.378 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -75.7 | -5.3 | 178.1 | -69.9 | 0 | 0 | 0 | 0 | 114.4 | R399 L400 S405 S406 | R399-C403 WeakPolarHBondContact O-CB 3.46Å; R399-C403 PolarHBondContact O-N 3.32Å; R399-C403 PolarHBondContact O-SG 2.96Å; R399-C403 VanDerWaalsContact O-SG 3.33Å; L400-C403 PolarHBondContact O-N 3.33Å; C403-S405 PolarHBondContact O-N 3.28Å; C403-S406 PolarHBondContact O-N 2.89Å; C403-S406 VanDerWaalsContact O-N 3.14Å |
| 404 | S | 51.6 | Low | 60.1 | Low | 96 Ų | 96 | 89.8 Ų | 89.8 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.7 | -177.1 | -65.5 | 0 | 0 | 0 | 0 | 114.7 | L400 T401 I402 | L400-S404 PolarHBondContact O-N 2.94Å; L400-S404 PolarHBondContact O-OG 2.86Å; T401-S404 WeakPolarHBondContact O-CB 3.39Å; T401-S404 PolarHBondContact O-N 3.5Å; T401-S404 PolarHBondContact O-OG 2.9Å; I402-S404 PolarHBondContact O-N 3.47Å |
| 405 | S | 50.8 | Low | 60.2 | Low | 108 Ų | 108 | 88.6 Ų | 88.6 | 76% | 0.755 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -3.6 | 177.7 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | I402 C403 | I402-S405 PolarHBondContact O-OG 3.5Å; C403-S405 PolarHBondContact O-N 3.28Å |
| 406 | S | 53.5 | Low | 60.4 | Low | 65 Ų | 65 | 89.1 Ų | 89.1 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -124.3 | 120.7 | -172 | -69.4 | 0 | 0 | 0 | 0 | 113.4 | C403 | C403-S406 PolarHBondContact O-N 2.89Å; C403-S406 VanDerWaalsContact O-N 3.14Å |
| 407 | N | 53.8 | Low | 60.8 | Low | 66 Ų | 66 | 94.4 Ų | 94.4 | 35% | 0.353 | 51% | 0.512 | S | S | . | . | | | trans | 43.2 | 100.8 | 156 | -54 | -33.7 | 0 | 0 | 0 | 117.4 | R59 S409 E410 | R59-N407 PolarHBondContact NH1-OD1 3.26Å; N407-S409 PolarHBondContact O-N 2.86Å; N407-E410 PolarHBondContact O-N 3.31Å |
| 408 | S | 54.5 | Low | 60.9 | Low | 102 Ų | 102 | 91.2 Ų | 91.2 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.4 | -24.1 | -175.8 | -165.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 409 | S | 60.3 | Low | 61.5 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.7 | -27.7 | 177.8 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | N407 | N407-S409 PolarHBondContact O-N 2.86Å |
| 410 | E | 55.3 | Low | 61.9 | Low | 113 Ų | 113 | 81.9 Ų | 81.9 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78.2 | -28.2 | 178.9 | -156.4 | 168.5 | -169.2 | 0 | 0 | 111.6 | N407 T414 | N407-E410 PolarHBondContact O-N 3.31Å; E410-T414 WeakPolarHBondContact O-CB 3.42Å; E410-T414 PolarHBondContact O-N 3.28Å; E410-T414 VanDerWaalsContact O-N 3.11Å; E410-T414 PolarHBondContact O-OG1 3.11Å |
| 411 | L | 58.1 | Low | 62.9 | Low | 73 Ų | 73 | 83.3 Ų | 83.3 | 38% | 0.382 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 171.7 | -165.2 | 72 | 0 | 0 | 0 | 111.5 | L400 I413 T414 T415 | L400-L411 HydrophobicContact CD2-CD1 4.27Å; L411-I413 PolarHBondContact O-N 2.92Å; L411-T414 CarbonylContact O-C 3.58Å; L411-T414 PolarHBondContact O-N 3.07Å; L411-T414 VanDerWaalsContact O-N 3.14Å; L411-T415 WeakPolarHBondContact O-CB 3.38Å; L411-T415 PolarHBondContact O-N 3.4Å; L411-T415 PolarHBondContact O-OG1 2.99Å; L411-T415 VanDerWaalsContact O-OG1 3.12Å |
| 412 | D | 67 | Low | 63.6 | Low | 78 Ų | 78 | 82.2 Ų | 82.2 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | -179.7 | 176.6 | 40.6 | 0 | 0 | 0 | 112.5 | K416 | D412-K416 WeakPolarHBondContact O-CB 3.38Å; D412-K416 WeakPolarHBondContact O-CD 3.44Å; D412-K416 VanDerWaalsContact O-CG 3.27Å; D412-K416 WeakPolarHBondContact O-CG 3.42Å; D412-K416 PolarHBondContact O-N 3.33Å; D412-K416 WeakPolarHBondContact OD1-CD 3.41Å; D412-K416 WeakPolarHBondContact OD1-CE 3.4Å; D412-K416 IonicContact OD1-NZ 2.93Å; D412-K416 PolarHBondContact OD1-NZ 2.87Å; D412-K416 IonicContact OD2-NZ 2.64Å; D412-K416 PolarHBondContact OD2-NZ 3.27Å |
| 413 | I | 73.8 | Confident | 64.4 | Low | 106 Ų | 106 | 79 Ų | 79 | 54% | 0.544 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 173.1 | -60.6 | 174.5 | 0 | 0 | 0 | 110.6 | L411 K416 Y417 | L411-I413 PolarHBondContact O-N 2.92Å; I413-K416 PolarHBondContact O-N 3.27Å; I413-Y417 HydrophobicContact CG2-CD2 4.4Å; I413-Y417 PolarHBondContact O-N 2.89Å |
| 414 | T | 68.6 | Low | 65.8 | Low | 50 Ų | 50 | 81.9 Ų | 81.9 | 31% | 0.307 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | L400 E410 L411 Y417 A418 | L400-T414 HydrophobicContact CD2-CG2 4.03Å; E410-T414 WeakPolarHBondContact O-CB 3.42Å; E410-T414 PolarHBondContact O-N 3.28Å; E410-T414 VanDerWaalsContact O-N 3.11Å; E410-T414 PolarHBondContact O-OG1 3.11Å; L411-T414 CarbonylContact O-C 3.58Å; L411-T414 PolarHBondContact O-N 3.07Å; L411-T414 VanDerWaalsContact O-N 3.14Å; T414-Y417 PolarHBondContact O-N 2.87Å; T414-A418 WeakPolarHBondContact O-CB 3.44Å; T414-A418 PolarHBondContact O-N 3.2Å |
| 415 | T | 73.6 | Confident | 66.7 | Low | 74 Ų | 74 | 80.1 Ų | 80.1 | 45% | 0.454 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 112 | L411 A418 A419 | L411-T415 WeakPolarHBondContact O-CB 3.38Å; L411-T415 PolarHBondContact O-N 3.4Å; L411-T415 PolarHBondContact O-OG1 2.99Å; L411-T415 VanDerWaalsContact O-OG1 3.12Å; T415-A418 PolarHBondContact O-N 3.27Å; T415-A419 WeakPolarHBondContact O-CB 3.3Å; T415-A419 PolarHBondContact O-N 3.44Å |
| 416 | K | 74.8 | Confident | 67.5 | Low | 126 Ų | 126 | 81 Ų | 81 | 55% | 0.548 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 172.8 | -77.9 | 164.1 | 176.3 | 159.9 | 0 | 111.9 | D412 I413 A420 | D412-K416 WeakPolarHBondContact O-CB 3.38Å; D412-K416 WeakPolarHBondContact O-CD 3.44Å; D412-K416 VanDerWaalsContact O-CG 3.27Å; D412-K416 WeakPolarHBondContact O-CG 3.42Å; D412-K416 PolarHBondContact O-N 3.33Å; D412-K416 WeakPolarHBondContact OD1-CD 3.41Å; D412-K416 WeakPolarHBondContact OD1-CE 3.4Å; D412-K416 IonicContact OD1-NZ 2.93Å; D412-K416 PolarHBondContact OD1-NZ 2.87Å; D412-K416 IonicContact OD2-NZ 2.64Å; D412-K416 PolarHBondContact OD2-NZ 3.27Å; I413-K416 PolarHBondContact O-N 3.27Å; K416-A420 WeakPolarHBondContact O-CB 3.28Å; K416-A420 PolarHBondContact O-N 3.33Å |
| 417 | Y | 75.1 | Confident | 68 | Low | 166 Ų | 166 | 82.6 Ų | 82.6 | 65% | 0.651 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 173.7 | -103 | -84.6 | 0 | 0 | 0 | 112.7 | I413 T414 A420 L421 | I413-Y417 HydrophobicContact CG2-CD2 4.4Å; I413-Y417 PolarHBondContact O-N 2.89Å; T414-Y417 PolarHBondContact O-N 2.87Å; Y417-A420 PolarHBondContact O-N 2.89Å; Y417-L421 HydrophobicContact CD1-CD1 4.42Å; Y417-L421 WeakPolarHBondContact O-CD1 3.47Å; Y417-L421 PolarHBondContact O-N 3.34Å |
| 418 | A | 71.5 | Confident | 68 | Low | 22 Ų | 22 | 88.7 Ų | 88.7 | 18% | 0.182 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H396 T414 T415 A420 L421 S422 | H396-A418 WeakPolarHBondContact NE2-CB 3.49Å; T414-A418 WeakPolarHBondContact O-CB 3.44Å; T414-A418 PolarHBondContact O-N 3.2Å; T415-A418 PolarHBondContact O-N 3.27Å; A418-A420 VanDerWaalsContact C-N 3.32Å; A418-A420 PolarHBondContact O-N 3.43Å; A418-L421 PolarHBondContact O-N 3.45Å; A418-S422 PolarHBondContact O-N 2.76Å; A418-S422 PolarHBondContact O-OG 2.9Å |
| 419 | A | 74.6 | Confident | 68.2 | Low | 60 Ų | 60 | 87.5 Ų | 87.5 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T415 S422 A423 | T415-A419 WeakPolarHBondContact O-CB 3.3Å; T415-A419 PolarHBondContact O-N 3.44Å; A419-S422 PolarHBondContact O-N 3.08Å; A419-A423 WeakPolarHBondContact O-CB 3.49Å; A419-A423 PolarHBondContact O-N 3.09Å |
| 420 | A | 73.7 | Confident | 67.8 | Low | 44 Ų | 44 | 92.7 Ų | 92.7 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K416 Y417 A418 A423 M424 | K416-A420 WeakPolarHBondContact O-CB 3.28Å; K416-A420 PolarHBondContact O-N 3.33Å; Y417-A420 PolarHBondContact O-N 2.89Å; A418-A420 VanDerWaalsContact C-N 3.32Å; A418-A420 PolarHBondContact O-N 3.43Å; A420-A423 PolarHBondContact O-N 2.96Å; A420-M424 WeakPolarHBondContact O-CG 3.25Å; A420-M424 PolarHBondContact O-N 3.06Å |
| 421 | L | 74.3 | Confident | 67.6 | Low | 81 Ų | 81 | 95.5 Ų | 95.5 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 174.4 | -100.6 | 75.8 | 0 | 0 | 0 | 112 | F392 Y417 A418 A423 M424 A425 | F392-L421 HydrophobicContact CE1-CD2 4.02Å; F392-L421 HydrophobicContact CZ-CD2 4.4Å; Y417-L421 HydrophobicContact CD1-CD1 4.42Å; Y417-L421 WeakPolarHBondContact O-CD1 3.47Å; Y417-L421 PolarHBondContact O-N 3.34Å; A418-L421 PolarHBondContact O-N 3.45Å; L421-A423 PolarHBondContact O-N 2.95Å; L421-M424 PolarHBondContact O-N 2.9Å; L421-A425 WeakPolarHBondContact O-CB 3.45Å; L421-A425 PolarHBondContact O-N 3.49Å |
| 422 | S | 73.1 | Confident | 66.6 | Low | 70 Ų | 70 | 95.3 Ų | 95.3 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.6 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | A418 A419 A425 Q426 | A418-S422 PolarHBondContact O-N 2.76Å; A418-S422 PolarHBondContact O-OG 2.9Å; A419-S422 PolarHBondContact O-N 3.08Å; S422-A425 PolarHBondContact O-N 2.89Å; S422-Q426 WeakPolarHBondContact O-CB 3.41Å; S422-Q426 WeakPolarHBondContact O-CG 3.34Å; S422-Q426 PolarHBondContact O-N 3.1Å |
| 423 | A | 71.5 | Confident | 65.4 | Low | 44 Ų | 44 | 99 Ų | 99 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A419 A420 L421 Q427 | A419-A423 WeakPolarHBondContact O-CB 3.49Å; A419-A423 PolarHBondContact O-N 3.09Å; A420-A423 PolarHBondContact O-N 2.96Å; L421-A423 PolarHBondContact O-N 2.95Å; A423-Q427 PolarHBondContact O-N 3.05Å; A423-Q427 VanDerWaalsContact O-N 3.07Å |
| 424 | M | 72.4 | Confident | 63.6 | Low | 116 Ų | 116 | 99.3 Ų | 99.3 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 171 | -71.2 | -175.6 | -168.6 | 0 | 0 | 111.3 | A420 L421 Q426 Q427 Y428 | A420-M424 WeakPolarHBondContact O-CG 3.25Å; A420-M424 PolarHBondContact O-N 3.06Å; L421-M424 PolarHBondContact O-N 2.9Å; M424-Q426 VanDerWaalsContact C-N 3.32Å; M424-Q426 PolarHBondContact O-N 3.24Å; M424-Q427 PolarHBondContact O-N 2.79Å; M424-Q427 VanDerWaalsContact O-N 3.11Å; M424-Y428 WeakPolarHBondContact O-CD2 3.28Å; M424-Y428 PolarHBondContact O-N 3.28Å |
| 425 | A | 70.5 | Confident | 62.2 | Low | 59 Ų | 59 | 101.6 Ų | 101.6 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.3 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L421 S422 Y428 A429 | L421-A425 WeakPolarHBondContact O-CB 3.45Å; L421-A425 PolarHBondContact O-N 3.49Å; S422-A425 PolarHBondContact O-N 2.89Å; A425-Y428 PolarHBondContact O-N 3.02Å; A425-A429 PolarHBondContact O-N 3.36Å |
| 426 | Q | 68.7 | Low | 60.7 | Low | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.593 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.7 | -44.9 | 172 | -75.3 | 170.5 | -20.4 | 0 | 0 | 111.7 | S422 M424 Y428 A429 E430 | S422-Q426 WeakPolarHBondContact O-CB 3.41Å; S422-Q426 WeakPolarHBondContact O-CG 3.34Å; S422-Q426 PolarHBondContact O-N 3.1Å; M424-Q426 VanDerWaalsContact C-N 3.32Å; M424-Q426 PolarHBondContact O-N 3.24Å; Q426-Y428 VanDerWaalsContact C-N 3.26Å; Q426-Y428 PolarHBondContact O-N 3.02Å; Q426-A429 PolarHBondContact O-N 3.43Å; Q426-A429 VanDerWaalsContact O-N 3.1Å; Q426-E430 PolarHBondContact O-N 3.01Å |
| 427 | Q | 63 | Low | 58.8 | Low | 98 Ų | 98 | 103.2 Ų | 103.2 | 46% | 0.458 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.3 | -27.4 | 174.9 | -77.3 | -164.4 | 35.9 | 0 | 0 | 114.1 | A423 M424 R431 | A423-Q427 PolarHBondContact O-N 3.05Å; A423-Q427 VanDerWaalsContact O-N 3.07Å; M424-Q427 PolarHBondContact O-N 2.79Å; M424-Q427 VanDerWaalsContact O-N 3.11Å; Q427-R431 WeakPolarHBondContact O-CB 3.47Å; Q427-R431 WeakPolarHBondContact O-CG 3.3Å; Q427-R431 PolarHBondContact O-N 2.8Å |
| 428 | Y | 54.6 | Low | 56.9 | Low | 194 Ų | 194 | 104.8 Ų | 104.8 | 76% | 0.761 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.7 | -29.9 | 172.1 | -75.4 | -66.9 | 0 | 0 | 0 | 113.1 | M424 A425 Q426 | M424-Y428 WeakPolarHBondContact O-CD2 3.28Å; M424-Y428 PolarHBondContact O-N 3.28Å; A425-Y428 PolarHBondContact O-N 3.02Å; Q426-Y428 VanDerWaalsContact C-N 3.26Å; Q426-Y428 PolarHBondContact O-N 3.02Å |
| 429 | A | 57.3 | Low | 55.2 | Low | 78 Ų | 78 | 114.3 Ų | 114.3 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.3 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A425 Q426 | A425-A429 PolarHBondContact O-N 3.36Å; Q426-A429 PolarHBondContact O-N 3.43Å; Q426-A429 VanDerWaalsContact O-N 3.1Å |
| 430 | E | 53.3 | Low | 53.2 | Low | 168 Ų | 168 | 114.9 Ų | 114.9 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75 | -31.4 | 179.7 | -69.5 | -176.2 | 162.7 | 0 | 0 | 113.1 | Q426 G432 | Q426-E430 PolarHBondContact O-N 3.01Å; E430-G432 PolarHBondContact O-N 3.49Å |
| 431 | R | 50 | Low | 51.5 | Low | 172 Ų | 172 | 118.5 Ų | 118.5 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | | | trans | -84.3 | 48.3 | 174.7 | -66.5 | -164.8 | -175.8 | 98.2 | 1 | 112.9 | Q427 I433 | Q427-R431 WeakPolarHBondContact O-CB 3.47Å; Q427-R431 WeakPolarHBondContact O-CG 3.3Å; Q427-R431 PolarHBondContact O-N 2.8Å; R431-I433 PolarHBondContact O-N 2.73Å |
| 432 | G | 38.3 | Very low | 49.6 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | | | trans | -69.3 | 59.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | E430 | E430-G432 PolarHBondContact O-N 3.49Š|
| 433 | I | 41.6 | Very low | 47.9 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | | | trans | -130.7 | 106.5 | 176.4 | -57.4 | -179.6 | 0 | 0 | 0 | 110.8 | R431 | R431-I433 PolarHBondContact O-N 2.73Š|
| 434 | S | 35.7 | Very low | 46.2 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | | | trans | 3.6 | 115.1 | 154.6 | -169.8 | 0 | 0 | 0 | 0 | 119 | | |
| 435 | S | 39.5 | Very low | 44.4 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | | -178.2 | 129.5 | 111.5 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | V437 | S435-V437 PolarHBondContact O-N 2.88Š|
| 436 | P | 41.5 | Very low | 42.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | trans | -79.2 | 118.4 | 174.8 | 31.1 | -32.2 | 0 | 0 | 0 | 111.6 | K438 | P436-K438 PolarHBondContact O-N 3.48Å; P436-K438 VanDerWaalsContact O-N 3.13Å |
| 437 | V | 34.2 | Very low | 41 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | trans | -68.4 | 109.1 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | S435 Y439 | S435-V437 PolarHBondContact O-N 2.88Å; V437-Y439 PolarHBondContact O-N 3.28Å |
| 438 | K | 36.5 | Very low | 39.4 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | -68.4 | 115 | 172.8 | -72.1 | -177.7 | 176.6 | 179.5 | 0 | 110.3 | P436 G440 | P436-K438 PolarHBondContact O-N 3.48Å; P436-K438 VanDerWaalsContact O-N 3.13Å; K438-G440 PolarHBondContact O-N 3.22Å |
| 439 | Y | 35.2 | Very low | 38.5 | Very low | 221 Ų | 221 | 144.4 Ų | 144.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -74.8 | 104.9 | 167 | -83.5 | -93.5 | 0 | 0 | 0 | 110.3 | V437 | V437-Y439 PolarHBondContact O-N 3.28Š|
| 440 | G | 32.5 | Very low | 37.3 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -79.3 | 140.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K438 | K438-G440 PolarHBondContact O-N 3.22Š|
| 441 | S | 38.1 | Very low | 36.6 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -74.4 | 125.3 | -172.9 | -64.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 442 | K | 34.7 | Very low | 35.8 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 68.4 | 135.9 | 148.2 | -117.1 | 170 | -176.5 | 171.6 | 0 | 118.3 | | |
| 443 | K | 37 | Very low | 35.8 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 85.4 | 114.2 | 170.6 | -52.4 | 170.5 | -176.2 | 179.2 | 0 | 115.2 | | |
| 444 | E | 35 | Very low | 35.3 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | 45 | 104.7 | 156.5 | -58.5 | -173.5 | -175.9 | 0 | 0 | 119.5 | | |
| 445 | L | 34.9 | Very low | 35.5 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -151 | 123.6 | 143.6 | -150.1 | 68.7 | 0 | 0 | 0 | 112.3 | V447 | L445-V447 PolarHBondContact O-N 2.88Š|
| 446 | N | 30.9 | Very low | 35.2 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -73.4 | 108.5 | 170.3 | -86.9 | -37.6 | 0 | 0 | 0 | 109.8 | F448 | N446-F448 PolarHBondContact O-N 3.41Å; N446-F448 VanDerWaalsContact O-N 3.12Å |
| 447 | V | 36.7 | Very low | 35 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -82.5 | 89.4 | 171.5 | -177 | 0 | 0 | 0 | 0 | 109.5 | L445 V449 | L445-V447 PolarHBondContact O-N 2.88Å; V447-V449 HydrophobicContact CG1-CG2 4.31Å; V447-V449 PolarHBondContact O-N 3.44Å |
| 448 | F | 29.7 | Very low | 35.1 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -79.3 | 101.7 | 177.3 | -163.8 | -80.5 | 0 | 0 | 0 | 110.1 | N446 S450 | N446-F448 PolarHBondContact O-N 3.41Å; N446-F448 VanDerWaalsContact O-N 3.12Å; F448-S450 VanDerWaalsContact CD1-OG 3.3Å; F448-S450 WeakPolarHBondContact CD1-OG 3.19Å; F448-S450 WeakPolarHBondContact CE1-OG 3.4Å; F448-S450 PolarHBondContact O-N 3.07Å |
| 449 | V | 35.5 | Very low | 35.1 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | trans | -78.4 | 85.2 | -179.5 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | V447 P451 | V447-V449 HydrophobicContact CG1-CG2 4.31Å; V447-V449 PolarHBondContact O-N 3.44Å; V449-P451 WeakPolarHBondContact O-CD 3.37Å |
| 450 | S | 32.4 | Very low | 35.3 | Very low | 86 Ų | 86 | 147 Ų | 147 | 60% | 0.601 | 82% | 0.817 | S | S | * | * | | | trans | -79.7 | 117.6 | 169.7 | -76.3 | 0 | 0 | 0 | 0 | 111.2 | F448 A452 | F448-S450 VanDerWaalsContact CD1-OG 3.3Å; F448-S450 WeakPolarHBondContact CD1-OG 3.19Å; F448-S450 WeakPolarHBondContact CE1-OG 3.4Å; F448-S450 PolarHBondContact O-N 3.07Å; S450-A452 PolarHBondContact O-N 3.33Å |
| 451 | P | 37.7 | Very low | 35.7 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -72.7 | 122.1 | 170.1 | 29.6 | -32.7 | 0 | 0 | 0 | 110.2 | V449 V453 | V449-P451 WeakPolarHBondContact O-CD 3.37Å; P451-V453 PolarHBondContact O-N 2.92Å; P451-V453 VanDerWaalsContact O-N 3.13Å |
| 452 | A | 34.8 | Very low | 36 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | trans | -74.3 | 102.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S450 | S450-A452 PolarHBondContact O-N 3.33Š|
| 453 | V | 37.2 | Very low | 36.8 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | | | trans | -87.4 | 126 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 110 | P451 | P451-V453 PolarHBondContact O-N 2.92Å; P451-V453 VanDerWaalsContact O-N 3.13Å |
| 454 | S | 32.1 | Very low | 37.2 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | | | trans | -61.7 | 139 | 178.7 | 179.9 | 0 | 0 | 0 | 0 | 113 | | |
| 455 | K | 39.3 | Very low | 37.6 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | -137.6 | 145.3 | 161.9 | -78.1 | -166.7 | 174.6 | -177.1 | 0 | 111.2 | | |
| 456 | Y | 34.2 | Very low | 38.2 | Very low | 236 Ų | 236 | 137 Ų | 137 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | | | trans | -80.2 | 155.2 | -175.7 | -81.2 | -115.5 | 0 | 0 | 0 | 113.2 | | |
| 457 | G | 36 | Very low | 38.7 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | trans | 111 | 117.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 458 | G | 37.1 | Very low | 39 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | 167.1 | 95.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 459 | R | 37.1 | Very low | 39.8 | Very low | 233 Ų | 233 | 138.7 Ų | 138.7 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -71.5 | 141.6 | -175 | -51 | 172.7 | -171 | -96.5 | 5 | 112.1 | | |
| 460 | Q | 39.1 | Very low | 40.6 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | | -167.8 | 167.3 | 115 | -102.5 | 154.9 | 104.8 | 0 | 0 | 113.2 | | |
| 461 | S | 39.4 | Very low | 41 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -101.9 | 153.8 | -150.2 | 45.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 462 | P | 45.4 | Very low | 41.3 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | | | trans | -111.8 | 164.4 | 171.5 | 40.8 | -33.1 | 0 | 0 | 0 | 114.7 | | |
| 463 | P | 52 | Low | 41.6 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -102.3 | 136.6 | 149.3 | 34.8 | -26 | 0 | 0 | 0 | 110.2 | | |
| 464 | V | 44.7 | Very low | 42 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | | | cis | 75.6 | 97.2 | 48.4 | -178.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 465 | A | 44.2 | Very low | 42.1 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | | | trans | -168.4 | 108.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 466 | T | 47.6 | Very low | 42.2 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 91% | 0.908 | 83% | 0.831 | S | S | * | * | | | trans | -3.3 | 130.2 | 155.4 | 53.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 467 | G | 40.1 | Very low | 42.2 | Very low | 83 Ų | 83 | 135.8 Ų | 135.8 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | | | trans | -159 | 114.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 468 | R | 44.5 | Very low | 42 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | -77.4 | 140.7 | -170.1 | -82.4 | 177.8 | 162.6 | -156.1 | 0.7 | 115.5 | | |
| 469 | R | 46.4 | Very low | 41.9 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | | | trans | 63.4 | 152.4 | 139.6 | -65.4 | 176.6 | -179.5 | -138.6 | -1.8 | 117.1 | | |
| 470 | T | 50.8 | Low | 41.4 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | | | cis | -143.9 | 152.3 | 2.7 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 471 | G | 42.2 | Very low | 41 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | trans | 158 | 130.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 472 | P | 42.4 | Very low | 40.6 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | | | trans | -108.5 | 136.4 | -171.5 | 37.4 | -30.9 | 0 | 0 | 0 | 115.7 | | |
| 473 | A | 42.9 | Very low | 40.1 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | | | trans | -155.3 | 143.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 474 | P | 45.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | trans | -95 | 155.1 | -161.6 | 35.7 | -36.5 | 0 | 0 | 0 | 115.9 | | |
| 475 | V | 32.9 | Very low | 38.4 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 87% | 0.873 | 84% | 0.835 | S | S | * | * | | | trans | -81.1 | 142.2 | 159.9 | -75 | 0 | 0 | 0 | 0 | 111.1 | | |
| 476 | S | 40.7 | Very low | 38.2 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | | | trans | -161.3 | 146.5 | 150.8 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 477 | K | 35.2 | Very low | 37.5 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | | | trans | -97.9 | 135.8 | 167.2 | -61.9 | 166.2 | -179.6 | 171.2 | 0 | 107.9 | | |
| 478 | L | 32.6 | Very low | 37.5 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | | | trans | -150.6 | 124.2 | 160.5 | -140.1 | 66.6 | 0 | 0 | 0 | 106.5 | | |
| 479 | A | 34.9 | Very low | 37.3 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | cis | 79 | 144.2 | 39.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 480 | R | 26.7 | Very low | 36.9 | Very low | 252 Ų | 252 | 141.9 Ų | 141.9 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | | | trans | -75.3 | 133.6 | -166.3 | -64.8 | 170.6 | 166.7 | 123.9 | -9.8 | 113.4 | | |
| 481 | A | 30.7 | Very low | 36.3 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -157.3 | 133 | 146.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 482 | I | 29.3 | Very low | 36.3 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 82% | 0.821 | 82% | 0.823 | S | S | * | * | | | | 65.4 | 99.6 | 54.4 | -54.5 | 170.2 | 0 | 0 | 0 | 112.5 | | |
| 483 | T | 35.3 | Very low | 36.3 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | | | trans | -158.6 | 129.6 | 133.5 | 36.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 484 | V | 28.4 | Very low | 36.2 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | | | trans | -111.2 | 113.5 | 167.8 | 176 | 0 | 0 | 0 | 0 | 108.1 | | |
| 485 | S | 33.5 | Very low | 36.4 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | 177 | 140.3 | 167.7 | -170.9 | 0 | 0 | 0 | 0 | 106 | | |
| 486 | S | 40.5 | Very low | 36.9 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | | | cis | -133.8 | -173.5 | 5 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 487 | F | 32.5 | Very low | 36.9 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | | | cis | -160.8 | 131.3 | 23.4 | -177.7 | -104.6 | 0 | 0 | 0 | 109.2 | Q489 | F487-Q489 HydrophobicContact CD1-CB 4.29Å; F487-Q489 HydrophobicContact CE1-CB 3.92Å; F487-Q489 HydrophobicContact CE1-CG 4.3Å |
| 488 | D | 39.1 | Very low | 37.1 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -93.7 | 129.2 | 175 | 173.4 | 19.1 | 0 | 0 | 0 | 110.6 | | |
| 489 | Q | 40.5 | Very low | 37.3 | Very low | 146 Ų | 146 | 143 Ų | 143 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | | | trans | -161.3 | 83.4 | 164 | -127.1 | 174.7 | 71.3 | 0 | 0 | 113.8 | F487 | F487-Q489 HydrophobicContact CD1-CB 4.29Å; F487-Q489 HydrophobicContact CE1-CB 3.92Å; F487-Q489 HydrophobicContact CE1-CG 4.3Å |
| 490 | R | 37.5 | Very low | 37.4 | Very low | 239 Ų | 239 | 146.3 Ų | 146.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | 170.5 | 79.1 | 131.6 | -92.6 | 167.8 | 179.6 | -131.4 | -0.7 | 113.9 | | |
| 491 | L | 38.1 | Very low | 37.4 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | -106.2 | 109.2 | 153.3 | -86.4 | 169.5 | 0 | 0 | 0 | 110.2 | | |
| 492 | K | 43.6 | Very low | 37.7 | Very low | 217 Ų | 217 | 150 Ų | 150 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | | | trans | -170.5 | 102.1 | 163.8 | -110.2 | 166.5 | -174.7 | 178.3 | 0 | 109.6 | | |
| 493 | G | 41.9 | Very low | 37.9 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 162 | 54.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 494 | L | 41.2 | Very low | 37.7 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -122.7 | 144.4 | 171 | -113.5 | 83.3 | 0 | 0 | 0 | 110.2 | K496 | L494-K496 HydrophobicContact CD2-CG 4.03Š|
| 495 | P | 49.1 | Very low | 38.2 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -111 | 163.6 | 134.4 | 33.2 | -27.3 | 0 | 0 | 0 | 111.1 | | |
| 496 | K | 42.9 | Very low | 38.3 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | -128.1 | 137.7 | -174 | -64.7 | 177.4 | 179.2 | 179.5 | 0 | 112.2 | L494 | L494-K496 HydrophobicContact CD2-CG 4.03Š|
| 497 | A | 41 | Very low | 38.4 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -165.7 | 149.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 498 | G | 39.2 | Very low | 38.6 | Very low | 74 Ų | 74 | 151.6 Ų | 151.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | cis | -161.1 | 139.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 499 | V | 36.8 | Very low | 38.6 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -55.6 | 140.9 | 175.6 | 175.7 | 0 | 0 | 0 | 0 | 111 | | |
| 500 | E | 37.1 | Very low | 38.4 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | | -160.8 | 157.2 | 99 | -91.5 | -75.5 | 86.9 | 0 | 0 | 113.1 | | |
| 501 | R | 27.7 | Very low | 38.5 | Very low | 222 Ų | 222 | 146.8 Ų | 146.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -98.3 | 159.9 | 165.7 | -69.5 | 171.2 | 166.1 | 155.6 | -8.7 | 109.3 | | |
| 502 | F | 35.6 | Very low | 38.7 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | | -165.6 | 175 | 119.6 | -113.5 | -73.7 | 0 | 0 | 0 | 111.9 | | |
| 503 | E | 34 | Very low | 38.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | -131 | 129.2 | -141.1 | 175 | 174.4 | 172.4 | 0 | 0 | 113.1 | | |
| 504 | S | 32.2 | Very low | 38 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | 75.7 | 168.9 | 149.5 | 79.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 505 | I | 37.5 | Very low | 38 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 86.3 | 127.9 | 166.7 | -59.8 | 163.3 | 0 | 0 | 0 | 116.9 | | |
| 506 | P | 37.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -121 | -151.9 | -168.3 | 48.5 | -32.9 | 0 | 0 | 0 | 112.9 | | |
| 507 | P | 42.5 | Very low | 37.1 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | | -124 | 164.8 | -114.7 | 34.7 | -14.2 | 0 | 0 | 0 | 116.3 | | |
| 508 | R | 35.7 | Very low | 37 | Very low | 213 Ų | 213 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -154 | 143.4 | 166.2 | -113.1 | 177.4 | -174 | -115.6 | 9.1 | 115.8 | | |
| 509 | E | 39.7 | Very low | 37 | Very low | 121 Ų | 121 | 146 Ų | 146 | 57% | 0.565 | 78% | 0.777 | S | S | * | * | | | trans | 53.8 | 104.8 | 145.5 | -73.1 | 167.4 | 132.5 | 0 | 0 | 123.6 | | |
| 510 | K | 36.2 | Very low | 36.9 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | | 41.2 | 113.5 | 116.3 | -58.8 | 171.6 | -175.5 | 167.6 | 0 | 119 | | |
| 511 | A | 39.5 | Very low | 37 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -150.1 | 151.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 512 | T | 41.3 | Very low | 37.5 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -68 | 135.7 | 177.6 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 513 | R | 33.5 | Very low | 37.7 | Very low | 231 Ų | 231 | 142.4 Ų | 142.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | | 81.5 | 146.8 | 94.8 | -165.8 | -174.6 | 175.9 | 174.2 | -0.3 | 114.7 | | |
| 514 | A | 38.1 | Very low | 38 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 60% | 0.595 | 77% | 0.767 | S | S | * | * | | | trans | 97.4 | 99.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 515 | H | 40.4 | Very low | 38.3 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | | 67.2 | 165.1 | 126 | -63.1 | -70.1 | 0 | 0 | 0 | 122.9 | | |
| 516 | A | 38.9 | Very low | 38.2 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | 85.6 | 100.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 517 | S | 35.6 | Very low | 38.2 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -67.7 | 163.3 | 157 | 4.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 518 | V | 37.6 | Very low | 37.7 | Very low | 134 Ų | 134 | 147 Ų | 147 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | 177.7 | 138.8 | 135 | 142.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 519 | T | 40.9 | Very low | 37.9 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | 28.9 | 111.6 | 163.5 | 60.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 520 | E | 33.6 | Very low | 37.9 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | | 42.6 | 104.6 | 100.9 | -168.5 | 178.6 | 176.7 | 0 | 0 | 120.4 | | |
| 521 | L | 38.7 | Very low | 38 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | trans | -153.8 | 165.4 | 147.9 | -76.5 | -175.2 | 0 | 0 | 0 | 110.3 | | |
| 522 | K | 39.2 | Very low | 37.9 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | | | | -176.3 | 139.8 | -64.5 | 164.8 | 173.7 | 168 | 173.5 | 0 | 110.6 | | |
| 523 | E | 38.9 | Very low | 37.7 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | | | trans | 62.9 | 158.6 | 169.2 | -74 | 174.2 | 179.8 | 0 | 0 | 116.5 | | |
| 524 | L | 40.3 | Very low | 37.6 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | cis | -151.2 | -174.5 | -11.8 | -107 | 164.9 | 0 | 0 | 0 | 108.2 | | |
| 525 | P | 39.9 | Very low | 37.6 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | -129.8 | 178.9 | -141.3 | 44.5 | -26.6 | 0 | 0 | 0 | 118 | | |
| 526 | K | 33.9 | Very low | 37.2 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | 20.6 | 130.5 | 147.6 | -63.4 | 176.9 | -179.5 | 178 | 0 | 120.5 | | |
| 527 | E | 37.4 | Very low | 37 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -140.2 | 142.2 | 149.5 | -96.4 | -57.2 | 157.1 | 0 | 0 | 111.9 | | |
| 528 | T | 33 | Very low | 37.1 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | | | trans | -166.8 | 136.3 | 173.6 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 529 | P | 39.8 | Very low | 37.3 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | | -159.3 | 168.8 | 106.4 | 40.8 | -22 | 0 | 0 | 0 | 118.7 | | |
| 530 | T | 38.5 | Very low | 37.1 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | trans | 22.3 | 140.6 | 145.3 | 62.1 | 0 | 0 | 0 | 0 | 124.1 | | |
| 531 | E | 38 | Very low | 37.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | | -178.1 | 110.9 | 104.7 | -170.5 | 140.1 | -128.1 | 0 | 0 | 111.9 | | |
| 532 | K | 39.1 | Very low | 37.6 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | | 67 | 160.6 | 102.2 | -55.3 | -178.7 | -161 | 139.3 | 0 | 119.9 | | |
| 533 | V | 36.2 | Very low | 37.6 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | | | trans | 76.9 | 142.7 | 166.4 | -165.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 534 | A | 32.1 | Very low | 37.5 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | cis | 169.6 | -175.7 | -45.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 535 | V | 37.5 | Very low | 37.4 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | | | trans | 87.3 | 106.3 | 167.8 | -171.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 536 | E | 31.7 | Very low | 37.4 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | | 33 | 154.6 | 124.4 | -65.4 | -178.3 | 118.9 | 0 | 0 | 122.8 | | |
| 537 | A | 35.5 | Very low | 37.8 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | | | cis | -170.2 | -179.1 | -11.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 538 | S | 37.9 | Very low | 37.9 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | | | trans | 72.4 | 153.4 | 176.4 | 81.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 539 | S | 40.6 | Very low | 38 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | cis | -140.1 | 160.6 | 6.8 | -168.6 | 0 | 0 | 0 | 0 | 113 | | |
| 540 | S | 37.9 | Very low | 37.7 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -95.9 | -163.1 | -175.2 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 541 | P | 42.8 | Very low | 37.6 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | cis | -150.8 | -172.3 | 8.8 | 40.6 | -16 | 0 | 0 | 0 | 120 | | |
| 542 | V | 39 | Very low | 37.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | | | trans | 80.6 | 99.3 | 160.9 | -174.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 543 | R | 38.9 | Very low | 37.3 | Very low | 209 Ų | 209 | 129.2 Ų | 129.2 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | | | | 66.5 | 148.5 | 90.7 | -61.8 | 179.4 | -173.7 | 172.5 | 1.6 | 115.4 | | |
| 544 | F | 37.1 | Very low | 37.2 | Very low | 183 Ų | 183 | 129 Ų | 129 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | | | cis | -119.5 | 168.3 | 2.4 | -79 | -107.4 | 0 | 0 | 0 | 109.5 | | |
| 545 | G | 38.4 | Very low | 37.2 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | cis | 105.9 | 120.8 | 12.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 546 | S | 40.7 | Very low | 37 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | cis | -121.9 | -158.7 | -0.9 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 547 | N | 40.9 | Very low | 37.1 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | cis | -144.1 | 165.6 | 4.9 | -116.7 | -7 | 0 | 0 | 0 | 107.2 | | |
| 548 | T | 39.7 | Very low | 37 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | | | cis | 79.8 | 114.6 | 41.4 | -36.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 549 | L | 35.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | cis | -122.7 | 164.3 | 24.3 | -76.5 | 164.4 | 0 | 0 | 0 | 115.5 | | |
| 550 | R | 33.9 | Very low | 36.4 | Very low | 233 Ų | 233 | 133.4 Ų | 133.4 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -153.2 | 133.3 | 168.9 | -145.3 | -161.2 | -53.3 | -174.2 | 3.8 | 109.9 | | |
| 551 | T | 35.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -145.8 | 96.3 | 174.1 | -43.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 552 | V | 35.7 | Very low | 36 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | | 38.6 | 133.5 | 98.7 | -50.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 553 | G | 35.1 | Very low | 35.7 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | cis | 168.8 | -159.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 554 | S | 35.2 | Very low | 36 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 92% | 0.923 | 80% | 0.804 | S | S | * | * | | | trans | 74.1 | 104.2 | 168.4 | -60.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 555 | A | 31.8 | Very low | 36 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -72.5 | 166.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 556 | K | 33.2 | Very low | 35.8 | Very low | 206 Ų | 206 | 133.5 Ų | 133.5 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | | | trans | -152.1 | 151.8 | 130.1 | -158.6 | 157.6 | -177.1 | 176.4 | 0 | 112 | | |
| 557 | M | 32.5 | Very low | 35.4 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -99.5 | 148.4 | 174.7 | -49.8 | -176.3 | -57.4 | 0 | 0 | 111.4 | | |
| 558 | A | 33.8 | Very low | 35 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -163.7 | 156.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 559 | S | 30.7 | Very low | 34.9 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -136.7 | 131 | -175.8 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 560 | A | 36.3 | Very low | 34.8 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | trans | -160.9 | 121.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 561 | T | 34.3 | Very low | 34.9 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | | 54.8 | 94.4 | 63.4 | 65.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 562 | E | 36.4 | Very low | 35 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -145.1 | 166.8 | 137.5 | -135.9 | 167.3 | -160.5 | 0 | 0 | 109.4 | | |
| 563 | S | 34.5 | Very low | 34.9 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -154.1 | 150.9 | -174.3 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 564 | P | 43.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | | | | -126.2 | 127.2 | 120.6 | 3 | 18.4 | 0 | 0 | 0 | 111.1 | | |
| 565 | I | 37.8 | Very low | 34.8 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | | 64.6 | 106.1 | 84.7 | -60.2 | 162.9 | 0 | 0 | 0 | 112.3 | | |
| 566 | G | 33.5 | Very low | 35 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -164.5 | -13.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 567 | G | 32.2 | Very low | 35 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | trans | 84.3 | 128.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 568 | H | 33.1 | Very low | 35.4 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | | 60 | 129.9 | 72.4 | -91.8 | -74.5 | 0 | 0 | 0 | 113.7 | | |
| 569 | V | 38.6 | Very low | 35.7 | Very low | 94 Ų | 94 | 140 Ų | 140 | 57% | 0.57 | 79% | 0.791 | S | S | * | * | | | cis | -152.1 | 139 | 30.2 | -176 | 0 | 0 | 0 | 0 | 114.3 | | |
| 570 | N | 32.9 | Very low | 35.9 | Very low | 126 Ų | 126 | 143 Ų | 143 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | | | trans | 17 | 137 | 152.4 | -43.4 | -18.7 | 0 | 0 | 0 | 123.9 | | |
| 571 | K | 36.8 | Very low | 36.2 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | | -145.8 | 126.7 | 124.2 | -82 | 111.5 | -178.9 | 177.8 | 0 | 107.5 | | |
| 572 | A | 36.7 | Very low | 36.1 | Very low | 84 Ų | 84 | 147.3 Ų | 147.3 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | cis | 66.1 | 91.2 | 37.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 573 | R | 34.7 | Very low | 36.2 | Very low | 234 Ų | 234 | 145.6 Ų | 145.6 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | | 61.8 | 106.9 | 90.8 | -85.8 | -168.9 | 169.1 | -168.2 | -2.1 | 115.9 | | |
| 574 | H | 32.1 | Very low | 36.3 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 68.5 | 160.6 | 149.5 | -84.4 | -70.8 | 0 | 0 | 0 | 119.1 | | |
| 575 | P | 35.8 | Very low | 36.2 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -91.4 | 128.8 | -141.5 | 33 | -36.3 | 0 | 0 | 0 | 114.2 | | |
| 576 | L | 36 | Very low | 36.5 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -77.5 | 126.6 | 168.2 | -70.8 | 175.7 | 0 | 0 | 0 | 110.9 | L578 | L576-L578 PolarHBondContact O-N 3.21Š|
| 577 | K | 32.1 | Very low | 36.7 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | | | trans | -67.9 | 94.2 | 175.3 | -60.7 | 167.9 | -176 | 170.9 | 0 | 109 | V579 | K577-V579 PolarHBondContact O-N 3.47Å; K577-V579 VanDerWaalsContact O-N 3.07Å |
| 578 | L | 41 | Very low | 37.2 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | -64.8 | 113.8 | 174.1 | -128.5 | 76.5 | 0 | 0 | 0 | 109.4 | L576 K580 | L576-L578 PolarHBondContact O-N 3.21Å; L578-K580 PolarHBondContact O-N 3.3Å; L578-K580 VanDerWaalsContact O-N 3.16Å |
| 579 | V | 39.9 | Very low | 37.5 | Very low | 124 Ų | 124 | 150 Ų | 150 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -63.9 | 116.6 | -177.3 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | K577 K581 | K577-V579 PolarHBondContact O-N 3.47Å; K577-V579 VanDerWaalsContact O-N 3.07Å; V579-K581 PolarHBondContact O-N 3.08Å |
| 580 | K | 36.5 | Very low | 37.5 | Very low | 183 Ų | 183 | 153 Ų | 153 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -71.8 | 76.8 | -179.5 | -171.1 | 168.3 | 179.5 | 170.7 | 0 | 111.3 | L578 Q582 | L578-K580 PolarHBondContact O-N 3.3Å; L578-K580 VanDerWaalsContact O-N 3.16Å; K580-Q582 WeakPolarHBondContact O-CB 3.5Å; K580-Q582 PolarHBondContact O-N 3.28Å |
| 581 | K | 40.7 | Very low | 37.6 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | | | trans | -72.2 | 99 | 149 | -63.3 | -178.8 | -179.9 | -179.4 | 0 | 105.1 | V579 I583 | V579-K581 PolarHBondContact O-N 3.08Å; K581-I583 VanDerWaalsContact C-N 3.35Å |
| 582 | Q | 33.5 | Very low | 38 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | | | | 57.5 | 42.6 | 56.4 | -153.8 | 63.4 | 42.5 | 0 | 0 | 112.7 | K580 T584 | K580-Q582 WeakPolarHBondContact O-CB 3.5Å; K580-Q582 PolarHBondContact O-N 3.28Å; Q582-T584 PolarHBondContact NE2-OG1 3.48Å; Q582-T584 PolarHBondContact O-N 2.87Å |
| 583 | I | 37.8 | Very low | 38 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -73.4 | 111 | 148.3 | -63.7 | 179.1 | 0 | 0 | 0 | 106 | K581 S585 | K581-I583 VanDerWaalsContact C-N 3.35Å; I583-S585 PolarHBondContact O-N 3.25Å |
| 584 | T | 36.6 | Very low | 38.4 | Very low | 72 Ų | 72 | 151.9 Ų | 151.9 | 44% | 0.442 | 78% | 0.779 | S | S | . | * | | | trans | -92.8 | 76.3 | -174.1 | -47.7 | 0 | 0 | 0 | 0 | 110.3 | Q582 D586 N587 | Q582-T584 PolarHBondContact NE2-OG1 3.48Å; Q582-T584 PolarHBondContact O-N 2.87Å; T584-D586 VanDerWaalsContact C-N 3.3Å; T584-D586 PolarHBondContact O-N 3.11Å; T584-N587 HydrophobicContact CG2-CB 4.04Å |
| 585 | S | 41.9 | Very low | 38.7 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -86.3 | 75.6 | 162.6 | 59.1 | 0 | 0 | 0 | 0 | 109.3 | I583 | I583-S585 PolarHBondContact O-N 3.25Š|
| 586 | D | 43.3 | Very low | 39.3 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | 171.8 | 73.4 | 160.8 | -90.6 | -17.3 | 0 | 0 | 0 | 107.8 | T584 | T584-D586 VanDerWaalsContact C-N 3.3Å; T584-D586 PolarHBondContact O-N 3.11Å |
| 587 | N | 38.7 | Very low | 40.1 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -136.2 | 35.8 | 179.6 | -147.2 | 1.3 | 0 | 0 | 0 | 112.5 | T584 | T584-N587 HydrophobicContact CG2-CB 4.04Š|
| 588 | L | 42.9 | Very low | 40.8 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | | | trans | -105.9 | 163.1 | 154.3 | -91.5 | 71.9 | 0 | 0 | 0 | 107.7 | | |
| 589 | L | 39.2 | Very low | 40.8 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 72.7 | 48.4 | -176.2 | -51.1 | 178.7 | 0 | 0 | 0 | 116 | | |
| 590 | L | 39.1 | Very low | 40.9 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -127.9 | 150.6 | 139.7 | -144.9 | 75 | 0 | 0 | 0 | 110.6 | | |
| 591 | S | 34.2 | Very low | 41.3 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 63.6 | 59 | 166.4 | -57.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 592 | K | 44.7 | Very low | 41.3 | Very low | 184 Ų | 184 | 137 Ų | 137 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | | -135.4 | 120.9 | 126.7 | -75.7 | -160.4 | 176.9 | 177.4 | 0 | 111.7 | L594 | K592-L594 HydrophobicContact CB-CD1 4.02Å; K592-L594 HydrophobicContact CB-CG 4.42Å; K592-L594 PolarHBondContact O-N 3.11Å |
| 593 | K | 38.1 | Very low | 41.6 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | -73.3 | 102.6 | 170.2 | 178.9 | -177 | 177.3 | -175.2 | 0 | 107.6 | | |
| 594 | L | 42.9 | Very low | 41.6 | Very low | 132 Ų | 132 | 134 Ų | 134 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | | | trans | -138.2 | 125.9 | -178.3 | -83.4 | 164.2 | 0 | 0 | 0 | 108.8 | K592 | K592-L594 HydrophobicContact CB-CD1 4.02Å; K592-L594 HydrophobicContact CB-CG 4.42Å; K592-L594 PolarHBondContact O-N 3.11Å |
| 595 | D | 38.8 | Very low | 41.8 | Very low | 116 Ų | 116 | 141 Ų | 141 | 62% | 0.62 | 78% | 0.783 | S | S | * | * | | | trans | -77.9 | 147.3 | -167.4 | -62.2 | -73.4 | 0 | 0 | 0 | 113.3 | S597 | D595-S597 PolarHBondContact O-N 2.86Š|
| 596 | P | 46.7 | Very low | 41.5 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 2.5 | -170.2 | 28.3 | -36.4 | 0 | 0 | 0 | 115.3 | | |
| 597 | S | 53.2 | Low | 41.2 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -15.7 | -177.5 | -56 | 0 | 0 | 0 | 0 | 114.8 | D595 | D595-S597 PolarHBondContact O-N 2.86Š|
| 598 | L | 46.1 | Very low | 40.9 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -87.1 | -9.7 | -176.4 | -73 | 174.5 | 0 | 0 | 0 | 114.9 | A600 | L598-A600 PolarHBondContact O-N 2.98Š|
| 599 | L | 41.2 | Very low | 40.8 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -76.3 | -6.8 | 179 | -124.5 | 72.9 | 0 | 0 | 0 | 114.1 | | |
| 600 | A | 43.5 | Very low | 40.5 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -85 | -3.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L598 | L598-A600 PolarHBondContact O-N 2.98Š|
| 601 | A | 44.3 | Very low | 40.2 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -104.1 | -5.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 602 | L | 40.9 | Very low | 40.2 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | | | trans | -114.1 | 75.1 | -178.8 | -71.4 | 175.1 | 0 | 0 | 0 | 111.3 | | |
| 603 | G | 38.8 | Very low | 39.9 | Very low | 60 Ų | 60 | 137.2 Ų | 137.2 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | | | trans | -84.9 | 168.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 604 | N | 39.5 | Very low | 39.6 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | trans | 71.2 | 93.9 | 155.3 | -50.1 | -25.4 | 0 | 0 | 0 | 118.3 | | |
| 605 | R | 38.9 | Very low | 39.1 | Very low | 219 Ų | 219 | 130.6 Ų | 130.6 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | | | | -170.8 | 115.5 | 104.2 | -100.4 | -169.1 | 172.8 | -100 | -1.6 | 113.6 | | |
| 606 | L | 36.1 | Very low | 38.9 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | trans | 49.1 | 152.4 | 142.3 | -77.7 | 85.3 | 0 | 0 | 0 | 121.6 | | |
| 607 | P | 38 | Very low | 38.1 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | cis | -135.7 | 146.6 | -35.7 | 36 | -19.8 | 0 | 0 | 0 | 113.2 | | |
| 608 | V | 32 | Very low | 37.1 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | -91.7 | 139 | 163 | 177 | 0 | 0 | 0 | 0 | 108.6 | E610 | V608-E610 HydrophobicContact CG1-CG 4.12Š|
| 609 | V | 39.9 | Very low | 36.6 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | | | trans | -111.8 | 102.2 | 168 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 610 | E | 33 | Very low | 36.6 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | trans | -79.4 | 151.2 | 167.4 | -66.9 | 178.2 | 141.4 | 0 | 0 | 110.3 | V608 | V608-E610 HydrophobicContact CG1-CG 4.12Š|
| 611 | N | 34.2 | Very low | 36.1 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | -145.5 | 111.3 | 161.2 | -99.4 | -55.8 | 0 | 0 | 0 | 108.7 | | |
| 612 | H | 34.5 | Very low | 35.6 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -110.8 | 96.3 | -177.9 | -74.3 | -60.8 | 0 | 0 | 0 | 111.8 | | |
| 613 | I | 36.9 | Very low | 35.6 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -144.5 | 140.5 | 156.6 | -65.3 | 95.6 | 0 | 0 | 0 | 105.4 | | |
| 614 | G | 33.2 | Very low | 35.6 | Very low | 66 Ų | 66 | 145.8 Ų | 145.8 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | cis | 174.9 | 143.3 | -3.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | A616 | G614-A616 PolarHBondContact O-N 3.28Š|
| 615 | S | 30.9 | Very low | 35.4 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | | | trans | -46.1 | 128.5 | -173.5 | 161.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 616 | A | 34.6 | Very low | 35.5 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | | 179.3 | 134.6 | 116.4 | 0 | 0 | 0 | 0 | 0 | 115 | G614 | G614-A616 PolarHBondContact O-N 3.28Š|
| 617 | G | 30.5 | Very low | 35.7 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | 82.9 | 128.4 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 618 | R | 31.7 | Very low | 35.6 | Very low | 232 Ų | 232 | 142.9 Ų | 142.9 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | 56.1 | 103.6 | 148.9 | -90.4 | -177.5 | 172.2 | 140.3 | -1.3 | 119.1 | | |
| 619 | T | 36 | Very low | 36 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | | | | 91.1 | 166.3 | 95.6 | 48.4 | 0 | 0 | 0 | 0 | 113 | | |
| 620 | E | 41.1 | Very low | 35.8 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | 63.5 | 106.9 | -166.4 | -69.5 | 132.3 | -118.2 | 0 | 0 | 112.5 | | |
| 621 | N | 32.9 | Very low | 36.2 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | cis | 55.5 | 132.3 | 46.8 | -57.9 | -22.7 | 0 | 0 | 0 | 113.4 | | |
| 622 | E | 34.4 | Very low | 36.8 | Very low | 190 Ų | 190 | 136.3 Ų | 136.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | 61.2 | 92.8 | 170.8 | -51.7 | -165.5 | 137.9 | 0 | 0 | 117 | | |
| 623 | S | 41.5 | Very low | 37 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | 179 | -22.8 | 155.6 | -87.9 | 0 | 0 | 0 | 0 | 114.2 | L625 | S623-L625 PolarHBondContact O-N 3.12Š|
| 624 | R | 38.5 | Very low | 37.2 | Very low | 243 Ų | 243 | 136.3 Ų | 136.3 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 39.1 | -166.7 | -60.5 | -169.5 | 70.2 | 169.7 | 3 | 115.9 | | |
| 625 | L | 35.4 | Very low | 37.7 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 15.3 | 172.7 | -83.8 | 176.1 | 0 | 0 | 0 | 114.7 | S623 | S623-L625 PolarHBondContact O-N 3.12Š|
| 626 | T | 41.2 | Very low | 38.1 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -117.1 | 9.8 | 178.8 | -26.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 627 | A | 39.1 | Very low | 38.6 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -122.6 | 14.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 628 | L | 36.2 | Very low | 39 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -128.2 | 13.5 | 176.6 | -75.8 | 172.5 | 0 | 0 | 0 | 113.8 | G630 | L628-G630 VanDerWaalsContact C-N 3.34Š|
| 629 | L | 39.8 | Very low | 39.1 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | -100.6 | 57.8 | 165.3 | -79.3 | 162.7 | 0 | 0 | 0 | 109.5 | | |
| 630 | G | 36.4 | Very low | 39.2 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -140 | 47.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L628 | L628-G630 VanDerWaalsContact C-N 3.34Š|
| 631 | G | 41.5 | Very low | 39 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | | | trans | -57.8 | 143.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K633 | G631-K633 PolarHBondContact O-N 3.48Š|
| 632 | P | 46.5 | Very low | 39.1 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -59.3 | 126.1 | -176.4 | 24.8 | -33.8 | 0 | 0 | 0 | 109.8 | V634 | P632-V634 VanDerWaalsContact C-N 3.3Å; P632-V634 PolarHBondContact O-N 3.4Å |
| 633 | K | 39.3 | Very low | 39.3 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -66.8 | 92 | 173.9 | -172.8 | 174 | -176.5 | 176.5 | 0 | 107.9 | G631 V635 | G631-K633 PolarHBondContact O-N 3.48Å; K633-V635 VanDerWaalsContact C-N 3.26Å; K633-V635 PolarHBondContact O-N 2.94Å |
| 634 | V | 40.3 | Very low | 38.9 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -67.3 | 90 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | P632 | P632-V634 VanDerWaalsContact C-N 3.3Å; P632-V634 PolarHBondContact O-N 3.4Å |
| 635 | V | 43.7 | Very low | 38.9 | Very low | 100 Ų | 100 | 141 Ų | 141 | 61% | 0.606 | 80% | 0.796 | S | S | * | * | | | trans | -61.2 | 126.5 | 170 | -177.1 | 0 | 0 | 0 | 0 | 106.9 | K633 | K633-V635 VanDerWaalsContact C-N 3.26Å; K633-V635 PolarHBondContact O-N 2.94Å |
| 636 | P | 40 | Very low | 39.1 | Very low | 99 Ų | 99 | 142 Ų | 142 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | | | trans | -56.4 | 139.8 | 173.5 | -23.2 | 33.5 | 0 | 0 | 0 | 109.6 | L638 | P636-L638 PolarHBondContact O-N 2.9Š|
| 637 | P | 43.6 | Very low | 38.8 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -65.2 | 100.6 | 175.1 | 26.9 | -33.1 | 0 | 0 | 0 | 109 | A639 | P637-A639 PolarHBondContact O-N 3.06Š|
| 638 | L | 39.4 | Very low | 38.7 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -59.1 | 122.7 | 165.1 | -78.7 | 167.2 | 0 | 0 | 0 | 107.5 | P636 T640 | P636-L638 PolarHBondContact O-N 2.9Å; L638-T640 PolarHBondContact O-N 3.09Å; L638-T640 VanDerWaalsContact O-N 3.1Å |
| 639 | A | 34.1 | Very low | 38.8 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -73.1 | 103.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P637 E641 | P637-A639 PolarHBondContact O-N 3.06Å; A639-E641 PolarHBondContact O-N 3.13Å |
| 640 | T | 39.3 | Very low | 38.7 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -97.5 | 61.7 | 168.6 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | L638 E642 | L638-T640 PolarHBondContact O-N 3.09Å; L638-T640 VanDerWaalsContact O-N 3.1Å; T640-E642 VanDerWaalsContact C-N 3.26Å; T640-E642 PolarHBondContact O-N 2.9Å; T640-E642 VanDerWaalsContact O-N 3.13Å |
| 641 | E | 35 | Very low | 38.8 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | -72 | 88.6 | 151.5 | -80.6 | -160.4 | 113.1 | 0 | 0 | 108.3 | A639 | A639-E641 PolarHBondContact O-N 3.13Š|
| 642 | E | 36.7 | Very low | 38.8 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | | | trans | -163.1 | 99.4 | 148.3 | -105.5 | -42.4 | 147.6 | 0 | 0 | 110.8 | T640 | T640-E642 VanDerWaalsContact C-N 3.26Å; T640-E642 PolarHBondContact O-N 2.9Å; T640-E642 VanDerWaalsContact O-N 3.13Å |
| 643 | L | 36.9 | Very low | 38.3 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -177.1 | 74.3 | 145 | -129.6 | 74.5 | 0 | 0 | 0 | 110.8 | | |
| 644 | R | 34.5 | Very low | 38.3 | Very low | 239 Ų | 239 | 147.5 Ų | 147.5 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -150.2 | 41.9 | 172.8 | -135.6 | -175.5 | -165.6 | 109.5 | 1.4 | 117.6 | | |
| 645 | K | 38.1 | Very low | 38.1 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -150.7 | 152.7 | 161.5 | -103.9 | 150.3 | -175.6 | 174.4 | 0 | 110.3 | | |
| 646 | Q | 39.6 | Very low | 37.9 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | 70.5 | 131.4 | -160.8 | -45.5 | -178.6 | 29.4 | 0 | 0 | 111.2 | | |
| 647 | G | 34 | Very low | 37.9 | Very low | 66 Ų | 66 | 151.3 Ų | 151.3 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | | | cis | 88.1 | 133.1 | 16.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 648 | V | 37.9 | Very low | 37.8 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | | | cis | -156.5 | 135.8 | 18 | 160 | 0 | 0 | 0 | 0 | 109.6 | | |
| 649 | H | 38.3 | Very low | 37.9 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | | | trans | 60.5 | 164.4 | 175.7 | -55.9 | -42.4 | 0 | 0 | 0 | 115.5 | | |
| 650 | K | 37.2 | Very low | 38.3 | Very low | 202 Ų | 202 | 156.3 Ų | 156.3 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | | | cis | -150.5 | 153.3 | 10.9 | -149.2 | 170.3 | -172.4 | 176.1 | 0 | 108.8 | | |
| 651 | A | 38.9 | Very low | 38.2 | Very low | 91 Ų | 91 | 159.4 Ų | 159.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | -126.1 | 160.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 652 | P | 40.8 | Very low | 38.6 | Very low | 119 Ų | 119 | 156 Ų | 156 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -128.2 | 122.3 | 139.9 | 28.1 | -12.3 | 0 | 0 | 0 | 111 | | |
| 653 | L | 35.7 | Very low | 39 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | | 72.6 | 101.3 | 81.8 | -71.6 | 178.5 | 0 | 0 | 0 | 115.4 | | |
| 654 | H | 40.1 | Very low | 39.2 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | | | | -149.6 | 120.6 | 124 | -131.3 | -98.4 | 0 | 0 | 0 | 111.4 | | |
| 655 | E | 35.7 | Very low | 40.1 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | | | trans | 33.9 | 121.9 | 132.9 | -166.9 | 171.6 | -126.6 | 0 | 0 | 120.6 | | |
| 656 | F | 39.7 | Very low | 40.2 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | | -158.2 | 145.2 | 100.2 | -110.1 | -77 | 0 | 0 | 0 | 110.6 | | |
| 657 | A | 40.9 | Very low | 40.2 | Very low | 80 Ų | 80 | 138.4 Ų | 138.4 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | | | trans | -102.2 | 159.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 658 | L | 40.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | | 173.6 | 116 | 120.1 | -92.7 | 162.2 | 0 | 0 | 0 | 113.6 | | |
| 659 | K | 42.1 | Very low | 40.7 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | | | trans | 65.6 | 152.4 | 151.1 | -63.8 | 167.7 | -177.1 | 168.4 | 0 | 116.1 | | |
| 660 | Q | 42.4 | Very low | 40.9 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | cis | -157.2 | 133.7 | 14.7 | -146.2 | 167.5 | 9.6 | 0 | 0 | 111 | | |
| 661 | R | 36.6 | Very low | 41.2 | Very low | 201 Ų | 201 | 132.6 Ų | 132.6 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | | | trans | 50.4 | 141.4 | 144.9 | -62.9 | 178.1 | 85.7 | -126.1 | 2.3 | 119.4 | | |
| 662 | L | 43.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | | | cis | -163.8 | 161 | 10.1 | -154.8 | 65.1 | 0 | 0 | 0 | 110.7 | | |
| 663 | S | 46.8 | Very low | 41.7 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 74% | 0.735 | S | S | * | * | | | trans | 55 | 139.5 | 149.7 | 54.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 664 | D | 41.3 | Very low | 42 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | | | cis | -160.8 | 166.8 | -13 | -97.7 | -36.6 | 0 | 0 | 0 | 110.9 | | |
| 665 | P | 51.5 | Low | 42.4 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | trans | -123.9 | 165.2 | -162.4 | 42.3 | -31 | 0 | 0 | 0 | 117.5 | | |
| 666 | S | 40.2 | Very low | 42.8 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | | | trans | 176.7 | 164.7 | 147.4 | 53.4 | 0 | 0 | 0 | 0 | 109 | | |
| 667 | V | 41.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | | | cis | -146.1 | 136.3 | 22.8 | 158.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 668 | V | 41.5 | Very low | 43.1 | Very low | 117 Ų | 117 | 127 Ų | 127 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | | | trans | 38.9 | 110.1 | 146 | -178.7 | 0 | 0 | 0 | 0 | 120 | | |
| 669 | S | 39.5 | Very low | 43.2 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | | 76.9 | 157.1 | 90.6 | -41.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 670 | S | 42.3 | Very low | 43.1 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | | | cis | -157.5 | 156.1 | 23.8 | -54.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 671 | T | 43.5 | Very low | 43 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | 63.2 | 168.2 | 146.6 | 50.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 672 | T | 43.7 | Very low | 43.1 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | cis | -176 | 169.9 | -20.6 | 33.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 673 | S | 47.6 | Very low | 42.9 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | cis | 176.3 | 162.9 | -23.6 | -90.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 674 | D | 42.6 | Very low | 42.7 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | | | cis | -166.1 | 164.1 | -7.4 | -120.6 | -118 | 0 | 0 | 0 | 109.4 | | |
| 675 | Q | 48.4 | Very low | 42.8 | Very low | 159 Ų | 159 | 118.2 Ų | 118.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | 64.6 | 161.5 | 145.5 | -81.1 | 176 | 70.8 | 0 | 0 | 121.5 | | |
| 676 | N | 42.2 | Very low | 42.6 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 54% | 0.535 | 77% | 0.769 | S | S | . | * | | | cis | -157.1 | 169.7 | -20.9 | -140.4 | -28.1 | 0 | 0 | 0 | 111.8 | | |
| 677 | H | 46.1 | Very low | 42.9 | Very low | 167 Ų | 167 | 122 Ų | 122 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 45.8 | 146.6 | 157.4 | -54.5 | -44 | 0 | 0 | 0 | 121.7 | | |
| 678 | G | 42 | Very low | 43.1 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | cis | 117.2 | 111.8 | -12.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 679 | N | 41.2 | Very low | 43.5 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | -158.3 | 174 | 149.8 | -152.7 | -1.3 | 0 | 0 | 0 | 112.8 | | |
| 680 | K | 41.5 | Very low | 43.8 | Very low | 200 Ų | 200 | 123 Ų | 123 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | -123.9 | 161.3 | -169.1 | -63 | 176.6 | 176.3 | 177.6 | 0 | 114.5 | | |
| 681 | G | 38.9 | Very low | 43.9 | Very low | 84 Ų | 84 | 123 Ų | 123 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | | | trans | 115.9 | 146.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 682 | G | 38.7 | Very low | 44 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | cis | 159.3 | 110.5 | -13.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 683 | G | 40.2 | Very low | 44.1 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | | | trans | 88 | 155.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 684 | G | 42.4 | Very low | 43.7 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | 125.4 | 96.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 685 | D | 42.6 | Very low | 43.7 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -80 | 149.5 | 167.5 | -60.7 | -77.1 | 0 | 0 | 0 | 112.6 | | |
| 686 | Q | 48.6 | Very low | 43.6 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | | 161.2 | 154 | 119.2 | -89.3 | 163.2 | 100.5 | 0 | 0 | 114.6 | | |
| 687 | T | 46.5 | Very low | 43.9 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | 70.9 | 145.3 | 151.9 | -60.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 688 | A | 45.8 | Very low | 43.9 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 61% | 0.612 | 83% | 0.833 | S | S | * | * | | | cis | -171.8 | 178.1 | -33.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 689 | Q | 49.9 | Very low | 43.7 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 91% | 0.907 | 85% | 0.854 | S | S | * | * | | | trans | 62.6 | 117 | 157.4 | -62.7 | 174.8 | -4.6 | 0 | 0 | 119.8 | | |
| 690 | A | 45.2 | Very low | 43.8 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | | | | -174.2 | 158.5 | 117.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 691 | A | 45.4 | Very low | 43.9 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 85% | 0.851 | S | S | * | * | | | trans | 8 | 123.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 692 | Q | 43.9 | Very low | 44.2 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | | | cis | 55.5 | 103.8 | 46.9 | -58.8 | -172 | -21.4 | 0 | 0 | 116.1 | | |
| 693 | A | 46.5 | Very low | 44.5 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | | | trans | -168.6 | 125.1 | 131.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 694 | S | 39.2 | Very low | 44.8 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | | | trans | 21.7 | 117.5 | 150.7 | -158.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 695 | A | 43.3 | Very low | 45 | Very low | 110 Ų | 110 | 146 Ų | 146 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | | | trans | -145.1 | 100.7 | 145.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 696 | H | 45.7 | Very low | 45.1 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 89% | 0.889 | 85% | 0.85 | S | S | * | * | | | trans | -125 | 122.8 | -175.7 | -156.6 | -65.5 | 0 | 0 | 0 | 108.6 | | |
| 697 | G | 48.7 | Very low | 44.9 | Very low | 62 Ų | 62 | 143.5 Ų | 143.5 | 64% | 0.639 | 85% | 0.852 | S | S | * | * | | | trans | 159.3 | 119.5 | 175 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 698 | N | 45.9 | Very low | 44.7 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 91% | 0.914 | 85% | 0.854 | S | S | * | * | | | trans | 60.7 | 83.7 | 148.9 | -56.9 | -1.3 | 0 | 0 | 0 | 119.6 | | |
| 699 | R | 37.4 | Very low | 44.6 | Very low | 321 Ų | 321 | 150.5 Ų | 150.5 | 100% | 1.211 | 88% | 0.876 | S | S | * | * | | | | -144.5 | 0 | 110.7 | -161.4 | 170.1 | -167.1 | 160.3 | 7.5 | 110.8 | | |