| 1 | M | 50.8 | Low | 48.3 | Very low | 107 Ų | 107 | 82.8 Ų | 82.8 | 53% | 0.527 | 37% | 0.374 | S | S | . | . | | | | 0 | 133 | 0 | -177.3 | -178.3 | -177.5 | 0 | 0 | 109.8 | T194 Y196 M252 D254 | M1-T194 HydrophobicContact CE-CG2 3.51Å; M1-Y196 HydrophobicContact CE-CE1 4.25Å; M1-M252 PolarHBondContact N-O 2.64Å; M1-M252 WeakPolarHBondContact O-CA 3.26Å; M1-M252 VanDerWaalsContact O-CB 3.26Å; M1-M252 WeakPolarHBondContact O-CB 3.41Å; M1-M252 PolarHBondContact O-N 2.95Å; M1-D254 PolarHBondContact N-OD1 3.1Å; M1-D254 PolarHBondContact N-OD2 2.84Å |
| 2 | C | 50 | Low | 47.5 | Very low | 10 Ų | 10 | 86.9 Ų | 86.9 | 7% | 0.068 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.2 | -169.1 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | T194 L195 V204 | C2-T194 CarbonylContact O-C 3.53Å; C2-T194 WeakPolarHBondContact O-CA 3.45Å; C2-L195 HydrophobicContact CB-CB 3.84Å; C2-L195 PolarHBondContact N-O 3.3Å; C2-L195 PolarHBondContact O-N 2.83Å; C2-V204 HydrophobicContact CB-CG2 4.39Å; C2-V204 VanDerWaalsContact SG-CG2 3.6Å |
| 3 | R | 48.1 | Very low | 47.4 | Very low | 144 Ų | 144 | 87.5 Ų | 87.5 | 54% | 0.543 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.7 | 179.3 | -177 | 177.6 | 176.6 | 174.1 | -1 | 110.8 | V192 S250 | R3-V192 HydrophobicContact CG-CG1 4.07Å; R3-S250 CarbonylContact C-O 3.51Å; R3-S250 PolarHBondContact N-O 3.36Å; R3-S250 CarbonylContact O-C 3.42Å; R3-S250 WeakPolarHBondContact O-CA 3.12Å; R3-S250 PolarHBondContact O-N 2.78Å; R3-S250 PolarHBondContact O-OG 2.89Å |
| 4 | I | 50 | Low | 46.8 | Very low | 6 Ų | 6 | 93.2 Ų | 93.2 | 3% | 0.031 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.5 | -176.9 | -63.8 | 167.8 | 0 | 0 | 0 | 107.6 | I6 V192 F193 L195 L212 I247 L249 | I4-I6 HydrophobicContact CG2-CG1 4.43Å; I4-V192 CarbonylContact O-C 3.49Å; I4-V192 WeakPolarHBondContact O-CA 3.48Å; I4-V192 WeakPolarHBondContact O-CG1 3.38Å; I4-F193 HydrophobicContact CB-CB 4.18Å; I4-F193 HydrophobicContact CG2-CD2 4.44Å; I4-F193 PolarHBondContact N-O 3Å; I4-F193 PolarHBondContact O-N 2.98Å; I4-L195 HydrophobicContact CD1-CD1 4.12Å; I4-L195 HydrophobicContact CD1-CG 4.25Å; I4-L212 HydrophobicContact CD1-CD2 3.22Å; I4-I247 HydrophobicContact CG2-CG2 4.35Å; I4-L249 HydrophobicContact CB-CD2 4.35Å; I4-L249 HydrophobicContact CD1-CD2 3.64Å; I4-L249 HydrophobicContact CG1-CD2 3.67Å; I4-L249 HydrophobicContact CG2-CD2 3.82Å |
| 5 | S | 48.4 | Very low | 46.4 | Very low | 22 Ų | 22 | 94.2 Ų | 94.2 | 15% | 0.154 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.3 | 171.3 | 165.2 | 0 | 0 | 0 | 0 | 108.5 | E190 W191 K248 | S5-E190 VanDerWaalsContact OG-CG 3.26Å; S5-E190 WeakPolarHBondContact OG-CG 3.36Å; S5-E190 PolarHBondContact OG-OE1 3.38Å; S5-W191 WeakPolarHBondContact CA-O 3.41Å; S5-K248 PolarHBondContact N-O 2.91Å; S5-K248 WeakPolarHBondContact O-CA 3.39Å; S5-K248 WeakPolarHBondContact O-CB 3.27Å; S5-K248 PolarHBondContact O-N 3.35Å |
| 6 | I | 51.2 | Low | 45.8 | Very low | 7 Ų | 7 | 93.4 Ų | 93.4 | 4% | 0.036 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.5 | 169.6 | -46.5 | -177.4 | 0 | 0 | 0 | 107 | I4 E190 W191 F193 I216 F245 K246 I247 | I4-I6 HydrophobicContact CG2-CG1 4.43Å; I6-E190 CarbonylContact O-C 3.58Å; I6-E190 VanDerWaalsContact O-CA 3.25Å; I6-E190 WeakPolarHBondContact O-CA 3.1Å; I6-W191 HydrophobicContact CB-CB 4.21Å; I6-W191 PolarHBondContact N-O 3.41Å; I6-W191 PolarHBondContact O-N 3.23Å; I6-F193 HydrophobicContact CD1-CD2 4.21Å; I6-F193 HydrophobicContact CD1-CE2 3.58Å; I6-F193 HydrophobicContact CD1-CZ 4.49Å; I6-F193 HydrophobicContact CG1-CD2 4.35Å; I6-F193 HydrophobicContact CG1-CE2 4.07Å; I6-I216 HydrophobicContact CD1-CD1 4.07Å; I6-I216 HydrophobicContact CD1-CG2 4.05Å; I6-F245 HydrophobicContact CG2-CB 4.4Å; I6-K246 WeakPolarHBondContact CA-O 3.21Å; I6-I247 HydrophobicContact CD1-CD1 4.49Å; I6-I247 HydrophobicContact CD1-CG1 4.09Å; I6-I247 HydrophobicContact CG1-CB 4.43Å; I6-I247 HydrophobicContact CG1-CG1 4.05Å; I6-I247 HydrophobicContact CG1-CG2 4.26Å; I6-I247 HydrophobicContact CG2-CG1 3.94Å |
| 7 | K | 48.5 | Very low | 45.4 | Very low | 97 Ų | 97 | 96.6 Ų | 96.6 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.6 | 178.5 | -160.1 | 180 | -169.8 | 92.8 | 0 | 111.1 | E190 K246 | K7-E190 HydrophobicContact CG-CG 4.49Å; K7-E190 IonicContact NZ-OE2 2.6Å; K7-E190 PolarHBondContact NZ-OE2 3.05Å; K7-K246 PolarHBondContact N-O 3.2Å; K7-K246 PolarHBondContact O-N 3.47Å |
| 8 | E | 49.7 | Very low | 45.3 | Very low | 42 Ų | 42 | 102.8 Ų | 102.8 | 20% | 0.196 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 137.3 | 168.8 | -171.8 | 171.4 | -144.7 | 0 | 0 | 110.7 | Q189 F245 | E8-Q189 PolarHBondContact N-O 2.75Å; E8-Q189 PolarHBondContact OE2-N 3.08Å; E8-F245 HydrophobicContact CG-CE1 4.41Å |
| 9 | R | 45.4 | Very low | 45 | Very low | 183 Ų | 183 | 107.6 Ų | 107.6 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.1 | 119.6 | 171.4 | -81.4 | -170.4 | 172.7 | -162.6 | -2.8 | 109.6 | | |
| 10 | H | 48.4 | Very low | 44.7 | Very low | 143 Ų | 143 | 111.7 Ų | 111.7 | 66% | 0.662 | 58% | 0.582 | S | S | * | * | | | trans | -75.7 | 139.5 | 158.8 | -81.3 | -79.6 | 0 | 0 | 0 | 110.3 | | |
| 11 | L | 40.7 | Very low | 44.3 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | | | trans | -76.3 | 148 | 160.4 | -65.9 | 171.7 | 0 | 0 | 0 | 109.2 | A13 | L11-A13 PolarHBondContact O-N 3.33Š|
| 12 | P | 39.2 | Very low | 43.5 | Very low | 132 Ų | 132 | 117 Ų | 117 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | | | trans | -72.7 | 109.4 | 179.6 | 29.1 | -33.5 | 0 | 0 | 0 | 111.1 | | |
| 13 | A | 45.4 | Very low | 42.6 | Very low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | | | trans | -93.3 | 138.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L11 | L11-A13 PolarHBondContact O-N 3.33Š|
| 14 | N | 39.9 | Very low | 41.8 | Very low | 167 Ų | 167 | 121 Ų | 121 | 89% | 0.893 | 65% | 0.649 | S | S | * | * | | | trans | -78.4 | 166.5 | 173.6 | -84.1 | -31.3 | 0 | 0 | 0 | 111.9 | | |
| 15 | A | 40.3 | Very low | 40.8 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | | | trans | 85.7 | 153.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 16 | A | 36.4 | Very low | 39.9 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | | | trans | -81.2 | 171.5 | -153.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 17 | N | 39.2 | Very low | 38.8 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | 63 | 117.6 | 158.6 | -65.3 | -27 | 0 | 0 | 0 | 119.2 | | |
| 18 | F | 43.6 | Very low | 37.8 | Very low | 207 Ų | 207 | 137.6 Ų | 137.6 | 91% | 0.908 | 75% | 0.749 | S | S | * | * | | | | -173.3 | 175.2 | 112.1 | -106.4 | -74.6 | 0 | 0 | 0 | 111 | | |
| 19 | K | 40.9 | Very low | 36.7 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | trans | -96 | 169.3 | -162.5 | -67.1 | -177.9 | 177.7 | 179 | 0 | 114.9 | | |
| 20 | H | 37.8 | Very low | 35.9 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | | | trans | -50.8 | 145.8 | -173.3 | -68.1 | -61.4 | 0 | 0 | 0 | 117.1 | | |
| 21 | Y | 37.2 | Very low | 34.8 | Very low | 221 Ų | 221 | 139 Ų | 139 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -137.7 | 153.7 | 150.9 | -86.5 | -87.9 | 0 | 0 | 0 | 109.8 | | |
| 22 | P | 33.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -80.5 | 152.7 | -178.4 | 32.9 | -35 | 0 | 0 | 0 | 113 | | |
| 23 | S | 31 | Very low | 33.8 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -76.3 | 144.1 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 24 | V | 31 | Very low | 32.9 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | -119.5 | 111.6 | 178.4 | -169.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 25 | H | 29 | Very low | 32.5 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | -74.2 | 134.3 | 168.8 | -103.4 | -100.6 | 0 | 0 | 0 | 110.1 | | |
| 26 | S | 29.5 | Very low | 32.1 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 55% | 0.545 | 80% | 0.796 | S | S | . | * | | | trans | -133 | 124.2 | 173.1 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 27 | T | 28.2 | Very low | 32 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | | | trans | -112 | 115.1 | -179 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 28 | V | 27.8 | Very low | 31.9 | Very low | 119 Ų | 119 | 147 Ų | 147 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 118 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 29 | H | 26.6 | Very low | 31.3 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 118.4 | 171.1 | -74.1 | -90.9 | 0 | 0 | 0 | 110.4 | | |
| 30 | A | 28 | Very low | 30.8 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 130 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 31 | V | 25.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | -116.8 | 108.2 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 32 | A | 29 | Very low | 29.7 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 33 | R | 29.7 | Very low | 29.2 | Very low | 243 Ų | 243 | 137.6 Ų | 137.6 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77 | 135.5 | 177.9 | -77.1 | 178 | 165.5 | 175.1 | -5.4 | 111.1 | | |
| 34 | T | 28 | Very low | 29 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 132.4 | 162.6 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 35 | G | 30.6 | Very low | 28.8 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -129 | 127.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 36 | R | 31.6 | Very low | 28.7 | Very low | 233 Ų | 233 | 137.9 Ų | 137.9 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | -136.3 | 145.8 | -173.2 | -132.2 | -172.2 | -164.8 | 176.1 | 4.9 | 110.8 | | |
| 37 | N | 34.9 | Very low | 28.7 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | 98 | 149.5 | 155.7 | -55.3 | -11.1 | 0 | 0 | 0 | 120.2 | | |
| 38 | S | 37.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | | | trans | 65.4 | 85.3 | 151.9 | 45.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 39 | S | 30.5 | Very low | 28.8 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | | | trans | -24.5 | 139 | 138.4 | 52.1 | 0 | 0 | 0 | 0 | 117 | | |
| 40 | G | 31.3 | Very low | 28.6 | Very low | 74 Ų | 74 | 142.4 Ų | 142.4 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | | | trans | -156.4 | 124.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 41 | N | 24.3 | Very low | 28.6 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 91% | 0.914 | 84% | 0.836 | S | S | * | * | | | trans | -83 | 138.2 | 176.2 | -80.3 | -7 | 0 | 0 | 0 | 110.5 | | |
| 42 | L | 26.2 | Very low | 28.6 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 94% | 0.942 | 83% | 0.834 | S | S | * | * | | | trans | -145.3 | 149.1 | 150.2 | -161.4 | 63.1 | 0 | 0 | 0 | 109.3 | | |
| 43 | E | 22.4 | Very low | 28.4 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 84% | 0.841 | S | S | * | * | | | trans | -112.7 | -176.3 | -168.4 | -168.2 | 177.5 | -179.4 | 0 | 0 | 110.7 | | |
| 44 | I | 26.7 | Very low | 28.5 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 71% | 0.713 | 84% | 0.84 | S | S | * | * | | | trans | 95.5 | 92.4 | 160.1 | -56 | 173.9 | 0 | 0 | 0 | 117.3 | | |
| 45 | T | 27 | Very low | 28.7 | Very low | 129 Ų | 129 | 149 Ų | 149 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | | | trans | 59.5 | 144.2 | 138.6 | 62.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 46 | N | 27.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | | | trans | -61.3 | 149.6 | 162.5 | -65.7 | -37.7 | 0 | 0 | 0 | 112.3 | | |
| 47 | D | 30.4 | Very low | 29 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | | | | -158.3 | 162.3 | 121.2 | -108.8 | -25.1 | 0 | 0 | 0 | 110.9 | | |
| 48 | T | 27.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | | | trans | -90.3 | 133.5 | -172.5 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 49 | N | 29.4 | Very low | 28.6 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | | | trans | -167.4 | 161.1 | 141.5 | -108.3 | -59.8 | 0 | 0 | 0 | 112.4 | | |
| 50 | A | 23.8 | Very low | 28.6 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | | | trans | -105 | 144.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 51 | T | 27.8 | Very low | 28.5 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 91% | 0.908 | 84% | 0.835 | S | S | * | * | | | trans | -133.5 | 129.6 | 162.5 | -61.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 52 | A | 24.2 | Very low | 29 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | | | trans | -113.2 | 144.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 53 | M | 25.2 | Very low | 29.3 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 95% | 0.946 | 82% | 0.818 | S | S | * | * | | | trans | -120.5 | 141.4 | 161.9 | -81.6 | -168 | -86 | 0 | 0 | 110.4 | | |
| 54 | K | 31.4 | Very low | 29.6 | Very low | 209 Ų | 209 | 144 Ų | 144 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 147 | -168.4 | -69.5 | 179.5 | 176.2 | 177.9 | 0 | 112.5 | | |
| 55 | R | 31.9 | Very low | 29.6 | Very low | 223 Ų | 223 | 143.6 Ų | 143.6 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 164.8 | 165.3 | -59.2 | 175.9 | 174.5 | 166.8 | -4.7 | 111.2 | | |
| 56 | P | 36.2 | Very low | 29.6 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 170.4 | 139.8 | 33.8 | -28.5 | 0 | 0 | 0 | 112.4 | | |
| 57 | F | 33 | Very low | 29.6 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 91% | 0.908 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 167.8 | -163 | -57.8 | -95 | 0 | 0 | 0 | 112.2 | | |
| 58 | G | 31.3 | Very low | 29.6 | Very low | 63 Ų | 63 | 145.6 Ų | 145.6 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | | | cis | 164.2 | -147.2 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 59 | I | 33.6 | Very low | 29.6 | Very low | 187 Ų | 187 | 143 Ų | 143 | 96% | 0.959 | 82% | 0.82 | S | S | * | * | | | trans | 68.7 | 100.9 | 179.1 | -46.8 | 178.8 | 0 | 0 | 0 | 114.7 | | |
| 60 | G | 29.9 | Very low | 29.6 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | | | trans | 157.5 | 123.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V62 | G60-V62 PolarHBondContact O-N 2.96Š|
| 61 | S | 29.9 | Very low | 30 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | -73.9 | 120.2 | -175.5 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 62 | V | 34.9 | Very low | 30.1 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | | | trans | -131.2 | 106.8 | 175.7 | -76.6 | 0 | 0 | 0 | 0 | 110.4 | G60 S64 | G60-V62 PolarHBondContact O-N 2.96Å; V62-S64 PolarHBondContact O-N 3.33Å |
| 63 | K | 31.3 | Very low | 30.4 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 74% | 0.739 | 82% | 0.815 | S | S | * | * | | | trans | -74.5 | 112 | 168.8 | -70.1 | -179.5 | 178.3 | 177.6 | 0 | 108.6 | L65 | K63-L65 PolarHBondContact O-N 3.14Š|
| 64 | S | 28.2 | Very low | 31 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -70.4 | 116.5 | 173.7 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | V62 | V62-S64 PolarHBondContact O-N 3.33Š|
| 65 | L | 28.4 | Very low | 31.3 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 68% | 0.681 | 81% | 0.807 | S | S | * | * | | | trans | -86.2 | 139.5 | 167.7 | -117.9 | 74.2 | 0 | 0 | 0 | 110.7 | K63 F67 | K63-L65 PolarHBondContact O-N 3.14Å; L65-F67 HydrophobicContact CB-CE2 4.04Å; L65-F67 HydrophobicContact CB-CZ 3.89Å; L65-F67 HydrophobicContact CD2-CE1 3.84Å; L65-F67 HydrophobicContact CD2-CZ 3.87Å; L65-F67 HydrophobicContact CG-CZ 4.49Å |
| 66 | K | 26.4 | Very low | 32 | Very low | 207 Ų | 207 | 133.8 Ų | 133.8 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | | | trans | -117.6 | 118.2 | 176.5 | -175.6 | 179.1 | -179.1 | -178.2 | 0 | 107.8 | | |
| 67 | F | 27.5 | Very low | 32.1 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | -95.8 | 137.4 | -173.7 | -59.4 | -85.2 | 0 | 0 | 0 | 111.7 | L65 | L65-F67 HydrophobicContact CB-CE2 4.04Å; L65-F67 HydrophobicContact CB-CZ 3.89Å; L65-F67 HydrophobicContact CD2-CE1 3.84Å; L65-F67 HydrophobicContact CD2-CZ 3.87Å; L65-F67 HydrophobicContact CG-CZ 4.49Å |
| 68 | A | 29.7 | Very low | 32.4 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | -135.7 | 138.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 69 | G | 27.1 | Very low | 32.5 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | | | trans | -120.5 | 155.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 70 | A | 30.2 | Very low | 32.4 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -137.1 | 139.8 | 161 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 71 | F | 31.5 | Very low | 32.6 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | -121.7 | 128.5 | 178 | -75.7 | -80.9 | 0 | 0 | 0 | 109.4 | | |
| 72 | G | 30 | Very low | 32.6 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -96.4 | 144.2 | 156 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 73 | S | 31.8 | Very low | 32.3 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -98 | 130.3 | 172.2 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 74 | C | 36.2 | Very low | 32.2 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | | | trans | -121.4 | 120.3 | 158.3 | -64 | 0 | 0 | 0 | 0 | 107 | | |
| 75 | D | 37.3 | Very low | 32.2 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -90.7 | 104.6 | 176.8 | -59.6 | -83.8 | 0 | 0 | 0 | 109.3 | | |
| 76 | D | 47.7 | Very low | 32.3 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | -154.1 | 131.3 | 162.6 | -99.6 | -45.7 | 0 | 0 | 0 | 109.3 | | |
| 77 | D | 38.9 | Very low | 32.4 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -96.2 | -174.6 | -166.7 | -104.7 | -44.6 | 0 | 0 | 0 | 113.6 | K79 | D77-K79 PolarHBondContact O-N 3.12Š|
| 78 | D | 38.3 | Very low | 32.6 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 84.1 | -25.6 | 161.7 | -69.5 | -14.8 | 0 | 0 | 0 | 122.2 | | |
| 79 | K | 33.6 | Very low | 32.8 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | | | trans | -136.8 | 78.7 | -173.8 | -68.2 | -179.7 | -172.4 | 163.2 | 0 | 117.4 | D77 | D77-K79 PolarHBondContact O-N 3.12Š|
| 80 | V | 32.5 | Very low | 32.9 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -95 | 97.6 | 170.3 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | L82 | V80-L82 HydrophobicContact CG1-CD1 4.13Å; V80-L82 HydrophobicContact CG1-CG 4.15Å |
| 81 | Q | 32.9 | Very low | 33.3 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | -102.7 | 86.1 | 165.4 | -70.7 | -161.7 | 53.2 | 0 | 0 | 111.2 | L83 | Q81-L83 PolarHBondContact O-N 2.76Š|
| 82 | L | 30.6 | Very low | 33.5 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | | | trans | -77.1 | 101.1 | 175.1 | -95.1 | 165.1 | 0 | 0 | 0 | 111.3 | V80 | V80-L82 HydrophobicContact CG1-CD1 4.13Å; V80-L82 HydrophobicContact CG1-CG 4.15Å |
| 83 | L | 28.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 52% | 0.524 | 75% | 0.753 | S | S | . | * | | | trans | -104.7 | 70.5 | -178.3 | -135.3 | 172.6 | 0 | 0 | 0 | 110.7 | Q81 L85 | Q81-L83 PolarHBondContact O-N 2.76Å; L83-L85 HydrophobicContact CD2-CD1 4.31Å; L83-L85 HydrophobicContact CD2-CG 4.17Å; L83-L85 PolarHBondContact O-N 2.99Å; L83-L85 VanDerWaalsContact O-N 3.15Å |
| 84 | A | 29.4 | Very low | 34.9 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 55% | 0.554 | 76% | 0.758 | S | S | * | * | | | trans | -67.8 | 110.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 85 | L | 28.4 | Very low | 35.1 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | -113.6 | 107.5 | 166.7 | -78.9 | 170.5 | 0 | 0 | 0 | 108.4 | L83 | L83-L85 HydrophobicContact CD2-CD1 4.31Å; L83-L85 HydrophobicContact CD2-CG 4.17Å; L83-L85 PolarHBondContact O-N 2.99Å; L83-L85 VanDerWaalsContact O-N 3.15Å |
| 86 | M | 30.4 | Very low | 35.4 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 58% | 0.581 | 75% | 0.746 | S | S | * | * | | | trans | -100 | 98 | 172.6 | -67.4 | -178.1 | 70 | 0 | 0 | 109.2 | | |
| 87 | S | 27.6 | Very low | 35.5 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | -109 | 122.4 | 165.7 | -69.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 88 | H | 31.3 | Very low | 35.7 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -91 | 114.9 | 169.6 | -67.5 | -78.6 | 0 | 0 | 0 | 108.8 | | |
| 89 | S | 34.1 | Very low | 36 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | -111.6 | 109.6 | 174.3 | -62.5 | 0 | 0 | 0 | 0 | 108.9 | S91 | S89-S91 PolarHBondContact O-N 2.75Å; S89-S91 VanDerWaalsContact O-N 3.12Å |
| 90 | D | 30 | Very low | 36.4 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | trans | -76.6 | 95.5 | 177.2 | -67.3 | -47.8 | 0 | 0 | 0 | 110.4 | | |
| 91 | S | 37.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | -102 | 82.9 | 177.2 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | S89 | S89-S91 PolarHBondContact O-N 2.75Å; S89-S91 VanDerWaalsContact O-N 3.12Å |
| 92 | S | 37.3 | Very low | 37.6 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | | | trans | -84.3 | 108.8 | 166.6 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 93 | S | 43.7 | Very low | 38.2 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -121.8 | 126 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 94 | S | 46.6 | Very low | 38.7 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | -71.7 | 158.7 | 177.4 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 95 | S | 40.8 | Very low | 39.7 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | -75.2 | 159.3 | 172.8 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 96 | D | 42.6 | Very low | 40.4 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | | 173.7 | 163.8 | 112.3 | -84.8 | -2.1 | 0 | 0 | 0 | 112.3 | | |
| 97 | S | 50.6 | Low | 41.2 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | 65.6 | 132.3 | -173.2 | 72.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 98 | S | 43.5 | Very low | 42 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | cis | 88.3 | 91.8 | 13.3 | -162.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 99 | C | 44.7 | Very low | 42.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | | -175 | 172.7 | 109.5 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 100 | D | 42.1 | Very low | 42.9 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | -74.9 | 151.6 | -167.3 | -48.7 | -104.3 | 0 | 0 | 0 | 116.3 | | |
| 101 | S | 45.7 | Very low | 43.6 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | | -176 | 154.9 | 111.8 | -79.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 102 | M | 43.5 | Very low | 43.7 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | | | trans | -90.9 | 154.7 | 178.6 | -55.9 | -174.7 | 75 | 0 | 0 | 112.1 | | |
| 103 | H | 44.4 | Very low | 43.8 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | | | | -165.3 | 133.3 | 127 | -103.5 | -70.2 | 0 | 0 | 0 | 110.7 | | |
| 104 | S | 39.4 | Very low | 43.9 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -100.6 | 150.4 | 167.4 | -55.9 | 0 | 0 | 0 | 0 | 110 | | |
| 105 | L | 50.5 | Low | 44 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | -167.8 | 149.3 | 142.1 | -107 | 169.4 | 0 | 0 | 0 | 110.1 | | |
| 106 | D | 41.6 | Very low | 44.5 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -94 | 154.3 | -171.3 | -61.3 | -83.9 | 0 | 0 | 0 | 114.2 | | |
| 107 | G | 46.9 | Very low | 44.6 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | 148.9 | 150.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 108 | N | 45.7 | Very low | 44.1 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | cis | 173.1 | 139.6 | -14 | 150.7 | -96 | 0 | 0 | 0 | 103.6 | | |
| 109 | E | 45 | Very low | 43.7 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | | | trans | 47.9 | 112.4 | 163.1 | -72.1 | 174.6 | 104.8 | 0 | 0 | 122.8 | | |
| 110 | S | 39.6 | Very low | 43.7 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 59.3 | 110.7 | 132.5 | 67.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 111 | A | 44.4 | Very low | 43.6 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | | | trans | -144.3 | 145.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 112 | T | 39.5 | Very low | 43.4 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | | | trans | -70 | 135.9 | 177.4 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 113 | G | 39.4 | Very low | 43.2 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | | | trans | -141.4 | 147 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 114 | S | 46 | Very low | 43.2 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | | | trans | -63.9 | 163.9 | -168.7 | 38.8 | 0 | 0 | 0 | 0 | 117.7 | E116 | S114-E116 WeakPolarHBondContact CB-OE2 3.18Å; S114-E116 PolarHBondContact O-N 3.47Å; S114-E116 PolarHBondContact OG-OE2 2.83Å |
| 115 | E | 48.7 | Very low | 43.2 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 21.8 | -176.6 | -61.1 | 178.5 | 91.2 | 0 | 0 | 115.5 | | |
| 116 | E | 49.9 | Very low | 42.9 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -19.3 | -162.3 | -67.2 | 170.6 | 120.2 | 0 | 0 | 114.2 | S114 C118 | S114-E116 WeakPolarHBondContact CB-OE2 3.18Å; S114-E116 PolarHBondContact O-N 3.47Å; S114-E116 PolarHBondContact OG-OE2 2.83Å; E116-C118 PolarHBondContact O-N 3.21Å |
| 117 | D | 45.3 | Very low | 42.6 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -82 | -4.3 | -175 | -76.5 | -36.7 | 0 | 0 | 0 | 115.6 | Y119 | D117-Y119 PolarHBondContact O-N 3.32Å; D117-Y119 VanDerWaalsContact O-N 3.12Å |
| 118 | C | 39.8 | Very low | 42.8 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 64% | 0.635 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -73.2 | 0.1 | -174.5 | -78.6 | 0 | 0 | 0 | 0 | 115.9 | E116 | E116-C118 PolarHBondContact O-N 3.21Š|
| 119 | Y | 36.6 | Very low | 42.2 | Very low | 194 Ų | 194 | 132 Ų | 132 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -99.5 | -16 | -175 | -74.8 | -84.2 | 0 | 0 | 0 | 115.3 | D117 | D117-Y119 PolarHBondContact O-N 3.32Å; D117-Y119 VanDerWaalsContact O-N 3.12Å |
| 120 | E | 44.4 | Very low | 42 | Very low | 133 Ų | 133 | 134 Ų | 134 | 62% | 0.621 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -90.9 | -14.3 | -173.8 | -104.4 | -78.5 | 125.1 | 0 | 0 | 114.9 | K124 | E120-K124 PolarHBondContact O-NZ 3.31Å; E120-K124 IonicContact OE2-NZ 2.57Å; E120-K124 PolarHBondContact OE2-NZ 2.77Å |
| 121 | T | 40.4 | Very low | 42.1 | Very low | 92 Ų | 92 | 135 Ų | 135 | 56% | 0.564 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -88.8 | -30.5 | -173.8 | 34.3 | 0 | 0 | 0 | 0 | 114 | F123 K124 | T121-F123 PolarHBondContact O-N 2.57Å; T121-F123 VanDerWaalsContact O-N 3.15Å; T121-K124 PolarHBondContact O-N 3.44Å |
| 122 | I | 41.1 | Very low | 41.7 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -21.6 | -172.7 | -62.5 | 175.8 | 0 | 0 | 0 | 113.2 | | |
| 123 | F | 39.4 | Very low | 41.8 | Very low | 160 Ų | 160 | 140 Ų | 140 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -11.8 | -178.1 | -77.1 | -81.8 | 0 | 0 | 0 | 115.3 | T121 | T121-F123 PolarHBondContact O-N 2.57Å; T121-F123 VanDerWaalsContact O-N 3.15Å |
| 124 | K | 44.2 | Very low | 41.7 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 54% | 0.539 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -30.3 | -176.6 | -77 | 161.4 | -173.9 | 146.4 | 0 | 113.4 | E120 T121 V126 F127 | E120-K124 PolarHBondContact O-NZ 3.31Å; E120-K124 IonicContact OE2-NZ 2.57Å; E120-K124 PolarHBondContact OE2-NZ 2.77Å; T121-K124 PolarHBondContact O-N 3.44Å; K124-V126 PolarHBondContact O-N 3.07Å; K124-F127 PolarHBondContact O-N 2.85Å |
| 125 | D | 39 | Very low | 41.6 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -5.1 | 178.9 | -71.1 | -21.2 | 0 | 0 | 0 | 114.4 | | |
| 126 | V | 43.8 | Very low | 41.1 | Very low | 90 Ų | 90 | 144 Ų | 144 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -26.4 | 174.7 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | K124 | K124-V126 PolarHBondContact O-N 3.07Š|
| 127 | F | 36.5 | Very low | 40.9 | Very low | 167 Ų | 167 | 146 Ų | 146 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | | | trans | -146.2 | 76.5 | -172.9 | -62.2 | -70.3 | 0 | 0 | 0 | 114.2 | K124 N129 | K124-F127 PolarHBondContact O-N 2.85Å; F127-N129 PolarHBondContact O-N 2.76Å; F127-N129 VanDerWaalsContact O-N 3.14Å |
| 128 | P | 49.5 | Very low | 40.5 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | | | trans | -74.6 | 101.9 | 174.8 | 29.5 | -34.3 | 0 | 0 | 0 | 112.4 | K130 | P128-K130 PolarHBondContact O-N 3.09Š|
| 129 | N | 34.6 | Very low | 40.7 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | trans | -67 | 116.2 | 169.7 | -87.5 | -28.3 | 0 | 0 | 0 | 111.4 | F127 | F127-N129 PolarHBondContact O-N 2.76Å; F127-N129 VanDerWaalsContact O-N 3.14Å |
| 130 | K | 40.4 | Very low | 40.6 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | | | trans | -137.1 | 155.4 | 162.8 | -71.6 | -164.1 | 175.8 | -177.3 | 0 | 112.1 | P128 | P128-K130 PolarHBondContact O-N 3.09Š|
| 131 | T | 42 | Very low | 40.5 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 155.3 | -160.2 | 36.4 | 0 | 0 | 0 | 0 | 115 | | |
| 132 | F | 35.2 | Very low | 40.2 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 143.7 | 171.3 | -86.2 | -105.7 | 0 | 0 | 0 | 111.2 | | |
| 133 | H | 41.9 | Very low | 40.1 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 138.6 | 154.8 | -87.5 | -88.1 | 0 | 0 | 0 | 109.5 | | |
| 134 | H | 36.6 | Very low | 40.1 | Very low | 177 Ų | 177 | 151 Ų | 151 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.2 | 165 | -90.4 | -29.9 | 0 | 0 | 0 | 111.1 | | |
| 135 | C | 44.6 | Very low | 39.9 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -141.4 | 116.4 | 150.5 | 47.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 136 | D | 38 | Very low | 39.7 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -75.5 | 143.5 | 178 | -56.7 | -76.4 | 0 | 0 | 0 | 110.7 | | |
| 137 | H | 45.7 | Very low | 39.2 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | | | trans | -160.1 | 116.9 | 153.2 | -123.6 | -61.9 | 0 | 0 | 0 | 112 | | |
| 138 | D | 37.3 | Very low | 39.3 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | | | trans | -70.4 | 138.8 | 174 | -62.7 | -79.6 | 0 | 0 | 0 | 112.6 | | |
| 139 | C | 43.2 | Very low | 38.6 | Very low | 128 Ų | 128 | 163.4 Ų | 163.4 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | | | trans | -149.2 | 82.4 | 158.4 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 140 | N | 35.9 | Very low | 38.8 | Very low | 139 Ų | 139 | 162.6 Ų | 162.6 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | | | trans | -78.6 | 131.8 | 170 | 170.9 | 17.9 | 0 | 0 | 0 | 111.1 | | |
| 141 | T | 40.8 | Very low | 38.8 | Very low | 136 Ų | 136 | 161.2 Ų | 161.2 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | | | trans | -172.1 | 150.9 | 134.9 | 14.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 142 | N | 34.5 | Very low | 38.6 | Very low | 151 Ų | 151 | 164.6 Ų | 164.6 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | | | trans | -82.6 | 147.5 | 177.2 | -69 | -46.6 | 0 | 0 | 0 | 113 | | |
| 143 | T | 39.7 | Very low | 38.7 | Very low | 143 Ų | 143 | 161.3 Ų | 161.3 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | | | trans | -144 | 120.2 | 144.8 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 144 | E | 39 | Very low | 38.5 | Very low | 193 Ų | 193 | 160.7 Ų | 160.7 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | | | trans | -77.2 | 148.4 | 167 | -60.6 | 173.5 | 84.3 | 0 | 0 | 111.1 | | |
| 145 | S | 39.4 | Very low | 38.4 | Very low | 109 Ų | 109 | 157.8 Ų | 157.8 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | | | | -173.2 | 116.2 | 128.8 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 146 | L | 35.3 | Very low | 38.2 | Very low | 162 Ų | 162 | 157.6 Ų | 157.6 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | | | trans | 30.8 | 116.5 | 134.9 | -59.4 | 169.5 | 0 | 0 | 0 | 119.7 | | |
| 147 | Y | 32.5 | Very low | 38.3 | Very low | 230 Ų | 230 | 157.1 Ų | 157.1 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | | -151.2 | 138.8 | 115.3 | -122.7 | -80.5 | 0 | 0 | 0 | 111.8 | | |
| 148 | K | 38.8 | Very low | 38.4 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | | | trans | -142.5 | 103.5 | -173.1 | 179 | -176.7 | 178 | 180 | 0 | 111.1 | | |
| 149 | R | 36 | Very low | 38.5 | Very low | 209 Ų | 209 | 156.6 Ų | 156.6 | 79% | 0.789 | 82% | 0.823 | S | S | * | * | | | trans | -144.9 | 110.6 | 162.4 | -92 | -164.7 | 152.8 | 134.4 | 0.5 | 109 | | |
| 150 | Q | 38.7 | Very low | 38.5 | Very low | 147 Ų | 147 | 158.6 Ų | 158.6 | 69% | 0.687 | 82% | 0.824 | S | S | * | * | | | | 78.8 | 99.5 | 99.1 | -75.7 | -175.5 | -79.8 | 0 | 0 | 113.2 | | |
| 151 | N | 40.7 | Very low | 38.9 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | | -173.5 | 104 | 125.8 | -90.8 | -13.4 | 0 | 0 | 0 | 109.5 | | |
| 152 | K | 36.8 | Very low | 39.2 | Very low | 208 Ų | 208 | 155.8 Ų | 155.8 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -156.2 | 100.9 | 170.1 | -173.2 | 178.6 | -178.8 | -179.4 | 0 | 110.2 | | |
| 153 | C | 36.9 | Very low | 40.2 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | | | trans | -150.5 | 147.1 | 171.7 | -78.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 154 | E | 38.3 | Very low | 40.3 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | cis | -160.6 | 156.7 | -22.2 | -134.9 | 160.2 | 142.7 | 0 | 0 | 107.7 | | |
| 155 | S | 33.9 | Very low | 40.9 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -136.6 | 97.6 | -177.3 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 156 | V | 41.2 | Very low | 41.1 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -136.9 | 107.1 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 157 | V | 40.8 | Very low | 41.8 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | | | trans | 42.9 | 120.6 | 139.5 | -174.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 158 | S | 47.7 | Very low | 42.4 | Very low | 130 Ų | 130 | 153 Ų | 153 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | | -148.1 | 125.1 | 126.8 | -78.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 159 | K | 39.3 | Very low | 42.9 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -120.4 | 139.6 | 170 | -91.1 | -170.3 | 172.4 | -167.8 | 0 | 107.9 | | |
| 160 | L | 43.3 | Very low | 43.2 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | trans | -165.3 | 129.2 | 149.7 | -87 | 165.8 | 0 | 0 | 0 | 103.2 | | |
| 161 | A | 42.7 | Very low | 43.5 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 58% | 0.579 | 80% | 0.799 | S | S | * | * | | | cis | 85.5 | 121.3 | 37.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 162 | D | 47.6 | Very low | 43.7 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | cis | -126.1 | -110.4 | -27.3 | -89 | -60.2 | 0 | 0 | 0 | 111.4 | | |
| 163 | E | 55.1 | Low | 44.5 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | cis | -149 | 159.2 | 0.4 | -75.3 | -77.6 | 29.9 | 0 | 0 | 109.1 | | |
| 164 | P | 43.2 | Very low | 45 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | | | trans | -120.6 | 150.7 | -168.4 | 40.5 | -29.6 | 0 | 0 | 0 | 117.6 | | |
| 165 | E | 50.9 | Low | 45.6 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -170.3 | 129 | 151.2 | -107.3 | 172.2 | -174.8 | 0 | 0 | 106.9 | | |
| 166 | K | 44.3 | Very low | 46 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | cis | 82.2 | 96.6 | 43.9 | -157 | -150.7 | 177.3 | -153.1 | 0 | 114.7 | E168 | K166-E168 WeakPolarHBondContact CE-OE2 3.27Å; K166-E168 IonicContact NZ-OE2 2.82Å; K166-E168 PolarHBondContact NZ-OE2 2.74Å |
| 167 | H | 48.4 | Very low | 46.5 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -149.4 | 156.2 | 133.5 | -135.9 | -85.3 | 0 | 0 | 0 | 113.1 | | |
| 168 | E | 46.3 | Very low | 46.8 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | | | trans | -105.1 | 146.9 | -176.6 | -61.3 | 151.9 | 102.5 | 0 | 0 | 110.3 | K166 | K166-E168 WeakPolarHBondContact CE-OE2 3.27Å; K166-E168 IonicContact NZ-OE2 2.82Å; K166-E168 PolarHBondContact NZ-OE2 2.74Å |
| 169 | E | 49.5 | Very low | 47.1 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | | | | -161.1 | 166.8 | 123.7 | -130.3 | 178.2 | 153.8 | 0 | 0 | 111 | | |
| 170 | A | 42 | Very low | 47.8 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -127.4 | 155.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 171 | C | 44.6 | Very low | 48.1 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | | | trans | -160.5 | 107.2 | 155.4 | -112.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 172 | E | 45.9 | Very low | 48.4 | Very low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | -76.5 | 178.7 | 161 | -81.5 | -82.1 | 139.3 | 0 | 0 | 110.5 | | |
| 173 | P | 52.8 | Low | 48.8 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 58% | 0.578 | 78% | 0.783 | S | S | * | * | | | cis | -133.3 | -171.2 | -9.1 | 25.9 | -1.6 | 0 | 0 | 0 | 114.3 | | |
| 174 | N | 46.6 | Very low | 48.7 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | 70.4 | 112.3 | 149.2 | -67.4 | -30.7 | 0 | 0 | 0 | 120.9 | | |
| 175 | S | 51.4 | Low | 49.1 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | | -158.8 | 121.8 | 103 | 9.2 | 0 | 0 | 0 | 0 | 111.6 | T177 | S175-T177 PolarHBondContact O-N 2.78Š|
| 176 | D | 42 | Very low | 49.5 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -69.5 | 122.6 | 170.7 | -115.8 | -48.5 | 0 | 0 | 0 | 110 | | |
| 177 | T | 52.5 | Low | 50.3 | Low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | | | trans | -150.8 | 98.9 | 162.9 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | S175 E179 | S175-T177 PolarHBondContact O-N 2.78Å; T177-E179 VanDerWaalsContact C-N 3.27Å; T177-E179 PolarHBondContact O-N 2.85Å |
| 178 | T | 45.9 | Very low | 51.4 | Low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | -79 | 65.5 | -175.6 | 34.9 | 0 | 0 | 0 | 0 | 112.7 | K180 | T178-K180 PolarHBondContact O-N 3.35Å; T178-K180 VanDerWaalsContact O-N 3.09Å |
| 179 | E | 55.4 | Low | 52.5 | Low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | -66.3 | 108.4 | 169.1 | -94.4 | -156.3 | 149.8 | 0 | 0 | 111.2 | T177 Q181 | T177-E179 VanDerWaalsContact C-N 3.27Å; T177-E179 PolarHBondContact O-N 2.85Å; E179-Q181 PolarHBondContact O-N 2.82Å |
| 180 | K | 53.5 | Low | 53.7 | Low | 208 Ų | 208 | 122.7 Ų | 122.7 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | | | trans | -68.9 | 80.7 | 165.5 | -75.1 | -179.2 | 175.7 | 174.7 | 0 | 109.9 | T178 A182 | T178-K180 PolarHBondContact O-N 3.35Å; T178-K180 VanDerWaalsContact O-N 3.09Å; K180-A182 PolarHBondContact O-N 3.4Å |
| 181 | Q | 49.6 | Very low | 55.3 | Low | 166 Ų | 166 | 122.8 Ų | 122.8 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | | | trans | -61.8 | 102.8 | 170.2 | -68.9 | -166.9 | -0.6 | 0 | 0 | 109.7 | E179 K183 | E179-Q181 PolarHBondContact O-N 2.82Å; Q181-K183 PolarHBondContact O-N 3.3Å |
| 182 | A | 49.4 | Very low | 56.9 | Low | 97 Ų | 97 | 119.5 Ų | 119.5 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | | | trans | -66.2 | 99.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | K180 A184 | K180-A182 PolarHBondContact O-N 3.4Å; A182-A184 PolarHBondContact O-N 3.15Å |
| 183 | K | 54.8 | Low | 58.5 | Low | 201 Ų | 201 | 115 Ų | 115 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | | | trans | -49 | 107.1 | 175.8 | -179.7 | 179.7 | 179.8 | -179.4 | 0 | 109.2 | Q181 | Q181-K183 PolarHBondContact O-N 3.3Š|
| 184 | A | 54 | Low | 59.8 | Low | 78 Ų | 78 | 113.3 Ų | 113.3 | 65% | 0.645 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 134.5 | 179 | 0 | 0 | 0 | 0 | 0 | 109.1 | A182 A186 | A182-A184 PolarHBondContact O-N 3.15Å; A184-A186 PolarHBondContact O-N 3.34Å; A184-A186 VanDerWaalsContact O-N 3.17Å |
| 185 | P | 51.2 | Low | 61.5 | Low | 122 Ų | 122 | 108.5 Ų | 108.5 | 79% | 0.792 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 126.8 | 177.6 | 24.8 | -33 | 0 | 0 | 0 | 108.1 | A187 | P185-A187 PolarHBondContact O-N 3.12Š|
| 186 | A | 59.4 | Low | 62.9 | Low | 86 Ų | 86 | 109.8 Ų | 109.8 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 132.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A184 G188 | A184-A186 PolarHBondContact O-N 3.34Å; A184-A186 VanDerWaalsContact O-N 3.17Å; A186-G188 VanDerWaalsContact C-N 3.26Å; A186-G188 PolarHBondContact O-N 3.09Å |
| 187 | A | 61.8 | Low | 65 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 83% | 0.826 | 58% | 0.583 | S | S | * | * | | | trans | -67.8 | 82.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P185 Q189 | P185-A187 PolarHBondContact O-N 3.12Å; A187-Q189 PolarHBondContact O-N 2.9Å |
| 188 | G | 70.8 | Confident | 66.2 | Low | 28 Ų | 28 | 108.7 Ų | 108.7 | 29% | 0.289 | 59% | 0.589 | S | S | . | * | | | trans | -57.2 | 131.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A186 E190 | A186-G188 VanDerWaalsContact C-N 3.26Å; A186-G188 PolarHBondContact O-N 3.09Å; G188-E190 PolarHBondContact O-N 3.01Å |
| 189 | Q | 69 | Low | 68.2 | Low | 102 Ų | 102 | 106.7 Ų | 106.7 | 48% | 0.477 | 57% | 0.573 | S | S | . | * | | | trans | -65.9 | 121.3 | -169 | -60.6 | -173.4 | -4.4 | 0 | 0 | 109.8 | E8 A187 | E8-Q189 PolarHBondContact N-O 2.75Å; E8-Q189 PolarHBondContact OE2-N 3.08Å; A187-Q189 PolarHBondContact O-N 2.9Å |
| 190 | E | 75.8 | Confident | 69.8 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 105 | 175.6 | -168.5 | 169.4 | 151.9 | 0 | 0 | 110.2 | S5 I6 K7 G188 V192 | S5-E190 VanDerWaalsContact OG-CG 3.26Å; S5-E190 WeakPolarHBondContact OG-CG 3.36Å; S5-E190 PolarHBondContact OG-OE1 3.38Å; I6-E190 CarbonylContact O-C 3.58Å; I6-E190 VanDerWaalsContact O-CA 3.25Å; I6-E190 WeakPolarHBondContact O-CA 3.1Å; K7-E190 HydrophobicContact CG-CG 4.49Å; K7-E190 IonicContact NZ-OE2 2.6Å; K7-E190 PolarHBondContact NZ-OE2 3.05Å; G188-E190 PolarHBondContact O-N 3.01Å; E190-V192 HydrophobicContact CG-CG2 4.4Å |
| 191 | W | 75.4 | Confident | 71.4 | Confident | 93 Ų | 93 | 100 Ų | 100 | 35% | 0.352 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 110.2 | -178.1 | -61 | 89 | 0 | 0 | 0 | 109.8 | S5 I6 F193 | S5-W191 WeakPolarHBondContact CA-O 3.41Å; I6-W191 HydrophobicContact CB-CB 4.21Å; I6-W191 PolarHBondContact N-O 3.41Å; I6-W191 PolarHBondContact O-N 3.23Å; W191-F193 HydrophobicContact CB-CD2 4.43Å; W191-F193 HydrophobicContact CB-CE2 3.61Å; W191-F193 HydrophobicContact CB-CZ 4.19Å |
| 192 | V | 77.9 | Confident | 73.2 | Confident | 68 Ų | 68 | 94.2 Ų | 94.2 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.9 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | R3 I4 E190 | R3-V192 HydrophobicContact CG-CG1 4.07Å; I4-V192 CarbonylContact O-C 3.49Å; I4-V192 WeakPolarHBondContact O-CA 3.48Å; I4-V192 WeakPolarHBondContact O-CG1 3.38Å; E190-V192 HydrophobicContact CG-CG2 4.4Å |
| 193 | F | 79 | Confident | 74.9 | Confident | 78 Ų | 78 | 96.7 Ų | 96.7 | 34% | 0.342 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.9 | 175.7 | -58.8 | -95.7 | 0 | 0 | 0 | 110 | I4 I6 W191 | I4-F193 HydrophobicContact CB-CB 4.18Å; I4-F193 HydrophobicContact CG2-CD2 4.44Å; I4-F193 PolarHBondContact N-O 3Å; I4-F193 PolarHBondContact O-N 2.98Å; I6-F193 HydrophobicContact CD1-CD2 4.21Å; I6-F193 HydrophobicContact CD1-CE2 3.58Å; I6-F193 HydrophobicContact CD1-CZ 4.49Å; I6-F193 HydrophobicContact CG1-CD2 4.35Å; I6-F193 HydrophobicContact CG1-CE2 4.07Å; W191-F193 HydrophobicContact CB-CD2 4.43Å; W191-F193 HydrophobicContact CB-CE2 3.61Å; W191-F193 HydrophobicContact CB-CZ 4.19Å |
| 194 | T | 81.3 | Confident | 76.3 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.4 | 172.9 | -59 | 0 | 0 | 0 | 0 | 108.5 | M1 C2 Y196 | M1-T194 HydrophobicContact CE-CG2 3.51Å; C2-T194 CarbonylContact O-C 3.53Å; C2-T194 WeakPolarHBondContact O-CA 3.45Å; T194-Y196 HydrophobicContact CG2-CD2 4.22Å; T194-Y196 HydrophobicContact CG2-CE1 4.19Å; T194-Y196 HydrophobicContact CG2-CE2 3.63Å |
| 195 | L | 80.5 | Confident | 78 | Confident | 40 Ų | 40 | 87 Ų | 87 | 21% | 0.209 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.6 | 170.2 | -74.9 | -178.7 | 0 | 0 | 0 | 109.5 | C2 I4 V204 L212 | C2-L195 HydrophobicContact CB-CB 3.84Å; C2-L195 PolarHBondContact N-O 3.3Å; C2-L195 PolarHBondContact O-N 2.83Å; I4-L195 HydrophobicContact CD1-CD1 4.12Å; I4-L195 HydrophobicContact CD1-CG 4.25Å; L195-V204 HydrophobicContact CD1-CG1 4.15Å; L195-L212 HydrophobicContact CD1-CD2 3.77Å; L195-L212 HydrophobicContact CD2-CD2 4.1Å; L195-L212 HydrophobicContact CG-CD2 3.98Å |
| 196 | Y | 81.8 | Confident | 79.7 | Confident | 143 Ų | 143 | 88.2 Ų | 88.2 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | | | trans | -104.1 | 144.7 | 175.6 | -65.6 | -88.6 | 0 | 0 | 0 | 109.8 | M1 T194 F198 | M1-Y196 HydrophobicContact CE-CE1 4.25Å; T194-Y196 HydrophobicContact CG2-CD2 4.22Å; T194-Y196 HydrophobicContact CG2-CE1 4.19Å; T194-Y196 HydrophobicContact CG2-CE2 3.63Å; Y196-F198 VanDerWaalsContact O-CD2 3.23Å; Y196-F198 WeakPolarHBondContact O-CD2 3.29Å; Y196-F198 PolarHBondContact O-N 3.37Å |
| 197 | D | 85.9 | Confident | 81.3 | Confident | 53 Ų | 53 | 89.7 Ų | 89.7 | 28% | 0.283 | 48% | 0.475 | S | S | . | . | | | trans | -78.9 | 95 | 177.3 | -172.2 | 83 | 0 | 0 | 0 | 108.9 | G200 K201 G202 K203 | D197-G200 WeakPolarHBondContact OD2-CA 3.41Å; D197-G200 PolarHBondContact OD2-N 3.29Å; D197-G200 VanDerWaalsContact OD2-N 3.1Å; D197-K201 PolarHBondContact OD2-N 3.27Å; D197-G202 VanDerWaalsContact CG-N 3.25Å; D197-G202 WeakPolarHBondContact OD1-CA 3.29Å; D197-G202 PolarHBondContact OD1-N 2.9Å; D197-G202 PolarHBondContact OD2-N 3.18Å; D197-K203 PolarHBondContact OD1-N 3.41Å |
| 198 | F | 77.2 | Confident | 82.5 | Confident | 192 Ų | 192 | 88.8 Ų | 88.8 | 84% | 0.842 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -81.2 | -16.7 | -171.1 | -77.2 | -74.6 | 0 | 0 | 0 | 114.4 | Y196 | Y196-F198 VanDerWaalsContact O-CD2 3.23Å; Y196-F198 WeakPolarHBondContact O-CD2 3.29Å; Y196-F198 PolarHBondContact O-N 3.37Å |
| 199 | D | 88 | Confident | 83.4 | Confident | 88 Ų | 88 | 89.6 Ų | 89.6 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -100.8 | -3.9 | 178.9 | 71.6 | 1.4 | 0 | 0 | 0 | 114 | K201 | D199-K201 WeakPolarHBondContact OD1-CB 3.36Å; D199-K201 WeakPolarHBondContact OD1-CG 3.23Å; D199-K201 PolarHBondContact OD1-N 2.94Å; D199-K201 VanDerWaalsContact OD2-CD 3.24Å; D199-K201 WeakPolarHBondContact OD2-CD 3.27Å; D199-K201 WeakPolarHBondContact OD2-CE 3.3Å; D199-K201 IonicContact OD2-NZ 2.64Å; D199-K201 PolarHBondContact OD2-NZ 3.15Å |
| 200 | G | 90 | Very high | 84.4 | Confident | 67 Ų | 67 | 88 Ų | 88 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 76.7 | 16 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D197 | D197-G200 WeakPolarHBondContact OD2-CA 3.41Å; D197-G200 PolarHBondContact OD2-N 3.29Å; D197-G200 VanDerWaalsContact OD2-N 3.1Å |
| 201 | K | 87.3 | Confident | 85.2 | Confident | 152 Ų | 152 | 86.9 Ų | 86.9 | 66% | 0.661 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -85.1 | -11.8 | 179 | -64.2 | 178.7 | -165.4 | 141.9 | 0 | 114.1 | D197 D199 K203 | D197-K201 PolarHBondContact OD2-N 3.27Å; D199-K201 WeakPolarHBondContact OD1-CB 3.36Å; D199-K201 WeakPolarHBondContact OD1-CG 3.23Å; D199-K201 PolarHBondContact OD1-N 2.94Å; D199-K201 VanDerWaalsContact OD2-CD 3.24Å; D199-K201 WeakPolarHBondContact OD2-CD 3.27Å; D199-K201 WeakPolarHBondContact OD2-CE 3.3Å; D199-K201 IonicContact OD2-NZ 2.64Å; D199-K201 PolarHBondContact OD2-NZ 3.15Å; K201-K203 VanDerWaalsContact C-N 3.25Å; K201-K203 HydrophobicContact CB-CB 4.42Å; K201-K203 PolarHBondContact O-N 2.94Å |
| 202 | G | 85.8 | Confident | 85.9 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 66.3 | 26.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.1 | D197 | D197-G202 VanDerWaalsContact CG-N 3.25Å; D197-G202 WeakPolarHBondContact OD1-CA 3.29Å; D197-G202 PolarHBondContact OD1-N 2.9Å; D197-G202 PolarHBondContact OD2-N 3.18Å |
| 203 | K | 85.3 | Confident | 86.5 | Confident | 148 Ų | 148 | 82.1 Ų | 82.1 | 64% | 0.643 | 43% | 0.43 | S | S | * | . | | | trans | -144.8 | 94.4 | -172.6 | -71.3 | -160.2 | 174.4 | -155 | 0 | 111.2 | D197 K201 S205 | D197-K203 PolarHBondContact OD1-N 3.41Å; K201-K203 VanDerWaalsContact C-N 3.25Å; K201-K203 HydrophobicContact CB-CB 4.42Å; K201-K203 PolarHBondContact O-N 2.94Å; K203-S205 PolarHBondContact O-N 3.01Å |
| 204 | V | 85.2 | Confident | 87 | Confident | 36 Ų | 36 | 85.2 Ų | 85.2 | 22% | 0.218 | 44% | 0.439 | C | S | . | . | | | trans | -65 | 122 | 164.3 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | C2 L195 D208 I209 | C2-V204 HydrophobicContact CB-CG2 4.39Å; C2-V204 VanDerWaalsContact SG-CG2 3.6Å; L195-V204 HydrophobicContact CD1-CG1 4.15Å; V204-D208 HydrophobicContact CG1-CB 3.75Å; V204-I209 HydrophobicContact CG1-CD1 4.49Å; V204-I209 HydrophobicContact CG1-CG1 3.92Å |
| 205 | S | 88.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 85.1 Ų | 85.1 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | | | trans | -75.7 | 163.5 | -175.9 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | K203 E207 D208 I209 | K203-S205 PolarHBondContact O-N 3.01Å; S205-E207 PolarHBondContact O-N 2.71Å; S205-E207 PolarHBondContact OG-N 3.41Å; S205-D208 WeakPolarHBondContact CB-OD2 3.45Å; S205-D208 PolarHBondContact N-OD2 3.4Å; S205-D208 PolarHBondContact O-N 3.41Å; S205-D208 PolarHBondContact OG-N 2.87Å; S205-D208 PolarHBondContact OG-OD2 3.43Å; S205-I209 PolarHBondContact O-N 3.34Å; S205-I209 VanDerWaalsContact O-N 3.13Å |
| 206 | K | 88.4 | Confident | 88 | Confident | 148 Ų | 148 | 83.9 Ų | 83.9 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.9 | -35.9 | 170.4 | -176.4 | 179 | -177.7 | 175.9 | 0 | 110.4 | I209 L210 | K206-I209 PolarHBondContact O-N 3.23Å; K206-L210 HydrophobicContact CG-CD1 4.05Å; K206-L210 WeakPolarHBondContact O-CB 3.19Å; K206-L210 VanDerWaalsContact O-CG 3.22Å; K206-L210 WeakPolarHBondContact O-CG 3.33Å; K206-L210 PolarHBondContact O-N 2.78Å |
| 207 | E | 91.3 | Very high | 88.2 | Confident | 117 Ų | 117 | 82.4 Ų | 82.4 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 179.5 | -69.1 | 54.2 | -121.1 | 0 | 0 | 111.2 | S205 L210 S211 | S205-E207 PolarHBondContact O-N 2.71Å; S205-E207 PolarHBondContact OG-N 3.41Å; E207-L210 PolarHBondContact O-N 3.47Å; E207-S211 WeakPolarHBondContact O-CB 3.39Å; E207-S211 PolarHBondContact O-N 3.48Å |
| 208 | D | 88.7 | Confident | 88.4 | Confident | 81 Ų | 81 | 84.5 Ų | 84.5 | 43% | 0.433 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 174 | -63.4 | -53.3 | 0 | 0 | 0 | 111.7 | V204 S205 S211 L212 | V204-D208 HydrophobicContact CG1-CB 3.75Å; S205-D208 WeakPolarHBondContact CB-OD2 3.45Å; S205-D208 PolarHBondContact N-OD2 3.4Å; S205-D208 PolarHBondContact O-N 3.41Å; S205-D208 PolarHBondContact OG-N 2.87Å; S205-D208 PolarHBondContact OG-OD2 3.43Å; D208-S211 WeakPolarHBondContact O-CB 3.22Å; D208-S211 PolarHBondContact O-N 2.9Å; D208-L212 PolarHBondContact O-N 3.25Å |
| 209 | I | 89.6 | Confident | 89 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.1 | -65.4 | 172.7 | 0 | 0 | 0 | 110.2 | V204 S205 K206 S211 L212 V213 L249 | V204-I209 HydrophobicContact CG1-CD1 4.49Å; V204-I209 HydrophobicContact CG1-CG1 3.92Å; S205-I209 PolarHBondContact O-N 3.34Å; S205-I209 VanDerWaalsContact O-N 3.13Å; K206-I209 PolarHBondContact O-N 3.23Å; I209-S211 VanDerWaalsContact C-N 3.32Å; I209-S211 PolarHBondContact O-N 3.42Å; I209-L212 PolarHBondContact O-N 3.01Å; I209-V213 HydrophobicContact CG2-CG2 4.47Å; I209-V213 WeakPolarHBondContact O-CB 3.44Å; I209-V213 VanDerWaalsContact O-CG2 3.3Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 3.45Å; I209-L249 HydrophobicContact CG2-CD1 3.63Å |
| 210 | L | 89.8 | Confident | 88.9 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.8 | -33.5 | 175.8 | -71.2 | 171.6 | 0 | 0 | 0 | 112.2 | K206 E207 R214 | K206-L210 HydrophobicContact CG-CD1 4.05Å; K206-L210 WeakPolarHBondContact O-CB 3.19Å; K206-L210 VanDerWaalsContact O-CG 3.22Å; K206-L210 WeakPolarHBondContact O-CG 3.33Å; K206-L210 PolarHBondContact O-N 2.78Å; E207-L210 PolarHBondContact O-N 3.47Å; L210-R214 WeakPolarHBondContact O-CB 3.32Å; L210-R214 VanDerWaalsContact O-CG 3.23Å; L210-R214 WeakPolarHBondContact O-CG 3.25Å; L210-R214 PolarHBondContact O-N 3.41Å; L210-R214 PolarHBondContact O-NH1 3.17Å |
| 211 | S | 91.4 | Very high | 88.6 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 49% | 0.49 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.9 | -47.6 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | E207 D208 I209 R214 S215 | E207-S211 WeakPolarHBondContact O-CB 3.39Å; E207-S211 PolarHBondContact O-N 3.48Å; D208-S211 WeakPolarHBondContact O-CB 3.22Å; D208-S211 PolarHBondContact O-N 2.9Å; I209-S211 VanDerWaalsContact C-N 3.32Å; I209-S211 PolarHBondContact O-N 3.42Å; S211-R214 PolarHBondContact O-N 3.13Å; S211-S215 PolarHBondContact O-N 3.44Å |
| 212 | L | 91.1 | Very high | 88.1 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 174.3 | 177.4 | 66 | 0 | 0 | 0 | 111.3 | I4 L195 D208 I209 R214 S215 I216 | I4-L212 HydrophobicContact CD1-CD2 3.22Å; L195-L212 HydrophobicContact CD1-CD2 3.77Å; L195-L212 HydrophobicContact CD2-CD2 4.1Å; L195-L212 HydrophobicContact CG-CD2 3.98Å; D208-L212 PolarHBondContact O-N 3.25Å; I209-L212 PolarHBondContact O-N 3.01Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 2.91Å; L212-S215 PolarHBondContact O-N 2.56Å; L212-S215 VanDerWaalsContact O-N 3.08Å; L212-S215 PolarHBondContact O-OG 2.93Å; L212-I216 HydrophobicContact CD1-CD1 4.09Å; L212-I216 HydrophobicContact CD1-CG1 4.31Å; L212-I216 HydrophobicContact CD2-CD1 4.36Å; L212-I216 HydrophobicContact CG-CD1 3.83Å; L212-I216 HydrophobicContact CG-CG1 4.46Å; L212-I216 WeakPolarHBondContact O-CG1 3.3Å; L212-I216 PolarHBondContact O-N 3.33Å |
| 213 | V | 89.9 | Confident | 87.3 | Confident | 32 Ų | 32 | 77.9 Ų | 77.9 | 19% | 0.194 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | -179.6 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | I209 I216 Y217 L249 | I209-V213 HydrophobicContact CG2-CG2 4.47Å; I209-V213 WeakPolarHBondContact O-CB 3.44Å; I209-V213 VanDerWaalsContact O-CG2 3.3Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 3.45Å; V213-I216 PolarHBondContact O-N 2.86Å; V213-Y217 HydrophobicContact CG1-CD2 3.74Å; V213-Y217 HydrophobicContact CG1-CE2 3.66Å; V213-Y217 VanDerWaalsContact O-CD2 3.27Å; V213-Y217 WeakPolarHBondContact O-CD2 3.23Å; V213-Y217 PolarHBondContact O-N 3.18Å; V213-L249 HydrophobicContact CG2-CD1 4.4Å |
| 214 | R | 90.6 | Very high | 86.3 | Confident | 142 Ų | 142 | 80.1 Ų | 80.1 | 54% | 0.536 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 170.8 | -74.3 | 177.9 | -158.2 | 107.7 | -3.3 | 111.7 | L210 S211 L212 I216 Y217 D218 | L210-R214 WeakPolarHBondContact O-CB 3.32Å; L210-R214 VanDerWaalsContact O-CG 3.23Å; L210-R214 WeakPolarHBondContact O-CG 3.25Å; L210-R214 PolarHBondContact O-N 3.41Å; L210-R214 PolarHBondContact O-NH1 3.17Å; S211-R214 PolarHBondContact O-N 3.13Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 2.91Å; R214-I216 PolarHBondContact O-N 2.91Å; R214-Y217 CarbonylContact O-C 3.51Å; R214-Y217 WeakPolarHBondContact O-CA 3.49Å; R214-Y217 PolarHBondContact O-N 3.33Å; R214-D218 VanDerWaalsContact O-CG 3.3Å; R214-D218 PolarHBondContact O-N 3.17Å |
| 215 | S | 92.2 | Very high | 85.3 | Confident | 53 Ų | 53 | 81.1 Ų | 81.1 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.5 | -32.7 | 179.4 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | S211 L212 V219 | S211-S215 PolarHBondContact O-N 3.44Å; L212-S215 PolarHBondContact O-N 2.56Å; L212-S215 VanDerWaalsContact O-N 3.08Å; L212-S215 PolarHBondContact O-OG 2.93Å; S215-V219 WeakPolarHBondContact O-CB 3.24Å; S215-V219 VanDerWaalsContact O-CG2 3.27Å; S215-V219 WeakPolarHBondContact O-CG2 3.46Å; S215-V219 PolarHBondContact O-N 2.98Å |
| 216 | I | 89.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 84.4 Ų | 84.4 | 7% | 0.072 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 172.8 | -67.3 | 162.4 | 0 | 0 | 0 | 110.2 | I6 L212 V213 R214 V219 L220 I247 | I6-I216 HydrophobicContact CD1-CD1 4.07Å; I6-I216 HydrophobicContact CD1-CG2 4.05Å; L212-I216 HydrophobicContact CD1-CD1 4.09Å; L212-I216 HydrophobicContact CD1-CG1 4.31Å; L212-I216 HydrophobicContact CD2-CD1 4.36Å; L212-I216 HydrophobicContact CG-CD1 3.83Å; L212-I216 HydrophobicContact CG-CG1 4.46Å; L212-I216 WeakPolarHBondContact O-CG1 3.3Å; L212-I216 PolarHBondContact O-N 3.33Å; V213-I216 PolarHBondContact O-N 2.86Å; R214-I216 PolarHBondContact O-N 2.91Å; I216-V219 PolarHBondContact O-N 2.88Å; I216-L220 HydrophobicContact CG2-CD1 3.7Å; I216-L220 HydrophobicContact CG2-CG 4.27Å; I216-L220 VanDerWaalsContact O-CB 3.29Å; I216-L220 WeakPolarHBondContact O-CB 3.38Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.26Å; I216-L220 PolarHBondContact O-N 2.88Å; I216-I247 HydrophobicContact CG2-CD1 3.88Å |
| 217 | Y | 87.3 | Confident | 82.4 | Confident | 112 Ų | 112 | 82.4 Ų | 82.4 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 175.3 | -82.2 | -69 | 0 | 0 | 0 | 113.3 | V213 R214 G221 | V213-Y217 HydrophobicContact CG1-CD2 3.74Å; V213-Y217 HydrophobicContact CG1-CE2 3.66Å; V213-Y217 VanDerWaalsContact O-CD2 3.27Å; V213-Y217 WeakPolarHBondContact O-CD2 3.23Å; V213-Y217 PolarHBondContact O-N 3.18Å; R214-Y217 CarbonylContact O-C 3.51Å; R214-Y217 WeakPolarHBondContact O-CA 3.49Å; R214-Y217 PolarHBondContact O-N 3.33Å; Y217-G221 WeakPolarHBondContact O-CA 3.35Å; Y217-G221 PolarHBondContact O-N 3.29Å |
| 218 | D | 90.2 | Very high | 80.7 | Confident | 97 Ų | 97 | 84 Ų | 84 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67 | -43 | 174.7 | -68.5 | -35.9 | 0 | 0 | 0 | 110.4 | R214 N222 | R214-D218 VanDerWaalsContact O-CG 3.3Å; R214-D218 PolarHBondContact O-N 3.17Å; D218-N222 VanDerWaalsContact O-CB 3.27Å; D218-N222 WeakPolarHBondContact O-CB 3.09Å; D218-N222 PolarHBondContact O-N 3.26Å; D218-N222 PolarHBondContact O-ND2 2.64Å |
| 219 | V | 88.6 | Confident | 79 | Confident | 105 Ų | 105 | 87 Ų | 87 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.1 | -45.9 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | S215 I216 A223 | S215-V219 WeakPolarHBondContact O-CB 3.24Å; S215-V219 VanDerWaalsContact O-CG2 3.27Å; S215-V219 WeakPolarHBondContact O-CG2 3.46Å; S215-V219 PolarHBondContact O-N 2.98Å; I216-V219 PolarHBondContact O-N 2.88Å; V219-A223 WeakPolarHBondContact O-CB 3.44Å; V219-A223 PolarHBondContact O-N 2.7Å |
| 220 | L | 86.3 | Confident | 77.3 | Confident | 48 Ų | 48 | 87 Ų | 87 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.8 | -26.2 | -178.9 | -68.9 | 178.2 | 0 | 0 | 0 | 113.9 | I216 F245 | I216-L220 HydrophobicContact CG2-CD1 3.7Å; I216-L220 HydrophobicContact CG2-CG 4.27Å; I216-L220 VanDerWaalsContact O-CB 3.29Å; I216-L220 WeakPolarHBondContact O-CB 3.38Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.26Å; I216-L220 PolarHBondContact O-N 2.88Å; L220-F245 HydrophobicContact CD1-CG 4.32Å |
| 221 | G | 82.7 | Confident | 75.4 | Confident | 64 Ų | 64 | 87.4 Ų | 87.4 | 66% | 0.66 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -84.1 | -32.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y217 | Y217-G221 WeakPolarHBondContact O-CA 3.35Å; Y217-G221 PolarHBondContact O-N 3.29Å |
| 222 | N | 76.8 | Confident | 73.7 | Confident | 141 Ų | 141 | 91.1 Ų | 91.1 | 75% | 0.754 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -81.3 | -27.6 | 169.1 | -70.9 | -64.7 | 0 | 0 | 0 | 112.2 | D218 K224 | D218-N222 VanDerWaalsContact O-CB 3.27Å; D218-N222 WeakPolarHBondContact O-CB 3.09Å; D218-N222 PolarHBondContact O-N 3.26Å; D218-N222 PolarHBondContact O-ND2 2.64Å; N222-K224 PolarHBondContact O-N 2.8Å; N222-K224 VanDerWaalsContact O-N 3.09Å |
| 223 | A | 69.7 | Low | 72.1 | Confident | 45 Ų | 45 | 96.7 Ų | 96.7 | 37% | 0.372 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -62.8 | 112 | 164 | 0 | 0 | 0 | 0 | 0 | 108.3 | V219 L225 | V219-A223 WeakPolarHBondContact O-CB 3.44Å; V219-A223 PolarHBondContact O-N 2.7Å; A223-L225 PolarHBondContact O-N 2.6Å |
| 224 | K | 64 | Low | 70.6 | Confident | 195 Ų | 195 | 102.8 Ų | 102.8 | 85% | 0.848 | 58% | 0.579 | S | S | * | * | | | trans | -68.8 | 81.1 | 165.2 | -171.6 | 176.8 | -177.4 | 177.9 | 0 | 107.9 | N222 | N222-K224 PolarHBondContact O-N 2.8Å; N222-K224 VanDerWaalsContact O-N 3.09Å |
| 225 | L | 64.4 | Low | 69 | Low | 58 Ų | 58 | 100.9 Ų | 100.9 | 30% | 0.304 | 59% | 0.588 | S | S | . | * | | | trans | -43.2 | 132.5 | 172.8 | -71.7 | 168.1 | 0 | 0 | 0 | 108.1 | A223 I227 F245 | A223-L225 PolarHBondContact O-N 2.6Å; L225-I227 VanDerWaalsContact C-N 3.34Å; L225-I227 PolarHBondContact O-N 2.93Å; L225-F245 HydrophobicContact CD1-CE2 3.71Å; L225-F245 HydrophobicContact CD1-CZ 4.45Å; L225-F245 HydrophobicContact CD2-CE2 3.9Å; L225-F245 HydrophobicContact CD2-CZ 3.8Å; L225-F245 HydrophobicContact CG-CE2 4.48Å |
| 226 | P | 58.3 | Low | 67.1 | Low | 109 Ų | 109 | 107.9 Ų | 107.9 | 71% | 0.708 | 61% | 0.614 | S | S | * | * | | | trans | -64.1 | 100.4 | -177.9 | 26.1 | -33 | 0 | 0 | 0 | 108.2 | H228 | P226-H228 VanDerWaalsContact C-N 3.31Å; P226-H228 PolarHBondContact O-N 2.91Å |
| 227 | I | 57.6 | Low | 65.6 | Low | 106 Ų | 106 | 116 Ų | 116 | 54% | 0.544 | 65% | 0.649 | S | S | . | * | | | trans | -58.7 | 105.7 | 165.7 | -56.3 | 176.9 | 0 | 0 | 0 | 104.5 | L225 N229 V242 | L225-I227 VanDerWaalsContact C-N 3.34Å; L225-I227 PolarHBondContact O-N 2.93Å; I227-N229 WeakPolarHBondContact CG2-OD1 3.44Å; I227-N229 PolarHBondContact O-N 2.91Å; I227-V242 HydrophobicContact CG2-CG2 4.46Å |
| 228 | H | 56.2 | Low | 63.9 | Low | 150 Ų | 150 | 115.5 Ų | 115.5 | 69% | 0.694 | 66% | 0.662 | S | S | * | * | | | trans | -68.6 | 79.9 | 177.8 | -177.3 | -77.7 | 0 | 0 | 0 | 108 | P226 G230 V242 | P226-H228 VanDerWaalsContact C-N 3.31Å; P226-H228 PolarHBondContact O-N 2.91Å; H228-G230 PolarHBondContact ND1-N 3.09Å; H228-G230 PolarHBondContact O-N 2.86Å; H228-V242 HydrophobicContact CB-CG1 4.4Å; H228-V242 HydrophobicContact CB-CG2 4.26Å |
| 229 | N | 52.6 | Low | 62.1 | Low | 144 Ų | 144 | 114.6 Ų | 114.6 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | | | trans | -63.2 | 75.7 | 163 | -72.1 | 3.6 | 0 | 0 | 0 | 107.2 | I227 G231 | I227-N229 WeakPolarHBondContact CG2-OD1 3.44Å; I227-N229 PolarHBondContact O-N 2.91Å; N229-G231 PolarHBondContact O-N 3.44Å |
| 230 | G | 54.4 | Low | 60.5 | Low | 45 Ų | 45 | 117 Ų | 117 | 46% | 0.464 | 68% | 0.68 | S | S | . | * | | | trans | -63.5 | 104.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | H228 N232 | H228-G230 PolarHBondContact ND1-N 3.09Å; H228-G230 PolarHBondContact O-N 2.86Å; G230-N232 VanDerWaalsContact C-N 3.33Å; G230-N232 PolarHBondContact O-N 2.92Å |
| 231 | G | 49.4 | Very low | 59.2 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | | | trans | -67.4 | 86.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N229 | N229-G231 PolarHBondContact O-N 3.44Š|
| 232 | N | 57 | Low | 58 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | | | trans | -129.7 | 119.7 | 151.9 | -98.3 | -23.7 | 0 | 0 | 0 | 106.6 | G230 | G230-N232 VanDerWaalsContact C-N 3.33Å; G230-N232 PolarHBondContact O-N 2.92Å |
| 233 | D | 56 | Low | 57.4 | Low | 145 Ų | 145 | 113.9 Ų | 113.9 | 78% | 0.775 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -65.7 | 162.4 | -176.7 | -64.2 | -64.1 | 0 | 0 | 0 | 112.4 | | |
| 234 | N | 58.1 | Low | 57.3 | Low | 161 Ų | 161 | 115.1 Ų | 115.1 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | | | trans | 78.5 | 35.5 | 169.2 | -46.5 | -51.5 | 0 | 0 | 0 | 118.3 | | |
| 235 | S | 58.2 | Low | 57.6 | Low | 102 Ų | 102 | 108.3 Ų | 108.3 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | | | trans | -132.6 | 94.3 | 158.8 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | K237 | S235-K237 VanDerWaalsContact C-N 3.28Å; S235-K237 PolarHBondContact O-N 3.45Å |
| 236 | H | 52.6 | Low | 58 | Low | 199 Ų | 199 | 109.2 Ų | 109.2 | 92% | 0.921 | 65% | 0.645 | S | S | * | * | | | trans | -81 | 66.4 | 171.5 | -72.7 | -80.4 | 0 | 0 | 0 | 111.6 | | |
| 237 | K | 56.4 | Low | 58.8 | Low | 184 Ų | 184 | 105.6 Ų | 105.6 | 80% | 0.8 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -137.1 | 122.8 | 173.9 | -67.3 | -169.3 | 177.3 | -176.3 | 0 | 111.7 | S235 | S235-K237 VanDerWaalsContact C-N 3.28Å; S235-K237 PolarHBondContact O-N 3.45Å |
| 238 | S | 52.7 | Low | 59.8 | Low | 102 Ų | 102 | 107 Ų | 107 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | | | trans | 31.8 | 91.5 | 163.5 | 57.1 | 0 | 0 | 0 | 0 | 116.5 | Q240 | S238-Q240 PolarHBondContact O-N 3.33Š|
| 239 | G | 51.4 | Low | 60.6 | Low | 78 Ų | 78 | 102.5 Ų | 102.5 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | | | trans | -66.2 | 98.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 240 | Q | 56.4 | Low | 61.4 | Low | 157 Ų | 157 | 98.2 Ų | 98.2 | 73% | 0.734 | 58% | 0.583 | S | S | * | * | | | trans | -58.9 | 138.3 | 173 | -84.7 | -172.9 | -41.7 | 0 | 0 | 110.6 | S238 V242 | S238-Q240 PolarHBondContact O-N 3.33Å; Q240-V242 PolarHBondContact O-N 2.64Å |
| 241 | P | 57.9 | Low | 62.1 | Low | 108 Ų | 108 | 100.5 Ų | 100.5 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | | | trans | -63 | 129 | 172.9 | 26.7 | -33.2 | 0 | 0 | 0 | 109.8 | G243 | P241-G243 PolarHBondContact O-N 3.1Š|
| 242 | V | 58.5 | Low | 63 | Low | 49 Ų | 49 | 102.6 Ų | 102.6 | 30% | 0.297 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -79.9 | 112.6 | -172.4 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | I227 H228 Q240 | I227-V242 HydrophobicContact CG2-CG2 4.46Å; H228-V242 HydrophobicContact CB-CG1 4.4Å; H228-V242 HydrophobicContact CB-CG2 4.26Å; Q240-V242 PolarHBondContact O-N 2.64Å |
| 243 | G | 64.3 | Low | 63.5 | Low | 30 Ų | 30 | 100.3 Ų | 100.3 | 31% | 0.309 | 57% | 0.572 | S | S | . | * | | | trans | 88.7 | 108.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P241 F245 | P241-G243 PolarHBondContact O-N 3.1Å; G243-F245 VanDerWaalsContact O-CD2 3.3Å; G243-F245 WeakPolarHBondContact O-CD2 3.35Å; G243-F245 WeakPolarHBondContact O-CE2 3.43Å; G243-F245 PolarHBondContact O-N 3.19Å |
| 244 | A | 66.1 | Low | 63.9 | Low | 71 Ų | 71 | 97.4 Ų | 97.4 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 105 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | K246 | A244-K246 PolarHBondContact O-N 3.2Å |
| 245 | F | 71.2 | Confident | 64.3 | Low | 52 Ų | 52 | 98.1 Ų | 98.1 | 23% | 0.228 | 56% | 0.559 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.5 | 110 | -179.4 | -68.6 | -87.3 | 0 | 0 | 0 | 111.1 | I6 E8 L220 L225 G243 I247 | I6-F245 HydrophobicContact CG2-CB 4.4Å; E8-F245 HydrophobicContact CG-CE1 4.41Å; L220-F245 HydrophobicContact CD1-CG 4.32Å; L225-F245 HydrophobicContact CD1-CE2 3.71Å; L225-F245 HydrophobicContact CD1-CZ 4.45Å; L225-F245 HydrophobicContact CD2-CE2 3.9Å; L225-F245 HydrophobicContact CD2-CZ 3.8Å; L225-F245 HydrophobicContact CG-CE2 4.48Å; G243-F245 VanDerWaalsContact O-CD2 3.3Å; G243-F245 WeakPolarHBondContact O-CD2 3.35Å; G243-F245 WeakPolarHBondContact O-CE2 3.43Å; G243-F245 PolarHBondContact O-N 3.19Å; F245-I247 PolarHBondContact O-N 2.78Å |
| 246 | K | 73.1 | Confident | 64.6 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 34% | 0.335 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 100.2 | 176.7 | -173.5 | 162.6 | -176 | 165.2 | 0 | 110.8 | I6 K7 A244 | I6-K246 WeakPolarHBondContact CA-O 3.21Å; K7-K246 PolarHBondContact N-O 3.2Å; K7-K246 PolarHBondContact O-N 3.47Å; A244-K246 PolarHBondContact O-N 3.2Å |
| 247 | I | 75.7 | Confident | 64.9 | Low | 32 Ų | 32 | 96 Ų | 96 | 16% | 0.164 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.1 | 169.4 | -56.2 | 177.4 | 0 | 0 | 0 | 108.7 | I4 I6 I216 F245 L249 | I4-I247 HydrophobicContact CG2-CG2 4.35Å; I6-I247 HydrophobicContact CD1-CD1 4.49Å; I6-I247 HydrophobicContact CD1-CG1 4.09Å; I6-I247 HydrophobicContact CG1-CB 4.43Å; I6-I247 HydrophobicContact CG1-CG1 4.05Å; I6-I247 HydrophobicContact CG1-CG2 4.26Å; I6-I247 HydrophobicContact CG2-CG1 3.94Å; I216-I247 HydrophobicContact CG2-CD1 3.88Å; F245-I247 PolarHBondContact O-N 2.78Å; I247-L249 HydrophobicContact CG2-CD2 3.77Å; I247-L249 HydrophobicContact CG2-CG 4.18Å |
| 248 | K | 77.1 | Confident | 64.8 | Low | 137 Ų | 137 | 92.5 Ų | 92.5 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 108 | 167.1 | -174.7 | -177 | 177.5 | -177.1 | 0 | 109.4 | S5 | S5-K248 PolarHBondContact N-O 2.91Å; S5-K248 WeakPolarHBondContact O-CA 3.39Å; S5-K248 WeakPolarHBondContact O-CB 3.27Å; S5-K248 PolarHBondContact O-N 3.35Å |
| 249 | L | 73.2 | Confident | 64.6 | Low | 55 Ų | 55 | 92.4 Ų | 92.4 | 29% | 0.288 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 140.9 | 169.8 | -52.1 | 175.1 | 0 | 0 | 0 | 109.5 | I4 I209 V213 I247 | I4-L249 HydrophobicContact CB-CD2 4.35Å; I4-L249 HydrophobicContact CD1-CD2 3.64Å; I4-L249 HydrophobicContact CG1-CD2 3.67Å; I4-L249 HydrophobicContact CG2-CD2 3.82Å; I209-L249 HydrophobicContact CG2-CD1 3.63Å; V213-L249 HydrophobicContact CG2-CD1 4.4Å; I247-L249 HydrophobicContact CG2-CD2 3.77Å; I247-L249 HydrophobicContact CG2-CG 4.18Å |
| 250 | S | 70.2 | Confident | 64.8 | Low | 53 Ų | 53 | 93.8 Ų | 93.8 | 37% | 0.371 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 115.8 | 165.3 | 47.5 | 0 | 0 | 0 | 0 | 112 | R3 | R3-S250 CarbonylContact C-O 3.51Å; R3-S250 PolarHBondContact N-O 3.36Å; R3-S250 CarbonylContact O-C 3.42Å; R3-S250 WeakPolarHBondContact O-CA 3.12Å; R3-S250 PolarHBondContact O-N 2.78Å; R3-S250 PolarHBondContact O-OG 2.89Å |
| 251 | V | 69.3 | Low | 64.6 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 122.8 | 167.4 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 252 | M | 67.8 | Low | 64.5 | Low | 121 Ų | 121 | 95.3 Ų | 95.3 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -90 | 118.9 | 162.8 | -61 | -123 | 64.6 | 0 | 0 | 106.9 | M1 D254 | M1-M252 PolarHBondContact N-O 2.64Å; M1-M252 WeakPolarHBondContact O-CA 3.26Å; M1-M252 VanDerWaalsContact O-CB 3.26Å; M1-M252 WeakPolarHBondContact O-CB 3.41Å; M1-M252 PolarHBondContact O-N 2.95Å; M252-D254 PolarHBondContact O-N 3.47Å |
| 253 | P | 67.1 | Low | 64.6 | Low | 99 Ų | 99 | 101.1 Ų | 101.1 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 139.6 | 175.1 | 27.5 | -34.3 | 0 | 0 | 0 | 108.5 | L255 | P253-L255 PolarHBondContact O-N 3.22Å; P253-L255 VanDerWaalsContact O-N 3.15Å |
| 254 | D | 65.9 | Low | 64.1 | Low | 84 Ų | 84 | 106.5 Ų | 106.5 | 45% | 0.449 | 59% | 0.589 | S | S | . | * | | | trans | -70.5 | 115 | 179.8 | -71.9 | -55.4 | 0 | 0 | 0 | 109.4 | M1 M252 I256 | M1-D254 PolarHBondContact N-OD1 3.1Å; M1-D254 PolarHBondContact N-OD2 2.84Å; M252-D254 PolarHBondContact O-N 3.47Å; D254-I256 PolarHBondContact O-N 2.91Å |
| 255 | L | 65.9 | Low | 63.7 | Low | 176 Ų | 176 | 110.2 Ų | 110.2 | 92% | 0.921 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -65.8 | 13 | -177.8 | -69.1 | 164.8 | 0 | 0 | 0 | 113.8 | P253 | P253-L255 PolarHBondContact O-N 3.22Å; P253-L255 VanDerWaalsContact O-N 3.15Å |
| 256 | I | 64 | Low | 63 | Low | 150 Ų | 150 | 115.1 Ų | 115.1 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | | | trans | -131.6 | 62.5 | -175.8 | -44.2 | 179 | 0 | 0 | 0 | 107.6 | D254 P258 | D254-I256 PolarHBondContact O-N 2.91Å; I256-P258 WeakPolarHBondContact O-CD 3.2Å |
| 257 | S | 57.9 | Low | 62.1 | Low | 107 Ų | 107 | 118.4 Ų | 118.4 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | | | trans | -82.4 | 105.9 | 166.3 | 48 | 0 | 0 | 0 | 0 | 109.2 | T259 | S257-T259 PolarHBondContact O-N 3.01Š|
| 258 | P | 55.1 | Low | 61 | Low | 110 Ų | 110 | 122.4 Ų | 122.4 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | | | trans | -72.9 | 119.1 | -175.1 | 29.3 | -34.5 | 0 | 0 | 0 | 111.4 | I256 | I256-P258 WeakPolarHBondContact O-CD 3.2Š|
| 259 | T | 48.5 | Very low | 60.1 | Low | 101 Ų | 101 | 127.6 Ų | 127.6 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | | | trans | 58.1 | 89.2 | 157.5 | 55 | 0 | 0 | 0 | 0 | 118.5 | S257 Q262 | S257-T259 PolarHBondContact O-N 3.01Å; T259-Q262 HydrophobicContact CG2-CG 4.35Å |
| 260 | A | 56.3 | Low | 59.2 | Low | 107 Ų | 107 | 129.1 Ų | 129.1 | 88% | 0.884 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -91.7 | 5.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 261 | N | 52.6 | Low | 58.6 | Low | 129 Ų | 129 | 134.9 Ų | 134.9 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | | | trans | -129.7 | 37.1 | -171.4 | -98.5 | -57.5 | 0 | 0 | 0 | 114.2 | K263 | N261-K263 PolarHBondContact O-N 2.7Š|
| 262 | Q | 55.6 | Low | 57.7 | Low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -73.6 | 72.6 | 156 | -72.4 | -159.8 | 24.8 | 0 | 0 | 109.7 | T259 E264 | T259-Q262 HydrophobicContact CG2-CG 4.35Å; Q262-E264 PolarHBondContact O-N 3.47Å |
| 263 | K | 59.2 | Low | 56.8 | Low | 171 Ų | 171 | 142.3 Ų | 142.3 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | -64.7 | 117.9 | 164.4 | -84 | -175.5 | 176 | 176.5 | 0 | 108.2 | N261 I265 | N261-K263 PolarHBondContact O-N 2.7Å; K263-I265 PolarHBondContact O-N 3.15Å |
| 264 | E | 54.1 | Low | 56.4 | Low | 142 Ų | 142 | 144.6 Ų | 144.6 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | -33.5 | 94 | 175.8 | -172.6 | -161.6 | 179.9 | 0 | 0 | 112.9 | Q262 K266 | Q262-E264 PolarHBondContact O-N 3.47Å; E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 VanDerWaalsContact CD-NZ 3.26Å; E264-K266 HydrophobicContact CG-CG 4.13Å; E264-K266 PolarHBondContact O-N 2.94Å; E264-K266 WeakPolarHBondContact OE1-CE 3.47Å; E264-K266 IonicContact OE1-NZ 3.28Å; E264-K266 PolarHBondContact OE1-NZ 2.82Å; E264-K266 WeakPolarHBondContact OE2-CE 3.17Å; E264-K266 IonicContact OE2-NZ 2.64Å; E264-K266 PolarHBondContact OE2-NZ 3Å |
| 265 | I | 59 | Low | 56.1 | Low | 150 Ų | 150 | 150 Ų | 150 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -72.4 | 95 | 171.3 | -60.5 | -178.2 | 0 | 0 | 0 | 106.7 | K263 L267 | K263-I265 PolarHBondContact O-N 3.15Å; I265-L267 HydrophobicContact CG2-CD1 4.45Å; I265-L267 PolarHBondContact O-N 2.94Å |
| 266 | K | 55.3 | Low | 55.8 | Low | 155 Ų | 155 | 147.5 Ų | 147.5 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | | | trans | -64 | 84.2 | 173.2 | -78.8 | -177.4 | 164.6 | 100.6 | 0 | 109.9 | E264 | E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 VanDerWaalsContact CD-NZ 3.26Å; E264-K266 HydrophobicContact CG-CG 4.13Å; E264-K266 PolarHBondContact O-N 2.94Å; E264-K266 WeakPolarHBondContact OE1-CE 3.47Å; E264-K266 IonicContact OE1-NZ 3.28Å; E264-K266 PolarHBondContact OE1-NZ 2.82Å; E264-K266 WeakPolarHBondContact OE2-CE 3.17Å; E264-K266 IonicContact OE2-NZ 2.64Å; E264-K266 PolarHBondContact OE2-NZ 3Å |
| 267 | L | 53.6 | Low | 55.4 | Low | 146 Ų | 146 | 149.6 Ų | 149.6 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | -55.6 | 126.2 | 176 | -140.9 | 75.4 | 0 | 0 | 0 | 108.8 | I265 R269 | I265-L267 HydrophobicContact CG2-CD1 4.45Å; I265-L267 PolarHBondContact O-N 2.94Å; L267-R269 PolarHBondContact O-N 3.27Å |
| 268 | P | 54.3 | Low | 55.5 | Low | 116 Ų | 116 | 153.7 Ų | 153.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -60.9 | 128.8 | -176.3 | 23 | -32.8 | 0 | 0 | 0 | 110.2 | A270 | P268-A270 VanDerWaalsContact C-N 3.27Å; P268-A270 PolarHBondContact O-N 3.18Å |
| 269 | R | 58 | Low | 55.9 | Low | 246 Ų | 246 | 154.2 Ų | 154.2 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | | | trans | -69.5 | 78 | -172.5 | -170.9 | 178.8 | -176.9 | 169.9 | 1.3 | 111.5 | L267 Q271 | L267-R269 PolarHBondContact O-N 3.27Å; R269-Q271 PolarHBondContact O-N 2.94Å |
| 270 | A | 53.6 | Low | 56.6 | Low | 87 Ų | 87 | 154.9 Ų | 154.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -55.3 | 122.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | P268 R272 | P268-A270 VanDerWaalsContact C-N 3.27Å; P268-A270 PolarHBondContact O-N 3.18Å; A270-R272 PolarHBondContact O-N 3.09Å |
| 271 | Q | 56.6 | Low | 57.3 | Low | 173 Ų | 173 | 155.5 Ų | 155.5 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | -71.3 | 89.2 | -176.5 | -68.9 | -177.9 | -11.9 | 0 | 0 | 111.4 | R269 N273 | R269-Q271 PolarHBondContact O-N 2.94Å; Q271-N273 VanDerWaalsContact C-N 3.26Å; Q271-N273 PolarHBondContact O-N 2.93Å |
| 272 | R | 52.4 | Low | 57.3 | Low | 227 Ų | 227 | 156.3 Ų | 156.3 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | -72.1 | 84.8 | 163.7 | -78.8 | -173.4 | 171.5 | 159.9 | -0.6 | 110 | A270 L274 | A270-R272 PolarHBondContact O-N 3.09Å; R272-L274 PolarHBondContact O-N 3.12Å |
| 273 | N | 47.9 | Very low | 57.2 | Low | 144 Ų | 144 | 158.4 Ų | 158.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | -65.5 | 77.2 | 164.9 | -87.4 | -57.4 | 0 | 0 | 0 | 110.4 | Q271 | Q271-N273 VanDerWaalsContact C-N 3.26Å; Q271-N273 PolarHBondContact O-N 2.93Å |
| 274 | L | 58.9 | Low | 56.7 | Low | 147 Ų | 147 | 159.1 Ų | 159.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -104.4 | 107.5 | 168.6 | -74.1 | 169.5 | 0 | 0 | 0 | 108.3 | R272 | R272-L274 PolarHBondContact O-N 3.12Š|
| 275 | K | 59.8 | Low | 56.8 | Low | 197 Ų | 197 | 157.4 Ų | 157.4 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | -61.6 | 136.6 | 177 | -66.8 | 177.6 | 178.1 | 177.5 | 0 | 109.5 | Q277 | K275-Q277 PolarHBondContact O-N 3.24Š|
| 276 | P | 58.5 | Low | 56.5 | Low | 125 Ų | 125 | 157.2 Ų | 157.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -65.2 | 120.8 | 173.8 | 26.8 | -33.2 | 0 | 0 | 0 | 110 | K278 | P276-K278 PolarHBondContact O-N 2.88Š|
| 277 | Q | 55.7 | Low | 56.2 | Low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -74 | 96.2 | 175.1 | -169.8 | 177.4 | 35.3 | 0 | 0 | 108.8 | K275 V279 | K275-Q277 PolarHBondContact O-N 3.24Å; Q277-V279 PolarHBondContact O-N 3.22Å |
| 278 | K | 61.3 | Low | 56 | Low | 194 Ų | 194 | 154.9 Ų | 154.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -74.3 | 115.7 | -177.1 | -169.8 | 176.9 | -179 | -177.7 | 0 | 110.4 | P276 | P276-K278 PolarHBondContact O-N 2.88Š|
| 279 | V | 63.4 | Low | 55.9 | Low | 121 Ų | 121 | 156.8 Ų | 156.8 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.1 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | Q277 | Q277-V279 PolarHBondContact O-N 3.22Š|
| 280 | P | 63.3 | Low | 55.5 | Low | 115 Ų | 115 | 153.3 Ų | 153.3 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 125.3 | 174.8 | 31.9 | -31.9 | 0 | 0 | 0 | 111.4 | | |
| 281 | P | 69.6 | Low | 55.2 | Low | 120 Ų | 120 | 155.3 Ų | 155.3 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 146.9 | 162.3 | 32.9 | -32 | 0 | 0 | 0 | 110.7 | | |
| 282 | E | 53.8 | Low | 54.4 | Low | 146 Ų | 146 | 153.8 Ų | 153.8 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 168.5 | 172.7 | -53.3 | -176.3 | 107.6 | 0 | 0 | 112.9 | | |
| 283 | R | 52.3 | Low | 54.3 | Low | 212 Ų | 212 | 150.3 Ų | 150.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | 75.6 | 145.3 | 162 | -54.3 | 158.4 | -155.2 | -161.8 | 4.6 | 115.2 | | |
| 284 | K | 50.3 | Low | 54.2 | Low | 185 Ų | 185 | 151.5 Ų | 151.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | cis | -172.8 | 168.4 | -32.3 | -124.4 | 179.9 | -178.7 | -174.3 | 0 | 106 | | |
| 285 | T | 55.1 | Low | 53.6 | Low | 107 Ų | 107 | 151.8 Ų | 151.8 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | trans | 58.7 | 97.7 | 162.5 | 54.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 286 | D | 54.1 | Low | 52.9 | Low | 146 Ų | 146 | 146.4 Ų | 146.4 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | | 72.1 | 140.3 | 116.9 | -42.9 | -31 | 0 | 0 | 0 | 123.5 | | |
| 287 | A | 48.9 | Very low | 52.2 | Low | 98 Ų | 98 | 151.9 Ų | 151.9 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 64.5 | 153 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 288 | E | 49.2 | Very low | 51.9 | Low | 154 Ų | 154 | 150.2 Ų | 150.2 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | cis | -163.8 | 170 | -32.2 | -156.2 | -173.3 | 90.2 | 0 | 0 | 107 | | |
| 289 | Q | 51.1 | Low | 51.1 | Low | 156 Ų | 156 | 151.7 Ų | 151.7 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | 66.5 | 126.2 | 169.3 | -61.6 | 154.5 | 31.9 | 0 | 0 | 115.7 | | |
| 290 | Q | 50.1 | Low | 50.3 | Low | 172 Ų | 172 | 150.1 Ų | 150.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | cis | 96.7 | 110.1 | 32.5 | -174.9 | 174.3 | 4 | 0 | 0 | 113.8 | | |
| 291 | C | 46.4 | Very low | 49.8 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -175.6 | 134.4 | 138.1 | -105.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 292 | D | 41.7 | Very low | 48.7 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | -83.4 | 171.6 | 175 | -54.3 | -94.3 | 0 | 0 | 0 | 113.3 | | |
| 293 | I | 50.1 | Low | 48.3 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | | | trans | -170.7 | 121.6 | 141.6 | -100.8 | 148.7 | 0 | 0 | 0 | 113 | | |
| 294 | F | 44 | Very low | 48 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | 50.5 | 132.4 | 151.6 | -66.3 | -110.4 | 0 | 0 | 0 | 121 | | |
| 295 | I | 47.7 | Very low | 48 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | cis | 73.2 | 127.1 | 48.2 | -59 | 165.2 | 0 | 0 | 0 | 111.6 | | |
| 296 | A | 43.7 | Very low | 47.5 | Very low | 85 Ų | 85 | 151.2 Ų | 151.2 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | | | cis | -137.4 | 169.4 | 12.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 297 | R | 44.5 | Very low | 46.9 | Very low | 240 Ų | 240 | 151 Ų | 151 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | cis | 91.5 | 97.5 | 15.1 | -178 | -156.9 | 145.7 | 155.6 | -5.9 | 117.3 | | |
| 298 | D | 49.9 | Very low | 46.8 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -154.7 | 179.1 | 147.1 | -149.5 | -4.9 | 0 | 0 | 0 | 114.9 | | |
| 299 | R | 45.3 | Very low | 46.8 | Very low | 224 Ų | 224 | 151.3 Ų | 151.3 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -137.9 | 159.5 | -169.3 | -62.3 | 169.2 | 156.3 | 174.4 | -7.5 | 114.4 | | |
| 300 | S | 45.2 | Very low | 46.5 | Very low | 88 Ų | 88 | 147 Ų | 147 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | | 126.3 | 150.1 | 114.6 | 81.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 301 | K | 53.5 | Low | 46 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | 80.6 | 118.2 | 149.1 | -68.9 | 157.6 | -166.6 | 167.6 | 0 | 121.7 | | |
| 302 | N | 46.5 | Very low | 45.8 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | | 53.1 | 140.6 | 126.2 | -54.1 | -8.7 | 0 | 0 | 0 | 119.8 | | |
| 303 | A | 44.9 | Very low | 45.7 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | cis | -151 | 160 | 35.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 304 | K | 46.7 | Very low | 45 | Very low | 186 Ų | 186 | 145.7 Ų | 145.7 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | | | | 55.2 | 140.8 | 103.5 | -62 | -173.7 | 179.3 | -174.2 | 0 | 115.5 | | |
| 305 | N | 49.4 | Very low | 44.9 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 57% | 0.572 | 78% | 0.777 | S | S | * | * | | | cis | -164 | 157.8 | 18.4 | -128.8 | 4.3 | 0 | 0 | 0 | 113.7 | | |
| 306 | Y | 44.9 | Very low | 44.4 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 60.3 | 165.1 | 161.4 | -58.2 | -62 | 0 | 0 | 0 | 122.1 | | |
| 307 | D | 42.4 | Very low | 44.4 | Very low | 141 Ų | 141 | 153.7 Ų | 153.7 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | | -174.4 | -178.9 | -60.7 | -166.6 | 11.8 | 0 | 0 | 0 | 109.7 | | |
| 308 | V | 46.5 | Very low | 44 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | 99.1 | 94.7 | 158.6 | -170.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 309 | V | 47.9 | Very low | 43.6 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | | | trans | 52.2 | 133.1 | 131.3 | -175.3 | 0 | 0 | 0 | 0 | 120 | | |
| 310 | G | 44.6 | Very low | 43.3 | Very low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | | | cis | 173 | -177.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 311 | H | 39.6 | Very low | 43.1 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | | | trans | -88 | -176.3 | -178.5 | -55.8 | -103.2 | 0 | 0 | 0 | 111.9 | | |
| 312 | T | 42.3 | Very low | 42.5 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | cis | -165.9 | 165.7 | 17.1 | -21.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 313 | A | 39.9 | Very low | 42.4 | Very low | 87 Ų | 87 | 148.7 Ų | 148.7 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | | | trans | 69.7 | 110.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 314 | L | 35.2 | Very low | 42.2 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | | 6 | 133.1 | 128.8 | -72.4 | 161.8 | 0 | 0 | 0 | 119.9 | | |
| 315 | R | 41.7 | Very low | 41.9 | Very low | 252 Ų | 252 | 145.2 Ų | 145.2 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | | | trans | -155.7 | 150.1 | 131.9 | -118 | 171.4 | -170.5 | 166.7 | 4.4 | 113.6 | | |
| 316 | V | 38.3 | Very low | 41.5 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -98.6 | 144.3 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 317 | Y | 43 | Very low | 41.4 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | trans | -145.3 | 156.2 | 152.5 | -139.3 | -101.6 | 0 | 0 | 0 | 113.1 | | |
| 318 | K | 36.9 | Very low | 41.3 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -151.3 | 119.7 | -166.7 | 172.4 | -173.4 | 178.6 | -179 | 0 | 109.8 | | |
| 319 | R | 40 | Very low | 41.1 | Very low | 214 Ų | 214 | 137 Ų | 137 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | | | trans | 178.3 | 165.1 | 166.4 | -100.2 | 158.8 | -170.3 | -161.3 | 3.4 | 109.7 | | |
| 320 | S | 39.9 | Very low | 40.6 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | | | cis | 173.5 | 139.5 | -49.2 | -98.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 321 | F | 41.2 | Very low | 40.4 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | 67.8 | 147.1 | 160.2 | -60.1 | -61.3 | 0 | 0 | 0 | 120.7 | | |
| 322 | G | 41.2 | Very low | 40.6 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 129.8 | 121.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 323 | N | 43.2 | Very low | 40.2 | Very low | 170 Ų | 170 | 139 Ų | 139 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | | -164.2 | 138.6 | -73.3 | -172.8 | 40.9 | 0 | 0 | 0 | 109.9 | | |
| 324 | G | 41 | Very low | 40.3 | Very low | 61 Ų | 61 | 141.3 Ų | 141.3 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | | | trans | 76 | 165 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 325 | C | 40.8 | Very low | 40.5 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | | | cis | -170.2 | 163.5 | -10.3 | -97.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 326 | A | 41.7 | Very low | 40.7 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | cis | -173.1 | 154 | -26.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 327 | G | 41 | Very low | 40.7 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | trans | 113 | 143 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 328 | G | 41.9 | Very low | 40.6 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 144.4 | 56.3 | 176 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 329 | T | 40.8 | Very low | 40.9 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -1.4 | 116.7 | 165.9 | 51.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 330 | S | 37.8 | Very low | 40.6 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | 50 | 116.8 | 135.9 | 63.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 331 | H | 41 | Very low | 40.5 | Very low | 183 Ų | 183 | 127 Ų | 127 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | | -151.2 | 167.8 | 114 | -123.3 | -87.7 | 0 | 0 | 0 | 111.8 | | |
| 332 | T | 43.9 | Very low | 40.5 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -67.8 | 128.2 | -164.6 | 47.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 333 | E | 33.7 | Very low | 40.2 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 71% | 0.71 | 80% | 0.804 | S | S | * | * | | | trans | -78.3 | 115.8 | 176.7 | -178.5 | -169.6 | -153.6 | 0 | 0 | 112.8 | K335 | E333-K335 VanDerWaalsContact CD-CE 3.43Å; E333-K335 HydrophobicContact CG-CG 4.17Å; E333-K335 PolarHBondContact O-N 2.92Å; E333-K335 WeakPolarHBondContact OE2-CE 3.47Å; E333-K335 IonicContact OE2-NZ 3.56Å |
| 334 | T | 42.9 | Very low | 40 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | -84.3 | 96.2 | 169.7 | 26.5 | 0 | 0 | 0 | 0 | 111.3 | L336 | T334-L336 PolarHBondContact O-N 2.64Š|
| 335 | K | 38.6 | Very low | 39.8 | Very low | 167 Ų | 167 | 139 Ų | 139 | 73% | 0.726 | 81% | 0.807 | S | S | * | * | | | trans | -67.1 | 122 | 177.5 | -66.6 | -173.6 | 178.6 | -179.3 | 0 | 111.6 | E333 | E333-K335 VanDerWaalsContact CD-CE 3.43Å; E333-K335 HydrophobicContact CG-CG 4.17Å; E333-K335 PolarHBondContact O-N 2.92Å; E333-K335 WeakPolarHBondContact OE2-CE 3.47Å; E333-K335 IonicContact OE2-NZ 3.56Å |
| 336 | L | 46.2 | Very low | 39.8 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -64.1 | 141.9 | 175.3 | -73.3 | 159 | 0 | 0 | 0 | 111.1 | T334 A338 | T334-L336 PolarHBondContact O-N 2.64Å; L336-A338 PolarHBondContact O-N 3.28Å |
| 337 | C | 37.5 | Very low | 39.8 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 72% | 0.716 | 78% | 0.782 | S | S | * | * | | | trans | -76.1 | 113.9 | 177.7 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | S339 | C337-S339 VanDerWaalsContact C-N 3.27Å; C337-S339 PolarHBondContact O-N 3.29Å; C337-S339 PolarHBondContact SG-OG 2.91Å; C337-S339 VanDerWaalsContact SG-OG 3.32Å |
| 338 | A | 41.4 | Very low | 40.1 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 6.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L336 | L336-A338 PolarHBondContact O-N 3.28Š|
| 339 | S | 43 | Very low | 40.8 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -18.2 | -173.4 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | C337 N341 | C337-S339 VanDerWaalsContact C-N 3.27Å; C337-S339 PolarHBondContact O-N 3.29Å; C337-S339 PolarHBondContact SG-OG 2.91Å; C337-S339 VanDerWaalsContact SG-OG 3.32Å; S339-N341 PolarHBondContact O-N 3.36Å |
| 340 | C | 34.8 | Very low | 41.4 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | | | trans | -94.9 | 75.1 | -172.3 | -156.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 341 | N | 36.9 | Very low | 41.8 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | | | trans | -130.8 | 52.7 | -175.4 | -169.9 | 35.3 | 0 | 0 | 0 | 112.9 | S339 | S339-N341 PolarHBondContact O-N 3.36Š|
| 342 | H | 41.4 | Very low | 42.3 | Very low | 194 Ų | 194 | 135 Ų | 135 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | | | trans | -138.5 | 141.9 | 166.7 | -104.1 | -87 | 0 | 0 | 0 | 111.8 | | |
| 343 | R | 35.7 | Very low | 42.8 | Very low | 216 Ų | 216 | 133 Ų | 133 | 82% | 0.815 | 70% | 0.701 | S | S | * | * | | | trans | -85.6 | 146.8 | 172.9 | -85.4 | -179.6 | 171.3 | 152.7 | -5.9 | 110.6 | | |
| 344 | D | 38.7 | Very low | 43.5 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 53.3 | 122.6 | 150.8 | -45.5 | -31.9 | 0 | 0 | 0 | 117.6 | | |
| 345 | Y | 35.7 | Very low | 43.8 | Very low | 233 Ų | 233 | 128.2 Ų | 128.2 | 91% | 0.914 | 69% | 0.688 | S | S | * | * | | | trans | 72 | 104.4 | -172 | -55.4 | -86.9 | 0 | 0 | 0 | 115.2 | | |
| 346 | V | 41.1 | Very low | 44.7 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | | | trans | -108.5 | 139.4 | 162.9 | 175.8 | 0 | 0 | 0 | 0 | 107.7 | E350 | V346-E350 HydrophobicContact CG1-CB 4.12Š|
| 347 | N | 42 | Very low | 45 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | | | trans | -78.8 | 142.8 | -178.2 | -166.4 | -4.5 | 0 | 0 | 0 | 110.8 | S349 E350 L351 | N347-S349 PolarHBondContact ND2-OG 3.33Å; N347-S349 PolarHBondContact O-N 3.35Å; N347-S349 VanDerWaalsContact O-N 3.17Å; N347-E350 HydrophobicContact CB-CG 4.08Å; N347-E350 WeakPolarHBondContact CB-OE2 3.42Å; N347-E350 PolarHBondContact N-OE2 3.19Å; N347-E350 WeakPolarHBondContact O-CB 3.4Å; N347-E350 PolarHBondContact O-N 2.97Å; N347-L351 PolarHBondContact O-N 3.07Å |
| 348 | L | 46.6 | Very low | 45.5 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -58.8 | -33.1 | -178.2 | -76.8 | 166.1 | 0 | 0 | 0 | 112.4 | E350 L351 E352 | L348-E350 VanDerWaalsContact C-N 3.26Å; L348-E350 PolarHBondContact O-N 3.37Å; L348-L351 PolarHBondContact O-N 3.17Å; L348-E352 PolarHBondContact O-N 3.32Å |
| 349 | S | 56.2 | Low | 45.8 | Very low | 61 Ų | 61 | 135.3 Ų | 135.3 | 43% | 0.427 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -69.7 | -15.8 | 175.1 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | N347 N353 | N347-S349 PolarHBondContact ND2-OG 3.33Å; N347-S349 PolarHBondContact O-N 3.35Å; N347-S349 VanDerWaalsContact O-N 3.17Å; S349-N353 PolarHBondContact O-ND2 3.27Å |
| 350 | E | 54.7 | Low | 45.9 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 52% | 0.523 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -86.8 | -33.8 | 174.6 | -64.1 | 167 | 157.7 | 0 | 0 | 110.5 | V346 N347 L348 N353 C354 | V346-E350 HydrophobicContact CG1-CB 4.12Å; N347-E350 HydrophobicContact CB-CG 4.08Å; N347-E350 WeakPolarHBondContact CB-OE2 3.42Å; N347-E350 PolarHBondContact N-OE2 3.19Å; N347-E350 WeakPolarHBondContact O-CB 3.4Å; N347-E350 PolarHBondContact O-N 2.97Å; L348-E350 VanDerWaalsContact C-N 3.26Å; L348-E350 PolarHBondContact O-N 3.37Å; E350-N353 PolarHBondContact O-N 3.47Å; E350-C354 PolarHBondContact O-N 3.12Å |
| 351 | L | 46.5 | Very low | 46.1 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 35% | 0.351 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.7 | -38.7 | 176.9 | -163.1 | 70 | 0 | 0 | 0 | 112.1 | N347 L348 N353 C354 | N347-L351 PolarHBondContact O-N 3.07Å; L348-L351 PolarHBondContact O-N 3.17Å; L351-N353 VanDerWaalsContact C-N 3.26Å; L351-N353 PolarHBondContact O-N 3.16Å; L351-C354 WeakPolarHBondContact O-CB 3.46Å; L351-C354 PolarHBondContact O-N 2.9Å |
| 352 | E | 51.1 | Low | 46.6 | Very low | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.4 | -31.3 | 174.9 | -73 | -163.7 | 125.2 | 0 | 0 | 113.4 | L348 R356 | L348-E352 PolarHBondContact O-N 3.32Å; E352-R356 WeakPolarHBondContact O-CB 3.4Å |
| 353 | N | 53.5 | Low | 46.8 | Very low | 82 Ų | 82 | 126.1 Ų | 126.1 | 44% | 0.439 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -77.2 | -34.6 | 178.2 | -67.9 | -33.8 | 0 | 0 | 0 | 112 | S349 E350 L351 C355 R356 D357 | S349-N353 PolarHBondContact O-ND2 3.27Å; E350-N353 PolarHBondContact O-N 3.47Å; L351-N353 VanDerWaalsContact C-N 3.26Å; L351-N353 PolarHBondContact O-N 3.16Å; N353-C355 VanDerWaalsContact C-N 3.25Å; N353-C355 PolarHBondContact O-N 3.1Å; N353-R356 WeakPolarHBondContact O-CB 3.48Å; N353-R356 PolarHBondContact O-N 2.88Å; N353-D357 PolarHBondContact O-N 3.1Å; N353-D357 VanDerWaalsContact O-N 3.16Å |
| 354 | C | 48.2 | Very low | 47.8 | Very low | 96 Ų | 96 | 120 Ų | 120 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.7 | -35 | 179 | -172.5 | 0 | 0 | 0 | 0 | 113.2 | E350 L351 | E350-C354 PolarHBondContact O-N 3.12Å; L351-C354 WeakPolarHBondContact O-CB 3.46Å; L351-C354 PolarHBondContact O-N 2.9Å |
| 355 | C | 49.3 | Very low | 49.1 | Very low | 93 Ų | 93 | 118.9 Ų | 118.9 | 63% | 0.628 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -4 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 114.3 | N353 | N353-C355 VanDerWaalsContact C-N 3.25Å; N353-C355 PolarHBondContact O-N 3.1Å |
| 356 | R | 58.6 | Low | 50.4 | Low | 193 Ų | 193 | 112.6 Ų | 112.6 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -38.5 | -173.5 | -169.8 | 174.2 | -173.5 | 156.4 | 1.4 | 112.6 | E352 N353 | E352-R356 WeakPolarHBondContact O-CB 3.4Å; N353-R356 WeakPolarHBondContact O-CB 3.48Å; N353-R356 PolarHBondContact O-N 2.88Å |
| 357 | D | 51.7 | Low | 51.3 | Low | 103 Ų | 103 | 112.9 Ų | 112.9 | 55% | 0.551 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -80.8 | 121.3 | 175.5 | -71.8 | -40.4 | 0 | 0 | 0 | 111 | N353 H359 | N353-D357 PolarHBondContact O-N 3.1Å; N353-D357 VanDerWaalsContact O-N 3.16Å; D357-H359 PolarHBondContact O-N 3.37Å |
| 358 | R | 47.9 | Very low | 52 | Low | 249 Ų | 249 | 113.5 Ų | 113.5 | 94% | 0.94 | 61% | 0.614 | S | S | * | * | | | trans | -73.5 | 65.8 | -172.9 | -68.7 | -177.7 | 170.8 | -167.3 | -1.7 | 112.9 | | |
| 359 | H | 48 | Very low | 52.7 | Low | 152 Ų | 152 | 111.2 Ų | 111.2 | 70% | 0.704 | 60% | 0.602 | S | S | * | * | | | trans | -70.4 | 137.7 | 173.1 | -72.6 | -73.8 | 0 | 0 | 0 | 111.5 | D357 C361 | D357-H359 PolarHBondContact O-N 3.37Å; H359-C361 PolarHBondContact O-N 3.01Å |
| 360 | S | 45 | Very low | 53.2 | Low | 127 Ų | 127 | 116.6 Ų | 116.6 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | | | trans | -74 | 65.5 | -172 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 361 | C | 40.2 | Very low | 53.6 | Low | 77 Ų | 77 | 115.9 Ų | 115.9 | 52% | 0.52 | 61% | 0.609 | S | S | . | * | | | trans | -62.9 | 143 | 159.7 | -63.1 | 0 | 0 | 0 | 0 | 109.3 | H359 | H359-C361 PolarHBondContact O-N 3.01Š|
| 362 | S | 46.6 | Very low | 54.5 | Low | 73 Ų | 73 | 114.6 Ų | 114.6 | 51% | 0.51 | 61% | 0.606 | S | S | . | * | | | trans | -58.6 | 143.9 | -167.5 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | N364 | S362-N364 PolarHBondContact O-N 3.4Š|
| 363 | G | 46.1 | Very low | 54.9 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 96% | 0.959 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -67.1 | 22.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 364 | N | 57.2 | Low | 55.3 | Low | 86 Ų | 86 | 119.8 Ų | 119.8 | 46% | 0.46 | 62% | 0.622 | S | S | . | * | | | trans | -102.8 | 110.7 | 170.2 | -176.9 | -18.2 | 0 | 0 | 0 | 109.1 | S362 I366 H367 H368 | S362-N364 PolarHBondContact O-N 3.4Å; N364-I366 PolarHBondContact O-N 2.78Å; N364-I366 VanDerWaalsContact O-N 3.09Å; N364-I366 WeakPolarHBondContact OD1-CB 3.42Å; N364-I366 PolarHBondContact OD1-N 2.87Å; N364-I366 VanDerWaalsContact OD1-N 3.07Å; N364-H367 HydrophobicContact CB-CB 4.44Å; N364-H367 WeakPolarHBondContact O-CB 3.4Å; N364-H367 PolarHBondContact O-N 3.16Å; N364-H368 PolarHBondContact O-N 3.27Å |
| 365 | V | 64.4 | Low | 56.2 | Low | 106 Ų | 106 | 121.5 Ų | 121.5 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -50.3 | -36.9 | -179 | 177.2 | 0 | 0 | 0 | 0 | 112.6 | H367 H368 I369 | V365-H367 PolarHBondContact O-N 2.93Å; V365-H368 PolarHBondContact O-N 3.23Å; V365-I369 HydrophobicContact CG1-CD1 3.87Å; V365-I369 HydrophobicContact CG1-CG1 4.46Å; V365-I369 WeakPolarHBondContact O-CG1 3.35Å; V365-I369 PolarHBondContact O-N 3.25Å; V365-I369 VanDerWaalsContact O-N 3.1Å |
| 366 | I | 64.4 | Low | 56.3 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.6 | -32.5 | 179.7 | -56.1 | 174.6 | 0 | 0 | 0 | 111.3 | N364 R370 | N364-I366 PolarHBondContact O-N 2.78Å; N364-I366 VanDerWaalsContact O-N 3.09Å; N364-I366 WeakPolarHBondContact OD1-CB 3.42Å; N364-I366 PolarHBondContact OD1-N 2.87Å; N364-I366 VanDerWaalsContact OD1-N 3.07Å; I366-R370 WeakPolarHBondContact O-CG 3.44Å; I366-R370 PolarHBondContact O-N 2.91Å |
| 367 | H | 59.8 | Low | 56.3 | Low | 119 Ų | 119 | 118.9 Ų | 118.9 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -78.3 | -31.5 | -179.9 | -137.7 | -73.3 | 0 | 0 | 0 | 112.4 | N364 V365 H371 | N364-H367 HydrophobicContact CB-CB 4.44Å; N364-H367 WeakPolarHBondContact O-CB 3.4Å; N364-H367 PolarHBondContact O-N 3.16Å; V365-H367 PolarHBondContact O-N 2.93Å; H367-H371 WeakPolarHBondContact O-CB 2.82Å; H367-H371 PolarHBondContact O-N 3.3Å |
| 368 | H | 56.9 | Low | 56 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 51% | 0.505 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.5 | -46 | 173.4 | -171.1 | -11.2 | 0 | 0 | 0 | 111.3 | N364 V365 H371 C372 | N364-H368 PolarHBondContact O-N 3.27Å; V365-H368 PolarHBondContact O-N 3.23Å; H368-H371 PolarHBondContact O-N 3.43Å; H368-C372 VanDerWaalsContact CE1-SG 3.55Å; H368-C372 PolarHBondContact ND1-SG 3.2Å; H368-C372 VanDerWaalsContact ND1-SG 3.43Å; H368-C372 PolarHBondContact O-N 3.31Å; H368-C372 PolarHBondContact O-SG 3.09Å |
| 369 | I | 61.3 | Low | 55.6 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 46% | 0.456 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57 | -52.9 | 176.7 | -67 | 166 | 0 | 0 | 0 | 110.2 | V365 H371 C372 D373 | V365-I369 HydrophobicContact CG1-CD1 3.87Å; V365-I369 HydrophobicContact CG1-CG1 4.46Å; V365-I369 WeakPolarHBondContact O-CG1 3.35Å; V365-I369 PolarHBondContact O-N 3.25Å; V365-I369 VanDerWaalsContact O-N 3.1Å; I369-H371 PolarHBondContact O-N 3.41Å; I369-H371 VanDerWaalsContact O-N 3.16Å; I369-C372 PolarHBondContact O-N 2.88Å; I369-C372 VanDerWaalsContact O-N 3.12Å; I369-D373 WeakPolarHBondContact CG2-OD2 3.39Å; I369-D373 PolarHBondContact O-N 3.19Å |
| 370 | R | 65.2 | Low | 55.2 | Low | 175 Ų | 175 | 109.9 Ų | 109.9 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.5 | -21.4 | 179.6 | -73.2 | 177.6 | 174.2 | -176.2 | -1.4 | 114.8 | I366 | I366-R370 WeakPolarHBondContact O-CG 3.44Å; I366-R370 PolarHBondContact O-N 2.91Å |
| 371 | H | 64.2 | Low | 55.1 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 44% | 0.444 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -79.6 | -43.9 | 173.9 | -171.5 | 50.6 | 0 | 0 | 0 | 110.8 | H367 H368 I369 R374 H375 | H367-H371 WeakPolarHBondContact O-CB 2.82Å; H367-H371 PolarHBondContact O-N 3.3Å; H368-H371 PolarHBondContact O-N 3.43Å; I369-H371 PolarHBondContact O-N 3.41Å; I369-H371 VanDerWaalsContact O-N 3.16Å; H371-R374 PolarHBondContact O-N 3.07Å; H371-H375 AromaticContact CE1-CD2 3.64Å; H371-H375 AromaticContact ND1-CD2 3.51Å; H371-H375 PolarHBondContact O-CD2 2.77Å; H371-H375 PolarHBondContact O-N 3.36Å |
| 372 | C | 64.3 | Low | 55.2 | Low | 41 Ų | 41 | 112.9 Ų | 112.9 | 28% | 0.277 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.2 | -47.7 | 174.6 | -66.3 | 0 | 0 | 0 | 0 | 112 | H368 I369 R374 H375 C376 | H368-C372 VanDerWaalsContact CE1-SG 3.55Å; H368-C372 PolarHBondContact ND1-SG 3.2Å; H368-C372 VanDerWaalsContact ND1-SG 3.43Å; H368-C372 PolarHBondContact O-N 3.31Å; H368-C372 PolarHBondContact O-SG 3.09Å; I369-C372 PolarHBondContact O-N 2.88Å; I369-C372 VanDerWaalsContact O-N 3.12Å; C372-R374 PolarHBondContact O-N 3.23Å; C372-H375 PolarHBondContact O-N 3.25Å; C372-H375 VanDerWaalsContact O-N 3.1Å; C372-C376 PolarHBondContact O-N 2.8Å |
| 373 | D | 60.6 | Low | 54.8 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 65% | 0.652 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -56.1 | -23.4 | 179.3 | -71.9 | -22.9 | 0 | 0 | 0 | 114 | I369 | I369-D373 WeakPolarHBondContact CG2-OD2 3.39Å; I369-D373 PolarHBondContact O-N 3.19Å |
| 374 | R | 61.4 | Low | 54 | Low | 216 Ų | 216 | 121.8 Ų | 121.8 | 82% | 0.815 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -100.3 | -12.4 | -178.6 | -81.9 | -173.5 | 166.1 | -169.2 | -4.3 | 115.1 | H371 C372 | H371-R374 PolarHBondContact O-N 3.07Å; C372-R374 PolarHBondContact O-N 3.23Å |
| 375 | H | 66.4 | Low | 53.1 | Low | 132 Ų | 132 | 122.9 Ų | 122.9 | 61% | 0.611 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -132.1 | -7.2 | -173.6 | -66.4 | -68.4 | 0 | 0 | 0 | 114.5 | H371 C372 | H371-H375 AromaticContact CE1-CD2 3.64Å; H371-H375 AromaticContact ND1-CD2 3.51Å; H371-H375 PolarHBondContact O-CD2 2.77Å; H371-H375 PolarHBondContact O-N 3.36Å; C372-H375 PolarHBondContact O-N 3.25Å; C372-H375 VanDerWaalsContact O-N 3.1Å |
| 376 | C | 51.1 | Low | 51.5 | Low | 27 Ų | 27 | 129.2 Ų | 129.2 | 18% | 0.182 | 64% | 0.639 | C | S | . | * | | | trans | -129.3 | 115.8 | 178.5 | -66.6 | 0 | 0 | 0 | 0 | 110 | C372 C378 | C372-C376 PolarHBondContact O-N 2.8Å; C376-C378 HydrophobicContact CB-CB 4.41Å; C376-C378 PolarHBondContact O-N 2.8Å |
| 377 | H | 58.8 | Low | 50.3 | Low | 205 Ų | 205 | 132.4 Ų | 132.4 | 95% | 0.949 | 66% | 0.657 | S | S | * | * | | | trans | -73.2 | 35.4 | 169.4 | -76 | -66.5 | 0 | 0 | 0 | 112.6 | | |
| 378 | C | 45.3 | Very low | 49.1 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 58% | 0.581 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 127.8 | 177.6 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | C376 | C376-C378 HydrophobicContact CB-CB 4.41Å; C376-C378 PolarHBondContact O-N 2.8Å |
| 379 | P | 40 | Very low | 48.4 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 69% | 0.688 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 147.4 | 169.7 | 28 | -33.9 | 0 | 0 | 0 | 109.8 | I381 | P379-I381 PolarHBondContact O-N 2.76Å; P379-I381 VanDerWaalsContact O-N 3.12Å |
| 380 | P | 40.7 | Very low | 47.1 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.1 | -172.7 | 24 | -33.9 | 0 | 0 | 0 | 111.5 | V382 | P380-V382 PolarHBondContact O-N 3.06Å; P380-V382 VanDerWaalsContact O-N 3.09Å |
| 381 | I | 41.8 | Very low | 45.7 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | trans | -68.7 | 106.8 | 174.2 | -62.1 | 175.4 | 0 | 0 | 0 | 108.2 | P379 H383 | P379-I381 PolarHBondContact O-N 2.76Å; P379-I381 VanDerWaalsContact O-N 3.12Å; I381-H383 PolarHBondContact O-N 3.32Å |
| 382 | V | 42.1 | Very low | 44.3 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | -73 | 90.4 | 178.7 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | P380 F384 | P380-V382 PolarHBondContact O-N 3.06Å; P380-V382 VanDerWaalsContact O-N 3.09Å; V382-F384 PolarHBondContact O-N 2.85Å |
| 383 | H | 38.1 | Very low | 42.7 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | trans | -68.8 | 116.3 | 178.6 | -108.1 | -88.3 | 0 | 0 | 0 | 111.5 | I381 S385 | I381-H383 PolarHBondContact O-N 3.32Å; H383-S385 VanDerWaalsContact C-N 3.35Å; H383-S385 PolarHBondContact O-N 3.23Å |
| 384 | F | 30.8 | Very low | 41.3 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -70.1 | 88.3 | 168.1 | -81.8 | -91.9 | 0 | 0 | 0 | 110.6 | V382 R386 | V382-F384 PolarHBondContact O-N 2.85Å; F384-R386 PolarHBondContact O-N 2.92Å |
| 385 | S | 36.9 | Very low | 40.1 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -68.2 | 96.5 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | H383 N387 | H383-S385 VanDerWaalsContact C-N 3.35Å; H383-S385 PolarHBondContact O-N 3.23Å; S385-N387 PolarHBondContact O-N 2.91Å |
| 386 | R | 32.2 | Very low | 38.7 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | -57.9 | 115.5 | 167.3 | -73.1 | 176.9 | 170.6 | 174.4 | -4 | 109.8 | F384 | F384-R386 PolarHBondContact O-N 2.92Š|
| 387 | N | 38.2 | Very low | 38.1 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -149 | 97.2 | 159.1 | -98.8 | -24.8 | 0 | 0 | 0 | 109.2 | S385 | S385-N387 PolarHBondContact O-N 2.91Š|
| 388 | A | 33.9 | Very low | 37 | Very low | 103 Ų | 103 | 154.3 Ų | 154.3 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -136.8 | 103.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 389 | S | 43.3 | Very low | 36.9 | Very low | 121 Ų | 121 | 161.4 Ų | 161.4 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | | | trans | -73.8 | 157.8 | 172.4 | 51.3 | 0 | 0 | 0 | 0 | 111 | | |
| 390 | N | 34.6 | Very low | 37.3 | Very low | 164 Ų | 164 | 163.3 Ų | 163.3 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -60 | 164.7 | -176 | -82.2 | -52.9 | 0 | 0 | 0 | 115.5 | | |
| 391 | A | 34.6 | Very low | 37.2 | Very low | 93 Ų | 93 | 163.8 Ų | 163.8 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | | | trans | 96.2 | 148.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 392 | Q | 35.7 | Very low | 37.1 | Very low | 199 Ų | 199 | 161 Ų | 161 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | | | trans | 63.8 | 61.1 | 175.4 | -56.7 | -169.1 | -0.5 | 0 | 0 | 117.7 | | |
| 393 | C | 29.4 | Very low | 37.4 | Very low | 123 Ų | 123 | 160.9 Ų | 160.9 | 83% | 0.831 | 84% | 0.84 | S | S | * | * | | | trans | -143.7 | 60.3 | 160.4 | -159.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 394 | Y | 31.9 | Very low | 37.9 | Very low | 207 Ų | 207 | 160.4 Ų | 160.4 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | | | trans | -159.3 | 110.2 | 168.7 | -101.9 | -81.3 | 0 | 0 | 0 | 108.6 | | |
| 395 | E | 35.5 | Very low | 38.4 | Very low | 170 Ų | 170 | 159.9 Ų | 159.9 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | S | Bend | trans | 163.9 | 40.5 | 153.2 | -97.3 | -51.4 | 129.9 | 0 | 0 | 115.3 | | |
| 396 | R | 38.1 | Very low | 38.9 | Very low | 251 Ų | 251 | 159.3 Ų | 159.3 | 95% | 0.947 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -148.9 | 11.8 | 174.8 | -122.8 | 169.4 | -162.4 | -176.7 | 4.5 | 119.6 | | |
| 397 | L | 38.2 | Very low | 39.9 | Very low | 177 Ų | 177 | 155.5 Ų | 155.5 | 93% | 0.927 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -139.1 | 33.5 | -179.3 | -105.9 | 163 | 0 | 0 | 0 | 114.2 | | |
| 398 | K | 36.5 | Very low | 39.8 | Very low | 183 Ų | 183 | 157.7 Ų | 157.7 | 80% | 0.796 | 84% | 0.84 | S | S | * | * | | | trans | -132.1 | 69 | 171.8 | -81.1 | -169.1 | 172.2 | -176.6 | 0 | 112.2 | | |
| 399 | R | 42.2 | Very low | 40.3 | Very low | 235 Ų | 235 | 160 Ų | 160 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | | | trans | -145.7 | 61.7 | 169.2 | -72.3 | -162.2 | -175.5 | -174.4 | 2.8 | 113.7 | | |
| 400 | T | 49.6 | Very low | 40.2 | Very low | 147 Ų | 147 | 158.7 Ų | 158.7 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | | | trans | -159.6 | 107.2 | 156.5 | 12.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 401 | C | 36.6 | Very low | 40.5 | Very low | 132 Ų | 132 | 159 Ų | 159 | 89% | 0.892 | 84% | 0.841 | S | S | * | * | | | trans | -106.4 | 134.8 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 110 | | |
| 402 | A | 41.7 | Very low | 40.7 | Very low | 86 Ų | 86 | 165.5 Ų | 165.5 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | | | trans | -170.9 | 109.5 | 143 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 403 | T | 47.2 | Very low | 40.8 | Very low | 121 Ų | 121 | 162.6 Ų | 162.6 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | | | trans | 62.4 | 140.1 | 139.2 | 56.1 | 0 | 0 | 0 | 0 | 123 | | |
| 404 | N | 48.4 | Very low | 41.5 | Very low | 145 Ų | 145 | 162.4 Ų | 162.4 | 78% | 0.775 | 84% | 0.838 | S | S | * | * | | | trans | 74.4 | 108.6 | 162.8 | -50 | -12 | 0 | 0 | 0 | 115.5 | | |
| 405 | E | 41.8 | Very low | 41.7 | Very low | 186 Ų | 186 | 160.9 Ų | 160.9 | 87% | 0.869 | 84% | 0.839 | S | S | * | * | | | cis | 103.1 | 140.7 | 22.6 | -164.1 | 167.6 | -123.1 | 0 | 0 | 113.9 | | |
| 406 | A | 48 | Very low | 41.7 | Very low | 97 Ų | 97 | 158.9 Ų | 158.9 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | | | trans | 66.7 | 141.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 407 | D | 51.8 | Low | 42 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | | | cis | -146.2 | 167 | -5.2 | -157.2 | -3.2 | 0 | 0 | 0 | 111.4 | | |
| 408 | Y | 36.6 | Very low | 41.7 | Very low | 213 Ų | 213 | 150.6 Ų | 150.6 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | | | trans | -111.5 | 131 | -175.3 | -110.9 | -94.7 | 0 | 0 | 0 | 112.7 | | |
| 409 | T | 45.4 | Very low | 41.9 | Very low | 150 Ų | 150 | 147 Ų | 147 | 92% | 0.92 | 83% | 0.829 | S | S | * | * | | | trans | -164.3 | 151.4 | 140.4 | 4.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 410 | A | 41.5 | Very low | 41.7 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | | | trans | -125.4 | 150.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 411 | L | 40.7 | Very low | 41.3 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -144.4 | 144.6 | 166.6 | -109.8 | 170.9 | 0 | 0 | 0 | 113.4 | | |
| 412 | R | 38.1 | Very low | 41.4 | Very low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | -67.6 | 158.6 | -157.9 | -65.4 | 164.1 | 166.6 | 153.3 | -5.6 | 117 | | |
| 413 | V | 38 | Very low | 41.2 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -94.6 | 138.8 | 153.4 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 414 | P | 44.4 | Very low | 40.7 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -104.2 | 160.3 | 167 | 36.9 | -30.2 | 0 | 0 | 0 | 113.3 | | |
| 415 | Q | 36.1 | Very low | 40.2 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -111 | 152.8 | 178 | -69.8 | -176 | -49.9 | 0 | 0 | 112.9 | | |
| 416 | T | 35 | Very low | 39.8 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | 37.1 | 128.7 | 144.7 | 59 | 0 | 0 | 0 | 0 | 122.1 | | |
| 417 | S | 43.5 | Very low | 39.3 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -162.1 | 175.5 | 130.1 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 418 | C | 32.9 | Very low | 38.7 | Very low | 123 Ų | 123 | 152 Ų | 152 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -145.7 | 142 | -168.9 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 419 | C | 41 | Very low | 38.7 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -177.1 | 145.2 | 157.8 | -93.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 420 | K | 37.9 | Very low | 38.6 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | | 59.2 | 135.2 | 64.2 | -73.8 | 179.4 | 157.5 | -78.5 | 0 | 112.9 | | |
| 421 | E | 41.1 | Very low | 38.5 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 61% | 0.607 | 79% | 0.792 | S | S | * | * | | | cis | -168.8 | 155.4 | -3.9 | -121.7 | 155.7 | 176.4 | 0 | 0 | 109.7 | | |
| 422 | Q | 37.6 | Very low | 39 | Very low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | 61.2 | 165.9 | 162.7 | -65.5 | 176.5 | -77.6 | 0 | 0 | 117 | | |
| 423 | E | 39.1 | Very low | 39.2 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | cis | -156.7 | 168.4 | -23.5 | -117.6 | 178.7 | -138 | 0 | 0 | 112.5 | | |
| 424 | C | 36.2 | Very low | 39.8 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 64% | 0.635 | 78% | 0.781 | S | S | * | * | | | trans | 46.4 | 110.7 | 147.1 | -65.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 425 | I | 37.5 | Very low | 39.9 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | | 60.4 | 146.5 | 121.7 | -58.4 | 167.3 | 0 | 0 | 0 | 120.7 | | |
| 426 | Y | 33.7 | Very low | 40.4 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | | | trans | 91.5 | 134.3 | -176.4 | -76 | -85.8 | 0 | 0 | 0 | 114.4 | | |
| 427 | S | 36.9 | Very low | 41.1 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | cis | -143.8 | 155.9 | 10.3 | -75.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 428 | R | 38.8 | Very low | 41.3 | Very low | 248 Ų | 248 | 147.2 Ų | 147.2 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | | | trans | -151.1 | 57.8 | 168.4 | -148.8 | -178.3 | -160.5 | -166.7 | 6.4 | 115.1 | | |
| 429 | L | 37.5 | Very low | 42.2 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | -142.3 | 106.4 | 170.3 | -80.6 | 177.6 | 0 | 0 | 0 | 111.7 | | |
| 430 | L | 43.3 | Very low | 43 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 95% | 0.948 | 77% | 0.768 | S | S | * | * | | | trans | -147.1 | 135.3 | 151.5 | -80.4 | -176 | 0 | 0 | 0 | 108.4 | | |
| 431 | A | 39.2 | Very low | 43.7 | Very low | 83 Ų | 83 | 148 Ų | 148 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | trans | -95.6 | -177.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 432 | P | 50.7 | Low | 44.3 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | | -137.5 | 169.7 | 96.8 | 37.9 | -26.7 | 0 | 0 | 0 | 115.2 | | |
| 433 | T | 42.9 | Very low | 44.9 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -104.4 | -158.1 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 434 | V | 49.9 | Very low | 45.5 | Very low | 127 Ų | 127 | 148 Ų | 148 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | 84 | 128.7 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 435 | E | 47.8 | Very low | 46.2 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | | | cis | -151.3 | -163.9 | -6.1 | -129.6 | -166.8 | 146.7 | 0 | 0 | 115 | | |
| 436 | K | 45.9 | Very low | 46.9 | Very low | 164 Ų | 164 | 153 Ų | 153 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | | | trans | -94.3 | 155.8 | -167.7 | -29.9 | 107.9 | 178.2 | 172.6 | 0 | 114.8 | | |
| 437 | K | 50.1 | Low | 47.4 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | | 177.8 | 143.7 | 114.2 | -100.2 | 178.4 | 177.1 | 175.2 | 0 | 117.1 | | |
| 438 | N | 48.4 | Very low | 47.9 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | 49.6 | 97.2 | 141.1 | -60.2 | 12.8 | 0 | 0 | 0 | 123.4 | | |
| 439 | Q | 51.7 | Low | 48.3 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | | 45.8 | 157.2 | 117.4 | -76.5 | -169.1 | -16.6 | 0 | 0 | 125.4 | | |
| 440 | P | 55.9 | Low | 48.8 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -112.8 | -136.4 | -172.9 | 40.3 | -19.7 | 0 | 0 | 0 | 109.9 | | |
| 441 | P | 54.6 | Low | 48.7 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | cis | -134.9 | -172.8 | -19.6 | 30 | -6 | 0 | 0 | 0 | 114.8 | | |
| 442 | L | 53.1 | Low | 49.5 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | | 158.2 | 159.6 | 119.8 | -82.7 | 176 | 0 | 0 | 0 | 113.9 | | |
| 443 | V | 50.6 | Low | 49.2 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | -137.9 | 121.3 | -179.4 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 444 | V | 51.3 | Low | 49.4 | Very low | 137 Ų | 137 | 148 Ų | 148 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -143.6 | 105.2 | 167.1 | -175.5 | 0 | 0 | 0 | 0 | 112 | | |
| 445 | R | 51.3 | Low | 49.4 | Very low | 236 Ų | 236 | 151.9 Ų | 151.9 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | | | trans | 30.4 | 160.9 | 145 | -79.1 | -167.6 | 161.7 | -167.2 | -5.9 | 124.4 | | |
| 446 | P | 50.4 | Low | 49.2 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -121.6 | 177.9 | -154.1 | 44.3 | -33.1 | 0 | 0 | 0 | 116 | | |
| 447 | S | 44.7 | Very low | 50 | Low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -165.3 | 129.6 | 142.4 | -86.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 448 | V | 48 | Very low | 49.9 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | 30.3 | 144.2 | 135.4 | -150.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 449 | V | 47.6 | Very low | 49.8 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | | | trans | 123.3 | 104.6 | 143.8 | -177.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 450 | K | 47.8 | Very low | 49.5 | Very low | 196 Ų | 196 | 139 Ų | 139 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | 55.7 | 147 | 144.2 | -63.3 | 176 | -178 | 177.8 | 0 | 123.2 | | |
| 451 | Q | 40.7 | Very low | 49 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -74.7 | 167.7 | 161.4 | -63 | 177.2 | -26.2 | 0 | 0 | 112.1 | | |
| 452 | P | 55.4 | Low | 48.5 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | | | | -141 | -168 | 105.9 | 40.5 | -27.7 | 0 | 0 | 0 | 114.8 | | |
| 453 | E | 46.2 | Very low | 48.3 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 65% | 0.654 | 80% | 0.801 | S | S | * | * | | | trans | -97.3 | 178.6 | -164.7 | -36.6 | 164.9 | 80.3 | 0 | 0 | 116.6 | | |
| 454 | K | 46.1 | Very low | 48.8 | Very low | 154 Ų | 154 | 138 Ų | 138 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | 66.5 | 108.2 | 142.6 | -75.1 | 161 | -178.5 | 149.4 | 0 | 120.2 | | |
| 455 | K | 50.1 | Low | 48.8 | Very low | 209 Ų | 209 | 136.1 Ų | 136.1 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | | 176.2 | 164.4 | 103.7 | -98.1 | 162.8 | -176.3 | 178.3 | 0 | 116.1 | | |
| 456 | L | 43.7 | Very low | 48.9 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -74 | 158.7 | 173.7 | -117.6 | 69.4 | 0 | 0 | 0 | 112.9 | | |
| 457 | P | 62.2 | Low | 48.9 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | -130.9 | 160.6 | 91.2 | 36.2 | -26.3 | 0 | 0 | 0 | 113.2 | | |
| 458 | T | 48.6 | Very low | 49.1 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | cis | 104 | 119.9 | 20.6 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 459 | G | 46 | Very low | 49 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | 91.5 | 144 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 460 | G | 44.8 | Very low | 48.8 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | | | cis | 173.8 | 166.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 461 | G | 45.2 | Very low | 48.5 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | cis | 174.4 | 178.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 462 | G | 45.2 | Very low | 48.7 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | 86.7 | 158.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 463 | H | 48.6 | Very low | 48.1 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | cis | 172.7 | 149 | -12.7 | -134.5 | -122.2 | 0 | 0 | 0 | 103.5 | | |
| 464 | M | 60.8 | Low | 48.2 | Very low | 150 Ų | 150 | 136 Ų | 136 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | cis | -164.7 | 172.4 | -21 | -107.3 | -84.1 | 106.5 | 0 | 0 | 106.4 | | |
| 465 | P | 51.7 | Low | 48.3 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | | | trans | -109 | -172.2 | -164.9 | 43.1 | -37.7 | 0 | 0 | 0 | 113.7 | | |
| 466 | K | 52.5 | Low | 48 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | | | trans | -178.1 | 149.3 | 131 | -108.5 | 165.1 | -173.6 | 176.4 | 0 | 117.4 | | |
| 467 | M | 51.5 | Low | 48.2 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | | | trans | 54.8 | 134.1 | 156.8 | -49 | -58.4 | -171.7 | 0 | 0 | 118.2 | | |
| 468 | M | 48.5 | Very low | 47.4 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | cis | 63.2 | 118.9 | 44.3 | -67.1 | -160.2 | 176.1 | 0 | 0 | 116.2 | | |
| 469 | F | 45.9 | Very low | 47.2 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | | | | 177.2 | 141 | 107.9 | -111 | -85.1 | 0 | 0 | 0 | 114.8 | | |
| 470 | K | 44.4 | Very low | 47.2 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | 37.7 | 154.5 | 152.1 | -83.4 | 176.5 | -177.9 | 177.6 | 0 | 124.2 | | |
| 471 | A | 40.8 | Very low | 47.3 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | -107.3 | 173.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 472 | V | 44 | Very low | 47.7 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | -169.3 | 167.3 | 149.1 | 133.9 | 0 | 0 | 0 | 0 | 111 | | |
| 473 | Q | 44.2 | Very low | 47.9 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -80.5 | 173.4 | -168.6 | -53.2 | 127.8 | -78 | 0 | 0 | 115.9 | | |
| 474 | N | 48.6 | Very low | 47.9 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | | 172.4 | 128.7 | 127.1 | -81.7 | -16.2 | 0 | 0 | 0 | 110.3 | | |
| 475 | H | 48.1 | Very low | 47.4 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | | 63 | 139.2 | 88.6 | -65.8 | -51.2 | 0 | 0 | 0 | 115.3 | | |
| 476 | S | 43.7 | Very low | 47.5 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | cis | -174.7 | 162 | -3.1 | 47.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 477 | V | 47.1 | Very low | 47.4 | Very low | 120 Ų | 120 | 136 Ų | 136 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | 59.4 | 150.1 | 150 | -65.7 | 0 | 0 | 0 | 0 | 125.6 | | |
| 478 | N | 44.4 | Very low | 47.2 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | 76.1 | 152 | 150.1 | -67.7 | -17.2 | 0 | 0 | 0 | 120.6 | | |
| 479 | A | 46 | Very low | 47.2 | Very low | 85 Ų | 85 | 137.1 Ų | 137.1 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | cis | -172.5 | 172.3 | -23.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 480 | A | 45.8 | Very low | 47.5 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 69.5 | 157.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 481 | S | 46.7 | Very low | 47.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -170.6 | 175 | -24.4 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 482 | K | 52.6 | Low | 48.3 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | 78.8 | 123.7 | 175.8 | -59.3 | 179.5 | -178.7 | 178.9 | 0 | 115 | | |
| 483 | Q | 51.2 | Low | 48.8 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | | 70.2 | 139.3 | 57.9 | -67.6 | 176.1 | -13.2 | 0 | 0 | 113.3 | | |
| 484 | A | 47.6 | Very low | 49.2 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | cis | -166.9 | 150.6 | -18.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 485 | G | 51.3 | Low | 49.7 | Very low | 77 Ų | 77 | 144.7 Ų | 144.7 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -166.8 | 138.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 486 | K | 52.1 | Low | 49.6 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | -133.7 | 167 | -176.8 | -77.9 | -173.3 | 176 | -177.5 | 0 | 111.3 | | |
| 487 | S | 51.8 | Low | 50.1 | Low | 124 Ų | 124 | 147 Ų | 147 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | trans | 70.3 | 138.5 | -177.5 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 488 | G | 45.6 | Very low | 50.7 | Low | 79 Ų | 79 | 150.6 Ų | 150.6 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | | | cis | 117.8 | 108.1 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 489 | R | 50.5 | Low | 51.7 | Low | 253 Ų | 253 | 149.4 Ų | 149.4 | 96% | 0.955 | 83% | 0.825 | S | S | * | * | | | trans | -147.2 | 147.9 | 165.2 | -165.5 | 168.4 | -175.2 | 169.5 | 1.8 | 109.3 | | |
| 490 | Q | 51.2 | Low | 52.4 | Low | 190 Ų | 190 | 150.9 Ų | 150.9 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | | | trans | -77.6 | 163.5 | -169.5 | -70.8 | 168.8 | -84.2 | 0 | 0 | 114.6 | | |
| 491 | E | 46.1 | Very low | 53 | Low | 175 Ų | 175 | 154.6 Ų | 154.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -65.9 | 159 | 170.2 | -53.9 | 161.9 | 112.2 | 0 | 0 | 112.6 | | |
| 492 | H | 55.8 | Low | 54 | Low | 175 Ų | 175 | 155.5 Ų | 155.5 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | | | trans | -157.9 | 112.4 | 144.8 | -108.9 | -73.5 | 0 | 0 | 0 | 109.2 | | |
| 493 | P | 54.8 | Low | 54.1 | Low | 112 Ų | 112 | 155.2 Ų | 155.2 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | | | trans | -86 | 134.1 | 173.1 | 32.6 | -31.3 | 0 | 0 | 0 | 110.9 | | |
| 494 | F | 51.8 | Low | 53.9 | Low | 192 Ų | 192 | 156.9 Ų | 156.9 | 84% | 0.842 | 84% | 0.838 | S | S | * | * | | | trans | -122.9 | 122.1 | 164.4 | -100.2 | -87.3 | 0 | 0 | 0 | 109.3 | | |
| 495 | Q | 60.3 | Low | 54.4 | Low | 178 Ų | 178 | 155.6 Ų | 155.6 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | | | trans | -101.4 | -169.5 | 166.3 | -54.7 | -170.4 | -15.1 | 0 | 0 | 109.5 | | |
| 496 | P | 45.5 | Very low | 54.4 | Low | 111 Ų | 111 | 158.1 Ų | 158.1 | 72% | 0.721 | 83% | 0.83 | S | S | * | * | | | | -122.4 | 158.5 | -100.9 | 34 | -15.7 | 0 | 0 | 0 | 113.5 | | |
| 497 | M | 54.6 | Low | 54.2 | Low | 193 Ų | 193 | 152.9 Ų | 152.9 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 134.9 | 166.8 | -78.3 | -167.8 | 163.1 | 0 | 0 | 111.6 | | |
| 498 | K | 60.1 | Low | 54.1 | Low | 196 Ų | 196 | 155 Ų | 155 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 145.6 | 175.4 | -58.1 | 176.6 | -179.8 | 179.9 | 0 | 110.4 | | |
| 499 | P | 65.1 | Low | 54.1 | Low | 129 Ų | 129 | 154.1 Ų | 154.1 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 139.4 | 152.1 | -7.4 | 25 | 0 | 0 | 0 | 109.5 | | |
| 500 | S | 59.7 | Low | 54 | Low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94 | 146.6 | 170.7 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 501 | E | 59.7 | Low | 53.5 | Low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 148.7 | 175.2 | -59.9 | 174.6 | 119.3 | 0 | 0 | 112.2 | | |
| 502 | P | 66.6 | Low | 53.4 | Low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78 | 139.9 | 160.3 | 32.9 | -31.6 | 0 | 0 | 0 | 110.4 | | |
| 503 | L | 55.6 | Low | 52.7 | Low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66 | 154.9 | 177.2 | -96.9 | 69.9 | 0 | 0 | 0 | 112.6 | | |
| 504 | R | 46.7 | Very low | 52.3 | Low | 216 Ų | 216 | 149.2 Ų | 149.2 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 142.1 | 157.9 | -70.6 | -178.3 | 173.3 | -167.3 | -1.5 | 110.5 | | |
| 505 | G | 57.8 | Low | 51.8 | Low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -117.7 | 125.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 506 | D | 50.3 | Low | 50.9 | Low | 129 Ų | 129 | 145.6 Ų | 145.6 | 69% | 0.69 | 82% | 0.815 | S | S | * | * | | | trans | -89.7 | 159.7 | 179.5 | -65.4 | -69.5 | 0 | 0 | 0 | 111.6 | | |
| 507 | A | 49 | Very low | 50.8 | Low | 94 Ų | 94 | 150.3 Ų | 150.3 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | | | trans | 48.3 | 124.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 508 | D | 49.8 | Very low | 50.4 | Low | 169 Ų | 169 | 149.4 Ų | 149.4 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | | | | -150.2 | 166.5 | 72.7 | -132.6 | -30.9 | 0 | 0 | 0 | 114.4 | | |
| 509 | G | 44.5 | Very low | 49.9 | Very low | 61 Ų | 61 | 149.7 Ų | 149.7 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | | | trans | -94 | 155.4 | -169 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 510 | S | 48.2 | Very low | 49.2 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -159.9 | 92.7 | 165.1 | -73.4 | 0 | 0 | 0 | 0 | 111 | | |
| 511 | D | 40.8 | Very low | 49.1 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -70.4 | 128.3 | 169.4 | -101.1 | -44.7 | 0 | 0 | 0 | 110.7 | | |
| 512 | L | 45.7 | Very low | 48.8 | Very low | 164 Ų | 164 | 153 Ų | 153 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -133.5 | 92.7 | 168.6 | -81.6 | 177.5 | 0 | 0 | 0 | 111.5 | L514 | L512-L514 PolarHBondContact O-N 3.25Š|
| 513 | F | 40.6 | Very low | 48.3 | Very low | 187 Ų | 187 | 154 Ų | 154 | 82% | 0.82 | 79% | 0.794 | S | S | * | * | | | trans | -57.6 | 124.7 | 165 | -88 | -116.9 | 0 | 0 | 0 | 111.3 | | |
| 514 | L | 45.1 | Very low | 48.5 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 94% | 0.942 | 78% | 0.784 | S | S | * | * | | | trans | -177.6 | 126.1 | 155.2 | -100.9 | 149.9 | 0 | 0 | 0 | 108.6 | L512 | L512-L514 PolarHBondContact O-N 3.25Š|
| 515 | G | 42.5 | Very low | 48.9 | Very low | 63 Ų | 63 | 151.7 Ų | 151.7 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | cis | 169.5 | 107.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R517 | G515-R517 PolarHBondContact O-N 3.23Å; G515-R517 VanDerWaalsContact O-N 3.09Å |
| 516 | Y | 40.2 | Very low | 49.1 | Very low | 231 Ų | 231 | 157.4 Ų | 157.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -63.8 | 109.8 | -175.5 | -95.5 | -93.7 | 0 | 0 | 0 | 111.8 | | |
| 517 | R | 45.5 | Very low | 49.3 | Very low | 209 Ų | 209 | 160.7 Ų | 160.7 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | | | trans | -103.9 | 110 | 166.2 | -81.3 | -171.6 | 167.1 | -175.4 | -3.7 | 110.4 | G515 Y519 | G515-R517 PolarHBondContact O-N 3.23Å; G515-R517 VanDerWaalsContact O-N 3.09Å; R517-Y519 HydrophobicContact CB-CE2 4.47Å |
| 518 | H | 44.7 | Very low | 50.1 | Low | 174 Ų | 174 | 162.9 Ų | 162.9 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | -62.9 | 137 | 161.1 | -80.8 | 56.9 | 0 | 0 | 0 | 109.3 | | |
| 519 | Y | 49.7 | Very low | 50.2 | Low | 203 Ų | 203 | 164.6 Ų | 164.6 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | | | trans | -106.7 | 115.4 | 169.1 | -88.2 | -96.2 | 0 | 0 | 0 | 108.9 | R517 | R517-Y519 HydrophobicContact CB-CE2 4.47Š|
| 520 | H | 51.4 | Low | 50.5 | Low | 169 Ų | 169 | 169.8 Ų | 169.8 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | | | trans | -87 | 117.4 | 165.4 | -105.3 | -88 | 0 | 0 | 0 | 108.7 | H522 | H520-H522 PolarHBondContact O-N 3.32Š|
| 521 | E | 56.1 | Low | 50.6 | Low | 168 Ų | 168 | 172.4 Ų | 172.4 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -80.7 | 111.2 | 168.3 | -71.8 | -166.1 | 117.1 | 0 | 0 | 110.1 | H523 | E521-H523 PolarHBondContact O-N 3.33Š|
| 522 | H | 55.3 | Low | 51.2 | Low | 155 Ų | 155 | 173.6 Ų | 173.6 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | | | trans | -80.8 | 102.2 | 173 | -98.8 | -95.9 | 0 | 0 | 0 | 110.7 | H520 H524 | H520-H522 PolarHBondContact O-N 3.32Å; H522-H524 PolarHBondContact O-N 3.25Å; H522-H524 VanDerWaalsContact O-N 3.1Å |
| 523 | H | 55.6 | Low | 51.5 | Low | 147 Ų | 147 | 174.2 Ų | 174.2 | 68% | 0.681 | 81% | 0.81 | S | S | * | * | | | trans | -74.2 | 93.9 | 170.6 | -81.3 | -92.4 | 0 | 0 | 0 | 111.7 | E521 Y525 | E521-H523 PolarHBondContact O-N 3.33Å; H523-Y525 HydrophobicContact CB-CD2 4.45Å; H523-Y525 HydrophobicContact CB-CE2 4.44Å; H523-Y525 PolarHBondContact O-N 3.35Å |
| 524 | H | 59.3 | Low | 52.2 | Low | 148 Ų | 148 | 173.4 Ų | 173.4 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | | | trans | -77 | 98.6 | 166.4 | -89.3 | -91.4 | 0 | 0 | 0 | 111.2 | H522 Y526 | H522-H524 PolarHBondContact O-N 3.25Å; H522-H524 VanDerWaalsContact O-N 3.1Å; H524-Y526 PolarHBondContact O-N 3.32Å |
| 525 | Y | 54.3 | Low | 52.6 | Low | 186 Ų | 186 | 172.9 Ų | 172.9 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | | | trans | -79.3 | 110.8 | 163.5 | -85.9 | -92.2 | 0 | 0 | 0 | 110.3 | H523 Y527 | H523-Y525 HydrophobicContact CB-CD2 4.45Å; H523-Y525 HydrophobicContact CB-CE2 4.44Å; H523-Y525 PolarHBondContact O-N 3.35Å; Y525-Y527 HydrophobicContact CD1-CE2 4.3Å |
| 526 | Y | 63.2 | Low | 53.4 | Low | 197 Ų | 197 | 180.8 Ų | 180.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -91.4 | 102.1 | 161.6 | -91.9 | -86.7 | 0 | 0 | 0 | 109.5 | H524 | H524-Y526 PolarHBondContact O-N 3.32Š|
| 527 | Y | 54.5 | Low | 54.4 | Low | 198 Ų | 198 | 176.9 Ų | 176.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -88 | 122.8 | 155.3 | -89 | -88.4 | 0 | 0 | 0 | 108.1 | Y525 | Y525-Y527 HydrophobicContact CD1-CE2 4.3Š|
| 528 | N | 64.9 | Low | 55.1 | Low | 140 Ų | 140 | 174.3 Ų | 174.3 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -100.4 | 140.7 | 160.2 | -76.7 | -8.2 | 0 | 0 | 0 | 108.4 | | |
| 529 | C | 52.5 | Low | 56.1 | Low | 206 Ų | 206 | 174.3 Ų | 174.3 | 100% | 1.392 | 81% | 0.806 | S | S | * | * | | | trans | -80.3 | 0 | 166.6 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | | |