| 1 | M | 38.1 | Very low | 44.4 | Very low | 242 Ų | 242 | 150.6 Ų | 150.6 | 100% | 1.192 | 84% | 0.837 | S | S | * | * | | | | 0 | 115.5 | 0 | -41.9 | -49.8 | -111.4 | 0 | 0 | 106.2 | | |
| 2 | G | 41.1 | Very low | 43.6 | Very low | 75 Ų | 75 | 148.9 Ų | 148.9 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | | | cis | 96.7 | 125.4 | 29.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 3 | K | 47.8 | Very low | 44.6 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | cis | -135.3 | 149.9 | 14.9 | -53 | 158.1 | -169.8 | 173.6 | 0 | 106.9 | | |
| 4 | L | 54.5 | Low | 44.6 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | | 56.6 | 149.6 | 55 | -77.7 | 178.7 | 0 | 0 | 0 | 115.7 | | |
| 5 | H | 46.2 | Very low | 44.5 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | | | trans | 81.5 | 96 | 173.9 | -30.8 | 110 | 0 | 0 | 0 | 117.7 | | |
| 6 | S | 37.5 | Very low | 44.9 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | | | | -143.4 | 135.2 | 115.7 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 7 | K | 53 | Low | 44.6 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | | | trans | -149.2 | 166.5 | 172.7 | -81.7 | -167.9 | 176.2 | -176 | 0 | 106.7 | | |
| 8 | H | 40.7 | Very low | 45.2 | Very low | 188 Ų | 188 | 149.7 Ų | 149.7 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | | | trans | 72 | 147.6 | -165.5 | -38.6 | -69.8 | 0 | 0 | 0 | 111.8 | | |
| 9 | A | 38.1 | Very low | 45.3 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | cis | -94.8 | 173.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 10 | A | 43.8 | Very low | 45.2 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | | | trans | -125.2 | 169.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 11 | I | 48 | Very low | 45.2 | Very low | 159 Ų | 159 | 146 Ų | 146 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | | | trans | 66.1 | 72 | 173 | -43.7 | 169.4 | 0 | 0 | 0 | 113.5 | | |
| 12 | C | 35.1 | Very low | 45.4 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 131.6 | 141.5 | -63.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 13 | K | 56.2 | Low | 45.8 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 157.2 | 167.3 | -73.3 | -170.6 | 175.5 | -173.2 | 0 | 109.7 | R15 | K13-R15 PolarHBondContact O-N 2.8Å; K13-R15 VanDerWaalsContact O-N 3.13Å |
| 14 | P | 43.9 | Very low | 45.8 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 122.2 | 162.2 | -22.9 | 33.9 | 0 | 0 | 0 | 108.9 | E16 | P14-E16 PolarHBondContact O-N 3.36Š|
| 15 | R | 44.1 | Very low | 45.1 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | | | trans | -74 | 110.6 | 171.6 | 170.7 | 177.3 | 156.1 | 102 | -3.2 | 106.7 | K13 S17 | K13-R15 PolarHBondContact O-N 2.8Å; K13-R15 VanDerWaalsContact O-N 3.13Å; R15-S17 PolarHBondContact O-N 3.25Å |
| 16 | E | 51 | Low | 44.6 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | -57.2 | 125.2 | 170.5 | -161.8 | 170.8 | 135.5 | 0 | 0 | 108.9 | P14 | P14-E16 PolarHBondContact O-N 3.36Š|
| 17 | S | 39.2 | Very low | 45.2 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 57% | 0.566 | 77% | 0.765 | S | S | * | * | | | trans | -70.9 | 137 | 174.6 | -63.1 | 0 | 0 | 0 | 0 | 109.1 | R15 E19 | R15-S17 PolarHBondContact O-N 3.25Å; S17-E19 PolarHBondContact O-N 2.78Å |
| 18 | P | 55.9 | Low | 44.9 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -74.6 | 15.6 | 175 | 34.7 | -37.1 | 0 | 0 | 0 | 112.9 | | |
| 19 | E | 46.5 | Very low | 45.3 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -102.2 | 96 | -173.5 | -71.9 | 166.6 | -149.5 | 0 | 0 | 108.6 | S17 D21 | S17-E19 PolarHBondContact O-N 2.78Å; E19-D21 PolarHBondContact O-N 2.85Å |
| 20 | G | 44.4 | Very low | 45.8 | Very low | 59 Ų | 59 | 128.3 Ų | 128.3 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | | | trans | -63.4 | 129.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | S22 | G20-S22 PolarHBondContact O-N 2.78Å; G20-S22 PolarHBondContact O-OG 3.08Å |
| 21 | D | 44.6 | Very low | 46.2 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | trans | -59.2 | 95.1 | -173.3 | -166.8 | 11.8 | 0 | 0 | 0 | 112.2 | E19 F23 | E19-D21 PolarHBondContact O-N 2.85Å; D21-F23 PolarHBondContact O-N 2.76Å |
| 22 | S | 42.6 | Very low | 46.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -97.6 | 80.3 | -163.7 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | G20 | G20-S22 PolarHBondContact O-N 2.78Å; G20-S22 PolarHBondContact O-OG 3.08Å |
| 23 | F | 50 | Low | 47.3 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | | | trans | -82.9 | 136.5 | 176.8 | 60.8 | -96.3 | 0 | 0 | 0 | 112.8 | D21 V25 | D21-F23 PolarHBondContact O-N 2.76Å; F23-V25 HydrophobicContact CD2-CG2 3.82Å; F23-V25 HydrophobicContact CE2-CG2 4.19Å |
| 24 | V | 45.7 | Very low | 47.3 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | | | trans | -101 | 105.5 | 170.4 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 25 | V | 40.9 | Very low | 47.9 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 53% | 0.527 | 71% | 0.705 | S | S | . | * | | | trans | -93.3 | 120.9 | 170.7 | 164.2 | 0 | 0 | 0 | 0 | 109.4 | F23 A27 A30 | F23-V25 HydrophobicContact CD2-CG2 3.82Å; F23-V25 HydrophobicContact CE2-CG2 4.19Å; V25-A27 PolarHBondContact O-N 3.06Å; V25-A30 HydrophobicContact CG1-CB 4.1Å |
| 26 | N | 35.1 | Very low | 48.2 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | | | trans | -68.4 | 120.4 | 168.5 | -173.2 | -12 | 0 | 0 | 0 | 109 | C28 | N26-C28 PolarHBondContact O-N 2.8Š|
| 27 | A | 50.4 | Low | 48.6 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 76% | 0.76 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -8.4 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V25 | V25-A27 PolarHBondContact O-N 3.06Š|
| 28 | C | 47.8 | Very low | 49.8 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -11 | -171.6 | -57.7 | 0 | 0 | 0 | 0 | 115.8 | N26 | N26-C28 PolarHBondContact O-N 2.8Š|
| 29 | L | 48.7 | Very low | 50.1 | Low | 169 Ų | 169 | 120 Ų | 120 | 89% | 0.885 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -136 | 39 | -167.1 | -69.7 | 175.7 | 0 | 0 | 0 | 115.7 | | |
| 30 | A | 47.9 | Very low | 50.8 | Low | 41 Ų | 41 | 118.6 Ų | 118.6 | 34% | 0.339 | 66% | 0.663 | S | S | . | * | | | trans | -134.6 | 10.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | V25 K32 G33 | V25-A30 HydrophobicContact CG1-CB 4.1Å; A30-K32 PolarHBondContact O-N 2.91Å; A30-G33 PolarHBondContact O-N 3.42Å; A30-G33 VanDerWaalsContact O-N 3.09Å |
| 31 | K | 52.5 | Low | 51.3 | Low | 218 Ų | 218 | 119.6 Ų | 119.6 | 95% | 0.948 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 23.9 | -176.1 | -118.6 | -174.3 | -173.7 | -177 | 0 | 116.5 | | |
| 32 | K | 54.4 | Low | 51.7 | Low | 189 Ų | 189 | 120 Ų | 120 | 82% | 0.822 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.1 | -2.1 | 175.6 | -162.2 | 170.4 | -179.7 | 178.2 | 0 | 113.7 | A30 | A30-K32 PolarHBondContact O-N 2.91Š|
| 33 | G | 52.3 | Low | 52 | Low | 48 Ų | 48 | 124 Ų | 124 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -22.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A30 | A30-G33 PolarHBondContact O-N 3.42Å; A30-G33 VanDerWaalsContact O-N 3.09Å |
| 34 | V | 55.1 | Low | 51.8 | Low | 90 Ų | 90 | 125.5 Ų | 125.5 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.7 | -40.2 | -176 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | W37 L38 | V34-W37 PolarHBondContact O-N 3.1Å; V34-L38 WeakPolarHBondContact O-CB 3.11Å; V34-L38 PolarHBondContact O-N 3.5Å |
| 35 | D | 56.7 | Low | 51.7 | Low | 103 Ų | 103 | 123 Ų | 123 | 55% | 0.551 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.6 | -42.8 | -175.3 | -50.5 | -89.2 | 0 | 0 | 0 | 112.5 | L38 V39 | D35-L38 PolarHBondContact O-N 3.43Å; D35-V39 VanDerWaalsContact O-CG2 3.25Å; D35-V39 WeakPolarHBondContact O-CG2 3.22Å; D35-V39 PolarHBondContact O-N 3.34Å |
| 36 | D | 51.6 | Low | 51.7 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.8 | -39.8 | 177.8 | -167.6 | 67.8 | 0 | 0 | 0 | 111.5 | K40 | D36-K40 WeakPolarHBondContact O-CB 3.34Å; D36-K40 PolarHBondContact O-N 3.45Å |
| 37 | W | 58.3 | Low | 51.8 | Low | 148 Ų | 148 | 123.8 Ų | 123.8 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.3 | -42.3 | 173.7 | -173.7 | 90.9 | 0 | 0 | 0 | 112.1 | V34 K40 Q41 | V34-W37 PolarHBondContact O-N 3.1Å; W37-K40 PolarHBondContact O-N 3.08Å; W37-Q41 HydrophobicContact CD2-CG 4.19Å; W37-Q41 HydrophobicContact CE3-CG 4.03Å; W37-Q41 HydrophobicContact CH2-CG 3.97Å; W37-Q41 HydrophobicContact CZ2-CG 4.12Å; W37-Q41 VanDerWaalsContact CZ2-NE2 3.33Å; W37-Q41 HydrophobicContact CZ3-CG 3.92Å; W37-Q41 WeakPolarHBondContact O-CG 3.47Å; W37-Q41 PolarHBondContact O-N 2.9Å |
| 38 | L | 65 | Low | 51 | Low | 108 Ų | 108 | 124.6 Ų | 124.6 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.4 | -39 | 179 | -173.4 | 63.6 | 0 | 0 | 0 | 112.4 | V34 D35 K40 K42 | V34-L38 WeakPolarHBondContact O-CB 3.11Å; V34-L38 PolarHBondContact O-N 3.5Å; D35-L38 PolarHBondContact O-N 3.43Å; L38-K40 VanDerWaalsContact C-N 3.32Å; L38-K42 PolarHBondContact O-N 3.42Å |
| 39 | V | 62.7 | Low | 50.4 | Low | 86 Ų | 86 | 130.2 Ų | 130.2 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -60.2 | -43.8 | 170.2 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | D35 K42 Y43 | D35-V39 VanDerWaalsContact O-CG2 3.25Å; D35-V39 WeakPolarHBondContact O-CG2 3.22Å; D35-V39 PolarHBondContact O-N 3.34Å; V39-K42 WeakPolarHBondContact O-CB 3.33Å; V39-K42 PolarHBondContact O-N 3.07Å; V39-Y43 HydrophobicContact CG1-CD2 4.49Å; V39-Y43 PolarHBondContact O-N 3.48Å |
| 40 | K | 59.4 | Low | 49.7 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | -179.2 | -160.5 | 170.2 | -173.4 | 174.7 | 0 | 112.7 | D36 W37 L38 K42 Y43 Y44 | D36-K40 WeakPolarHBondContact O-CB 3.34Å; D36-K40 PolarHBondContact O-N 3.45Å; W37-K40 PolarHBondContact O-N 3.08Å; L38-K40 VanDerWaalsContact C-N 3.32Å; K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 2.86Å; K40-Y43 PolarHBondContact O-N 3.45Å; K40-Y44 WeakPolarHBondContact O-CD2 3.15Å |
| 41 | Q | 55.4 | Low | 48.8 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 37% | 0.374 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -55.7 | -44.9 | 171.3 | -77.2 | -68.1 | -11 | 0 | 0 | 111.9 | W37 Y43 Y44 C45 | W37-Q41 HydrophobicContact CD2-CG 4.19Å; W37-Q41 HydrophobicContact CE3-CG 4.03Å; W37-Q41 HydrophobicContact CH2-CG 3.97Å; W37-Q41 HydrophobicContact CZ2-CG 4.12Å; W37-Q41 VanDerWaalsContact CZ2-NE2 3.33Å; W37-Q41 HydrophobicContact CZ3-CG 3.92Å; W37-Q41 WeakPolarHBondContact O-CG 3.47Å; W37-Q41 PolarHBondContact O-N 2.9Å; Q41-Y43 PolarHBondContact O-N 2.82Å; Q41-Y43 VanDerWaalsContact O-N 3.14Å; Q41-Y44 PolarHBondContact O-N 3.28Å; Q41-Y44 VanDerWaalsContact O-N 3.13Å; Q41-C45 PolarHBondContact O-N 3.24Å |
| 42 | K | 53.3 | Low | 47.8 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.9 | -22.8 | -177.3 | -157.2 | 172.5 | -174.4 | 177.8 | 0 | 113.9 | L38 V39 K40 T46 | L38-K42 PolarHBondContact O-N 3.42Å; V39-K42 WeakPolarHBondContact O-CB 3.33Å; V39-K42 PolarHBondContact O-N 3.07Å; K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 2.86Å; K42-T46 PolarHBondContact O-OG1 3.33Å |
| 43 | Y | 48.8 | Very low | 46.6 | Very low | 197 Ų | 197 | 130 Ų | 130 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -85.7 | -18.4 | 177 | -91.9 | -85.6 | 0 | 0 | 0 | 115.1 | V39 K40 Q41 | V39-Y43 HydrophobicContact CG1-CD2 4.49Å; V39-Y43 PolarHBondContact O-N 3.48Å; K40-Y43 PolarHBondContact O-N 3.45Å; Q41-Y43 PolarHBondContact O-N 2.82Å; Q41-Y43 VanDerWaalsContact O-N 3.14Å |
| 44 | Y | 45.1 | Very low | 45.3 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -98.6 | -26.9 | -178.4 | -82.2 | -86.9 | 0 | 0 | 0 | 114 | K40 Q41 | K40-Y44 WeakPolarHBondContact O-CD2 3.15Å; Q41-Y44 PolarHBondContact O-N 3.28Å; Q41-Y44 VanDerWaalsContact O-N 3.13Å |
| 45 | C | 43.6 | Very low | 44.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 63% | 0.628 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -91.4 | -15 | -173.8 | -66.4 | 0 | 0 | 0 | 0 | 115.6 | Q41 | Q41-C45 PolarHBondContact O-N 3.24Š|
| 46 | T | 42.2 | Very low | 42.9 | Very low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | | | trans | -107.7 | 66.3 | -177 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | K42 | K42-T46 PolarHBondContact O-OG1 3.33Š|
| 47 | S | 37.2 | Very low | 41.8 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | | | trans | -126.4 | 34.9 | 165.8 | -169 | 0 | 0 | 0 | 0 | 112.5 | | |
| 48 | S | 32.3 | Very low | 40.7 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -110.5 | 157 | 157.5 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 49 | R | 35.3 | Very low | 38.9 | Very low | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | | | trans | -92.2 | 134.4 | -153 | -137.2 | -179.4 | 170.9 | -107.7 | 4 | 113.3 | | |
| 50 | L | 34.4 | Very low | 37.3 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 61% | 0.607 | 72% | 0.717 | S | S | * | * | | | trans | 78 | 141.2 | 137.9 | -165.9 | 64 | 0 | 0 | 0 | 119.9 | | |
| 51 | E | 29.9 | Very low | 35.9 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | | | trans | 60.6 | 157.2 | 169.8 | -77.3 | 159.1 | 93.8 | 0 | 0 | 117.8 | | |
| 52 | Q | 31.3 | Very low | 34.7 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | | | cis | -168.8 | 169.2 | -41.1 | -176.2 | 164.3 | -5.2 | 0 | 0 | 105.6 | | |
| 53 | Q | 28.2 | Very low | 33.6 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | 75.9 | 140.1 | 175.6 | -54.6 | 178.9 | 8.1 | 0 | 0 | 115.2 | | |
| 54 | D | 26.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | | | cis | -148.9 | 167 | -26.2 | -143.6 | -26.2 | 0 | 0 | 0 | 110.7 | | |
| 55 | C | 30.1 | Very low | 32.2 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | | | trans | -99.2 | 139.6 | 174.7 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 56 | H | 29.6 | Very low | 31.8 | Very low | 167 Ų | 167 | 142 Ų | 142 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -157.4 | 119.9 | 143.9 | -95.5 | -75.6 | 0 | 0 | 0 | 108.9 | | |
| 57 | H | 30.1 | Very low | 31.5 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | | 66.8 | 135.9 | 84.3 | -70.2 | 100.2 | 0 | 0 | 0 | 113.1 | | |
| 58 | Q | 34.9 | Very low | 31.1 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | cis | -170.8 | 174.2 | -6.3 | -176.2 | 171.1 | 5.4 | 0 | 0 | 109.7 | | |
| 59 | S | 26.9 | Very low | 31.7 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 86.6 | 123.4 | 168 | -155.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 60 | N | 29.1 | Very low | 31.6 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | cis | 105.1 | 149.6 | 12.6 | -163 | 33.8 | 0 | 0 | 0 | 115.5 | | |
| 61 | C | 30.6 | Very low | 31.8 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | 73 | 143.8 | -175.4 | -57.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 62 | G | 28.6 | Very low | 32.3 | Very low | 62 Ų | 62 | 142.3 Ų | 142.3 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | | | cis | 157.2 | 163 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 63 | M | 31.5 | Very low | 32.7 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | 72.6 | 151.7 | 178.4 | -46 | -78.7 | 83.6 | 0 | 0 | 115.9 | | |
| 64 | T | 30.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | cis | -157.6 | 159.4 | -27.4 | 22.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 65 | A | 32.6 | Very low | 33.2 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | -94.7 | 158.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 66 | R | 36 | Very low | 33.3 | Very low | 250 Ų | 250 | 137 Ų | 137 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | | | | -169.9 | 152.1 | 127.6 | -109.1 | 174.2 | 179.8 | -133.8 | -7.8 | 114.9 | | |
| 67 | D | 36.4 | Very low | 33.6 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | trans | -73.4 | 153.2 | 174.3 | -76.8 | -70.9 | 0 | 0 | 0 | 114.2 | | |
| 68 | S | 28.1 | Very low | 34 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | -161.4 | 144.8 | 142.6 | -79.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 69 | L | 44.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -114.3 | 125.3 | -176.1 | 164.2 | 70.8 | 0 | 0 | 0 | 110.3 | | |
| 70 | V | 33.1 | Very low | 35.2 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -173.4 | 149.6 | 138.2 | -95.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | D | 40 | Very low | 35.6 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -90.2 | 147.1 | 168.9 | -178.1 | 50.5 | 0 | 0 | 0 | 109.8 | C73 | D71-C73 PolarHBondContact OD1-N 2.81Š|
| 72 | P | 39.1 | Very low | 36 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | | -144.5 | 145.2 | 101 | 37.3 | -22 | 0 | 0 | 0 | 116.2 | | |
| 73 | C | 39.5 | Very low | 36.5 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -7.1 | 127 | 154.2 | -168.5 | 0 | 0 | 0 | 0 | 118.2 | D71 | D71-C73 PolarHBondContact OD1-N 2.81Š|
| 74 | G | 30.8 | Very low | 36.9 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -149.5 | 139.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 75 | E | 35.8 | Very low | 37.9 | Very low | 206 Ų | 206 | 146.4 Ų | 146.4 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | | | trans | -92.6 | 144.6 | -174.9 | -162.4 | 169.5 | 126.2 | 0 | 0 | 111.6 | | |
| 76 | G | 30.9 | Very low | 38.3 | Very low | 65 Ų | 65 | 147.5 Ų | 147.5 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | 173.1 | 93.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I78 | G76-I78 PolarHBondContact O-N 3.39Š|
| 77 | I | 37 | Very low | 38.9 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | -78.2 | 109.5 | 167.4 | -54.7 | 172.5 | 0 | 0 | 0 | 107.4 | D79 | I77-D79 PolarHBondContact O-N 2.73Š|
| 78 | I | 37.6 | Very low | 39.1 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | -80.7 | 116.1 | 172.7 | 52.6 | 173.3 | 0 | 0 | 0 | 110.4 | G76 E80 | G76-I78 PolarHBondContact O-N 3.39Å; I78-E80 HydrophobicContact CD1-CG 4.23Å; I78-E80 HydrophobicContact CG1-CG 4.35Å; I78-E80 PolarHBondContact O-N 3.28Å; I78-E80 VanDerWaalsContact O-N 3.1Å |
| 79 | D | 44.6 | Very low | 39.7 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | | | trans | -79.7 | 80.5 | 177.1 | -178.6 | 25.6 | 0 | 0 | 0 | 110.4 | I77 H81 | I77-D79 PolarHBondContact O-N 2.73Å; D79-H81 PolarHBondContact O-N 3.09Å; D79-H81 IonicContact OD1-CE1 2.86Å; D79-H81 IonicContact OD1-ND1 3.45Å; D79-H81 PolarHBondContact OD1-ND1 3.48Å; D79-H81 IonicContact OD2-CE1 3.73Å; D79-H81 PolarHBondContact OD2-CE1 3.25Å; D79-H81 IonicContact OD2-ND1 3.27Å |
| 80 | E | 42.4 | Very low | 39.9 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 55% | 0.551 | 76% | 0.76 | S | S | * | * | | | trans | -83 | 98.5 | 176.6 | -69.9 | -66.8 | 158.1 | 0 | 0 | 110.3 | I78 Y82 | I78-E80 HydrophobicContact CD1-CG 4.23Å; I78-E80 HydrophobicContact CG1-CG 4.35Å; I78-E80 PolarHBondContact O-N 3.28Å; I78-E80 VanDerWaalsContact O-N 3.1Å; E80-Y82 VanDerWaalsContact O-CD2 3.29Å; E80-Y82 WeakPolarHBondContact O-CD2 3.41Å; E80-Y82 PolarHBondContact O-N 3.44Å |
| 81 | H | 38 | Very low | 40.4 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -64.5 | 92.7 | 178.9 | -72.7 | -20.2 | 0 | 0 | 0 | 112.9 | D79 R83 | D79-H81 PolarHBondContact O-N 3.09Å; D79-H81 IonicContact OD1-CE1 2.86Å; D79-H81 IonicContact OD1-ND1 3.45Å; D79-H81 PolarHBondContact OD1-ND1 3.48Å; D79-H81 IonicContact OD2-CE1 3.73Å; D79-H81 PolarHBondContact OD2-CE1 3.25Å; D79-H81 IonicContact OD2-ND1 3.27Å; H81-R83 PolarHBondContact O-N 3.34Å |
| 82 | Y | 38.3 | Very low | 40.3 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | -66.4 | 90.3 | 174.3 | -61.9 | -70.4 | 0 | 0 | 0 | 112.9 | E80 L84 | E80-Y82 VanDerWaalsContact O-CD2 3.29Å; E80-Y82 WeakPolarHBondContact O-CD2 3.41Å; E80-Y82 PolarHBondContact O-N 3.44Å; Y82-L84 PolarHBondContact O-N 2.95Å; Y82-L84 VanDerWaalsContact O-N 3.14Å |
| 83 | R | 39.4 | Very low | 40.5 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | -73.7 | 97.2 | 170.7 | 179.4 | 176.5 | 165.5 | 140.2 | -4.5 | 110.5 | H81 E85 | H81-R83 PolarHBondContact O-N 3.34Å; R83-E85 IonicContact CZ-OE1 2.74Å; R83-E85 IonicContact NE-OE1 3.29Å; R83-E85 PolarHBondContact NE-OE1 3.48Å; R83-E85 VanDerWaalsContact NE-OE1 3.14Å; R83-E85 IonicContact NH2-OE1 2.72Å; R83-E85 PolarHBondContact NH2-OE1 3.47Å; R83-E85 PolarHBondContact O-N 2.92Å |
| 84 | L | 41.1 | Very low | 40.1 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -67.7 | 124 | 169.8 | -91.6 | 67.8 | 0 | 0 | 0 | 110.6 | Y82 | Y82-L84 PolarHBondContact O-N 2.95Å; Y82-L84 VanDerWaalsContact O-N 3.14Å |
| 85 | E | 50.3 | Low | 40.2 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -110 | 126.3 | 161.4 | -67 | -169.4 | 160.6 | 0 | 0 | 108.9 | R83 | R83-E85 IonicContact CZ-OE1 2.74Å; R83-E85 IonicContact NE-OE1 3.29Å; R83-E85 PolarHBondContact NE-OE1 3.48Å; R83-E85 VanDerWaalsContact NE-OE1 3.14Å; R83-E85 IonicContact NH2-OE1 2.72Å; R83-E85 PolarHBondContact NH2-OE1 3.47Å; R83-E85 PolarHBondContact O-N 2.92Å |
| 86 | V | 42.5 | Very low | 39.8 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | | | trans | -103.6 | 106.7 | -178.5 | 179 | 0 | 0 | 0 | 0 | 108.3 | L88 | V86-L88 HydrophobicContact CG1-CD2 4.28Å; V86-L88 PolarHBondContact O-N 2.95Å |
| 87 | A | 47.8 | Very low | 40 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | -75.4 | 108.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 88 | L | 39.7 | Very low | 39.9 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 144.3 | 172 | -64.1 | 176.8 | 0 | 0 | 0 | 110.5 | V86 | V86-L88 HydrophobicContact CG1-CD2 4.28Å; V86-L88 PolarHBondContact O-N 2.95Å |
| 89 | P | 41.8 | Very low | 40 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 145.6 | 168 | -21.6 | 33.4 | 0 | 0 | 0 | 111.1 | E91 | P89-E91 PolarHBondContact O-N 3.11Š|
| 90 | P | 48.6 | Very low | 39.5 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.6 | -176.5 | 26.2 | -34.4 | 0 | 0 | 0 | 111.9 | | |
| 91 | E | 43.3 | Very low | 39 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 142.9 | 174.3 | -66.4 | -178 | 99.4 | 0 | 0 | 111.5 | P89 | P89-E91 PolarHBondContact O-N 3.11Š|
| 92 | K | 38.8 | Very low | 38.8 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | | | trans | -111 | 111.6 | 173.9 | -64.9 | -178.6 | -176.4 | 176.7 | 0 | 109.1 | D94 | K92-D94 PolarHBondContact O-N 3.18Š|
| 93 | T | 41.9 | Very low | 38.5 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | | | trans | -79.4 | 91.7 | 176.1 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | S95 | T93-S95 PolarHBondContact O-N 3.37Š|
| 94 | D | 31 | Very low | 38.3 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -89.6 | 89.8 | 168 | -84.4 | -47 | 0 | 0 | 0 | 110.5 | K92 | K92-D94 PolarHBondContact O-N 3.18Š|
| 95 | S | 33.8 | Very low | 38 | Very low | 113 Ų | 113 | 151.1 Ų | 151.1 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -88.6 | 124.7 | 172.5 | 59 | 0 | 0 | 0 | 0 | 111.3 | T93 | T93-S95 PolarHBondContact O-N 3.37Š|
| 96 | C | 28 | Very low | 37 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -148.2 | 124.8 | 160.9 | -163.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 97 | C | 33.6 | Very low | 36.4 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -91.9 | 141.5 | 174.9 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 98 | V | 36 | Very low | 35.7 | Very low | 139 Ų | 139 | 158 Ų | 158 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | -135.7 | 115.8 | 158.1 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 99 | E | 38.6 | Very low | 35.5 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | -82.2 | 145.5 | 161.2 | -67.2 | -178.9 | 77.4 | 0 | 0 | 109.3 | | |
| 100 | E | 33.7 | Very low | 35.4 | Very low | 150 Ų | 150 | 157 Ų | 157 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | | -173.7 | 135.9 | 110.3 | -96.7 | -147.3 | 67.6 | 0 | 0 | 114.8 | | |
| 101 | K | 33.2 | Very low | 34.8 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 68% | 0.683 | 82% | 0.824 | S | S | * | * | | | trans | 43.4 | 100.8 | 145.3 | -64.7 | -170.2 | -171.9 | 114.3 | 0 | 121.8 | | |
| 102 | M | 32.7 | Very low | 34.3 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | | | | 55.4 | 108.1 | 99.3 | -173.8 | -179.6 | 71.4 | 0 | 0 | 119.4 | | |
| 103 | Q | 33.7 | Very low | 34.4 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | | | trans | -136.6 | 152.2 | 134 | -156.6 | 169.5 | 44.8 | 0 | 0 | 111.5 | | |
| 104 | K | 34.6 | Very low | 34.2 | Very low | 167 Ų | 167 | 150 Ų | 150 | 73% | 0.726 | 81% | 0.814 | S | S | * | * | | | trans | -117.3 | 130.3 | -164.3 | 166.4 | -168.8 | 173.7 | -179.3 | 0 | 111.7 | | |
| 105 | R | 33.5 | Very low | 34.8 | Very low | 243 Ų | 243 | 151.5 Ų | 151.5 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | | | trans | -158.5 | 136.9 | 142.5 | -134.7 | 171.6 | -171.4 | -107.3 | 1 | 113.7 | | |
| 106 | D | 30 | Very low | 35 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -72.1 | 141.9 | 178.5 | -59.2 | -105.5 | 0 | 0 | 0 | 113.5 | | |
| 107 | S | 30.8 | Very low | 35.7 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -148.9 | 142.4 | 136.5 | 64.7 | 0 | 0 | 0 | 0 | 109 | | |
| 108 | R | 32.5 | Very low | 35.8 | Very low | 253 Ų | 253 | 156.2 Ų | 156.2 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | | | trans | -139.7 | 108.7 | -167.5 | -169.8 | -171.5 | -163 | -164 | 7.9 | 111 | | |
| 109 | S | 35.8 | Very low | 35.9 | Very low | 117 Ų | 117 | 157.8 Ų | 157.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -148.8 | 159.4 | 164.3 | 66.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 110 | P | 40.2 | Very low | 36 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -110.6 | 159.3 | -143.9 | 39.9 | -35.6 | 0 | 0 | 0 | 117 | | |
| 111 | A | 36 | Very low | 36.2 | Very low | 106 Ų | 106 | 158 Ų | 158 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | | | trans | 50.3 | 94.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 112 | G | 32.3 | Very low | 36.9 | Very low | 58 Ų | 58 | 158.3 Ų | 158.3 | 60% | 0.598 | 81% | 0.807 | S | S | * | * | | | trans | -145.2 | 125.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q114 | G112-Q114 PolarHBondContact O-N 3.07Š|
| 113 | P | 40.3 | Very low | 37.2 | Very low | 131 Ų | 131 | 158.3 Ų | 158.3 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -74.1 | 82.2 | 172 | 31.4 | -32.8 | 0 | 0 | 0 | 108.2 | K115 | P113-K115 PolarHBondContact O-N 3.07Š|
| 114 | Q | 38.8 | Very low | 37.6 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -59.1 | 105.8 | 164.2 | -75.2 | -169.3 | -15.4 | 0 | 0 | 107 | G112 Q116 | G112-Q114 PolarHBondContact O-N 3.07Å; Q114-Q116 PolarHBondContact O-N 3.04Å |
| 115 | K | 43.5 | Very low | 38.2 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | trans | -64.4 | 90.2 | 160 | -69.9 | -177.8 | -179.5 | 179.2 | 0 | 105.5 | P113 L117 | P113-K115 PolarHBondContact O-N 3.07Å; K115-L117 PolarHBondContact O-N 3.36Å |
| 116 | Q | 36.8 | Very low | 38.6 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | -54 | 99.8 | 160.8 | 179.6 | 177.6 | 0.4 | 0 | 0 | 105.3 | Q114 Q118 | Q114-Q116 PolarHBondContact O-N 3.04Å; Q116-Q118 VanDerWaalsContact C-N 3.35Å; Q116-Q118 PolarHBondContact O-N 3.49Å |
| 117 | L | 42.8 | Very low | 39.2 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | trans | -59.1 | 109.7 | 166.8 | -67 | 176.3 | 0 | 0 | 0 | 104.1 | K115 F119 | K115-L117 PolarHBondContact O-N 3.36Å; L117-F119 HydrophobicContact CB-CD2 4.37Å; L117-F119 HydrophobicContact CB-CE2 4.21Å; L117-F119 PolarHBondContact O-N 3.48Å |
| 118 | Q | 36.6 | Very low | 39.8 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -66.6 | 99.8 | 163.2 | -69 | -157.5 | 5.5 | 0 | 0 | 104.9 | Q116 E120 | Q116-Q118 VanDerWaalsContact C-N 3.35Å; Q116-Q118 PolarHBondContact O-N 3.49Å; Q118-E120 PolarHBondContact O-N 2.7Å |
| 119 | F | 37.7 | Very low | 40.3 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | -62.1 | 79.5 | 150.5 | -70.5 | -94.9 | 0 | 0 | 0 | 105.9 | L117 E121 | L117-F119 HydrophobicContact CB-CD2 4.37Å; L117-F119 HydrophobicContact CB-CE2 4.21Å; L117-F119 PolarHBondContact O-N 3.48Å; F119-E121 PolarHBondContact O-N 2.82Å |
| 120 | E | 41.5 | Very low | 40.8 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -68 | 74.7 | 141.9 | -165.7 | 152.4 | -163.2 | 0 | 0 | 104.8 | Q118 L122 | Q118-E120 PolarHBondContact O-N 2.7Å; E120-L122 PolarHBondContact O-N 3.43Å; E120-L122 VanDerWaalsContact O-N 3.12Å |
| 121 | E | 36.8 | Very low | 41.1 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -54.3 | 115.1 | 172.1 | -179.5 | 170.8 | 179 | 0 | 0 | 105.3 | F119 E123 | F119-E121 PolarHBondContact O-N 2.82Å; E121-E123 PolarHBondContact O-N 3.25Å |
| 122 | L | 48.9 | Very low | 41.8 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | | | trans | -64.5 | 89.8 | 176.8 | -88 | 163 | 0 | 0 | 0 | 107.1 | E120 C124 | E120-L122 PolarHBondContact O-N 3.43Å; E120-L122 VanDerWaalsContact O-N 3.12Å; L122-C124 VanDerWaalsContact C-N 3.35Å; L122-C124 PolarHBondContact O-N 3.01Å; L122-C124 PolarHBondContact O-SG 3.41Å |
| 123 | E | 37.9 | Very low | 43.1 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | | | trans | -55.5 | 99.5 | -172.9 | -174 | 178.9 | -176.5 | 0 | 0 | 107.8 | E121 A125 | E121-E123 PolarHBondContact O-N 3.25Å; E123-A125 PolarHBondContact O-N 3.3Å |
| 124 | C | 42.2 | Very low | 44.3 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | trans | -72.2 | 82.7 | 172.8 | -73.1 | 0 | 0 | 0 | 0 | 105.9 | L122 V126 | L122-C124 VanDerWaalsContact C-N 3.35Å; L122-C124 PolarHBondContact O-N 3.01Å; L122-C124 PolarHBondContact O-SG 3.41Å; C124-V126 PolarHBondContact O-N 2.69Å |
| 125 | A | 47.3 | Very low | 45.7 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 63% | 0.628 | 72% | 0.723 | S | S | * | * | | | trans | -66.8 | 65.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E123 S127 | E123-A125 PolarHBondContact O-N 3.3Å; A125-S127 PolarHBondContact O-N 3.18Å |
| 126 | V | 41.7 | Very low | 47.1 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | | | trans | -78 | 68.6 | 159.8 | -173.7 | 0 | 0 | 0 | 0 | 105.6 | C124 V128 | C124-V126 PolarHBondContact O-N 2.69Å; V126-V128 PolarHBondContact O-N 2.94Å; V126-V128 VanDerWaalsContact O-N 3.1Å |
| 127 | S | 42.4 | Very low | 49.1 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 52% | 0.524 | 72% | 0.717 | S | S | . | * | | | trans | -63.3 | 113.2 | 171.5 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | A125 E129 | A125-S127 PolarHBondContact O-N 3.18Å; S127-E129 WeakPolarHBondContact CB-OE2 3.29Å; S127-E129 PolarHBondContact O-N 2.78Å; S127-E129 PolarHBondContact OG-OE2 3.48Å |
| 128 | V | 44.5 | Very low | 50.8 | Low | 136 Ų | 136 | 140.8 Ų | 140.8 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | | | trans | -79.9 | 70.3 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | V126 | V126-V128 PolarHBondContact O-N 2.94Å; V126-V128 VanDerWaalsContact O-N 3.1Å |
| 129 | E | 43.1 | Very low | 53 | Low | 136 Ų | 136 | 137.8 Ų | 137.8 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | trans | -56.7 | 135.9 | 161.1 | -97.9 | 72 | -124 | 0 | 0 | 108.9 | S127 D131 | S127-E129 WeakPolarHBondContact CB-OE2 3.29Å; S127-E129 PolarHBondContact O-N 2.78Å; S127-E129 PolarHBondContact OG-OE2 3.48Å; E129-D131 PolarHBondContact O-N 3.06Å |
| 130 | E | 44.5 | Very low | 55.1 | Low | 208 Ų | 208 | 133.1 Ų | 133.1 | 97% | 0.972 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -77.4 | 55.3 | -177.8 | -160.1 | -174.1 | 169 | 0 | 0 | 112.3 | | |
| 131 | D | 47.9 | Very low | 57.1 | Low | 89 Ų | 89 | 133 Ų | 133 | 48% | 0.476 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -128.7 | 141.2 | 168.4 | -167.8 | -4.5 | 0 | 0 | 0 | 109.1 | E129 R133 | E129-D131 PolarHBondContact O-N 3.06Å; D131-R133 HydrophobicContact CB-CG 4.21Å; D131-R133 PolarHBondContact O-N 2.59Å; D131-R133 IonicContact OD2-CZ 3.51Å; D131-R133 IonicContact OD2-NE 3.71Å; D131-R133 PolarHBondContact OD2-NE 2.81Å; D131-R133 IonicContact OD2-NH2 3.41Å; D131-R133 PolarHBondContact OD2-NH2 3.13Å |
| 132 | N | 49.5 | Very low | 59.4 | Low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | | | trans | -79.5 | 56 | -175.2 | -171.7 | 95 | 0 | 0 | 0 | 110.8 | | |
| 133 | R | 59.2 | Low | 61 | Low | 162 Ų | 162 | 129.9 Ų | 129.9 | 61% | 0.611 | 66% | 0.658 | S | S | * | * | | | trans | -93.9 | 116.2 | 174.4 | -59.9 | -176.9 | -170.9 | 173.6 | 12.9 | 108.5 | D131 E135 | D131-R133 HydrophobicContact CB-CG 4.21Å; D131-R133 PolarHBondContact O-N 2.59Å; D131-R133 IonicContact OD2-CZ 3.51Å; D131-R133 IonicContact OD2-NE 3.71Å; D131-R133 PolarHBondContact OD2-NE 2.81Å; D131-R133 IonicContact OD2-NH2 3.41Å; D131-R133 PolarHBondContact OD2-NH2 3.13Å; R133-E135 HydrophobicContact CB-CG 3.83Å; R133-E135 PolarHBondContact O-N 3.19Å |
| 134 | Q | 66 | Low | 63.4 | Low | 155 Ų | 155 | 126.1 Ų | 126.1 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | | | trans | -77.6 | 71.7 | 170.1 | -66.8 | 179.3 | -27 | 0 | 0 | 108.6 | W136 | Q134-W136 PolarHBondContact O-NE1 3.12Š|
| 135 | E | 68.7 | Low | 65.4 | Low | 117 Ų | 117 | 127.3 Ų | 127.3 | 55% | 0.547 | 64% | 0.642 | S | S | . | * | | | trans | -78.3 | 128.3 | 171.9 | -55.5 | -150 | -173.4 | 0 | 0 | 108.9 | R133 K182 | R133-E135 HydrophobicContact CB-CG 3.83Å; R133-E135 PolarHBondContact O-N 3.19Å; E135-K182 IonicContact OE2-NZ 3.69Å; E135-K182 PolarHBondContact OE2-NZ 2.84Å |
| 136 | W | 72 | Confident | 67.2 | Low | 192 Ų | 192 | 127.5 Ų | 127.5 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | | | trans | -115.9 | 113.7 | -177.3 | -63.2 | 95.6 | 0 | 0 | 0 | 109.4 | Q134 F138 | Q134-W136 PolarHBondContact O-NE1 3.12Å; W136-F138 HydrophobicContact CB-CE2 3.74Å; W136-F138 HydrophobicContact CB-CZ 4.14Å |
| 137 | T | 79.8 | Confident | 69.2 | Low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 63% | 0.632 | S | S | * | * | | | trans | -90.4 | 127.6 | 177.3 | -58 | 0 | 0 | 0 | 0 | 110 | | |
| 138 | F | 77.6 | Confident | 71.2 | Confident | 115 Ų | 115 | 127.1 Ų | 127.1 | 50% | 0.504 | 63% | 0.631 | S | S | . | * | | | trans | -116.3 | 120.5 | 176.2 | -63 | -88.9 | 0 | 0 | 0 | 109.5 | W136 L157 I161 | W136-F138 HydrophobicContact CB-CE2 3.74Å; W136-F138 HydrophobicContact CB-CZ 4.14Å; F138-L157 HydrophobicContact CB-CD1 4.28Å; F138-L157 HydrophobicContact CB-CD2 4.21Å; F138-L157 HydrophobicContact CD1-CD1 4.08Å; F138-L157 HydrophobicContact CG-CD1 4.2Å; F138-I161 HydrophobicContact CD2-CD1 4.07Å; F138-I161 HydrophobicContact CE1-CD1 4.45Å; F138-I161 HydrophobicContact CE1-CG1 4.43Å; F138-I161 HydrophobicContact CE2-CD1 3.73Å; F138-I161 HydrophobicContact CE2-CG1 4.3Å; F138-I161 HydrophobicContact CZ-CD1 3.94Å; F138-I161 HydrophobicContact CZ-CG1 4.01Å |
| 139 | T | 84 | Confident | 73.2 | Confident | 99 Ų | 99 | 124.2 Ų | 124.2 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | | | trans | -97.4 | 122.1 | 172.7 | -54.7 | 0 | 0 | 0 | 0 | 108.9 | Y141 | T139-Y141 HydrophobicContact CG2-CE2 4.49Š|
| 140 | L | 82.4 | Confident | 75.4 | Confident | 74 Ų | 74 | 119.5 Ų | 119.5 | 39% | 0.387 | 59% | 0.594 | S | S | . | * | | | trans | -88.7 | 143.5 | 171.6 | -69 | 173.6 | 0 | 0 | 0 | 109.9 | V149 I154 L157 | L140-V149 HydrophobicContact CD1-CG1 3.8Å; L140-I154 HydrophobicContact CD1-CD1 3.82Å; L140-L157 HydrophobicContact CD1-CD2 4.12Å; L140-L157 HydrophobicContact CD2-CB 4.49Å; L140-L157 HydrophobicContact CD2-CD2 4.17Å; L140-L157 HydrophobicContact CG-CD2 4.21Å |
| 141 | Y | 82 | Confident | 77.6 | Confident | 169 Ų | 169 | 118.6 Ų | 118.6 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | | | trans | -111.8 | 139.9 | 178.2 | -66.8 | -83.8 | 0 | 0 | 0 | 110.3 | T139 F143 | T139-Y141 HydrophobicContact CG2-CE2 4.49Å; Y141-F143 VanDerWaalsContact O-CD2 3.23Å; Y141-F143 WeakPolarHBondContact O-CD2 3.39Å; Y141-F143 PolarHBondContact O-N 3.38Å; Y141-F143 VanDerWaalsContact O-N 3.12Å |
| 142 | D | 85.4 | Confident | 79.8 | Confident | 76 Ų | 76 | 119.6 Ų | 119.6 | 41% | 0.406 | 58% | 0.583 | S | S | . | * | | | trans | -76 | 92 | 177 | -177.9 | 5.6 | 0 | 0 | 0 | 110.1 | N145 N146 G147 | D142-N145 WeakPolarHBondContact OD1-CA 3.3Å; D142-N145 PolarHBondContact OD1-N 3.32Å; D142-N145 WeakPolarHBondContact OD2-CA 3.37Å; D142-N146 PolarHBondContact OD1-N 3.43Å; D142-N146 PolarHBondContact OD2-N 2.77Å; D142-G147 WeakPolarHBondContact OD2-CA 3.36Å; D142-G147 PolarHBondContact OD2-N 2.8Å |
| 143 | F | 82.8 | Confident | 81.7 | Confident | 182 Ų | 182 | 115.3 Ų | 115.3 | 80% | 0.798 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -83.5 | -29.6 | -179.6 | -70.5 | -74.9 | 0 | 0 | 0 | 113.1 | Y141 N145 | Y141-F143 VanDerWaalsContact O-CD2 3.23Å; Y141-F143 WeakPolarHBondContact O-CD2 3.39Å; Y141-F143 PolarHBondContact O-N 3.38Å; Y141-F143 VanDerWaalsContact O-N 3.12Å; F143-N145 PolarHBondContact O-ND2 2.56Å |
| 144 | D | 87.4 | Confident | 83.2 | Confident | 90 Ų | 90 | 109 Ų | 109 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -91 | -0.5 | 179.4 | 66.3 | -30.9 | 0 | 0 | 0 | 113.4 | N146 | D144-N146 PolarHBondContact O-N 3.32Å; D144-N146 WeakPolarHBondContact OD2-CB 3.35Å; D144-N146 PolarHBondContact OD2-ND2 3.32Å |
| 145 | N | 84.9 | Confident | 84.4 | Confident | 139 Ų | 139 | 105.1 Ų | 105.1 | 74% | 0.743 | 53% | 0.526 | S | S | * | . | | | trans | 61.1 | 32.1 | 177.5 | -62 | -112.9 | 0 | 0 | 0 | 112.3 | D142 F143 | D142-N145 WeakPolarHBondContact OD1-CA 3.3Å; D142-N145 PolarHBondContact OD1-N 3.32Å; D142-N145 WeakPolarHBondContact OD2-CA 3.37Å; F143-N145 PolarHBondContact O-ND2 2.56Å |
| 146 | N | 85.1 | Confident | 85.5 | Confident | 80 Ų | 80 | 102.9 Ų | 102.9 | 43% | 0.428 | 52% | 0.522 | S | S | . | . | | | trans | -92.1 | -4.6 | -173.9 | -111.9 | -37.4 | 0 | 0 | 0 | 113.2 | D142 D144 K148 | D142-N146 PolarHBondContact OD1-N 3.43Å; D142-N146 PolarHBondContact OD2-N 2.77Å; D144-N146 PolarHBondContact O-N 3.32Å; D144-N146 WeakPolarHBondContact OD2-CB 3.35Å; D144-N146 PolarHBondContact OD2-ND2 3.32Å; N146-K148 HydrophobicContact CB-CD 4.23Å; N146-K148 HydrophobicContact CB-CG 4.19Å; N146-K148 PolarHBondContact ND2-NZ 3.44Å; N146-K148 PolarHBondContact O-N 3.47Å; N146-K148 PolarHBondContact OD1-NZ 2.83Å |
| 147 | G | 83.8 | Confident | 86.4 | Confident | 64 Ų | 64 | 95.2 Ų | 95.2 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 65 | 16.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D142 | D142-G147 WeakPolarHBondContact OD2-CA 3.36Å; D142-G147 PolarHBondContact OD2-N 2.8Å |
| 148 | K | 85.2 | Confident | 87 | Confident | 112 Ų | 112 | 91.9 Ų | 91.9 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -147.1 | 143 | -172.9 | 75.4 | -154.7 | 179.4 | -147.4 | 0 | 109.9 | N146 | N146-K148 HydrophobicContact CB-CD 4.23Å; N146-K148 HydrophobicContact CB-CG 4.19Å; N146-K148 PolarHBondContact ND2-NZ 3.44Å; N146-K148 PolarHBondContact O-N 3.47Å; N146-K148 PolarHBondContact OD1-NZ 2.83Å |
| 149 | V | 86.3 | Confident | 87.7 | Confident | 75 Ų | 75 | 92.2 Ų | 92.2 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | | | trans | -89.4 | 127.3 | 166.8 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | L140 D153 I154 | L140-V149 HydrophobicContact CD1-CG1 3.8Å; V149-D153 HydrophobicContact CG1-CB 3.91Å; V149-I154 HydrophobicContact CG1-CD1 3.72Å; V149-I154 HydrophobicContact CG1-CG1 3.89Å |
| 150 | T | 89.4 | Confident | 88.1 | Confident | 37 Ų | 37 | 91.3 Ų | 91.3 | 23% | 0.227 | 47% | 0.47 | C | S | . | . | | | trans | -83.5 | 170.1 | 179.4 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | E152 D153 I154 | T150-E152 WeakPolarHBondContact CB-OE2 3.49Å; T150-E152 PolarHBondContact O-N 2.87Å; T150-E152 PolarHBondContact OG1-N 3.21Å; T150-D153 WeakPolarHBondContact CA-OD2 3.02Å; T150-D153 VanDerWaalsContact CB-OD2 3.3Å; T150-D153 WeakPolarHBondContact CB-OD2 3.24Å; T150-D153 PolarHBondContact N-OD2 3.35Å; T150-D153 PolarHBondContact OG1-N 2.83Å; T150-D153 VanDerWaalsContact OG1-N 3.13Å; T150-D153 PolarHBondContact OG1-OD2 2.93Å; T150-I154 PolarHBondContact O-N 3.02Å |
| 151 | R | 91.1 | Very high | 88.4 | Confident | 189 Ų | 189 | 89.2 Ų | 89.2 | 71% | 0.713 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64 | -37.2 | 171.3 | 169.5 | -170.7 | -62.9 | -94.8 | -1.5 | 109.7 | I154 T155 | R151-I154 PolarHBondContact O-N 2.75Å; R151-T155 HydrophobicContact CG-CG2 4.39Å; R151-T155 PolarHBondContact O-N 2.91Å; R151-T155 PolarHBondContact O-OG1 2.89Å; R151-T155 VanDerWaalsContact O-OG1 3.14Å |
| 152 | E | 93 | Very high | 88.7 | Confident | 110 Ų | 110 | 88.6 Ų | 88.6 | 51% | 0.514 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | -173.8 | -65.5 | 57.6 | -132.4 | 0 | 0 | 110.3 | T150 T155 S156 | T150-E152 WeakPolarHBondContact CB-OE2 3.49Å; T150-E152 PolarHBondContact O-N 2.87Å; T150-E152 PolarHBondContact OG1-N 3.21Å; E152-T155 VanDerWaalsContact CA-OG1 3.3Å; E152-T155 WeakPolarHBondContact CA-OG1 3.45Å; E152-T155 PolarHBondContact O-N 2.86Å; E152-T155 PolarHBondContact O-OG1 3.49Å; E152-S156 WeakPolarHBondContact O-CB 3.42Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.29Å |
| 153 | D | 89.8 | Confident | 89 | Confident | 63 Ų | 63 | 91 Ų | 91 | 34% | 0.337 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 173.1 | -56 | -48.2 | 0 | 0 | 0 | 111.8 | V149 T150 T155 S156 L157 | V149-D153 HydrophobicContact CG1-CB 3.91Å; T150-D153 WeakPolarHBondContact CA-OD2 3.02Å; T150-D153 VanDerWaalsContact CB-OD2 3.3Å; T150-D153 WeakPolarHBondContact CB-OD2 3.24Å; T150-D153 PolarHBondContact N-OD2 3.35Å; T150-D153 PolarHBondContact OG1-N 2.83Å; T150-D153 VanDerWaalsContact OG1-N 3.13Å; T150-D153 PolarHBondContact OG1-OD2 2.93Å; D153-T155 VanDerWaalsContact C-N 3.34Å; D153-T155 PolarHBondContact O-N 3.14Å; D153-S156 PolarHBondContact O-N 3.45Å; D153-L157 PolarHBondContact O-N 3.46Å |
| 154 | I | 91.2 | Very high | 89.4 | Confident | 29 Ų | 29 | 86.8 Ų | 86.8 | 15% | 0.149 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.4 | -63.4 | -58.4 | 0 | 0 | 0 | 110.9 | L140 V149 T150 R151 S156 L158 L183 | L140-I154 HydrophobicContact CD1-CD1 3.82Å; V149-I154 HydrophobicContact CG1-CD1 3.72Å; V149-I154 HydrophobicContact CG1-CG1 3.89Å; T150-I154 PolarHBondContact O-N 3.02Å; R151-I154 PolarHBondContact O-N 2.75Å; I154-S156 VanDerWaalsContact C-N 3.33Å; I154-S156 PolarHBondContact O-N 3.37Å; I154-L158 HydrophobicContact CG2-CD1 3.97Å; I154-L158 WeakPolarHBondContact O-CB 3.14Å; I154-L158 VanDerWaalsContact O-CG 3.29Å; I154-L158 WeakPolarHBondContact O-CG 3.28Å; I154-L158 PolarHBondContact O-N 3.48Å; I154-L183 HydrophobicContact CD1-CD1 4.16Å; I154-L183 HydrophobicContact CD1-CD2 4.03Å; I154-L183 HydrophobicContact CG1-CD2 4.43Å; I154-L183 HydrophobicContact CG2-CD2 3.62Å |
| 155 | T | 91.6 | Very high | 89.3 | Confident | 74 Ų | 74 | 84.4 Ų | 84.4 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.4 | -33.8 | 176.6 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | R151 E152 D153 L158 H159 | R151-T155 HydrophobicContact CG-CG2 4.39Å; R151-T155 PolarHBondContact O-N 2.91Å; R151-T155 PolarHBondContact O-OG1 2.89Å; R151-T155 VanDerWaalsContact O-OG1 3.14Å; E152-T155 VanDerWaalsContact CA-OG1 3.3Å; E152-T155 WeakPolarHBondContact CA-OG1 3.45Å; E152-T155 PolarHBondContact O-N 2.86Å; E152-T155 PolarHBondContact O-OG1 3.49Å; D153-T155 VanDerWaalsContact C-N 3.34Å; D153-T155 PolarHBondContact O-N 3.14Å; T155-L158 PolarHBondContact O-N 2.73Å; T155-H159 WeakPolarHBondContact O-CB 3.3Å; T155-H159 PolarHBondContact O-N 3.19Å |
| 156 | S | 91.6 | Very high | 89.3 | Confident | 69 Ų | 69 | 82.5 Ų | 82.5 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | E152 D153 I154 H159 T160 | E152-S156 WeakPolarHBondContact O-CB 3.42Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.29Å; D153-S156 PolarHBondContact O-N 3.45Å; I154-S156 VanDerWaalsContact C-N 3.33Å; I154-S156 PolarHBondContact O-N 3.37Å; S156-H159 PolarHBondContact O-N 2.88Å; S156-T160 WeakPolarHBondContact O-CB 3.49Å; S156-T160 PolarHBondContact O-N 2.93Å; S156-T160 PolarHBondContact O-OG1 3.43Å |
| 157 | L | 91.3 | Very high | 89.4 | Confident | 32 Ų | 32 | 83 Ų | 83 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 171 | 175.8 | 62.8 | 0 | 0 | 0 | 110.9 | F138 L140 D153 H159 T160 I161 | F138-L157 HydrophobicContact CB-CD1 4.28Å; F138-L157 HydrophobicContact CB-CD2 4.21Å; F138-L157 HydrophobicContact CD1-CD1 4.08Å; F138-L157 HydrophobicContact CG-CD1 4.2Å; L140-L157 HydrophobicContact CD1-CD2 4.12Å; L140-L157 HydrophobicContact CD2-CB 4.49Å; L140-L157 HydrophobicContact CD2-CD2 4.17Å; L140-L157 HydrophobicContact CG-CD2 4.21Å; D153-L157 PolarHBondContact O-N 3.46Å; L157-H159 PolarHBondContact O-N 2.93Å; L157-T160 PolarHBondContact O-N 3.37Å; L157-I161 HydrophobicContact CD1-CD1 3.95Å; L157-I161 HydrophobicContact CD1-CG1 4.39Å; L157-I161 HydrophobicContact CG-CD1 3.94Å; L157-I161 WeakPolarHBondContact O-CG1 3.49Å; L157-I161 PolarHBondContact O-N 3.48Å |
| 158 | L | 90.9 | Very high | 89.1 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 27% | 0.267 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 179.4 | -72.8 | 171.7 | 0 | 0 | 0 | 112.2 | I154 T155 T160 I161 Y162 V181 | I154-L158 HydrophobicContact CG2-CD1 3.97Å; I154-L158 WeakPolarHBondContact O-CB 3.14Å; I154-L158 VanDerWaalsContact O-CG 3.29Å; I154-L158 WeakPolarHBondContact O-CG 3.28Å; I154-L158 PolarHBondContact O-N 3.48Å; T155-L158 PolarHBondContact O-N 2.73Å; L158-T160 PolarHBondContact O-N 3.34Å; L158-I161 PolarHBondContact O-N 2.88Å; L158-Y162 HydrophobicContact CB-CE2 4.42Å; L158-Y162 WeakPolarHBondContact O-CD2 3.3Å; L158-Y162 PolarHBondContact O-N 3.35Å; L158-V181 HydrophobicContact CD2-CG1 4.17Å |
| 159 | H | 92.2 | Very high | 88.8 | Confident | 123 Ų | 123 | 79.9 Ų | 79.9 | 57% | 0.569 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.7 | -47 | 175.2 | -170.8 | -70.6 | 0 | 0 | 0 | 111.4 | T155 S156 L157 I161 Y162 E163 | T155-H159 WeakPolarHBondContact O-CB 3.3Å; T155-H159 PolarHBondContact O-N 3.19Å; S156-H159 PolarHBondContact O-N 2.88Å; L157-H159 PolarHBondContact O-N 2.93Å; H159-I161 VanDerWaalsContact C-N 3.33Å; H159-I161 PolarHBondContact O-N 3.18Å; H159-Y162 PolarHBondContact O-N 3.37Å; H159-E163 IonicContact CE1-OE2 3.18Å; H159-E163 IonicContact ND1-OE2 3.93Å; H159-E163 WeakPolarHBondContact O-CB 3.42Å; H159-E163 PolarHBondContact O-N 3.32Å |
| 160 | T | 92.6 | Very high | 87.9 | Confident | 80 Ų | 80 | 82.5 Ų | 82.5 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.6 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | S156 L157 L158 V164 | S156-T160 WeakPolarHBondContact O-CB 3.49Å; S156-T160 PolarHBondContact O-N 2.93Å; S156-T160 PolarHBondContact O-OG1 3.43Å; L157-T160 PolarHBondContact O-N 3.37Å; L158-T160 PolarHBondContact O-N 3.34Å; T160-V164 WeakPolarHBondContact O-CG2 3.34Å; T160-V164 PolarHBondContact O-N 2.89Å; T160-V164 VanDerWaalsContact O-N 3.1Å |
| 161 | I | 89.3 | Confident | 86.8 | Confident | 29 Ų | 29 | 86.9 Ų | 86.9 | 15% | 0.149 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175 | -68.8 | 165.7 | 0 | 0 | 0 | 110.5 | F138 L157 L158 H159 V165 | F138-I161 HydrophobicContact CD2-CD1 4.07Å; F138-I161 HydrophobicContact CE1-CD1 4.45Å; F138-I161 HydrophobicContact CE1-CG1 4.43Å; F138-I161 HydrophobicContact CE2-CD1 3.73Å; F138-I161 HydrophobicContact CE2-CG1 4.3Å; F138-I161 HydrophobicContact CZ-CD1 3.94Å; F138-I161 HydrophobicContact CZ-CG1 4.01Å; L157-I161 HydrophobicContact CD1-CD1 3.95Å; L157-I161 HydrophobicContact CD1-CG1 4.39Å; L157-I161 HydrophobicContact CG-CD1 3.94Å; L157-I161 WeakPolarHBondContact O-CG1 3.49Å; L157-I161 PolarHBondContact O-N 3.48Å; L158-I161 PolarHBondContact O-N 2.88Å; H159-I161 VanDerWaalsContact C-N 3.33Å; H159-I161 PolarHBondContact O-N 3.18Å; I161-V165 HydrophobicContact CG2-CG2 4.26Å; I161-V165 VanDerWaalsContact O-CB 3.23Å; I161-V165 WeakPolarHBondContact O-CB 3.23Å; I161-V165 WeakPolarHBondContact O-CG2 3.33Å; I161-V165 PolarHBondContact O-N 2.85Å |
| 162 | Y | 88.5 | Confident | 85.6 | Confident | 156 Ų | 156 | 80.7 Ų | 80.7 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 178.2 | -78.5 | -60.8 | 0 | 0 | 0 | 112.3 | L158 H159 V165 D166 | L158-Y162 HydrophobicContact CB-CE2 4.42Å; L158-Y162 WeakPolarHBondContact O-CD2 3.3Å; L158-Y162 PolarHBondContact O-N 3.35Å; H159-Y162 PolarHBondContact O-N 3.37Å; Y162-V165 PolarHBondContact O-N 3.03Å; Y162-D166 WeakPolarHBondContact O-CB 3.44Å; Y162-D166 PolarHBondContact O-N 3.09Å |
| 163 | E | 91.8 | Very high | 83.9 | Confident | 126 Ų | 126 | 82.1 Ų | 82.1 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.7 | -46.3 | -179.5 | -173.4 | 177.1 | 164.9 | 0 | 0 | 112.4 | H159 V165 D166 A167 | H159-E163 IonicContact CE1-OE2 3.18Å; H159-E163 IonicContact ND1-OE2 3.93Å; H159-E163 WeakPolarHBondContact O-CB 3.42Å; H159-E163 PolarHBondContact O-N 3.32Å; E163-V165 VanDerWaalsContact C-N 3.34Å; E163-V165 PolarHBondContact O-N 2.89Å; E163-D166 PolarHBondContact O-N 2.95Å; E163-A167 WeakPolarHBondContact O-CB 3.32Å; E163-A167 PolarHBondContact O-N 3.43Å |
| 164 | V | 90.3 | Very high | 82.5 | Confident | 95 Ų | 95 | 83.1 Ų | 83.1 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.9 | -34.1 | 177 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | T160 S168 | T160-V164 WeakPolarHBondContact O-CG2 3.34Å; T160-V164 PolarHBondContact O-N 2.89Å; T160-V164 VanDerWaalsContact O-N 3.1Å; V164-S168 WeakPolarHBondContact O-CB 3.36Å; V164-S168 PolarHBondContact O-N 2.96Å; V164-S168 PolarHBondContact O-OG 3.46Å |
| 165 | V | 86.3 | Confident | 81 | Confident | 39 Ų | 39 | 86.5 Ų | 86.5 | 24% | 0.236 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -69.6 | -42.9 | 174.9 | 165.7 | 0 | 0 | 0 | 0 | 111.3 | I161 Y162 E163 S168 V169 L179 | I161-V165 HydrophobicContact CG2-CG2 4.26Å; I161-V165 VanDerWaalsContact O-CB 3.23Å; I161-V165 WeakPolarHBondContact O-CB 3.23Å; I161-V165 WeakPolarHBondContact O-CG2 3.33Å; I161-V165 PolarHBondContact O-N 2.85Å; Y162-V165 PolarHBondContact O-N 3.03Å; E163-V165 VanDerWaalsContact C-N 3.34Å; E163-V165 PolarHBondContact O-N 2.89Å; V165-S168 WeakPolarHBondContact CA-OG 3.19Å; V165-S168 PolarHBondContact O-N 3.29Å; V165-S168 PolarHBondContact O-OG 3.31Å; V165-V169 HydrophobicContact CG1-CG2 4.11Å; V165-V169 VanDerWaalsContact O-CB 3.31Å; V165-V169 WeakPolarHBondContact O-CB 3.35Å; V165-V169 VanDerWaalsContact O-CG2 3.32Å; V165-V169 WeakPolarHBondContact O-CG2 3.44Å; V165-V169 PolarHBondContact O-N 3.01Å; V165-L179 HydrophobicContact CB-CD1 4.13Å; V165-L179 HydrophobicContact CG1-CD1 3.57Å; V165-L179 HydrophobicContact CG1-CG 4.31Å; V165-L179 HydrophobicContact CG2-CD1 3.43Å; V165-L179 VanDerWaalsContact CG2-CD1 3.43Å |
| 166 | D | 85.1 | Confident | 79.6 | Confident | 100 Ų | 100 | 88.7 Ų | 88.7 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -51.1 | 178.5 | -158.5 | 57.8 | 0 | 0 | 0 | 109.7 | Y162 E163 S168 V169 H171 | Y162-D166 WeakPolarHBondContact O-CB 3.44Å; Y162-D166 PolarHBondContact O-N 3.09Å; E163-D166 PolarHBondContact O-N 2.95Å; D166-S168 PolarHBondContact O-N 3.15Å; D166-S168 VanDerWaalsContact O-N 3.15Å; D166-V169 PolarHBondContact O-N 3.1Å; D166-H171 VanDerWaalsContact CG-CE1 3.45Å; D166-H171 PolarHBondContact O-CE1 3.5Å; D166-H171 PolarHBondContact O-NE2 3.11Å; D166-H171 IonicContact OD1-CE1 3.64Å; D166-H171 PolarHBondContact OD1-CE1 2.97Å; D166-H171 VanDerWaalsContact OD1-CE1 3.27Å; D166-H171 IonicContact OD1-ND1 3.15Å; D166-H171 IonicContact OD2-CE1 2.93Å |
| 167 | A | 86.3 | Confident | 78.4 | Confident | 89 Ų | 89 | 92.4 Ų | 92.4 | 74% | 0.736 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -23.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E163 | E163-A167 WeakPolarHBondContact O-CB 3.32Å; E163-A167 PolarHBondContact O-N 3.43Å |
| 168 | S | 78.2 | Confident | 77.3 | Confident | 76 Ų | 76 | 97.2 Ų | 97.2 | 53% | 0.531 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -99.4 | -22.4 | 179.4 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | V164 V165 D166 N170 | V164-S168 WeakPolarHBondContact O-CB 3.36Å; V164-S168 PolarHBondContact O-N 2.96Å; V164-S168 PolarHBondContact O-OG 3.46Å; V165-S168 WeakPolarHBondContact CA-OG 3.19Å; V165-S168 PolarHBondContact O-N 3.29Å; V165-S168 PolarHBondContact O-OG 3.31Å; D166-S168 PolarHBondContact O-N 3.15Å; D166-S168 VanDerWaalsContact O-N 3.15Å; S168-N170 PolarHBondContact O-N 3.48Å |
| 169 | V | 78.9 | Confident | 76.5 | Confident | 35 Ų | 35 | 99.7 Ų | 99.7 | 21% | 0.212 | 57% | 0.571 | C | S | . | * | S | Bend | trans | -88.6 | 89.4 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | V165 D166 H171 K177 | V165-V169 HydrophobicContact CG1-CG2 4.11Å; V165-V169 VanDerWaalsContact O-CB 3.31Å; V165-V169 WeakPolarHBondContact O-CB 3.35Å; V165-V169 VanDerWaalsContact O-CG2 3.32Å; V165-V169 WeakPolarHBondContact O-CG2 3.44Å; V165-V169 PolarHBondContact O-N 3.01Å; D166-V169 PolarHBondContact O-N 3.1Å; V169-H171 PolarHBondContact O-N 3.2Å; V169-H171 PolarHBondContact O-ND1 3.49Å; V169-K177 HydrophobicContact CG1-CD 4.08Å; V169-K177 HydrophobicContact CG2-CD 4.25Å |
| 170 | N | 66.3 | Low | 75.5 | Confident | 130 Ų | 130 | 105.4 Ų | 105.4 | 70% | 0.695 | 59% | 0.587 | S | S | * | * | | | trans | -35.8 | 100.1 | 169.3 | -76.5 | -101.1 | 0 | 0 | 0 | 113.3 | S168 S172 K175 | S168-N170 PolarHBondContact O-N 3.48Å; N170-S172 VanDerWaalsContact C-N 3.34Å; N170-S172 PolarHBondContact O-N 3.42Å; N170-K175 WeakPolarHBondContact O-CE 3.33Å; N170-K175 PolarHBondContact O-NZ 3.12Å |
| 171 | H | 66.1 | Low | 74.6 | Confident | 129 Ų | 129 | 105.4 Ų | 105.4 | 60% | 0.597 | 59% | 0.587 | S | S | * | * | | | trans | -70.3 | 80.1 | -175.7 | -31.7 | -84.2 | 0 | 0 | 0 | 112.4 | D166 V169 | D166-H171 VanDerWaalsContact CG-CE1 3.45Å; D166-H171 PolarHBondContact O-CE1 3.5Å; D166-H171 PolarHBondContact O-NE2 3.11Å; D166-H171 IonicContact OD1-CE1 3.64Å; D166-H171 PolarHBondContact OD1-CE1 2.97Å; D166-H171 VanDerWaalsContact OD1-CE1 3.27Å; D166-H171 IonicContact OD1-ND1 3.15Å; D166-H171 IonicContact OD2-CE1 2.93Å; V169-H171 PolarHBondContact O-N 3.2Å; V169-H171 PolarHBondContact O-ND1 3.49Å |
| 172 | S | 67.2 | Low | 73.8 | Confident | 59 Ų | 59 | 111.6 Ų | 111.6 | 41% | 0.413 | 61% | 0.613 | S | S | . | * | | | trans | -85.1 | 118.7 | 164.6 | -54 | 0 | 0 | 0 | 0 | 108.5 | N170 G174 K175 | N170-S172 VanDerWaalsContact C-N 3.34Å; N170-S172 PolarHBondContact O-N 3.42Å; S172-G174 PolarHBondContact O-N 3.44Å; S172-K175 PolarHBondContact O-N 2.8Å; S172-K175 VanDerWaalsContact O-N 3.12Å; S172-K175 PolarHBondContact OG-NZ 2.91Å |
| 173 | P | 57.3 | Low | 73.1 | Confident | 140 Ų | 140 | 108.9 Ų | 108.9 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 111.3 | 178.7 | 24.8 | -33.1 | 0 | 0 | 0 | 109.3 | | |
| 174 | G | 58.8 | Low | 72 | Confident | 85 Ų | 85 | 107.8 Ų | 107.8 | 88% | 0.876 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123 | -6.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S172 | S172-G174 PolarHBondContact O-N 3.44Š|
| 175 | K | 61.2 | Low | 70.8 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 43% | 0.43 | 61% | 0.614 | S | S | . | * | | | trans | -118.9 | 84.3 | 171.5 | 78.9 | -164.5 | -174 | -153.9 | 0 | 111.9 | N170 S172 K177 | N170-K175 WeakPolarHBondContact O-CE 3.33Å; N170-K175 PolarHBondContact O-NZ 3.12Å; S172-K175 PolarHBondContact O-N 2.8Å; S172-K175 VanDerWaalsContact O-N 3.12Å; S172-K175 PolarHBondContact OG-NZ 2.91Å; K175-K177 PolarHBondContact O-N 3.2Å |
| 176 | S | 62.5 | Low | 69.9 | Low | 120 Ų | 120 | 110 Ų | 110 | 84% | 0.839 | 64% | 0.637 | S | S | * | * | | | trans | -70 | 122.4 | 169.1 | 41 | 0 | 0 | 0 | 0 | 110 | | |
| 177 | K | 66.2 | Low | 68.7 | Low | 148 Ų | 148 | 110.9 Ų | 110.9 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | | | trans | -105.3 | 119.6 | 166.1 | -73.3 | -171.2 | 174.2 | -171.8 | 0 | 108.4 | V169 K175 | V169-K177 HydrophobicContact CG1-CD 4.08Å; V169-K177 HydrophobicContact CG2-CD 4.25Å; K175-K177 PolarHBondContact O-N 3.2Å |
| 178 | T | 68.1 | Low | 67.2 | Low | 132 Ų | 132 | 111.6 Ų | 111.6 | 81% | 0.81 | 64% | 0.64 | S | S | * | * | | | trans | -93.4 | 126.1 | 169.6 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 179 | L | 73.3 | Confident | 65.7 | Low | 104 Ų | 104 | 112.9 Ų | 112.9 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | | | trans | -90.4 | 142 | 167.8 | -63.3 | -170.2 | 0 | 0 | 0 | 110 | V165 | V165-L179 HydrophobicContact CB-CD1 4.13Å; V165-L179 HydrophobicContact CG1-CD1 3.57Å; V165-L179 HydrophobicContact CG1-CG 4.31Å; V165-L179 HydrophobicContact CG2-CD1 3.43Å; V165-L179 VanDerWaalsContact CG2-CD1 3.43Å |
| 180 | R | 70.9 | Confident | 64.5 | Low | 242 Ų | 242 | 113.4 Ų | 113.4 | 91% | 0.913 | 66% | 0.655 | S | S | * | * | | | trans | -103.5 | 97.2 | 173.5 | -66.6 | -178.7 | 66.7 | -150.6 | -0.8 | 108.6 | | |
| 181 | V | 73.1 | Confident | 63.7 | Low | 80 Ų | 80 | 113 Ų | 113 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | | | trans | -87.8 | 126.3 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 109 | L158 | L158-V181 HydrophobicContact CD2-CG1 4.17Š|
| 182 | K | 73.1 | Confident | 62.7 | Low | 160 Ų | 160 | 116.6 Ų | 116.6 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | | | trans | -112.9 | 90.9 | 176.3 | -179.5 | -172.4 | 74.4 | -160.3 | 0 | 108.1 | E135 | E135-K182 IonicContact OE2-NZ 3.69Å; E135-K182 PolarHBondContact OE2-NZ 2.84Å |
| 183 | L | 73.3 | Confident | 61.6 | Low | 98 Ų | 98 | 122 Ų | 122 | 51% | 0.513 | 67% | 0.668 | S | S | . | * | | | trans | -76.5 | 131.2 | 172.3 | -179.6 | 64.4 | 0 | 0 | 0 | 109.3 | I154 V185 | I154-L183 HydrophobicContact CD1-CD1 4.16Å; I154-L183 HydrophobicContact CD1-CD2 4.03Å; I154-L183 HydrophobicContact CG1-CD2 4.43Å; I154-L183 HydrophobicContact CG2-CD2 3.62Å; L183-V185 HydrophobicContact CD1-CG2 4.32Å; L183-V185 HydrophobicContact CD2-CG2 4.38Å; L183-V185 HydrophobicContact CG-CG2 4.19Å |
| 184 | S | 68.6 | Low | 61.2 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | | | trans | -122.9 | 137.9 | 167.4 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 185 | V | 66.9 | Low | 60.2 | Low | 92 Ų | 92 | 124.1 Ų | 124.1 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | | | trans | -129.3 | 101.3 | 174.5 | -178 | 0 | 0 | 0 | 0 | 106.9 | L183 P187 | L183-V185 HydrophobicContact CD1-CG2 4.32Å; L183-V185 HydrophobicContact CD2-CG2 4.38Å; L183-V185 HydrophobicContact CG-CG2 4.19Å; V185-P187 WeakPolarHBondContact O-CD 3.43Å |
| 186 | A | 66.7 | Low | 59.1 | Low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | | | trans | -80.3 | 120.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | D188 | A186-D188 PolarHBondContact O-N 3.4Š|
| 187 | P | 59.2 | Low | 58.2 | Low | 119 Ų | 119 | 122.7 Ų | 122.7 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | | | trans | -69.5 | 129.9 | 169.7 | 29.4 | -32.5 | 0 | 0 | 0 | 108.9 | V185 S189 | V185-P187 WeakPolarHBondContact O-CD 3.43Å; P187-S189 PolarHBondContact O-N 3.29Å; P187-S189 VanDerWaalsContact O-N 3.11Å |
| 188 | D | 55.6 | Low | 57.4 | Low | 105 Ų | 105 | 124.3 Ų | 124.3 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | | | trans | -64 | 115.3 | 178.6 | -179.5 | 10.2 | 0 | 0 | 0 | 110.7 | A186 S190 Q191 | A186-D188 PolarHBondContact O-N 3.4Å; D188-S190 PolarHBondContact O-N 3.34Å; D188-S190 WeakPolarHBondContact OD1-CB 3.29Å; D188-S190 PolarHBondContact OD1-N 3.3Å; D188-S190 PolarHBondContact OD1-OG 3.49Å; D188-S190 WeakPolarHBondContact OD2-CB 3.48Å; D188-S190 PolarHBondContact OD2-OG 3.1Å; D188-Q191 PolarHBondContact O-N 3.33Å |
| 189 | S | 46.9 | Very low | 55.7 | Low | 102 Ų | 102 | 121.8 Ų | 121.8 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -65.8 | -15.6 | 179.5 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | P187 Q191 R192 | P187-S189 PolarHBondContact O-N 3.29Å; P187-S189 VanDerWaalsContact O-N 3.11Å; S189-Q191 PolarHBondContact O-N 2.89Å; S189-Q191 VanDerWaalsContact O-N 3.09Å; S189-R192 PolarHBondContact O-N 3.31Å |
| 190 | S | 52.8 | Low | 54.1 | Low | 47 Ų | 47 | 121.7 Ų | 121.7 | 33% | 0.329 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -61.5 | -13.1 | 175.2 | 93.6 | 0 | 0 | 0 | 0 | 114.2 | D188 W193 | D188-S190 PolarHBondContact O-N 3.34Å; D188-S190 WeakPolarHBondContact OD1-CB 3.29Å; D188-S190 PolarHBondContact OD1-N 3.3Å; D188-S190 PolarHBondContact OD1-OG 3.49Å; D188-S190 WeakPolarHBondContact OD2-CB 3.48Å; D188-S190 PolarHBondContact OD2-OG 3.1Å; S190-W193 PolarHBondContact O-NE1 3.38Å |
| 191 | Q | 50.3 | Low | 52.5 | Low | 122 Ų | 122 | 116.4 Ų | 116.4 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -80.3 | -26.1 | 172.4 | -64.1 | -62.4 | -21.4 | 0 | 0 | 113.1 | D188 S189 W193 R194 | D188-Q191 PolarHBondContact O-N 3.33Å; S189-Q191 PolarHBondContact O-N 2.89Å; S189-Q191 VanDerWaalsContact O-N 3.09Å; Q191-W193 PolarHBondContact O-N 2.81Å; Q191-R194 PolarHBondContact O-N 3.33Å |
| 192 | R | 45.5 | Very low | 50.8 | Low | 203 Ų | 203 | 118.8 Ų | 118.8 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.1 | -37.3 | -171.5 | -173.6 | 177.2 | 174.4 | -131.8 | -2.2 | 113.5 | S189 R194 S195 C196 | S189-R192 PolarHBondContact O-N 3.31Å; R192-R194 PolarHBondContact O-N 3.41Å; R192-S195 PolarHBondContact O-N 3.18Å; R192-C196 PolarHBondContact O-N 3.02Å |
| 193 | W | 42.8 | Very low | 49.1 | Very low | 173 Ų | 173 | 119.3 Ų | 119.3 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.7 | -19.9 | -179 | 69 | -84 | 0 | 0 | 0 | 113.4 | S190 Q191 | S190-W193 PolarHBondContact O-NE1 3.38Å; Q191-W193 PolarHBondContact O-N 2.81Å |
| 194 | R | 48.5 | Very low | 47.1 | Very low | 172 Ų | 172 | 119 Ų | 119 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80.1 | -33 | 178.5 | -66.2 | -76.3 | -96.3 | -97 | -7.9 | 112.7 | Q191 R192 | Q191-R194 PolarHBondContact O-N 3.33Å; R192-R194 PolarHBondContact O-N 3.41Å |
| 195 | S | 39.3 | Very low | 45.6 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -88 | -19.8 | -176.5 | -55.2 | 0 | 0 | 0 | 0 | 114.3 | R192 A197 | R192-S195 PolarHBondContact O-N 3.18Å; S195-A197 VanDerWaalsContact C-N 3.33Å; S195-A197 PolarHBondContact O-N 3.28Å |
| 196 | C | 38.6 | Very low | 43.7 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 72% | 0.716 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -1.2 | -171.7 | -156.5 | 0 | 0 | 0 | 0 | 115 | R192 | R192-C196 PolarHBondContact O-N 3.02Š|
| 197 | A | 42.7 | Very low | 42.1 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -5.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S195 | S195-A197 VanDerWaalsContact C-N 3.33Å; S195-A197 PolarHBondContact O-N 3.28Å |
| 198 | Q | 48.7 | Very low | 41.1 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -135.5 | 61.2 | -166 | -147.1 | 83.5 | 48.9 | 0 | 0 | 112.2 | | |
| 199 | G | 32.6 | Very low | 40.1 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -177.1 | 47 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 200 | A | 40.3 | Very low | 39.3 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | | | trans | -129.4 | 46.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 201 | T | 36.9 | Very low | 38.6 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -132.3 | 110.5 | 167.9 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 202 | D | 37.1 | Very low | 37.8 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -20.8 | 128.8 | 154.7 | 168.8 | 35.7 | 0 | 0 | 0 | 114.5 | | |
| 203 | M | 37.7 | Very low | 37.3 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | -143.8 | 134.5 | 152.1 | -92.1 | -61.1 | 100.6 | 0 | 0 | 110.4 | | |
| 204 | S | 32 | Very low | 36.9 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | | | trans | -102.1 | 170.7 | -171.7 | 41.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 205 | H | 36.7 | Very low | 36.2 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | | | trans | -59 | 141.8 | -174.6 | -32.5 | -91 | 0 | 0 | 0 | 113.7 | | |
| 206 | S | 27.9 | Very low | 35.9 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | | 171.4 | 137.7 | 118.3 | -171.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 207 | R | 31.5 | Very low | 35.8 | Very low | 232 Ų | 232 | 144.6 Ų | 144.6 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | | | trans | 22.5 | 111.8 | 157.9 | -76.2 | -176.5 | 162.6 | -179.4 | -4.1 | 120.1 | K209 | R207-K209 PolarHBondContact O-N 2.72Š|
| 208 | E | 38.2 | Very low | 35.2 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | | | trans | -61.6 | 122.9 | 148.8 | -176.5 | -173.3 | 133.3 | 0 | 0 | 111.5 | | |
| 209 | K | 35.2 | Very low | 34.3 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -161.3 | 97.8 | 157.3 | -169.1 | 175.9 | 177.7 | -179.7 | 0 | 114.5 | R207 | R207-K209 PolarHBondContact O-N 2.72Š|
| 210 | N | 31.2 | Very low | 34.4 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | | | trans | 61.7 | 146.9 | 142.7 | -167.8 | -124 | 0 | 0 | 0 | 121.4 | | |
| 211 | D | 37.2 | Very low | 34.3 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | | | trans | -40 | 137.7 | -178.7 | -60.1 | -110.5 | 0 | 0 | 0 | 118.7 | | |
| 212 | K | 34.4 | Very low | 34.6 | Very low | 207 Ų | 207 | 150.8 Ų | 150.8 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | | | | -171.8 | 141.6 | 102.4 | -97 | 153.8 | -173.4 | 175.1 | 0 | 112.6 | | |
| 213 | C | 34.7 | Very low | 35 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -113.1 | 120.9 | 167.9 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 214 | I | 33.9 | Very low | 35 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | -161.5 | 149.1 | 168 | -135.3 | 163.8 | 0 | 0 | 0 | 111.9 | | |
| 215 | D | 34.3 | Very low | 35.3 | Very low | 141 Ų | 141 | 158.9 Ų | 158.9 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | | | trans | 43.1 | 102.1 | 168.7 | -88.4 | -134.8 | 0 | 0 | 0 | 122.9 | | |
| 216 | D | 33 | Very low | 35.2 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | | 57.5 | 156 | 109.1 | -144.8 | -7.3 | 0 | 0 | 0 | 122.9 | | |
| 217 | L | 35.7 | Very low | 35.7 | Very low | 114 Ų | 114 | 157.3 Ų | 157.3 | 60% | 0.597 | 81% | 0.805 | S | S | * | * | | | trans | 102.7 | 80.9 | 138.8 | -137.5 | 71.7 | 0 | 0 | 0 | 121.2 | | |
| 218 | K | 31.2 | Very low | 36.5 | Very low | 182 Ų | 182 | 154.3 Ų | 154.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 80.3 | 145.5 | 136.4 | -67.7 | 173.2 | -173.1 | 156.3 | 0 | 122.1 | | |
| 219 | S | 28.9 | Very low | 36.6 | Very low | 119 Ų | 119 | 156 Ų | 156 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | 78.6 | 96.9 | 137.8 | 179.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 220 | A | 33.8 | Very low | 36.7 | Very low | 100 Ų | 100 | 157.4 Ų | 157.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -152.1 | 74.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K222 | A220-K222 PolarHBondContact O-N 3.39Š|
| 221 | D | 38.6 | Very low | 37 | Very low | 141 Ų | 141 | 159.9 Ų | 159.9 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | | | trans | -67.3 | 125.9 | 156.4 | 170.5 | -97.2 | 0 | 0 | 0 | 108.9 | | |
| 222 | K | 43.3 | Very low | 37.3 | Very low | 164 Ų | 164 | 162.2 Ų | 162.2 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | | | trans | -178.4 | 130.3 | 145.4 | -101.7 | 140.2 | -155 | 158.8 | 0 | 113.5 | A220 | A220-K222 PolarHBondContact O-N 3.39Š|
| 223 | K | 45.9 | Very low | 37.7 | Very low | 190 Ų | 190 | 156.9 Ų | 156.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | 71.2 | 93.8 | 153.1 | -48.4 | 150.5 | -174.9 | 176.8 | 0 | 117.7 | | |
| 224 | S | 37.6 | Very low | 38.1 | Very low | 129 Ų | 129 | 157.5 Ų | 157.5 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | | -160.9 | 115.8 | 111.9 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 225 | R | 37.8 | Very low | 38.6 | Very low | 244 Ų | 244 | 159.1 Ų | 159.1 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -122.4 | 137.5 | 175.9 | -174 | 179.4 | -177.6 | -175.4 | 1.7 | 108.9 | | |
| 226 | A | 35.7 | Very low | 39.1 | Very low | 84 Ų | 84 | 160.3 Ų | 160.3 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | | | trans | 67.3 | 96.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 227 | L | 38.3 | Very low | 39.5 | Very low | 181 Ų | 181 | 158.3 Ų | 158.3 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | | | | -128.7 | 92.7 | 117.7 | -85.2 | -175.6 | 0 | 0 | 0 | 109.6 | R229 | L227-R229 PolarHBondContact O-N 3.48Š|
| 228 | L | 48.2 | Very low | 40 | Very low | 169 Ų | 169 | 162.7 Ų | 162.7 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -93.8 | 86.9 | 177.5 | -161.4 | 87.5 | 0 | 0 | 0 | 110.3 | | |
| 229 | R | 40.4 | Very low | 40.5 | Very low | 236 Ų | 236 | 158.2 Ų | 158.2 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -135.1 | 83.8 | 168.5 | -81.3 | -162.4 | 172.2 | 172.4 | -0.1 | 113.4 | L227 | L227-R229 PolarHBondContact O-N 3.48Š|
| 230 | R | 37.4 | Very low | 41.3 | Very low | 218 Ų | 218 | 155.6 Ų | 155.6 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | | | trans | 30.2 | 93.5 | 137.3 | -169.9 | -154.8 | -63.2 | -95.9 | 5.2 | 116.1 | | |
| 231 | H | 36.8 | Very low | 42 | Very low | 187 Ų | 187 | 156.5 Ų | 156.5 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -122.1 | 122.1 | 136.6 | -98.8 | -97.2 | 0 | 0 | 0 | 108.6 | | |
| 232 | H | 43.9 | Very low | 42.4 | Very low | 174 Ų | 174 | 157.8 Ų | 157.8 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -86.2 | 122.4 | 154.8 | -84.9 | -103.1 | 0 | 0 | 0 | 106.5 | | |
| 233 | S | 42.3 | Very low | 42.7 | Very low | 94 Ų | 94 | 159.9 Ų | 159.9 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | trans | 178.7 | 124.6 | 146 | -110.7 | 0 | 0 | 0 | 0 | 110.3 | H235 | S233-H235 PolarHBondContact O-N 2.97Š|
| 234 | D | 42.3 | Very low | 43.1 | Very low | 141 Ų | 141 | 157.4 Ų | 157.4 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | 55.6 | 60.3 | 138.2 | -48.1 | -56.3 | 0 | 0 | 0 | 119.4 | | |
| 235 | H | 44.7 | Very low | 43.9 | Very low | 192 Ų | 192 | 156.1 Ų | 156.1 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | | | trans | -122.2 | 59.2 | 157.6 | -76.4 | -11.8 | 0 | 0 | 0 | 112.2 | S233 T237 | S233-H235 PolarHBondContact O-N 2.97Å; H235-T237 PolarHBondContact O-N 2.89Å |
| 236 | H | 45.1 | Very low | 44.7 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -86.5 | 104.1 | 157.7 | -168.4 | 66.4 | 0 | 0 | 0 | 109.9 | | |
| 237 | T | 40.7 | Very low | 46.2 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | | | trans | -0.9 | 122.1 | 161.3 | 44.8 | 0 | 0 | 0 | 0 | 118.3 | H235 S239 | H235-T237 PolarHBondContact O-N 2.89Å; T237-S239 PolarHBondContact O-N 3.18Å; T237-S239 PolarHBondContact O-OG 2.69Å |
| 238 | Q | 47 | Very low | 47.9 | Very low | 206 Ų | 206 | 145.6 Ų | 145.6 | 96% | 0.963 | 74% | 0.735 | S | S | * | * | | | trans | -48.4 | 119.9 | 172.1 | -65 | 176.1 | -19.3 | 0 | 0 | 112.6 | | |
| 239 | S | 42.7 | Very low | 49.2 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | | | trans | -150.6 | 7.5 | 172.9 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | T237 | T237-S239 PolarHBondContact O-N 3.18Å; T237-S239 PolarHBondContact O-OG 2.69Å |
| 240 | G | 45.8 | Very low | 51.2 | Low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | | | trans | -85.7 | -14.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 241 | C | 46.5 | Very low | 53.6 | Low | 119 Ų | 119 | 131 Ų | 131 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -18.6 | -166.4 | -154.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 242 | Q | 47.1 | Very low | 56.1 | Low | 167 Ų | 167 | 127 Ų | 127 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -10.7 | -175.3 | -86.9 | -78.9 | 10.4 | 0 | 0 | 114.6 | | |
| 243 | R | 51.4 | Low | 58.2 | Low | 209 Ų | 209 | 127 Ų | 127 | 79% | 0.789 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -34.9 | -178.6 | -91.7 | 177.7 | 162.8 | -99.1 | -0.4 | 113.9 | D247 | R243-D247 PolarHBondContact O-N 2.77Š|
| 244 | H | 52.4 | Low | 60.2 | Low | 138 Ų | 138 | 126 Ų | 126 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.3 | -36.5 | -164.6 | -146 | 26.8 | 0 | 0 | 0 | 113.7 | V246 D247 E248 | H244-V246 VanDerWaalsContact C-N 3.31Å; H244-V246 PolarHBondContact O-N 2.71Å; H244-D247 WeakPolarHBondContact O-CB 3.33Å; H244-D247 PolarHBondContact O-N 3.37Å; H244-E248 PolarHBondContact O-N 3.28Å |
| 245 | C | 55.3 | Low | 62.6 | Low | 101 Ų | 101 | 124.1 Ų | 124.1 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.1 | -24.7 | -177.7 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 246 | V | 54.8 | Low | 64.8 | Low | 104 Ų | 104 | 122.4 Ų | 122.4 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.5 | -35.8 | 173.3 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | H244 L250 | H244-V246 VanDerWaalsContact C-N 3.31Å; H244-V246 PolarHBondContact O-N 2.71Å; V246-L250 PolarHBondContact O-N 3.04Å |
| 247 | D | 66.7 | Low | 66.8 | Low | 87 Ų | 87 | 118.6 Ų | 118.6 | 47% | 0.465 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.4 | -50.3 | 178.7 | -136.7 | -1.7 | 0 | 0 | 0 | 111 | R243 H244 N249 L250 E251 | R243-D247 PolarHBondContact O-N 2.77Å; H244-D247 WeakPolarHBondContact O-CB 3.33Å; H244-D247 PolarHBondContact O-N 3.37Å; D247-N249 PolarHBondContact O-N 2.87Å; D247-N249 VanDerWaalsContact O-N 3.11Å; D247-L250 CarbonylContact O-C 3.53Å; D247-L250 WeakPolarHBondContact O-CA 3.08Å; D247-L250 PolarHBondContact O-N 3.27Å; D247-E251 WeakPolarHBondContact O-CB 3.42Å; D247-E251 PolarHBondContact O-N 3.31Å |
| 248 | E | 74.3 | Confident | 68.9 | Low | 98 Ų | 98 | 119.8 Ų | 119.8 | 46% | 0.458 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.8 | -29.9 | -173.4 | -151.1 | -152.9 | 132.2 | 0 | 0 | 113.7 | H244 R252 | H244-E248 PolarHBondContact O-N 3.28Å; E248-R252 VanDerWaalsContact O-CB 3.28Å; E248-R252 WeakPolarHBondContact O-CB 3.5Å; E248-R252 VanDerWaalsContact O-CG 3.24Å; E248-R252 WeakPolarHBondContact O-CG 3.1Å; E248-R252 PolarHBondContact O-N 2.9Å; E248-R252 PolarHBondContact O-NE 3.34Å; E248-R252 IonicContact OE1-CZ 3.16Å; E248-R252 IonicContact OE1-NE 2.82Å; E248-R252 PolarHBondContact OE1-NE 3.25Å; E248-R252 IonicContact OE1-NH2 2.7Å; E248-R252 PolarHBondContact OE1-NH2 2.84Å; E248-R252 IonicContact OE2-NH2 3.48Å; E248-R252 PolarHBondContact OE2-NH2 3.21Å |
| 249 | N | 75.6 | Confident | 70.9 | Confident | 104 Ų | 104 | 115.7 Ų | 115.7 | 56% | 0.556 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.5 | -42.1 | 173.5 | -167.3 | -73.9 | 0 | 0 | 0 | 111.8 | D247 R253 | D247-N249 PolarHBondContact O-N 2.87Å; D247-N249 VanDerWaalsContact O-N 3.11Å; N249-R253 WeakPolarHBondContact O-CB 3.23Å; N249-R253 PolarHBondContact O-N 3.43Å |
| 250 | L | 81.6 | Confident | 72.7 | Confident | 88 Ų | 88 | 114.3 Ų | 114.3 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.4 | -40.3 | 177.9 | -179.2 | 59.1 | 0 | 0 | 0 | 111.9 | V246 D247 R253 N254 | V246-L250 PolarHBondContact O-N 3.04Å; D247-L250 CarbonylContact O-C 3.53Å; D247-L250 WeakPolarHBondContact O-CA 3.08Å; D247-L250 PolarHBondContact O-N 3.27Å; L250-R253 WeakPolarHBondContact O-CB 3.29Å; L250-R253 PolarHBondContact O-N 3.3Å; L250-N254 WeakPolarHBondContact O-CB 3.32Å; L250-N254 PolarHBondContact O-N 3.14Å; L250-N254 PolarHBondContact O-ND2 3.45Å |
| 251 | E | 88.3 | Confident | 74.1 | Confident | 123 Ų | 123 | 113.6 Ų | 113.6 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.3 | -47.3 | 174.9 | -173.9 | 173.4 | -128.4 | 0 | 0 | 110.8 | D247 R253 N254 H255 | D247-E251 WeakPolarHBondContact O-CB 3.42Å; D247-E251 PolarHBondContact O-N 3.31Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 3.15Å; E251-N254 PolarHBondContact O-N 3.44Å; E251-H255 VanDerWaalsContact O-CB 3.29Å; E251-H255 WeakPolarHBondContact O-CB 3.33Å; E251-H255 PolarHBondContact O-N 2.9Å |
| 252 | R | 89.5 | Confident | 75 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59 | -41 | 171.6 | -76.2 | -173.4 | -101.5 | 102.4 | -12.6 | 111.9 | E248 Y256 | E248-R252 VanDerWaalsContact O-CB 3.28Å; E248-R252 WeakPolarHBondContact O-CB 3.5Å; E248-R252 VanDerWaalsContact O-CG 3.24Å; E248-R252 WeakPolarHBondContact O-CG 3.1Å; E248-R252 PolarHBondContact O-N 2.9Å; E248-R252 PolarHBondContact O-NE 3.34Å; E248-R252 IonicContact OE1-CZ 3.16Å; E248-R252 IonicContact OE1-NE 2.82Å; E248-R252 PolarHBondContact OE1-NE 3.25Å; E248-R252 IonicContact OE1-NH2 2.7Å; E248-R252 PolarHBondContact OE1-NH2 2.84Å; E248-R252 IonicContact OE2-NH2 3.48Å; E248-R252 PolarHBondContact OE2-NH2 3.21Å; R252-Y256 WeakPolarHBondContact O-CD2 2.91Å; R252-Y256 PolarHBondContact O-N 2.93Å; R252-Y256 VanDerWaalsContact O-N 3.07Å |
| 253 | R | 87.6 | Confident | 76.1 | Confident | 173 Ų | 173 | 113 Ų | 113 | 65% | 0.653 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.8 | -43.2 | 175.5 | 179.2 | 177.4 | 177.9 | 163.7 | 1.1 | 112.7 | N249 L250 E251 Y256 L257 | N249-R253 WeakPolarHBondContact O-CB 3.23Å; N249-R253 PolarHBondContact O-N 3.43Å; L250-R253 WeakPolarHBondContact O-CB 3.29Å; L250-R253 PolarHBondContact O-N 3.3Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 3.15Å; R253-Y256 PolarHBondContact O-N 2.9Å; R253-L257 PolarHBondContact O-N 3.05Å; R253-L257 VanDerWaalsContact O-N 3.07Å |
| 254 | N | 85.9 | Confident | 76.5 | Confident | 73 Ų | 73 | 109.7 Ų | 109.7 | 39% | 0.39 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.6 | -44 | 178.4 | -69 | -22 | 0 | 0 | 0 | 110.7 | L250 E251 Y256 L257 D258 | L250-N254 WeakPolarHBondContact O-CB 3.32Å; L250-N254 PolarHBondContact O-N 3.14Å; L250-N254 PolarHBondContact O-ND2 3.45Å; E251-N254 PolarHBondContact O-N 3.44Å; N254-Y256 VanDerWaalsContact C-N 3.31Å; N254-Y256 PolarHBondContact O-N 3.14Å; N254-L257 CarbonylContact O-C 3.56Å; N254-L257 WeakPolarHBondContact O-CA 3.17Å; N254-L257 WeakPolarHBondContact O-CB 3.4Å; N254-L257 PolarHBondContact O-N 3.1Å; N254-D258 VanDerWaalsContact O-CG 3.3Å; N254-D258 PolarHBondContact O-N 2.8Å |
| 255 | H | 92.1 | Very high | 76.6 | Confident | 103 Ų | 103 | 113.1 Ų | 113.1 | 48% | 0.477 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -56.7 | -41.8 | 174.8 | -179.8 | 58.9 | 0 | 0 | 0 | 112.6 | E251 L257 D258 L259 | E251-H255 VanDerWaalsContact O-CB 3.29Å; E251-H255 WeakPolarHBondContact O-CB 3.33Å; E251-H255 PolarHBondContact O-N 2.9Å; H255-L257 VanDerWaalsContact C-N 3.34Å; H255-D258 PolarHBondContact O-N 3Å; H255-L259 WeakPolarHBondContact NE2-CD1 3.25Å; H255-L259 WeakPolarHBondContact O-CB 3.32Å; H255-L259 VanDerWaalsContact O-CG 3.3Å; H255-L259 WeakPolarHBondContact O-CG 3.31Å; H255-L259 PolarHBondContact O-N 2.82Å |
| 256 | Y | 89.7 | Confident | 76.5 | Confident | 156 Ų | 156 | 112.9 Ų | 112.9 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -27.3 | 172.4 | -69.1 | -52.5 | 0 | 0 | 0 | 113.6 | R252 R253 N254 L259 A260 | R252-Y256 WeakPolarHBondContact O-CD2 2.91Å; R252-Y256 PolarHBondContact O-N 2.93Å; R252-Y256 VanDerWaalsContact O-N 3.07Å; R253-Y256 PolarHBondContact O-N 2.9Å; N254-Y256 VanDerWaalsContact C-N 3.31Å; N254-Y256 PolarHBondContact O-N 3.14Å; Y256-L259 HydrophobicContact CD1-CD1 4.24Å; Y256-A260 WeakPolarHBondContact O-CB 3.5Å; Y256-A260 PolarHBondContact O-N 2.86Å; Y256-A260 VanDerWaalsContact O-N 3.08Å |
| 257 | L | 88.1 | Confident | 76.2 | Confident | 87 Ų | 87 | 112 Ų | 112 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.5 | -45.5 | 172.2 | -131.9 | 77.9 | 0 | 0 | 0 | 111.2 | R253 N254 H255 A260 G261 I262 | R253-L257 PolarHBondContact O-N 3.05Å; R253-L257 VanDerWaalsContact O-N 3.07Å; N254-L257 CarbonylContact O-C 3.56Å; N254-L257 WeakPolarHBondContact O-CA 3.17Å; N254-L257 WeakPolarHBondContact O-CB 3.4Å; N254-L257 PolarHBondContact O-N 3.1Å; H255-L257 VanDerWaalsContact C-N 3.34Å; L257-A260 PolarHBondContact O-N 2.99Å; L257-G261 PolarHBondContact O-N 3.12Å; L257-I262 HydrophobicContact CD1-CD1 4.47Å |
| 258 | D | 84.4 | Confident | 75.5 | Confident | 123 Ų | 123 | 118.6 Ų | 118.6 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.2 | -46.4 | 178.7 | -61.1 | -32.2 | 0 | 0 | 0 | 110.9 | N254 H255 A260 G261 | N254-D258 VanDerWaalsContact O-CG 3.3Å; N254-D258 PolarHBondContact O-N 2.8Å; H255-D258 PolarHBondContact O-N 3Å; D258-A260 VanDerWaalsContact C-N 3.26Å; D258-A260 PolarHBondContact O-N 3.41Å; D258-G261 PolarHBondContact O-N 2.6Å; D258-G261 VanDerWaalsContact O-N 3.09Å |
| 259 | L | 88.6 | Confident | 74 | Confident | 119 Ų | 119 | 123.1 Ų | 123.1 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.3 | -31.9 | 174.5 | -77.5 | 177.5 | 0 | 0 | 0 | 113.3 | H255 Y256 G261 | H255-L259 WeakPolarHBondContact NE2-CD1 3.25Å; H255-L259 WeakPolarHBondContact O-CB 3.32Å; H255-L259 VanDerWaalsContact O-CG 3.3Å; H255-L259 WeakPolarHBondContact O-CG 3.31Å; H255-L259 PolarHBondContact O-N 2.82Å; Y256-L259 HydrophobicContact CD1-CD1 4.24Å; L259-G261 PolarHBondContact O-N 3.28Å |
| 260 | A | 81.6 | Confident | 72.3 | Confident | 59 Ų | 59 | 121.3 Ų | 121.3 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.3 | -15.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y256 L257 D258 I262 | Y256-A260 WeakPolarHBondContact O-CB 3.5Å; Y256-A260 PolarHBondContact O-N 2.86Å; Y256-A260 VanDerWaalsContact O-N 3.08Å; L257-A260 PolarHBondContact O-N 2.99Å; D258-A260 VanDerWaalsContact C-N 3.26Å; D258-A260 PolarHBondContact O-N 3.41Å; A260-I262 HydrophobicContact CB-CG1 4Å; A260-I262 HydrophobicContact CB-CG2 4.28Å; A260-I262 PolarHBondContact O-N 2.98Å; A260-I262 VanDerWaalsContact O-N 3.1Å |
| 261 | G | 75.1 | Confident | 70.5 | Confident | 51 Ų | 51 | 121.8 Ų | 121.8 | 53% | 0.526 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.4 | 17.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L257 D258 L259 E263 | L257-G261 PolarHBondContact O-N 3.12Å; D258-G261 PolarHBondContact O-N 2.6Å; D258-G261 VanDerWaalsContact O-N 3.09Å; L259-G261 PolarHBondContact O-N 3.28Å; G261-E263 PolarHBondContact O-N 2.93Å |
| 262 | I | 65.8 | Low | 68.1 | Low | 117 Ų | 117 | 119 Ų | 119 | 60% | 0.6 | 63% | 0.629 | S | S | * | * | | | trans | -81.9 | 53.4 | -175.3 | 54.2 | 165 | 0 | 0 | 0 | 112 | L257 A260 N264 | L257-I262 HydrophobicContact CD1-CD1 4.47Å; A260-I262 HydrophobicContact CB-CG1 4Å; A260-I262 HydrophobicContact CB-CG2 4.28Å; A260-I262 PolarHBondContact O-N 2.98Å; A260-I262 VanDerWaalsContact O-N 3.1Å; I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.35Å |
| 263 | E | 69 | Low | 66 | Low | 156 Ų | 156 | 120.8 Ų | 120.8 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | | | trans | -68 | 82.4 | 179.2 | 53.1 | 175.8 | 162.1 | 0 | 0 | 112.5 | G261 Y265 | G261-E263 PolarHBondContact O-N 2.93Å; E263-Y265 VanDerWaalsContact C-N 3.32Å; E263-Y265 PolarHBondContact O-N 2.78Å |
| 264 | N | 61 | Low | 63.6 | Low | 140 Ų | 140 | 117.3 Ų | 117.3 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | | | trans | 50.5 | 38.4 | 162.7 | -70.5 | -73.7 | 0 | 0 | 0 | 117 | I262 T266 | I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.35Å; N264-T266 PolarHBondContact O-N 2.74Å |
| 265 | Y | 54.7 | Low | 61.3 | Low | 209 Ų | 209 | 118.7 Ų | 118.7 | 82% | 0.82 | 68% | 0.684 | S | S | * | * | | | trans | -68 | 62.9 | 152 | -69.3 | -82.9 | 0 | 0 | 0 | 110.3 | E263 S267 | E263-Y265 VanDerWaalsContact C-N 3.32Å; E263-Y265 PolarHBondContact O-N 2.78Å; Y265-S267 PolarHBondContact O-N 2.72Å; Y265-S267 VanDerWaalsContact O-N 3.08Å |
| 266 | T | 53.1 | Low | 58.7 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 59% | 0.589 | 70% | 0.697 | S | S | * | * | | | trans | -53.7 | 116.4 | 164 | 58.6 | 0 | 0 | 0 | 0 | 106.7 | N264 R268 | N264-T266 PolarHBondContact O-N 2.74Å; T266-R268 PolarHBondContact O-N 2.83Å |
| 267 | S | 47.9 | Very low | 56.6 | Low | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | | | trans | -64.9 | 100.9 | -169.7 | -173 | 0 | 0 | 0 | 0 | 110.1 | Y265 F269 | Y265-S267 PolarHBondContact O-N 2.72Å; Y265-S267 VanDerWaalsContact O-N 3.08Å; S267-F269 PolarHBondContact O-N 3.42Å; S267-F269 WeakPolarHBondContact OG-CD2 3.48Å; S267-F269 WeakPolarHBondContact OG-CE2 3.49Å |
| 268 | R | 51.1 | Low | 54 | Low | 226 Ų | 226 | 118.9 Ų | 118.9 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | | | trans | -71.7 | 68.3 | 162.5 | -63.4 | -74.8 | -176.1 | 172.9 | 0.7 | 107.2 | T266 G270 | T266-R268 PolarHBondContact O-N 2.83Å; R268-G270 PolarHBondContact O-N 3.19Å |
| 269 | F | 43.8 | Very low | 51.9 | Low | 193 Ų | 193 | 121.6 Ų | 121.6 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | | | trans | -62.2 | 85.2 | 155.5 | -84.9 | -61.8 | 0 | 0 | 0 | 106.9 | S267 A271 | S267-F269 PolarHBondContact O-N 3.42Å; S267-F269 WeakPolarHBondContact OG-CD2 3.48Å; S267-F269 WeakPolarHBondContact OG-CE2 3.49Å; F269-A271 PolarHBondContact O-N 3.38Å |
| 270 | G | 40.3 | Very low | 49.4 | Very low | 65 Ų | 65 | 123.1 Ų | 123.1 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 121.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R268 | R268-G270 PolarHBondContact O-N 3.19Š|
| 271 | A | 44 | Very low | 47.1 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 158.4 | 141 | 0 | 0 | 0 | 0 | 0 | 109.2 | F269 | F269-A271 PolarHBondContact O-N 3.38Š|
| 272 | G | 37.6 | Very low | 45.3 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -55 | 164.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A274 | G272-A274 PolarHBondContact O-N 3.33Š|
| 273 | P | 45.7 | Very low | 43.9 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 93% | 0.929 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 126.9 | -163.7 | 25.5 | -35.5 | 0 | 0 | 0 | 113.6 | | |
| 274 | A | 36.7 | Very low | 42.4 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | -117.4 | 146.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | G272 | G272-A274 PolarHBondContact O-N 3.33Š|
| 275 | A | 36.2 | Very low | 41.1 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -82 | 150.9 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 276 | E | 38.9 | Very low | 40 | Very low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -47.9 | 146.6 | 151.9 | -102.5 | -78.4 | 116.6 | 0 | 0 | 110.5 | A278 | E276-A278 PolarHBondContact OE2-N 2.74Š|
| 277 | P | 44.8 | Very low | 39 | Very low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | | -146.5 | 143.1 | 76.2 | 37.3 | -18.9 | 0 | 0 | 0 | 118.9 | | |
| 278 | A | 34 | Very low | 38.2 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | | | trans | 73.3 | 100.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | E276 | E276-A278 PolarHBondContact OE2-N 2.74Š|
| 279 | K | 39.6 | Very low | 37.8 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | | | | 48.9 | 107.1 | 119.1 | -171.3 | -162.8 | 177.1 | -176.4 | 0 | 119.4 | | |
| 280 | V | 37 | Very low | 37.3 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | -136.3 | 159.9 | 134.2 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 281 | E | 33.5 | Very low | 37.2 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -98.2 | 166.6 | -164.1 | -164.7 | 172.6 | 129.2 | 0 | 0 | 114.3 | | |
| 282 | A | 37.5 | Very low | 36.7 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -20.1 | 140.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 283 | Q | 36.2 | Very low | 36.6 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -151.9 | 133.4 | 132 | -142.4 | 176.5 | -110 | 0 | 0 | 113.9 | | |
| 284 | A | 36.2 | Very low | 36.2 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | | | trans | -94.5 | 137.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 285 | R | 33.8 | Very low | 35.9 | Very low | 207 Ų | 207 | 143 Ų | 143 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | trans | 172.2 | 138.4 | 151.9 | -99.4 | 159.5 | -162.9 | 87.9 | -10 | 111.3 | | |
| 286 | S | 31.4 | Very low | 36.1 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 40 | 151.8 | 134.2 | 81.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 287 | S | 32.5 | Very low | 36.3 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | cis | -172.1 | -174.9 | 16.4 | -154.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 288 | N | 32.6 | Very low | 35.9 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | 71.5 | 91.8 | 149.7 | -57.4 | -13.1 | 0 | 0 | 0 | 118.9 | | |
| 289 | Q | 41.9 | Very low | 35.7 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | | 9.3 | 124.6 | 110.3 | -177.9 | -175.3 | 107.8 | 0 | 0 | 116.8 | | |
| 290 | A | 33.6 | Very low | 35.3 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -130 | 135.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 291 | R | 38.3 | Very low | 35.3 | Very low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | | | trans | -147.9 | 145.6 | 179.7 | 176 | -178.9 | 178 | 177.1 | 1.3 | 109.4 | | |
| 292 | S | 32 | Very low | 35.4 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | 106.4 | 134.3 | 180 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 293 | R | 37.3 | Very low | 35.1 | Very low | 229 Ų | 229 | 148.2 Ų | 148.2 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | cis | 91.4 | 131.4 | 32.8 | -77.8 | -170.4 | 166 | -176.5 | -5.4 | 114 | | |
| 294 | S | 35.8 | Very low | 34.7 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 61.9 | 153.9 | 175.1 | 43.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 295 | H | 30.7 | Very low | 34.5 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | cis | -144.2 | 160.8 | 15.6 | -161.5 | -83.9 | 0 | 0 | 0 | 111.7 | | |
| 296 | E | 40.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | | | trans | -78.2 | 170.8 | 170 | -96.6 | -144.4 | 111 | 0 | 0 | 113.2 | | |
| 297 | P | 43.5 | Very low | 34.4 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -142 | 136.7 | 111.3 | 36.4 | -22.9 | 0 | 0 | 0 | 116.4 | | |
| 298 | E | 36.1 | Very low | 34.5 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | trans | -77 | 129.1 | 166.4 | 178.6 | -157.2 | 88.6 | 0 | 0 | 111.9 | | |
| 299 | N | 30.5 | Very low | 34.7 | Very low | 145 Ų | 145 | 154.9 Ų | 154.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | 171.2 | 162.3 | 124.2 | -104.8 | -76.4 | 0 | 0 | 0 | 114.9 | | |
| 300 | G | 31.1 | Very low | 34.2 | Very low | 63 Ų | 63 | 151.9 Ų | 151.9 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | 114.9 | 62.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 301 | H | 36.6 | Very low | 34.1 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 88% | 0.884 | 77% | 0.769 | S | S | * | * | | | trans | -81.8 | 137.1 | 162.6 | -69.3 | -4.9 | 0 | 0 | 0 | 111.5 | | |
| 302 | T | 34.4 | Very low | 33.9 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | | | trans | -157.1 | 166.7 | 155.6 | -1.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 303 | H | 32.5 | Very low | 34 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | trans | -122.6 | 168.2 | -149.7 | -138.5 | -98 | 0 | 0 | 0 | 113.9 | | |
| 304 | A | 28.1 | Very low | 33.7 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | | | trans | 81.6 | 107 | 144.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 305 | H | 32.3 | Very low | 33.6 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | | 74 | 118.8 | 117.8 | -72.9 | -79.5 | 0 | 0 | 0 | 124.9 | | |
| 306 | H | 32.2 | Very low | 34.4 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | | | trans | 66.8 | 144.6 | 147.7 | -51.7 | -54.3 | 0 | 0 | 0 | 118.9 | | |
| 307 | R | 31 | Very low | 33.9 | Very low | 220 Ų | 220 | 136.3 Ų | 136.3 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | cis | -178.5 | 133.8 | 47.7 | -164.7 | -169.1 | -173.9 | -158.6 | 5.3 | 113.4 | | |
| 308 | R | 33.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | | | trans | 43.1 | 130 | 146.5 | 179.1 | -179.8 | -90.7 | -163.2 | -9.8 | 121.3 | Q310 | R308-Q310 HydrophobicContact CG-CG 4.07Š|
| 309 | L | 36.1 | Very low | 33 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | | | | -152.3 | 171.5 | 125 | -110.7 | 167.2 | 0 | 0 | 0 | 113.6 | | |
| 310 | Q | 31.4 | Very low | 32.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 59% | 0.593 | 75% | 0.752 | S | S | * | * | | | trans | -151.5 | 145.6 | -149.4 | -70.3 | 168.7 | 151.7 | 0 | 0 | 116.3 | R308 | R308-Q310 HydrophobicContact CG-CG 4.07Š|
| 311 | S | 31.5 | Very low | 33 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -160.1 | 126 | 146.5 | 53.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 312 | A | 34.2 | Very low | 32.9 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 61.1 | 124.8 | 66 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 313 | V | 35.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | | | cis | -160 | 166.9 | 3.4 | -103.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 314 | D | 30.3 | Very low | 33.2 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | cis | -151.2 | -153.3 | 7.9 | -142.2 | -62.1 | 0 | 0 | 0 | 113 | | |
| 315 | T | 33.4 | Very low | 33.4 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | trans | -134.1 | -163.2 | -178.5 | 8.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 316 | P | 47 | Very low | 33.9 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | cis | -118.2 | -156.8 | -10.1 | 44.4 | -28.4 | 0 | 0 | 0 | 110.6 | | |
| 317 | A | 30.7 | Very low | 33.9 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | | | cis | -150 | 136.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 318 | A | 31.5 | Very low | 34 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | | 88.3 | 138.9 | 78.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 319 | E | 29.1 | Very low | 34.3 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | trans | 64.1 | 157.2 | 168 | -66.2 | -168.5 | 113.2 | 0 | 0 | 117.9 | | |
| 320 | S | 28.8 | Very low | 34.4 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | cis | -164.5 | 177.7 | -29.5 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 321 | L | 33.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | | | trans | 65.6 | 124.7 | 162.8 | -59.2 | 170.3 | 0 | 0 | 0 | 120.2 | | |
| 322 | H | 35.3 | Very low | 35 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | | | trans | -70.8 | 167.5 | 146.3 | -60.7 | -66.4 | 0 | 0 | 0 | 109.8 | | |
| 323 | P | 44.5 | Very low | 35.2 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | cis | -150 | -175 | 22.8 | 43.8 | -22.8 | 0 | 0 | 0 | 118.9 | | |
| 324 | A | 27.4 | Very low | 35.4 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | trans | 94.3 | 131.6 | 137.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 325 | R | 33 | Very low | 35.6 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | 72.9 | 150.7 | 157.7 | -78.4 | -177.1 | 166 | 159.4 | 3.1 | 117.4 | | |
| 326 | P | 41.7 | Very low | 36.1 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | | -99.5 | 176 | 74.8 | 32.4 | -38.5 | 0 | 0 | 0 | 116.7 | | |
| 327 | R | 33.7 | Very low | 35.6 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -146.8 | 129.5 | 176.8 | 177.9 | -162.7 | -170 | -171.5 | 4.2 | 109.4 | | |
| 328 | G | 32.8 | Very low | 35.9 | Very low | 58 Ų | 58 | 140 Ų | 140 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | | | trans | 173.9 | 109.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 329 | Q | 40.2 | Very low | 36.9 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | | 72.1 | 131.1 | 74.8 | -73.2 | 180 | -40.3 | 0 | 0 | 112.7 | | |
| 330 | D | 37 | Very low | 37 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | cis | -160.1 | 166 | -17.3 | -131.2 | -108.8 | 0 | 0 | 0 | 106.3 | | |
| 331 | A | 40.8 | Very low | 37.7 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | | | cis | -130.5 | -134.8 | 8.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 332 | G | 34.6 | Very low | 37.7 | Very low | 63 Ų | 63 | 143.7 Ų | 143.7 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | cis | 116.5 | 126.6 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 333 | R | 38.4 | Very low | 37.6 | Very low | 210 Ų | 210 | 139.6 Ų | 139.6 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | cis | -149.5 | 163.2 | 4.5 | -78.9 | -174.5 | 174.9 | -96.5 | -3.8 | 112.9 | | |
| 334 | H | 39.7 | Very low | 37.2 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | | | trans | -31.9 | 150.6 | 159.4 | -10.2 | -78.6 | 0 | 0 | 0 | 115.1 | | |
| 335 | G | 34.3 | Very low | 37.8 | Very low | 65 Ų | 65 | 146.2 Ų | 146.2 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | cis | 151.3 | -170 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 336 | I | 44.1 | Very low | 38.6 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | 63.8 | 144.2 | 164.7 | -5.1 | 177.9 | 0 | 0 | 0 | 120.3 | | |
| 337 | R | 36.3 | Very low | 39.2 | Very low | 234 Ų | 234 | 142.2 Ų | 142.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | 78.2 | 107.3 | 158.2 | -64.5 | -175.4 | 175.8 | -151.6 | -1.9 | 121.2 | | |
| 338 | S | 36.9 | Very low | 39.4 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -75.8 | 176 | 135 | -45.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 339 | P | 54 | Low | 39.7 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | cis | -127.6 | -174.4 | -7 | 42.5 | -28.4 | 0 | 0 | 0 | 113 | | |
| 340 | K | 30.8 | Very low | 39.5 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | | 167.5 | 158.5 | 119.9 | -166.5 | 155.9 | -175.2 | 175 | 0 | 112.9 | | |
| 341 | T | 42.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -53.4 | 149.9 | -177.5 | 53.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 342 | H | 34.3 | Very low | 39.1 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | | | trans | -137.7 | 145.9 | 147.7 | -162.2 | 64.8 | 0 | 0 | 0 | 112.1 | | |
| 343 | S | 32.3 | Very low | 39.4 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -123.9 | 142.3 | -175.4 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 344 | R | 36.3 | Very low | 39.3 | Very low | 223 Ų | 223 | 144.2 Ų | 144.2 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -152.4 | 122.2 | 169.5 | -130.8 | 170 | -176.3 | -107 | 0.5 | 114.3 | | |
| 345 | T | 41 | Very low | 39.3 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -96.2 | 163 | 157 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 346 | P | 49.5 | Very low | 39.8 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | | | | -153.7 | -169.3 | 106.2 | 40.3 | -22.7 | 0 | 0 | 0 | 113.1 | | |
| 347 | P | 53.7 | Low | 39.5 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | cis | -118.8 | -166 | -45.3 | 30.5 | -11.6 | 0 | 0 | 0 | 111.5 | | |
| 348 | A | 38.2 | Very low | 39.7 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -128.9 | 174.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 349 | Q | 39.4 | Very low | 39.4 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -160.3 | 137.7 | 150.7 | -111.4 | -178.3 | 2 | 0 | 0 | 116.4 | | |
| 350 | N | 35.1 | Very low | 39.1 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | | | trans | 70.4 | 114.3 | 143.8 | -60.4 | -14.8 | 0 | 0 | 0 | 125.5 | | |
| 351 | S | 36.3 | Very low | 40.5 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | | | | 61.9 | 142.1 | 129.2 | -57.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 352 | G | 32.7 | Very low | 41 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | cis | 161.5 | 162.7 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 353 | R | 41.2 | Very low | 41.9 | Very low | 253 Ų | 253 | 138.8 Ų | 138.8 | 96% | 0.955 | 79% | 0.791 | S | S | * | * | | | trans | 74 | 154.9 | 179.5 | -44.3 | -177.2 | -175.9 | -150.3 | -0.6 | 113.7 | | |
| 354 | V | 36.2 | Very low | 43.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | cis | -151.6 | 120.7 | 28.1 | 164.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 355 | M | 40.6 | Very low | 43.1 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | | | | 89.7 | 107 | 87.2 | -163.9 | 79.3 | 109.9 | 0 | 0 | 119.1 | | |
| 356 | R | 44.5 | Very low | 43 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | | | trans | 67.5 | 156 | 147.9 | -69.3 | 177.9 | -165.8 | -153.2 | 1.6 | 120.5 | | |
| 357 | S | 38.2 | Very low | 42.8 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | | | cis | -175 | 145.6 | -16.5 | 52.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 358 | R | 39.7 | Very low | 41.7 | Very low | 254 Ų | 254 | 135.5 Ų | 135.5 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | | | trans | 61 | 158.8 | 150.2 | -65.8 | 178.5 | -179.8 | -162.9 | -1 | 118.7 | | |
| 359 | G | 31.9 | Very low | 41.5 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | cis | -154.8 | -154.2 | 9.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 360 | A | 47.4 | Very low | 41.1 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -134.9 | 170.8 | -162.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 361 | P | 60.2 | Low | 41.7 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -107.8 | 167.4 | -158.9 | 40.6 | -36.4 | 0 | 0 | 0 | 117.6 | | |
| 362 | P | 53.2 | Low | 42.5 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -121.9 | 173.3 | 166.7 | 31.8 | -13 | 0 | 0 | 0 | 115.7 | | |
| 363 | P | 51.5 | Low | 42.5 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -124 | -126.4 | -157 | 33.7 | -9.2 | 0 | 0 | 0 | 117.4 | | |
| 364 | P | 61.3 | Low | 42.1 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | | -128.2 | 176.1 | -125.8 | 40.6 | -20.5 | 0 | 0 | 0 | 118 | | |
| 365 | A | 33.9 | Very low | 41.9 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -156.2 | 160.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 366 | L | 37.7 | Very low | 41.6 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -116.8 | 166.6 | 170.8 | -74.8 | 168.2 | 0 | 0 | 0 | 110.3 | | |
| 367 | P | 46.3 | Very low | 41 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | | | | -145.1 | -178.9 | 111.7 | 38.8 | -24.1 | 0 | 0 | 0 | 115.2 | | |
| 368 | S | 30.1 | Very low | 41.4 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -117.3 | 152.1 | -165.4 | -39.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 369 | Q | 34.3 | Very low | 41.2 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -178.4 | 169.3 | 138.8 | -104.3 | 165.4 | 109.7 | 0 | 0 | 113.9 | | |
| 370 | T | 31 | Very low | 41.5 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -162.3 | 170.5 | -168.3 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 371 | P | 47.5 | Very low | 41 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | cis | -126.5 | -139.5 | -24.7 | 40.9 | -21.4 | 0 | 0 | 0 | 108.8 | | |
| 372 | P | 52.9 | Low | 39.9 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | | | cis | -127.2 | 161.3 | -32 | 30.7 | -12.3 | 0 | 0 | 0 | 114.8 | | |
| 373 | H | 32.6 | Very low | 38.9 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | | 165.9 | 128.1 | 120.4 | -102.2 | -92.1 | 0 | 0 | 0 | 113 | | |
| 374 | Q | 33.6 | Very low | 38.5 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 60.9 | 148.3 | 148.9 | -63.3 | 175.9 | 109.4 | 0 | 0 | 120 | | |
| 375 | S | 31.3 | Very low | 37 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | cis | -165.7 | 171 | -20 | 53.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 376 | A | 34.2 | Very low | 37.3 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | 70.3 | 157.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 377 | A | 32.8 | Very low | 37.4 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -123.6 | 165.1 | -153.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 378 | P | 46.3 | Very low | 36.8 | Very low | 126 Ų | 126 | 154.7 Ų | 154.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -104.2 | 165.8 | -155.9 | 39.9 | -37 | 0 | 0 | 0 | 116.8 | | |
| 379 | Y | 35.3 | Very low | 36.9 | Very low | 203 Ų | 203 | 155.5 Ų | 155.5 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | | | trans | -60.4 | 149.9 | 160.4 | -149.7 | -96.9 | 0 | 0 | 0 | 111.9 | | |
| 380 | R | 38 | Very low | 37.1 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | 157.6 | 122.9 | 135.1 | -83.7 | -73.8 | -168.4 | -129.9 | 1.2 | 115.4 | | |
| 381 | K | 36.6 | Very low | 37.1 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | 46.9 | 117.1 | 135.3 | -65.3 | -167.2 | 174.3 | -166 | 0 | 122.6 | | |
| 382 | Y | 37.4 | Very low | 36.5 | Very low | 199 Ų | 199 | 157.1 Ų | 157.1 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | | | | 41.9 | 114.8 | 118.8 | -171.5 | -88.4 | 0 | 0 | 0 | 119.7 | | |
| 383 | K | 32.8 | Very low | 35.8 | Very low | 200 Ų | 200 | 163.4 Ų | 163.4 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | -156 | 133.6 | 138.2 | -132.5 | 176.8 | -174.7 | 179.3 | 0 | 115.5 | | |
| 384 | Q | 41.8 | Very low | 36 | Very low | 158 Ų | 158 | 160.2 Ų | 160.2 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | trans | -56.8 | 134.3 | 162.5 | 165.2 | -162.2 | 12.6 | 0 | 0 | 113.5 | | |
| 385 | R | 31 | Very low | 36.2 | Very low | 236 Ų | 236 | 160.1 Ų | 160.1 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | | -173.8 | 152.2 | 119.6 | -157.8 | 165.7 | -168.1 | -136.9 | 0.5 | 112.3 | | |
| 386 | S | 39.5 | Very low | 36.1 | Very low | 116 Ų | 116 | 158.4 Ų | 158.4 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -64.4 | 155 | 175.9 | -26.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 387 | K | 39.8 | Very low | 36.2 | Very low | 205 Ų | 205 | 158.9 Ų | 158.9 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -142.3 | 134.7 | 148.8 | -171.3 | 169.9 | 178.9 | -176.1 | 0 | 111.9 | | |
| 388 | E | 34.9 | Very low | 36.5 | Very low | 149 Ų | 149 | 162.5 Ų | 162.5 | 70% | 0.696 | 81% | 0.809 | S | S | * | * | | | trans | -74.9 | 144.6 | 172.1 | 173.3 | -168 | 160.7 | 0 | 0 | 111.8 | | |
| 389 | S | 30.3 | Very low | 35.8 | Very low | 121 Ų | 121 | 160.2 Ų | 160.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -149.6 | 123.8 | 157.8 | -166.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 390 | Q | 38.9 | Very low | 35.9 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | | | trans | -83.8 | 167.3 | 174.1 | -61.1 | 173.4 | -10.2 | 0 | 0 | 111 | | |
| 391 | G | 32.1 | Very low | 36.4 | Very low | 66 Ų | 66 | 152.9 Ų | 152.9 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | trans | 127.9 | 84.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 392 | Y | 33.7 | Very low | 36.1 | Very low | 242 Ų | 242 | 147.7 Ų | 147.7 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | | | trans | -144.7 | 134.6 | 132.7 | -108.3 | -79.7 | 0 | 0 | 0 | 110.4 | | |
| 393 | R | 38.3 | Very low | 36.6 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | | | trans | -88.3 | 167.3 | 168 | -72.4 | -173.2 | -173.2 | -137.4 | 9.7 | 108.7 | | |
| 394 | A | 38.1 | Very low | 36.7 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | cis | -170.9 | -145.5 | -24.7 | 0 | 0 | 0 | 0 | 0 | 104.6 | | |
| 395 | L | 37.5 | Very low | 36.7 | Very low | 168 Ų | 168 | 140 Ų | 140 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | | | cis | -165.1 | 136.8 | -1.5 | -149.5 | 174.8 | 0 | 0 | 0 | 107.6 | | |
| 396 | G | 29.4 | Very low | 37.2 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | 157.7 | 141.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 397 | S | 36.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -165.1 | 155.8 | 175.1 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 398 | L | 37.6 | Very low | 37.2 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | 77.2 | 126.4 | 160.1 | -150.1 | 75.1 | 0 | 0 | 0 | 119.6 | | |
| 399 | G | 31.5 | Very low | 37.1 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | 153.5 | 130.5 | 164 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 400 | S | 37.6 | Very low | 37.3 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -101.5 | 174 | 173.8 | -126.7 | 0 | 0 | 0 | 0 | 111 | | |
| 401 | P | 48.6 | Very low | 37.1 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -137.9 | -173.4 | 27.1 | 38.4 | -16 | 0 | 0 | 0 | 117.4 | | |
| 402 | G | 29.8 | Very low | 37.2 | Very low | 67 Ų | 67 | 145 Ų | 145 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | trans | -90.3 | -148.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 403 | P | 48.8 | Very low | 37.4 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | cis | -139.5 | -152.8 | 13.4 | 39.2 | -15.4 | 0 | 0 | 0 | 115.8 | | |
| 404 | I | 35.7 | Very low | 37.6 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | 82.4 | 108.7 | 170.1 | -64.8 | 169.6 | 0 | 0 | 0 | 115 | | |
| 405 | V | 41.5 | Very low | 37.5 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | | 66.7 | 119.7 | 80.1 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 406 | E | 41.4 | Very low | 37.6 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | | -139.6 | 137 | 65.7 | -73.9 | -176.8 | 103.6 | 0 | 0 | 113.1 | | |
| 407 | K | 39.8 | Very low | 38.5 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | | 83 | 96 | 82.7 | -152.1 | 177.8 | -175.5 | -169.4 | 0 | 113.9 | | |
| 408 | E | 39.1 | Very low | 38.4 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | | 71.7 | 129.5 | 98.8 | -142.7 | -153.6 | 120.3 | 0 | 0 | 112.7 | | |
| 409 | Q | 32.8 | Very low | 38.2 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | cis | -124.9 | -168.9 | 26.7 | -77.8 | 179.5 | 1 | 0 | 0 | 110.6 | | |
| 410 | V | 35.3 | Very low | 38.7 | Very low | 135 Ų | 135 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -137.2 | 173.6 | 18.5 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 411 | R | 34.4 | Very low | 38.7 | Very low | 236 Ų | 236 | 146 Ų | 146 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | | | trans | -75.6 | 150.2 | -177.7 | -56.3 | 171.5 | 173.3 | -172.4 | -4 | 114.2 | | |
| 412 | D | 32.8 | Very low | 38.2 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | | -148.3 | 149.2 | 127.8 | -163.9 | 14.5 | 0 | 0 | 0 | 110.9 | | |
| 413 | L | 38.2 | Very low | 38.9 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | | | trans | -169.5 | 150.3 | -171.2 | -87.4 | -175.5 | 0 | 0 | 0 | 111.3 | | |
| 414 | P | 43.8 | Very low | 39 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | | | | -133.3 | 144.2 | -58.7 | 36.1 | -18.7 | 0 | 0 | 0 | 112.6 | V416 | P414-V416 PolarHBondContact O-N 2.77Š|
| 415 | S | 35.8 | Very low | 39.9 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 94% | 0.944 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 123.1 | 173.1 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 416 | V | 39.2 | Very low | 40.7 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 150.3 | -175.7 | 177.1 | 0 | 0 | 0 | 0 | 112 | P414 | P414-V416 PolarHBondContact O-N 2.77Š|
| 417 | L | 47.4 | Very low | 41.5 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 146.1 | 176.4 | -64 | 163.1 | 0 | 0 | 0 | 114.2 | | |
| 418 | L | 36.6 | Very low | 42.8 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -148.6 | 121.1 | 153.9 | -123.1 | 170.6 | 0 | 0 | 0 | 113.8 | | |
| 419 | Y | 32.9 | Very low | 44 | Very low | 221 Ų | 221 | 150.1 Ų | 150.1 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | 78 | 156.5 | 160.8 | -132.9 | -100.5 | 0 | 0 | 0 | 121.2 | | |
| 420 | E | 42.3 | Very low | 45.5 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -141.9 | 145 | -157.1 | 175.8 | -174.3 | 160.1 | 0 | 0 | 110.2 | | |
| 421 | G | 36.8 | Very low | 46.9 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 89.1 | 115 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 422 | G | 37.3 | Very low | 48.3 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | -178.5 | 101.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A424 | G422-A424 PolarHBondContact O-N 3.09Š|
| 423 | L | 45.8 | Very low | 49.9 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | -66.7 | 131.5 | 177.1 | -79.5 | 163.3 | 0 | 0 | 0 | 110.3 | Q425 | L423-Q425 PolarHBondContact O-N 3.45Š|
| 424 | A | 50.2 | Low | 51.3 | Low | 97 Ų | 97 | 145.6 Ų | 145.6 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | -61.1 | 111.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G422 V426 | G422-A424 PolarHBondContact O-N 3.09Å; A424-V426 PolarHBondContact O-N 2.88Å |
| 425 | Q | 55.2 | Low | 52.3 | Low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -69.8 | 113.9 | 175.7 | -70.2 | -171.8 | -6 | 0 | 0 | 109.6 | L423 V427 | L423-Q425 PolarHBondContact O-N 3.45Å; Q425-V427 PolarHBondContact O-N 2.93Å |
| 426 | V | 57.9 | Low | 53.8 | Low | 138 Ų | 138 | 150 Ų | 150 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | -70.9 | 99 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | A424 Q428 | A424-V426 PolarHBondContact O-N 2.88Å; V426-Q428 PolarHBondContact O-N 3Å |
| 427 | V | 58.9 | Low | 55 | Low | 114 Ų | 114 | 151.1 Ų | 151.1 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | -69.7 | 94.3 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | Q425 R429 | Q425-V427 PolarHBondContact O-N 2.93Å; V427-R429 VanDerWaalsContact C-N 3.35Å; V427-R429 HydrophobicContact CG1-CG 4.33Å; V427-R429 PolarHBondContact O-N 2.94Å |
| 428 | Q | 66.8 | Low | 56 | Low | 144 Ų | 144 | 150.2 Ų | 150.2 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | | | trans | -69.7 | 91.5 | 173.4 | -171.4 | 171.8 | -47.9 | 0 | 0 | 109.4 | V426 H430 | V426-Q428 PolarHBondContact O-N 3Å; Q428-H430 PolarHBondContact NE2-CE1 2.9Å; Q428-H430 PolarHBondContact NE2-NE2 3.31Å; Q428-H430 PolarHBondContact O-CE1 2.99Å; Q428-H430 PolarHBondContact O-N 3.37Å; Q428-H430 PolarHBondContact O-ND1 3.36Å |
| 429 | R | 64.1 | Low | 57.2 | Low | 232 Ų | 232 | 149.1 Ų | 149.1 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | | | trans | -67 | 122 | 171.5 | -75.3 | -171.9 | 157.3 | -149.8 | -7 | 109.3 | V427 | V427-R429 VanDerWaalsContact C-N 3.35Å; V427-R429 HydrophobicContact CG1-CG 4.33Å; V427-R429 PolarHBondContact O-N 2.94Å |
| 430 | H | 63 | Low | 58.9 | Low | 125 Ų | 125 | 146.2 Ų | 146.2 | 58% | 0.579 | 75% | 0.751 | S | S | * | * | | | trans | -97.7 | 130.1 | 175.7 | -66.4 | 81.8 | 0 | 0 | 0 | 109 | Q428 H432 | Q428-H430 PolarHBondContact NE2-CE1 2.9Å; Q428-H430 PolarHBondContact NE2-NE2 3.31Å; Q428-H430 PolarHBondContact O-CE1 2.99Å; Q428-H430 PolarHBondContact O-N 3.37Å; Q428-H430 PolarHBondContact O-ND1 3.36Å; H430-H432 PolarHBondContact O-CD2 3.24Å |
| 431 | E | 65.8 | Low | 59.8 | Low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -99.4 | 105 | -172.9 | -170.1 | 176 | 172 | 0 | 0 | 110.6 | H433 | E431-H433 IonicContact OE1-CE1 3.59Å; E431-H433 PolarHBondContact OE1-CE1 3.24Å; E431-H433 IonicContact OE1-NE2 3.14Å |
| 432 | H | 63.3 | Low | 60.8 | Low | 145 Ų | 145 | 152 Ų | 152 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | trans | -95.5 | 99.9 | -176.3 | -67.2 | -86.1 | 0 | 0 | 0 | 110.9 | H430 H434 | H430-H432 PolarHBondContact O-CD2 3.24Å; H432-H434 PolarHBondContact O-CD2 3.13Å; H432-H434 PolarHBondContact O-N 3.26Å |
| 433 | H | 66.9 | Low | 62 | Low | 159 Ų | 159 | 156 Ų | 156 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | | | trans | -77.4 | 112.2 | 174.9 | -78.8 | 72.8 | 0 | 0 | 0 | 110.9 | E431 | E431-H433 IonicContact OE1-CE1 3.59Å; E431-H433 PolarHBondContact OE1-CE1 3.24Å; E431-H433 IonicContact OE1-NE2 3.14Å |
| 434 | H | 66.6 | Low | 62.6 | Low | 150 Ų | 150 | 155.4 Ų | 155.4 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | | | trans | -96.3 | 96.9 | 176.4 | -71.1 | -85.4 | 0 | 0 | 0 | 111.5 | H432 H436 | H432-H434 PolarHBondContact O-CD2 3.13Å; H432-H434 PolarHBondContact O-N 3.26Å; H434-H436 PolarHBondContact O-ND1 3.28Å |
| 435 | H | 65.3 | Low | 62.7 | Low | 185 Ų | 185 | 160.2 Ų | 160.2 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | | | trans | -71.3 | 130.2 | 174.3 | -148.1 | 65.3 | 0 | 0 | 0 | 110.5 | | |
| 436 | H | 68.4 | Low | 62.5 | Low | 143 Ų | 143 | 162.3 Ų | 162.3 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | | | trans | -113.8 | 122 | 175.5 | -77.1 | 68.6 | 0 | 0 | 0 | 108.8 | H434 | H434-H436 PolarHBondContact O-ND1 3.28Š|
| 437 | E | 63.9 | Low | 62.4 | Low | 153 Ų | 153 | 165.2 Ų | 165.2 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | | | trans | -104.3 | 129.1 | 176.6 | -167.3 | 177.8 | 165 | 0 | 0 | 109.7 | H439 | E437-H439 IonicContact OE1-CE1 3.62Å; E437-H439 PolarHBondContact OE1-CE1 3.46Å; E437-H439 VanDerWaalsContact OE1-CE1 3.29Å; E437-H439 IonicContact OE1-ND1 3.14Å |
| 438 | H | 67.4 | Low | 62.2 | Low | 145 Ų | 145 | 168.7 Ų | 168.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -106.3 | 107.2 | -177.6 | -68.6 | -73.3 | 0 | 0 | 0 | 110.8 | H440 | H438-H440 PolarHBondContact O-N 3.41Š|
| 439 | H | 63.4 | Low | 62 | Low | 139 Ų | 139 | 169.9 Ų | 169.9 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | | | trans | -84.2 | 103.5 | 177 | -64.2 | -25.1 | 0 | 0 | 0 | 111.9 | E437 H441 | E437-H439 IonicContact OE1-CE1 3.62Å; E437-H439 PolarHBondContact OE1-CE1 3.46Å; E437-H439 VanDerWaalsContact OE1-CE1 3.29Å; E437-H439 IonicContact OE1-ND1 3.14Å; H439-H441 PolarHBondContact O-N 3.14Å; H439-H441 PolarHBondContact O-ND1 3.31Å |
| 440 | H | 66.9 | Low | 61.9 | Low | 161 Ų | 161 | 166.6 Ų | 166.6 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | | | trans | -69.7 | 117.3 | 175.1 | -61.8 | -70.3 | 0 | 0 | 0 | 111.9 | H438 | H438-H440 PolarHBondContact O-N 3.41Š|
| 441 | H | 62.7 | Low | 61.8 | Low | 164 Ų | 164 | 168.9 Ų | 168.9 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -84.9 | 116.2 | 171.3 | -79.5 | 60.3 | 0 | 0 | 0 | 110.6 | H439 | H439-H441 PolarHBondContact O-N 3.14Å; H439-H441 PolarHBondContact O-ND1 3.31Å |
| 442 | Y | 56.6 | Low | 61.6 | Low | 208 Ų | 208 | 169.4 Ų | 169.4 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -84.2 | 113.4 | 171.9 | -87.8 | -91.2 | 0 | 0 | 0 | 110.8 | H444 | Y442-H444 PolarHBondContact O-N 3.22Š|
| 443 | H | 63.1 | Low | 61.4 | Low | 161 Ų | 161 | 170.9 Ų | 170.9 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | | | trans | -79.5 | 106.5 | 168.8 | -83.9 | -86.6 | 0 | 0 | 0 | 110.7 | F445 | H443-F445 HydrophobicContact CB-CE2 4.44Å; H443-F445 PolarHBondContact O-N 3.38Å |
| 444 | H | 57.7 | Low | 61.1 | Low | 162 Ų | 162 | 171.7 Ų | 171.7 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | | | trans | -76 | 104.9 | 167.3 | -70.8 | -83.2 | 0 | 0 | 0 | 110.1 | Y442 Y446 | Y442-H444 PolarHBondContact O-N 3.22Å; H444-Y446 PolarHBondContact O-N 3.13Å |
| 445 | F | 52.1 | Low | 60.7 | Low | 197 Ų | 197 | 173.3 Ų | 173.3 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -73.8 | 110.1 | 166.1 | -79.7 | -90.7 | 0 | 0 | 0 | 109.6 | H443 | H443-F445 HydrophobicContact CB-CE2 4.44Å; H443-F445 PolarHBondContact O-N 3.38Å |
| 446 | Y | 52.8 | Low | 60.3 | Low | 222 Ų | 222 | 172.4 Ų | 172.4 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | | | trans | -78.1 | 125.1 | 159.4 | -91.6 | -92.9 | 0 | 0 | 0 | 108.7 | H444 | H444-Y446 PolarHBondContact O-N 3.13Š|
| 447 | Q | 55.7 | Low | 59.7 | Low | 200 Ų | 200 | 174.8 Ų | 174.8 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | | | trans | -90.7 | 127.5 | 175.3 | -167.6 | 167.1 | 20.9 | 0 | 0 | 109.1 | | |
| 448 | S | 53.7 | Low | 59.3 | Low | 186 Ų | 186 | 176.8 Ų | 176.8 | 100% | 1.301 | 83% | 0.827 | S | S | * | * | | | trans | -122.5 | 0 | 179.8 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | | |