| 1 | M | 42.1 | Very low | 59.3 | Low | 245 Ų | 245 | 136.5 Ų | 136.5 | 100% | 1.207 | 73% | 0.729 | S | S | * | * | | | | 0 | 141.3 | 0 | -65.5 | 180 | 177.3 | 0 | 0 | 108.1 | | |
| 2 | L | 46.2 | Very low | 58.5 | Low | 140 Ų | 140 | 132.3 Ų | 132.3 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 119 | 170.8 | -72.2 | 168.7 | 0 | 0 | 0 | 108 | R4 | L2-R4 PolarHBondContact O-N 3.45Š|
| 3 | G | 54.7 | Low | 58.4 | Low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59 | 134.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 4 | R | 64.6 | Low | 58.2 | Low | 221 Ų | 221 | 142.3 Ų | 142.3 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 137 | 173.1 | -69.5 | -176.2 | 175.5 | -151.6 | -2.2 | 108.2 | L2 | L2-R4 PolarHBondContact O-N 3.45Š|
| 5 | P | 57.5 | Low | 58.2 | Low | 86 Ų | 86 | 139.2 Ų | 139.2 | 56% | 0.558 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 149.5 | 170.1 | 27.2 | -34.2 | 0 | 0 | 0 | 109.7 | K7 | P5-K7 PolarHBondContact O-N 2.73Š|
| 6 | P | 61.5 | Low | 58.5 | Low | 85 Ų | 85 | 135.6 Ų | 135.6 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58 | 132.9 | 175.2 | 24.7 | -33.3 | 0 | 0 | 0 | 109.9 | P10 | P6-P10 HydrophobicContact CB-CG 4.2Å; P6-P10 HydrophobicContact CG-CG 3.86Å |
| 7 | K | 71.8 | Confident | 58.3 | Low | 203 Ų | 203 | 134.2 Ų | 134.2 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -75 | -24.9 | -176.5 | -79.1 | -174.6 | 172.7 | -174.6 | 0 | 113.9 | P5 | P5-K7 PolarHBondContact O-N 2.73Š|
| 8 | A | 69.3 | Low | 57.9 | Low | 71 Ų | 71 | 133.1 Ų | 133.1 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -98.9 | 144.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | P10 | A8-P10 WeakPolarHBondContact O-CD 3.4Å; A8-P10 VanDerWaalsContact O-N 3.11Å |
| 9 | T | 63 | Low | 57.9 | Low | 131 Ų | 131 | 131.9 Ų | 131.9 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | | | trans | -53.3 | 114 | 160.3 | 47.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 10 | P | 56.5 | Low | 57.7 | Low | 39 Ų | 39 | 135.3 Ų | 135.3 | 25% | 0.253 | 70% | 0.696 | S | S | . | * | | | trans | -62.2 | 147.7 | 178.4 | -21.8 | 34.5 | 0 | 0 | 0 | 109.9 | P6 A8 F12 | P6-P10 HydrophobicContact CB-CG 4.2Å; P6-P10 HydrophobicContact CG-CG 3.86Å; A8-P10 WeakPolarHBondContact O-CD 3.4Å; A8-P10 VanDerWaalsContact O-N 3.11Å; P10-F12 HydrophobicContact CB-CD1 3.84Å; P10-F12 HydrophobicContact CB-CD2 4.3Å; P10-F12 HydrophobicContact CB-CE1 3.45Å; P10-F12 VanDerWaalsContact CB-CE1 3.45Å; P10-F12 HydrophobicContact CB-CE2 3.98Å; P10-F12 HydrophobicContact CB-CG 4.26Å; P10-F12 HydrophobicContact CB-CZ 3.55Å; P10-F12 VanDerWaalsContact CD-CZ 3.47Å; P10-F12 HydrophobicContact CG-CE1 3.66Å; P10-F12 HydrophobicContact CG-CE2 3.92Å; P10-F12 HydrophobicContact CG-CZ 3.33Å; P10-F12 WeakPolarHBondContact O-CD2 3.45Å; P10-F12 PolarHBondContact O-N 3.18Å |
| 11 | K | 65.7 | Low | 57.5 | Low | 214 Ų | 214 | 133.8 Ų | 133.8 | 93% | 0.93 | 70% | 0.697 | S | S | * | * | | | trans | -75.4 | 79.5 | 172.7 | -67.5 | -179 | 179.4 | -179.6 | 0 | 107.9 | E13 | K11-E13 PolarHBondContact O-N 3.28Š|
| 12 | F | 49.7 | Very low | 58.1 | Low | 86 Ų | 86 | 133.5 Ų | 133.5 | 38% | 0.377 | 68% | 0.684 | S | S | . | * | | | trans | -74.1 | 116.1 | -177.3 | -61.7 | -62.5 | 0 | 0 | 0 | 110.8 | P10 V185 Y205 | P10-F12 HydrophobicContact CB-CD1 3.84Å; P10-F12 HydrophobicContact CB-CD2 4.3Å; P10-F12 HydrophobicContact CB-CE1 3.45Å; P10-F12 VanDerWaalsContact CB-CE1 3.45Å; P10-F12 HydrophobicContact CB-CE2 3.98Å; P10-F12 HydrophobicContact CB-CG 4.26Å; P10-F12 HydrophobicContact CB-CZ 3.55Å; P10-F12 VanDerWaalsContact CD-CZ 3.47Å; P10-F12 HydrophobicContact CG-CE1 3.66Å; P10-F12 HydrophobicContact CG-CE2 3.92Å; P10-F12 HydrophobicContact CG-CZ 3.33Å; P10-F12 WeakPolarHBondContact O-CD2 3.45Å; P10-F12 PolarHBondContact O-N 3.18Å; F12-V185 HydrophobicContact CD1-CG1 3.36Å; F12-V185 HydrophobicContact CD2-CG1 4.25Å; F12-V185 HydrophobicContact CE1-CG1 3.18Å; F12-V185 HydrophobicContact CE2-CG1 4.09Å; F12-V185 HydrophobicContact CG-CG1 3.9Å; F12-V185 HydrophobicContact CZ-CG1 3.55Å; F12-Y205 HydrophobicContact CE2-CE1 4.34Å; F12-Y205 HydrophobicContact CZ-CE1 4.41Å |
| 13 | E | 57.1 | Low | 58.1 | Low | 173 Ų | 173 | 129.3 Ų | 129.3 | 81% | 0.808 | 68% | 0.675 | S | S | * | * | | | trans | -64.5 | 131.4 | 150.8 | -66.3 | -178.1 | 161.3 | 0 | 0 | 107.7 | K11 I15 | K11-E13 PolarHBondContact O-N 3.28Å; E13-I15 VanDerWaalsContact C-N 3.32Å; E13-I15 PolarHBondContact O-N 2.85Å |
| 14 | R | 54.6 | Low | 57.8 | Low | 232 Ų | 232 | 133.3 Ų | 133.3 | 88% | 0.875 | 68% | 0.681 | S | S | * | * | | | trans | -68.3 | 93.7 | 173.1 | -85.8 | -178.2 | 168.9 | 159.6 | -3.4 | 108.7 | S16 | R14-S16 VanDerWaalsContact C-N 3.32Å; R14-S16 PolarHBondContact O-N 3.43Å |
| 15 | I | 59.5 | Low | 57.2 | Low | 96 Ų | 96 | 129.3 Ų | 129.3 | 49% | 0.492 | 68% | 0.681 | S | S | . | * | | | trans | -69.1 | 95.2 | 168.4 | -59.6 | 165.1 | 0 | 0 | 0 | 106.7 | E13 V17 K186 | E13-I15 VanDerWaalsContact C-N 3.32Å; E13-I15 PolarHBondContact O-N 2.85Å; I15-V17 HydrophobicContact CG2-CG2 4.37Å; I15-V17 WeakPolarHBondContact O-CG2 3.49Å; I15-V17 PolarHBondContact O-N 3.12Å; I15-K186 HydrophobicContact CD1-CB 3.89Å |
| 16 | S | 61.8 | Low | 56.8 | Low | 82 Ų | 82 | 130.3 Ų | 130.3 | 57% | 0.573 | 69% | 0.69 | S | S | * | * | | | trans | -58.8 | 105.4 | 164.2 | 53.6 | 0 | 0 | 0 | 0 | 107.7 | R14 F18 | R14-S16 VanDerWaalsContact C-N 3.32Å; R14-S16 PolarHBondContact O-N 3.43Å; S16-F18 PolarHBondContact O-N 2.86Å |
| 17 | V | 55.5 | Low | 56.3 | Low | 111 Ų | 111 | 132 Ų | 132 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | | | trans | -75.5 | 66.8 | 177.8 | -168.9 | 0 | 0 | 0 | 0 | 109 | I15 | I15-V17 HydrophobicContact CG2-CG2 4.37Å; I15-V17 WeakPolarHBondContact O-CG2 3.49Å; I15-V17 PolarHBondContact O-N 3.12Å |
| 18 | F | 52 | Low | 55.2 | Low | 114 Ų | 114 | 128 Ų | 128 | 50% | 0.5 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -63 | 129 | 154.6 | -73.6 | -77.3 | 0 | 0 | 0 | 106.6 | S16 K20 | S16-F18 PolarHBondContact O-N 2.86Å; F18-K20 PolarHBondContact O-N 2.93Å |
| 19 | P | 57.7 | Low | 54.6 | Low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.4 | 165.1 | 26.1 | -31.9 | 0 | 0 | 0 | 106.9 | S21 | P19-S21 PolarHBondContact O-N 2.92Š|
| 20 | K | 53.6 | Low | 54.1 | Low | 199 Ų | 199 | 131.7 Ų | 131.7 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53 | 122.1 | 165.6 | -87 | -177.1 | 170.7 | -177.2 | 0 | 106.4 | F18 Y22 | F18-K20 PolarHBondContact O-N 2.93Å; K20-Y22 PolarHBondContact O-N 3.46Å |
| 21 | S | 52.3 | Low | 53.8 | Low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 128.9 | 176.5 | 38.1 | 0 | 0 | 0 | 0 | 108.8 | P19 G23 | P19-S21 PolarHBondContact O-N 2.92Å; S21-G23 PolarHBondContact O-N 3.08Å |
| 22 | Y | 54.7 | Low | 53.5 | Low | 239 Ų | 239 | 135 Ų | 135 | 94% | 0.937 | 74% | 0.74 | S | S | * | * | | | trans | -69 | 102.2 | 172.8 | -102.2 | -94.5 | 0 | 0 | 0 | 107.7 | K20 | K20-Y22 PolarHBondContact O-N 3.46Š|
| 23 | G | 46.9 | Very low | 53.7 | Low | 52 Ų | 52 | 140.2 Ų | 140.2 | 54% | 0.536 | 76% | 0.762 | S | S | . | * | | | trans | 39.6 | 103.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S21 V25 | S21-G23 PolarHBondContact O-N 3.08Å; G23-V25 WeakPolarHBondContact O-CG2 3.46Å; G23-V25 PolarHBondContact O-N 3.35Å |
| 24 | D | 49.5 | Very low | 53.7 | Low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | -54 | 89.7 | 146.4 | -70.6 | -61.4 | 0 | 0 | 0 | 109 | S26 | D24-S26 PolarHBondContact O-N 3.3Š|
| 25 | V | 51.3 | Low | 53.8 | Low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | | | trans | -73.2 | 88.1 | 165.7 | -140.9 | 0 | 0 | 0 | 0 | 105.4 | G23 S27 | G23-V25 WeakPolarHBondContact O-CG2 3.46Å; G23-V25 PolarHBondContact O-N 3.35Å; V25-S27 PolarHBondContact O-N 2.82Å |
| 26 | S | 48.8 | Very low | 53.4 | Low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -48.9 | 108.2 | -178.2 | -71.2 | 0 | 0 | 0 | 0 | 111 | D24 S28 | D24-S26 PolarHBondContact O-N 3.3Å; S26-S28 VanDerWaalsContact C-N 3.29Å; S26-S28 PolarHBondContact O-N 2.99Å |
| 27 | S | 51.7 | Low | 53 | Low | 121 Ų | 121 | 143.2 Ų | 143.2 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -61.4 | 92.6 | 166.5 | -62.4 | 0 | 0 | 0 | 0 | 108.3 | V25 S29 | V25-S27 PolarHBondContact O-N 2.82Å; S27-S29 PolarHBondContact O-N 2.76Å |
| 28 | S | 49.1 | Very low | 53.1 | Low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61 | 126.3 | -179.1 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | S26 | S26-S28 VanDerWaalsContact C-N 3.29Å; S26-S28 PolarHBondContact O-N 2.99Å |
| 29 | S | 56.5 | Low | 53.2 | Low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 146.8 | -171.4 | 37.7 | 0 | 0 | 0 | 0 | 112.6 | S27 | S27-S29 PolarHBondContact O-N 2.76Š|
| 30 | L | 52.1 | Low | 53.2 | Low | 167 Ų | 167 | 150.4 Ų | 150.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 140.1 | 166.8 | -75.1 | 154.6 | 0 | 0 | 0 | 110.7 | E32 | L30-E32 PolarHBondContact O-N 3.4Š|
| 31 | P | 49.4 | Very low | 53.4 | Low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -83.3 | 115.4 | -179.8 | 31.7 | -32.7 | 0 | 0 | 0 | 111.5 | | |
| 32 | E | 60.1 | Low | 53.6 | Low | 197 Ų | 197 | 151 Ų | 151 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -102.6 | 142.7 | 162.5 | -165.8 | 162.5 | -157.4 | 0 | 0 | 110.4 | L30 | L30-E32 PolarHBondContact O-N 3.4Š|
| 33 | K | 54.5 | Low | 53.6 | Low | 195 Ų | 195 | 144.5 Ų | 144.5 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -91.4 | 124.2 | -160.1 | -52.1 | 163.3 | -176 | 170.2 | 0 | 112 | | |
| 34 | V | 56.9 | Low | 54.5 | Low | 143 Ų | 143 | 149.6 Ų | 149.6 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -147.4 | 134.3 | 147.3 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 35 | D | 57.1 | Low | 55.3 | Low | 146 Ų | 146 | 151.7 Ų | 151.7 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | | | trans | -80.9 | 141 | -177.5 | -48.8 | -85.1 | 0 | 0 | 0 | 113.3 | | |
| 36 | Q | 50.6 | Low | 56.3 | Low | 184 Ų | 184 | 153.8 Ų | 153.8 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | | -177.9 | 131.8 | 117.9 | -98.5 | 173.4 | 26 | 0 | 0 | 114.4 | | |
| 37 | E | 53.7 | Low | 57.4 | Low | 174 Ų | 174 | 157.2 Ų | 157.2 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | | | trans | -20.9 | 138.3 | 161.9 | -42.2 | 177.9 | 107 | 0 | 0 | 116.9 | | |
| 38 | T | 57.1 | Low | 58.1 | Low | 114 Ų | 114 | 161.7 Ų | 161.7 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | | | | -173.1 | 151.3 | 60.9 | 33.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 39 | K | 54.2 | Low | 59.3 | Low | 188 Ų | 188 | 161.2 Ų | 161.2 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | 58.1 | 103.3 | 150.1 | -69.1 | 169.3 | -178.7 | 165.8 | 0 | 119 | | |
| 40 | K | 57.2 | Low | 59.9 | Low | 186 Ų | 186 | 162.7 Ų | 162.7 | 81% | 0.809 | 81% | 0.811 | S | S | * | * | | | | 81.5 | 99.4 | 66.8 | -171.4 | -172.9 | -168.1 | 171.4 | 0 | 114.3 | | |
| 41 | K | 57.2 | Low | 60.7 | Low | 177 Ų | 177 | 162.6 Ų | 162.6 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | | 179.1 | 129.8 | 115.1 | -95.5 | 176.8 | -175.3 | -177.1 | 0 | 112.7 | | |
| 42 | N | 57.5 | Low | 61.7 | Low | 136 Ų | 136 | 165.1 Ų | 165.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 43.8 | 119 | 143.6 | -45.8 | 13.5 | 0 | 0 | 0 | 118.5 | | |
| 43 | S | 54.4 | Low | 61.8 | Low | 104 Ų | 104 | 164.3 Ų | 164.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | 65.6 | 92.8 | 49.7 | 84.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 44 | D | 66.8 | Low | 62.2 | Low | 158 Ų | 158 | 163.6 Ų | 163.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | -134.4 | 131.1 | 147.7 | -99.5 | -40.6 | 0 | 0 | 0 | 106.9 | | |
| 45 | E | 64.5 | Low | 62.4 | Low | 195 Ų | 195 | 162.3 Ų | 162.3 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -101.8 | 105.1 | 178.2 | -66.8 | -179.5 | 141.9 | 0 | 0 | 107.6 | E47 | E45-E47 PolarHBondContact O-N 2.92Š|
| 46 | E | 72.5 | Confident | 62.8 | Low | 181 Ų | 181 | 163.9 Ų | 163.9 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -84.3 | 108.8 | 173.3 | -68.2 | -83.9 | 163.5 | 0 | 0 | 108.4 | Y48 | E46-Y48 PolarHBondContact O-N 2.97Š|
| 47 | E | 71.7 | Confident | 63.6 | Low | 179 Ų | 179 | 159.4 Ų | 159.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | -66.5 | 121.2 | -175.9 | -170.7 | 172.4 | -162.3 | 0 | 0 | 111.1 | E45 V49 | E45-E47 PolarHBondContact O-N 2.92Å; E47-V49 PolarHBondContact O-N 2.72Å; E47-V49 VanDerWaalsContact O-N 3.08Å |
| 48 | Y | 66.7 | Low | 64.1 | Low | 216 Ų | 216 | 157 Ų | 157 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | trans | -73.6 | 101.4 | 179.5 | -126.2 | -97.8 | 0 | 0 | 0 | 109.8 | E46 D50 | E46-Y48 PolarHBondContact O-N 2.97Å; Y48-D50 PolarHBondContact O-N 2.87Å |
| 49 | V | 74 | Confident | 64.6 | Low | 106 Ų | 106 | 159.3 Ų | 159.3 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | | | trans | -80.7 | 109 | 172.2 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | E47 E51 | E47-V49 PolarHBondContact O-N 2.72Å; E47-V49 VanDerWaalsContact O-N 3.08Å; V49-E51 VanDerWaalsContact C-N 3.3Å; V49-E51 HydrophobicContact CG1-CG 3.99Å; V49-E51 PolarHBondContact O-N 2.89Å |
| 50 | D | 70 | Confident | 64.8 | Low | 146 Ų | 146 | 157.8 Ų | 157.8 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | trans | -67.9 | 86.8 | 168 | -79.4 | -39.2 | 0 | 0 | 0 | 109.6 | Y48 Q52 | Y48-D50 PolarHBondContact O-N 2.87Å; D50-Q52 VanDerWaalsContact C-N 3.25Å; D50-Q52 PolarHBondContact O-N 3.16Å |
| 51 | E | 69.5 | Low | 65 | Low | 165 Ų | 165 | 156.4 Ų | 156.4 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | trans | -70.6 | 87.3 | 166.9 | -70 | -162.8 | 150 | 0 | 0 | 109.5 | V49 E53 | V49-E51 VanDerWaalsContact C-N 3.3Å; V49-E51 HydrophobicContact CG1-CG 3.99Å; V49-E51 PolarHBondContact O-N 2.89Å; E51-E53 PolarHBondContact O-N 3.37Å |
| 52 | Q | 69 | Low | 65 | Low | 177 Ų | 177 | 154.3 Ų | 154.3 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -65.3 | 81.3 | 169.7 | -175.6 | 179.1 | -3.9 | 0 | 0 | 109.6 | D50 E54 | D50-Q52 VanDerWaalsContact C-N 3.25Å; D50-Q52 PolarHBondContact O-N 3.16Å; Q52-E54 PolarHBondContact O-N 3.3Å |
| 53 | E | 62.8 | Low | 64.9 | Low | 180 Ų | 180 | 150.8 Ų | 150.8 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -59.2 | 110.4 | 172.9 | -80.1 | -166.5 | 138.6 | 0 | 0 | 110.1 | E51 S55 | E51-E53 PolarHBondContact O-N 3.37Å; E53-S55 PolarHBondContact O-N 3.46Å; E53-S55 VanDerWaalsContact O-N 3.16Å |
| 54 | E | 62.9 | Low | 64.9 | Low | 181 Ų | 181 | 157.6 Ų | 157.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -62.8 | 113.9 | 175.4 | -62 | -175.1 | 139.7 | 0 | 0 | 109 | Q52 E56 | Q52-E54 PolarHBondContact O-N 3.3Å; E54-E56 PolarHBondContact O-N 3.07Å |
| 55 | S | 61.3 | Low | 64.5 | Low | 116 Ų | 116 | 158.8 Ų | 158.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -66.4 | 96.6 | 176.5 | 60.1 | 0 | 0 | 0 | 0 | 110 | E53 A57 | E53-S55 PolarHBondContact O-N 3.46Å; E53-S55 VanDerWaalsContact O-N 3.16Å; S55-A57 PolarHBondContact O-N 3.26Å |
| 56 | E | 64.6 | Low | 63.9 | Low | 179 Ų | 179 | 152.7 Ų | 152.7 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -58.9 | 105.5 | 177.7 | -162.4 | 167.2 | -152 | 0 | 0 | 109.3 | E54 D58 | E54-E56 PolarHBondContact O-N 3.07Å; E56-D58 PolarHBondContact O-N 3.21Å |
| 57 | A | 67.6 | Low | 63 | Low | 90 Ų | 90 | 151.5 Ų | 151.5 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | -78.4 | 87.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S55 D59 | S55-A57 PolarHBondContact O-N 3.26Å; A57-D59 PolarHBondContact O-N 3.02Å |
| 58 | D | 65.7 | Low | 62.6 | Low | 123 Ų | 123 | 148.2 Ų | 148.2 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | | | trans | -56.9 | 105.1 | 170.7 | -93.4 | -38 | 0 | 0 | 0 | 110.5 | E56 F60 | E56-D58 PolarHBondContact O-N 3.21Å; D58-F60 HydrophobicContact CB-CD2 3.76Å; D58-F60 HydrophobicContact CB-CE2 3.71Å; D58-F60 PolarHBondContact O-N 3.16Å |
| 59 | D | 66 | Low | 61.6 | Low | 163 Ų | 163 | 144 Ų | 144 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -62.4 | 79.8 | 167.8 | -92.9 | -37.7 | 0 | 0 | 0 | 109.8 | A57 D61 | A57-D59 PolarHBondContact O-N 3.02Å; D59-D61 PolarHBondContact O-N 2.79Å |
| 60 | F | 59 | Low | 60.5 | Low | 156 Ų | 156 | 146.8 Ų | 146.8 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | | | trans | -71.7 | 79.9 | 169 | -89.2 | -83.5 | 0 | 0 | 0 | 110.3 | D58 N62 | D58-F60 HydrophobicContact CB-CD2 3.76Å; D58-F60 HydrophobicContact CB-CE2 3.71Å; D58-F60 PolarHBondContact O-N 3.16Å; F60-N62 PolarHBondContact O-N 3.16Å |
| 61 | D | 61.2 | Low | 59.4 | Low | 156 Ų | 156 | 145.3 Ų | 145.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -65 | 70 | 169.9 | -165.3 | 8.9 | 0 | 0 | 0 | 110.2 | D59 G63 | D59-D61 PolarHBondContact O-N 2.79Å; D61-G63 PolarHBondContact O-N 2.94Å |
| 62 | N | 57.6 | Low | 58.8 | Low | 133 Ų | 133 | 145.3 Ų | 145.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | -73.1 | 79.2 | 178.4 | -82.3 | -45.2 | 0 | 0 | 0 | 109.4 | F60 W64 | F60-N62 PolarHBondContact O-N 3.16Å; N62-W64 VanDerWaalsContact C-N 3.31Å; N62-W64 PolarHBondContact O-N 2.94Å |
| 63 | G | 55 | Low | 57.7 | Low | 63 Ų | 63 | 141.7 Ų | 141.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | trans | -56.5 | 90.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | D61 E65 | D61-G63 PolarHBondContact O-N 2.94Å; G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 2.86Å |
| 64 | W | 54.3 | Low | 57.3 | Low | 247 Ų | 247 | 140.7 Ų | 140.7 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | | | trans | -75.2 | 80.3 | 178 | -154.1 | -22.4 | 0 | 0 | 0 | 109.3 | N62 G66 | N62-W64 VanDerWaalsContact C-N 3.31Å; N62-W64 PolarHBondContact O-N 2.94Å; W64-G66 PolarHBondContact O-N 3Å; W64-G66 VanDerWaalsContact O-N 3.11Å |
| 65 | E | 58.1 | Low | 56.6 | Low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 117.5 | 172.2 | -71.1 | -163.4 | 148.1 | 0 | 0 | 109.4 | G63 N67 | G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 2.86Å; E65-N67 PolarHBondContact O-N 2.9Å |
| 66 | G | 51.6 | Low | 56.2 | Low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112 | W64 | W64-G66 PolarHBondContact O-N 3Å; W64-G66 VanDerWaalsContact O-N 3.11Å |
| 67 | N | 54.5 | Low | 55.6 | Low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127.6 | 166.8 | -93.3 | -31.4 | 0 | 0 | 0 | 110.3 | E65 C69 | E65-N67 PolarHBondContact O-N 2.9Å; N67-C69 PolarHBondContact O-N 2.94Å |
| 68 | P | 63 | Low | 54.8 | Low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | | | trans | -76.4 | 107.4 | 178.8 | 29.6 | -33.2 | 0 | 0 | 0 | 110.8 | L70 | P68-L70 PolarHBondContact O-N 2.89Š|
| 69 | C | 46.1 | Very low | 53.7 | Low | 127 Ų | 127 | 140.6 Ų | 140.6 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | | | trans | -64.9 | 101.1 | 165.6 | -70 | 0 | 0 | 0 | 0 | 110.1 | N67 S71 | N67-C69 PolarHBondContact O-N 2.94Å; C69-S71 PolarHBondContact O-N 2.95Å |
| 70 | L | 51.9 | Low | 52.7 | Low | 165 Ų | 165 | 139.2 Ų | 139.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -68.2 | 108.4 | 166.6 | -73 | 170.9 | 0 | 0 | 0 | 109.4 | P68 | P68-L70 PolarHBondContact O-N 2.89Š|
| 71 | S | 46.1 | Very low | 52 | Low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -89.6 | 106.8 | 171.4 | 35.1 | 0 | 0 | 0 | 0 | 110.5 | C69 | C69-S71 PolarHBondContact O-N 2.95Š|
| 72 | L | 56.1 | Low | 51.5 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -77.7 | 130.7 | 165.8 | -85 | 149 | 0 | 0 | 0 | 109.6 | | |
| 73 | P | 46.3 | Very low | 51.1 | Low | 102 Ų | 102 | 134.3 Ų | 134.3 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | trans | -80.5 | 150.2 | 169.2 | 33 | -32.3 | 0 | 0 | 0 | 110.8 | | |
| 74 | N | 53.8 | Low | 51 | Low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | 85 | 70.5 | 167.9 | -48.7 | -23.5 | 0 | 0 | 0 | 118.7 | | |
| 75 | S | 49.1 | Very low | 50.4 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -160.2 | 132.1 | 132.7 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 76 | P | 51.8 | Low | 49.6 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -88.2 | 143.7 | 158.9 | 33.6 | -28.7 | 0 | 0 | 0 | 110.2 | | |
| 77 | N | 52.7 | Low | 49.1 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 74.3 | 147.5 | 176.2 | -52.2 | -22.8 | 0 | 0 | 0 | 116.4 | | |
| 78 | V | 50.3 | Low | 48.6 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | | | trans | 75.7 | 93.7 | -177.4 | -167.2 | 0 | 0 | 0 | 0 | 115.3 | I80 | V78-I80 HydrophobicContact CG1-CD1 3.6Å; V78-I80 HydrophobicContact CG1-CG1 3.7Å |
| 79 | F | 42.7 | Very low | 47.7 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | trans | -100 | 109.3 | 158.1 | -104.6 | -93.6 | 0 | 0 | 0 | 108.8 | | |
| 80 | I | 45.7 | Very low | 47.5 | Very low | 133 Ų | 133 | 141 Ų | 141 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | trans | -119.8 | 108.8 | 168.6 | -61.5 | 168.4 | 0 | 0 | 0 | 106.7 | V78 V82 | V78-I80 HydrophobicContact CG1-CD1 3.6Å; V78-I80 HydrophobicContact CG1-CG1 3.7Å; I80-V82 HydrophobicContact CG2-CG2 4.05Å |
| 81 | C | 44.7 | Very low | 47 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -100.5 | 94.9 | 174.1 | -72.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 82 | V | 51.1 | Low | 47 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 134.6 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | I80 T84 | I80-V82 HydrophobicContact CG2-CG2 4.05Å; V82-T84 PolarHBondContact O-N 3Å; V82-T84 VanDerWaalsContact O-N 3.11Å |
| 83 | P | 47.9 | Very low | 46.3 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | -75.8 | 98.2 | 172.6 | 30.6 | -32.8 | 0 | 0 | 0 | 110 | G85 | P83-G85 PolarHBondContact O-N 2.84Š|
| 84 | T | 53.4 | Low | 46.3 | Very low | 135 Ų | 135 | 143 Ų | 143 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | -72.8 | 108.7 | 169.7 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | V82 | V82-T84 PolarHBondContact O-N 3Å; V82-T84 VanDerWaalsContact O-N 3.11Å |
| 85 | G | 40.9 | Very low | 45.9 | Very low | 60 Ų | 60 | 145.2 Ų | 145.2 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | | | trans | -74.6 | -174.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P83 | P83-G85 PolarHBondContact O-N 2.84Š|
| 86 | D | 42.6 | Very low | 45.6 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | trans | 66.2 | 90.1 | 157.9 | -49.7 | -30.1 | 0 | 0 | 0 | 119.1 | | |
| 87 | R | 40.7 | Very low | 45.4 | Very low | 224 Ų | 224 | 150 Ų | 150 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | | 170.8 | 115 | 109 | -96 | 174.2 | 162.8 | 140.2 | -2.6 | 112 | | |
| 88 | W | 44 | Very low | 45 | Very low | 252 Ų | 252 | 146.7 Ų | 146.7 | 96% | 0.955 | 77% | 0.765 | S | S | * | * | | | trans | -118.3 | 94.3 | 157.2 | -92.6 | 59.3 | 0 | 0 | 0 | 108 | | |
| 89 | D | 43.7 | Very low | 45 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | -90.9 | 116.5 | 177.3 | -147.9 | -23.7 | 0 | 0 | 0 | 109.6 | | |
| 90 | S | 42.1 | Very low | 45 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -99.5 | 101 | -174.1 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 91 | G | 40.4 | Very low | 45.1 | Very low | 67 Ų | 67 | 152.4 Ų | 152.4 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -153 | 84.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 92 | S | 46.8 | Very low | 45.1 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | 51.5 | 112.1 | 138.1 | 175.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 93 | R | 42.3 | Very low | 45.1 | Very low | 219 Ų | 219 | 159.8 Ų | 159.8 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | | 40.8 | 116.5 | 126.9 | -47 | 162.2 | 168 | 174.5 | -5.1 | 117.7 | | |
| 94 | R | 45.8 | Very low | 45.1 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | | 167 | 130.7 | 106.2 | -92.7 | 171.4 | -179.7 | -166.7 | 1.6 | 114.2 | | |
| 95 | R | 46 | Very low | 44.9 | Very low | 203 Ų | 203 | 162.9 Ų | 162.9 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | 54.5 | 111.3 | 132 | -67.5 | -178.6 | 178.3 | 175.8 | -1.3 | 119.8 | | |
| 96 | S | 41.6 | Very low | 45.4 | Very low | 87 Ų | 87 | 172 Ų | 172 | 61% | 0.608 | 82% | 0.821 | S | S | * | * | | | | 93.1 | 130.5 | 114 | -65.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 97 | R | 48.6 | Very low | 45.6 | Very low | 238 Ų | 238 | 168.3 Ų | 168.3 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | | | trans | 71.4 | 143.6 | 145.4 | -66.9 | 162.6 | -175.7 | 165.1 | -1.2 | 115.6 | | |
| 98 | A | 44.3 | Very low | 46.1 | Very low | 78 Ų | 78 | 170.2 Ų | 170.2 | 65% | 0.645 | 83% | 0.827 | S | S | * | * | | | cis | -169.3 | 177.6 | -10.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 99 | R | 49.6 | Very low | 46.2 | Very low | 245 Ų | 245 | 161.5 Ų | 161.5 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | 66 | 110.3 | 165.6 | -54.7 | 160.5 | 179.5 | 179.4 | -1.6 | 113.1 | | |
| 100 | G | 42.6 | Very low | 46.5 | Very low | 71 Ų | 71 | 165.8 Ų | 165.8 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | cis | 92 | 110.8 | 27.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 101 | R | 48.6 | Very low | 46.8 | Very low | 253 Ų | 253 | 171.7 Ų | 171.7 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | | | trans | -167.5 | 95.2 | 160.3 | -108.6 | 166.4 | -164.5 | -139.7 | 2.7 | 111 | | |
| 102 | S | 44.8 | Very low | 47.6 | Very low | 118 Ų | 118 | 173.8 Ų | 173.8 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | -72.7 | 133.3 | 166.6 | -39.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 103 | R | 50.5 | Low | 47.7 | Very low | 257 Ų | 257 | 180.8 Ų | 180.8 | 97% | 0.97 | 84% | 0.84 | S | S | * | * | | | trans | -179.6 | 117.8 | 149 | -102.8 | 159.5 | -170.3 | -169.6 | 3.1 | 110.1 | | |
| 104 | G | 46.9 | Very low | 48.1 | Very low | 81 Ų | 81 | 178.4 Ų | 178.4 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | | | trans | 179.3 | 31.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 105 | R | 50.1 | Low | 48.6 | Very low | 242 Ų | 242 | 173.7 Ų | 173.7 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | | | trans | -74.3 | 125.7 | 170.1 | -78.1 | -171.3 | 176.5 | -149 | 1.1 | 109.9 | | |
| 106 | R | 51 | Low | 48.7 | Very low | 253 Ų | 253 | 174.9 Ų | 174.9 | 96% | 0.955 | 85% | 0.848 | S | S | * | * | | | trans | 165.9 | 125.4 | 130.8 | -90.2 | 158.1 | -169.5 | -159 | 4 | 110.3 | | |
| 107 | G | 48.2 | Very low | 49 | Very low | 80 Ų | 80 | 180 Ų | 180 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | | | trans | 171.8 | 43.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | G109 | G107-G109 PolarHBondContact O-N 3.36Š|
| 108 | R | 49.9 | Very low | 49 | Very low | 264 Ų | 264 | 173.1 Ų | 173.1 | 100% | 0.996 | 85% | 0.848 | S | S | * | * | | | trans | -72.8 | 117.3 | 169.7 | -78 | -169.9 | 176 | -157.1 | -0 | 108.7 | | |
| 109 | G | 46.8 | Very low | 49.2 | Very low | 69 Ų | 69 | 180.9 Ų | 180.9 | 71% | 0.711 | 86% | 0.86 | S | S | * | * | | | trans | -150.4 | 71.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G107 | G107-G109 PolarHBondContact O-N 3.36Š|
| 110 | R | 50.5 | Low | 49.3 | Very low | 242 Ų | 242 | 176.4 Ų | 176.4 | 91% | 0.913 | 85% | 0.854 | S | S | * | * | | | trans | 46.8 | 105 | 149.3 | -58.6 | 176.2 | -176.6 | -106.4 | 1.1 | 118.8 | | |
| 111 | Y | 46.7 | Very low | 49.7 | Very low | 233 Ų | 233 | 182.4 Ų | 182.4 | 91% | 0.914 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 138.3 | 150.2 | -77.5 | -88.5 | 0 | 0 | 0 | 111.1 | | |
| 112 | P | 58.6 | Low | 49.9 | Very low | 112 Ų | 112 | 174.6 Ų | 174.6 | 73% | 0.727 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 124.7 | 150.3 | 4.9 | 14.7 | 0 | 0 | 0 | 109.5 | | |
| 113 | R | 47.9 | Very low | 50.3 | Low | 245 Ų | 245 | 175 Ų | 175 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131.5 | 161.8 | -78.2 | 174.5 | 157.8 | 162.3 | -8 | 108.5 | | |
| 114 | L | 51.6 | Low | 50.4 | Low | 170 Ų | 170 | 169.8 Ų | 169.8 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | | | trans | -121.2 | 136.9 | 159.6 | -76.3 | 175.2 | 0 | 0 | 0 | 109.5 | | |
| 115 | S | 56 | Low | 50.6 | Low | 107 Ų | 107 | 173.4 Ų | 173.4 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | | | trans | -88.3 | 151.7 | -164 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | K117 | S115-K117 PolarHBondContact O-N 2.89Š|
| 116 | Y | 47.6 | Very low | 50.9 | Low | 228 Ų | 228 | 167.8 Ų | 167.8 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | | | trans | -38.7 | 135.1 | 158.4 | -104.5 | -111.6 | 0 | 0 | 0 | 112.4 | | |
| 117 | K | 48.8 | Very low | 51.1 | Low | 193 Ų | 193 | 165.6 Ų | 165.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | -149.7 | 90 | 160 | -146.8 | 166.7 | -170.2 | 173.5 | 0 | 109.9 | S115 | S115-K117 PolarHBondContact O-N 2.89Š|
| 118 | S | 48.9 | Very low | 51.2 | Low | 95 Ų | 95 | 167 Ų | 167 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | | | trans | -63.7 | 144.9 | 167.6 | 47.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 119 | R | 47.6 | Very low | 51 | Low | 241 Ų | 241 | 163.1 Ų | 163.1 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -159.6 | 104.4 | 153.5 | -111.3 | 171.2 | -167.2 | -163.1 | -1.1 | 109.2 | | |
| 120 | N | 51 | Low | 50.9 | Low | 150 Ų | 150 | 170.8 Ų | 170.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | -56.1 | 139.6 | 154.5 | -51 | -5.5 | 0 | 0 | 0 | 107.4 | | |
| 121 | M | 52.8 | Low | 50.7 | Low | 197 Ų | 197 | 164.3 Ų | 164.3 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | | | | -148.8 | 135.4 | 127.9 | -78.3 | -139.1 | 138 | 0 | 0 | 107.1 | | |
| 122 | S | 51 | Low | 50.6 | Low | 89 Ų | 89 | 157.1 Ų | 157.1 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | | | trans | -105.5 | 174.6 | -174.8 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 123 | D | 54.4 | Low | 50.2 | Low | 126 Ų | 126 | 159.4 Ų | 159.4 | 67% | 0.674 | 80% | 0.802 | S | S | * | * | | | trans | 75.5 | 139.3 | 152.4 | -47.3 | -37.8 | 0 | 0 | 0 | 119 | | |
| 124 | D | 51.9 | Low | 50.1 | Low | 149 Ų | 149 | 153.9 Ų | 153.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 61 | 134.8 | 150.7 | -52.1 | -15.6 | 0 | 0 | 0 | 118.3 | | |
| 125 | E | 52 | Low | 50.1 | Low | 157 Ų | 157 | 157.1 Ų | 157.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | cis | -179 | -162.2 | -2.3 | -114.5 | -69.3 | 177.1 | 0 | 0 | 102.2 | | |
| 126 | D | 56.3 | Low | 49.7 | Very low | 123 Ų | 123 | 163.9 Ų | 163.9 | 66% | 0.658 | 81% | 0.806 | S | S | * | * | | | trans | 73.2 | 93 | 146.9 | -71.6 | -25.9 | 0 | 0 | 0 | 120.2 | | |
| 127 | Y | 53.8 | Low | 49.8 | Very low | 208 Ų | 208 | 164.9 Ų | 164.9 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | | 82.8 | 154.1 | 114.6 | -98.3 | -97.8 | 0 | 0 | 0 | 122.2 | | |
| 128 | C | 51.2 | Low | 50.1 | Low | 108 Ų | 108 | 167.8 Ų | 167.8 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | | | trans | 67.2 | 91.5 | 159.2 | -78.2 | 0 | 0 | 0 | 0 | 119 | | |
| 129 | M | 44.8 | Very low | 50 | Low | 184 Ų | 184 | 167 Ų | 167 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | | | | -6.2 | 140.1 | 113.5 | -64.4 | -99.2 | -153 | 0 | 0 | 115.3 | | |
| 130 | R | 46.2 | Very low | 50.3 | Low | 229 Ų | 229 | 167.6 Ų | 167.6 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | | 150.2 | 126.6 | 116.2 | -169.1 | 169.1 | -153.4 | -153 | 6.5 | 113.9 | | |
| 131 | S | 46.2 | Very low | 50.3 | Low | 107 Ų | 107 | 172.2 Ų | 172.2 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | | | trans | 59.1 | 120.3 | 156 | -60.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 132 | G | 44.2 | Very low | 50.3 | Low | 81 Ų | 81 | 167 Ų | 167 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | -72.4 | 147.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 133 | I | 49.7 | Very low | 50.2 | Low | 161 Ų | 161 | 166.3 Ų | 166.3 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | | | trans | -129 | 131.8 | 162.5 | -80.7 | 161.9 | 0 | 0 | 0 | 108 | | |
| 134 | T | 46.4 | Very low | 50.2 | Low | 129 Ų | 129 | 173 Ų | 173 | 79% | 0.791 | 85% | 0.849 | S | S | * | * | | | trans | -70.8 | 140.4 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 135 | R | 50.8 | Low | 50.1 | Low | 238 Ų | 238 | 169.2 Ų | 169.2 | 90% | 0.898 | 85% | 0.845 | S | S | * | * | | | trans | -159 | 101.4 | 152.9 | -110.9 | 158.3 | -159.4 | -159.4 | 5.5 | 112.5 | R137 | R135-R137 PolarHBondContact O-N 3.32Š|
| 136 | R | 47.4 | Very low | 50.1 | Low | 249 Ų | 249 | 173 Ų | 173 | 94% | 0.94 | 85% | 0.852 | S | S | * | * | | | trans | -55.5 | 125.4 | 160.9 | -73.7 | 171.3 | 165.4 | 156.5 | -5.4 | 109.3 | | |
| 137 | R | 51.4 | Low | 49.7 | Very low | 249 Ų | 249 | 170 Ų | 170 | 94% | 0.94 | 85% | 0.851 | S | S | * | * | | | trans | -145.9 | 128.8 | 147 | -115.5 | 177.4 | -171 | -165.8 | 2.2 | 113.5 | R135 | R135-R137 PolarHBondContact O-N 3.32Š|
| 138 | R | 53.6 | Low | 49.6 | Very low | 253 Ų | 253 | 171 Ų | 171 | 96% | 0.955 | 85% | 0.854 | S | S | * | * | | | trans | -39.2 | 139.5 | 178.6 | -61.9 | 164.4 | 174.5 | 166.5 | -3.2 | 114.7 | | |
| 139 | G | 47.8 | Very low | 49.7 | Very low | 80 Ų | 80 | 176.4 Ų | 176.4 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | | | trans | -162.2 | 74 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R141 | G139-R141 PolarHBondContact O-N 2.89Š|
| 140 | R | 52.4 | Low | 50 | Low | 252 Ų | 252 | 171 Ų | 171 | 95% | 0.951 | 85% | 0.852 | S | S | * | * | | | trans | -69.5 | 120.6 | 171.7 | -75.4 | -175.1 | 176.3 | -168.8 | -0 | 109.9 | | |
| 141 | R | 52.5 | Low | 50 | Low | 247 Ų | 247 | 171.5 Ų | 171.5 | 93% | 0.932 | 85% | 0.854 | S | S | * | * | | | trans | -159.6 | 142.7 | 139.1 | -110.8 | 167.9 | -173.1 | -170.1 | 1.1 | 110.1 | G139 | G139-R141 PolarHBondContact O-N 2.89Š|
| 142 | G | 51.7 | Low | 49.9 | Very low | 88 Ų | 88 | 171.9 Ų | 171.9 | 91% | 0.907 | 86% | 0.857 | S | S | * | * | | | trans | -75.2 | 140.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 143 | G | 49.9 | Very low | 49.8 | Very low | 74 Ų | 74 | 173.1 Ų | 173.1 | 76% | 0.763 | 85% | 0.853 | S | S | * | * | | | trans | -149.8 | 90.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | G145 | G143-G145 PolarHBondContact O-N 3.14Å; G143-G145 VanDerWaalsContact O-N 3.12Å |
| 144 | R | 55 | Low | 49.7 | Very low | 267 Ų | 267 | 171 Ų | 171 | 100% | 1.008 | 85% | 0.852 | S | S | * | * | | | trans | -70.6 | 104.8 | 172 | -74.1 | -177 | 177.7 | -176.4 | -0.2 | 108.1 | | |
| 145 | G | 49 | Very low | 49.6 | Very low | 70 Ų | 70 | 175.3 Ų | 175.3 | 72% | 0.722 | 86% | 0.855 | S | S | * | * | | | trans | -164.4 | 78.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G143 G147 | G143-G145 PolarHBondContact O-N 3.14Å; G143-G145 VanDerWaalsContact O-N 3.12Å; G145-G147 VanDerWaalsContact C-N 3.31Å; G145-G147 PolarHBondContact O-N 3.34Å |
| 146 | R | 51.2 | Low | 49.3 | Very low | 235 Ų | 235 | 166.8 Ų | 166.8 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | | | trans | -71.7 | 87 | 176.7 | -75.7 | -168.3 | 178.5 | -151.5 | 3.4 | 109.7 | R148 | R146-R148 PolarHBondContact O-N 2.88Å; R146-R148 VanDerWaalsContact O-N 3.17Å |
| 147 | G | 48.6 | Very low | 49.2 | Very low | 62 Ų | 62 | 166 Ų | 166 | 64% | 0.639 | 84% | 0.84 | S | S | * | * | | | trans | -63.9 | 109.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G145 Y149 | G145-G147 VanDerWaalsContact C-N 3.31Å; G145-G147 PolarHBondContact O-N 3.34Å; G147-Y149 VanDerWaalsContact C-N 3.3Å; G147-Y149 PolarHBondContact O-N 2.84Å |
| 148 | R | 51.6 | Low | 49 | Very low | 228 Ų | 228 | 161.5 Ų | 161.5 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | | | trans | -84.7 | 74.9 | 169.8 | -71.8 | -165.2 | -170.6 | -137.6 | 10.3 | 109.7 | R146 G150 | R146-R148 PolarHBondContact O-N 2.88Å; R146-R148 VanDerWaalsContact O-N 3.17Å; R148-G150 PolarHBondContact O-N 3.05Å; R148-G150 VanDerWaalsContact O-N 3.16Å |
| 149 | Y | 53.8 | Low | 48.4 | Very low | 221 Ų | 221 | 152.9 Ų | 152.9 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | | | trans | -79.9 | 79.8 | 156.1 | -67.7 | -78 | 0 | 0 | 0 | 108.4 | G147 | G147-Y149 VanDerWaalsContact C-N 3.3Å; G147-Y149 PolarHBondContact O-N 2.84Å |
| 150 | G | 49.8 | Very low | 48.4 | Very low | 72 Ų | 72 | 153.7 Ų | 153.7 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | -96.1 | 82 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | R148 | R148-G150 PolarHBondContact O-N 3.05Å; R148-G150 VanDerWaalsContact O-N 3.16Å |
| 151 | R | 48 | Very low | 48 | Very low | 238 Ų | 238 | 149.7 Ų | 149.7 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | | | | 56 | 86.4 | 77 | -134.9 | -178.5 | -156.1 | -120.9 | 2.2 | 110.5 | | |
| 152 | S | 42.7 | Very low | 47.6 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | trans | -50.8 | 169.7 | 161.7 | 1.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 153 | S | 42.3 | Very low | 47.6 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | 79.8 | 94.9 | 176.2 | -158.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 154 | S | 47.6 | Very low | 47.6 | Very low | 115 Ų | 115 | 147 Ų | 147 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -148.7 | 82.2 | 155.5 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | G156 | S154-G156 VanDerWaalsContact C-N 3.28Å; S154-G156 PolarHBondContact O-N 3.26Å |
| 155 | Y | 45 | Very low | 47.5 | Very low | 221 Ų | 221 | 145.5 Ų | 145.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -66.6 | 92.7 | 162.9 | -80.3 | -91.3 | 0 | 0 | 0 | 107.9 | Y157 | Y155-Y157 PolarHBondContact O-N 3.21Š|
| 156 | G | 44.1 | Very low | 47.3 | Very low | 59 Ų | 59 | 145.8 Ų | 145.8 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | | | trans | -80.1 | 91.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S154 N158 | S154-G156 VanDerWaalsContact C-N 3.28Å; S154-G156 PolarHBondContact O-N 3.26Å; G156-N158 VanDerWaalsContact C-N 3.29Å; G156-N158 PolarHBondContact O-N 3.49Å |
| 157 | Y | 45 | Very low | 47.3 | Very low | 232 Ų | 232 | 136.8 Ų | 136.8 | 91% | 0.91 | 78% | 0.776 | S | S | * | * | | | trans | -69.4 | 89.8 | 158.7 | -106.7 | -95.4 | 0 | 0 | 0 | 108.1 | Y155 | Y155-Y157 PolarHBondContact O-N 3.21Š|
| 158 | N | 48.1 | Very low | 47.4 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -88.7 | 131.5 | 161.7 | -83.1 | -9.5 | 0 | 0 | 0 | 107.9 | G156 | G156-N158 VanDerWaalsContact C-N 3.29Å; G156-N158 PolarHBondContact O-N 3.49Å |
| 159 | G | 41.4 | Very low | 47.4 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -76.4 | 156.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E161 | G159-E161 VanDerWaalsContact C-N 3.29Å; G159-E161 PolarHBondContact O-N 3.1Å |
| 160 | G | 46.6 | Very low | 47.1 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 100% | 1 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 79.7 | -41.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 161 | E | 44.4 | Very low | 47.3 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -104.4 | 130.1 | -172.5 | -123.6 | 178.8 | 172 | 0 | 0 | 112 | G159 V163 | G159-E161 VanDerWaalsContact C-N 3.29Å; G159-E161 PolarHBondContact O-N 3.1Å; E161-V163 VanDerWaalsContact C-N 3.26Å; E161-V163 PolarHBondContact O-N 3Å |
| 162 | F | 43.3 | Very low | 47.6 | Very low | 182 Ų | 182 | 125 Ų | 125 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | -72.8 | 75.7 | -178.2 | -174.1 | -100.4 | 0 | 0 | 0 | 111.4 | G164 | F162-G164 VanDerWaalsContact C-N 3.31Å; F162-G164 PolarHBondContact O-N 2.95Å |
| 163 | V | 51.6 | Low | 48.3 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | | | trans | -73.4 | 88.1 | 172.4 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | E161 | E161-V163 VanDerWaalsContact C-N 3.26Å; E161-V163 PolarHBondContact O-N 3Å |
| 164 | G | 50.2 | Low | 49 | Very low | 42 Ų | 42 | 122.5 Ų | 122.5 | 43% | 0.433 | 74% | 0.743 | S | S | . | * | | | trans | -54.3 | 151.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F162 G166 | F162-G164 VanDerWaalsContact C-N 3.31Å; F162-G164 PolarHBondContact O-N 2.95Å; G164-G166 VanDerWaalsContact C-N 3.26Å; G164-G166 PolarHBondContact O-N 3.16Å |
| 165 | Y | 52.6 | Low | 50 | Low | 236 Ų | 236 | 128.9 Ų | 128.9 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | | | trans | -63.5 | 77.5 | -178.2 | -97.3 | -102.1 | 0 | 0 | 0 | 112.8 | G167 | Y165-G167 PolarHBondContact O-N 3.23Š|
| 166 | G | 46.3 | Very low | 51.7 | Low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | -73.6 | 67.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G164 S168 | G164-G166 VanDerWaalsContact C-N 3.26Å; G164-G166 PolarHBondContact O-N 3.16Å; G166-S168 PolarHBondContact O-N 3.19Å; G166-S168 VanDerWaalsContact O-N 3.09Å |
| 167 | G | 50.5 | Low | 53.8 | Low | 46 Ų | 46 | 126.8 Ų | 126.8 | 47% | 0.474 | 73% | 0.73 | S | S | . | * | | | trans | -59.9 | 110.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | Y165 G169 T170 | Y165-G167 PolarHBondContact O-N 3.23Å; G167-G169 PolarHBondContact O-N 3.1Å; G167-T170 PolarHBondContact O-N 2.82Å; G167-T170 PolarHBondContact O-OG1 2.93Å |
| 168 | S | 50 | Low | 56.1 | Low | 137 Ų | 137 | 116.8 Ų | 116.8 | 96% | 0.958 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 106.5 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | G166 | G166-S168 PolarHBondContact O-N 3.19Å; G166-S168 VanDerWaalsContact O-N 3.09Å |
| 169 | G | 51.4 | Low | 58.4 | Low | 77 Ų | 77 | 113.3 Ų | 113.3 | 79% | 0.794 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.6 | -28 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | G167 K171 | G167-G169 PolarHBondContact O-N 3.1Å; G169-K171 PolarHBondContact O-N 2.79Å |
| 170 | T | 49.1 | Very low | 60.9 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -75.2 | 120.9 | 170 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | G167 A172 | G167-T170 PolarHBondContact O-N 2.82Å; G167-T170 PolarHBondContact O-OG1 2.93Å; T170-A172 PolarHBondContact O-N 3.43Å |
| 171 | K | 54 | Low | 63.3 | Low | 173 Ų | 173 | 111 Ų | 111 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | | | trans | -52.3 | 109.6 | 169.3 | -68.7 | -178.4 | 178.2 | -176 | 0 | 108 | G169 Y173 | G169-K171 PolarHBondContact O-N 2.79Å; K171-Y173 PolarHBondContact O-N 2.83Å |
| 172 | A | 53.3 | Low | 65.8 | Low | 85 Ų | 85 | 105.6 Ų | 105.6 | 70% | 0.702 | 60% | 0.6 | S | S | * | * | | | trans | -57.8 | 118.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | T170 G174 | T170-A172 PolarHBondContact O-N 3.43Å; A172-G174 VanDerWaalsContact C-N 3.35Å; A172-G174 WeakPolarHBondContact O-CA 3Å; A172-G174 PolarHBondContact O-N 3.12Å |
| 173 | Y | 57.6 | Low | 68.3 | Low | 112 Ų | 112 | 99.5 Ų | 99.5 | 44% | 0.439 | 58% | 0.576 | S | S | . | * | | | trans | -60.7 | 106.5 | 164.5 | -80 | -107.5 | 0 | 0 | 0 | 104.8 | K171 R175 T210 | K171-Y173 PolarHBondContact O-N 2.83Å; Y173-R175 PolarHBondContact O-N 2.67Å; Y173-T210 HydrophobicContact CD2-CG2 4.09Å; Y173-T210 HydrophobicContact CE2-CG2 3.62Å |
| 174 | G | 58 | Low | 70.4 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | | | trans | -70.5 | 95.9 | -142.4 | 0 | 0 | 0 | 0 | 0 | 114 | A172 K176 | A172-G174 VanDerWaalsContact C-N 3.35Å; A172-G174 WeakPolarHBondContact O-CA 3Å; A172-G174 PolarHBondContact O-N 3.12Å; G174-K176 PolarHBondContact O-N 2.98Å |
| 175 | R | 68.1 | Low | 72.6 | Confident | 250 Ų | 250 | 93.5 Ų | 93.5 | 94% | 0.943 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 48.2 | 15.7 | 172.1 | -69.7 | -169.2 | 177.4 | -137.8 | 2 | 116.5 | Y173 E177 | Y173-R175 PolarHBondContact O-N 2.67Å; R175-E177 PolarHBondContact O-N 3.01Å |
| 176 | K | 80.7 | Confident | 74.6 | Confident | 80 Ų | 80 | 87.2 Ų | 87.2 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 118.1 | 172.9 | -67.9 | -174.1 | -178 | 178.2 | 0 | 108.6 | G174 V178 F198 E204 | G174-K176 PolarHBondContact O-N 2.98Å; K176-V178 PolarHBondContact O-N 3.46Å; K176-F198 HydrophobicContact CB-CD1 3.5Å; K176-F198 VanDerWaalsContact CB-CD1 3.5Å; K176-F198 HydrophobicContact CB-CE1 3.81Å; K176-F198 HydrophobicContact CB-CG 4.37Å; K176-F198 HydrophobicContact CD-CD1 4.08Å; K176-F198 HydrophobicContact CD-CE1 4.29Å; K176-F198 HydrophobicContact CD-CG 4.33Å; K176-F198 HydrophobicContact CG-CD1 4.48Å; K176-E204 IonicContact NZ-OE1 2.89Å; K176-E204 PolarHBondContact NZ-OE1 2.91Å |
| 177 | E | 88.3 | Confident | 76.9 | Confident | 155 Ų | 155 | 84.6 Ų | 84.6 | 72% | 0.724 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 128.8 | 173.6 | -69.4 | 172.4 | -172.6 | 0 | 0 | 109.5 | R175 F198 A199 | R175-E177 PolarHBondContact O-N 3.01Å; E177-F198 WeakPolarHBondContact O-CA 3.44Å; E177-A199 HydrophobicContact CB-CB 4.32Å; E177-A199 PolarHBondContact O-N 3.48Å |
| 178 | V | 93.1 | Very high | 78.9 | Confident | 22 Ų | 22 | 91.7 Ų | 91.7 | 13% | 0.133 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.8 | 174.7 | 165.1 | 0 | 0 | 0 | 0 | 107.8 | K176 V196 F198 L215 Q218 | K176-V178 PolarHBondContact O-N 3.46Å; V178-V196 HydrophobicContact CB-CG1 4.05Å; V178-V196 HydrophobicContact CG1-CG1 3.31Å; V178-V196 HydrophobicContact CG2-CG1 3.56Å; V178-F198 HydrophobicContact CG2-CD1 3.64Å; V178-F198 HydrophobicContact CG2-CE1 3.42Å; V178-F198 VanDerWaalsContact CG2-CE1 3.42Å; V178-F198 HydrophobicContact CG2-CZ 4.19Å; V178-L215 HydrophobicContact CB-CD1 4.48Å; V178-L215 HydrophobicContact CB-CD2 3.62Å; V178-L215 HydrophobicContact CG1-CD1 4.14Å; V178-L215 HydrophobicContact CG1-CD2 3.88Å; V178-L215 HydrophobicContact CG2-CD1 4.08Å; V178-L215 HydrophobicContact CG2-CD2 3.68Å; V178-Q218 HydrophobicContact CG1-CG 4.4Å; V178-Q218 PolarHBondContact O-NE2 2.96Å |
| 179 | T | 95 | Very high | 80.8 | Confident | 83 Ų | 83 | 90.2 Ų | 90.2 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -45.5 | 178.2 | 44.8 | 0 | 0 | 0 | 0 | 111.1 | V197 A199 | T179-V197 PolarHBondContact N-O 2.92Å; T179-V197 PolarHBondContact OG1-O 2.79Å; T179-V197 VanDerWaalsContact OG1-O 3.09Å; T179-A199 HydrophobicContact CG2-CB 4.1Å |
| 180 | Q | 95.3 | Very high | 82.5 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 146.5 | -175.6 | -164.7 | 175.2 | 14.8 | 0 | 0 | 112.3 | V197 | Q180-V197 PolarHBondContact N-O 3.23Å; Q180-V197 PolarHBondContact O-N 3.34Å |
| 181 | V | 96.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 94.5 Ų | 94.5 | 1% | 0.006 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.5 | 160.5 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | A194 V196 L215 Q218 L219 M222 | V181-A194 HydrophobicContact CG1-CB 3.95Å; V181-V196 HydrophobicContact CG2-CG2 4.34Å; V181-L215 HydrophobicContact CG2-CD1 4.42Å; V181-Q218 HydrophobicContact CG2-CB 3.95Å; V181-L219 HydrophobicContact CB-CD2 4.38Å; V181-L219 HydrophobicContact CG1-CD2 3.96Å; V181-L219 HydrophobicContact CG2-CD2 4.24Å; V181-L219 HydrophobicContact CG2-CG 4.31Å; V181-M222 HydrophobicContact CB-SD 4.39Å; V181-M222 HydrophobicContact CG1-SD 3.81Å |
| 182 | V | 96.4 | Very high | 86.6 | Confident | 54 Ų | 54 | 88.5 Ų | 88.5 | 33% | 0.327 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -40.8 | -170.5 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | W195 V197 | V182-W195 HydrophobicContact CB-CD2 4.45Å; V182-W195 HydrophobicContact CB-CE3 4.38Å; V182-W195 HydrophobicContact CG1-CD2 4.46Å; V182-W195 HydrophobicContact CG1-CE3 3.99Å; V182-W195 HydrophobicContact CG1-CZ3 4.24Å; V182-W195 PolarHBondContact N-O 3.02Å; V182-V197 HydrophobicContact CG2-CG2 3.49Å; V182-V197 VanDerWaalsContact CG2-CG2 3.49Å |
| 183 | D | 96.2 | Very high | 88.7 | Confident | 54 Ų | 54 | 87.3 Ų | 87.3 | 29% | 0.289 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 161.9 | -177.2 | -155 | -14 | 0 | 0 | 0 | 110.9 | W195 | D183-W195 HydrophobicContact CB-CE3 4.24Å; D183-W195 PolarHBondContact O-N 2.96Å |
| 184 | L | 96.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 82 Ų | 82 | 14% | 0.136 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 110.5 | 172.2 | -69.2 | -177.7 | 0 | 0 | 0 | 110.6 | A194 Y208 L219 M222 Y223 | L184-A194 HydrophobicContact CD2-CB 3.9Å; L184-Y208 HydrophobicContact CD1-CD2 4.39Å; L184-Y208 HydrophobicContact CD1-CE2 4.02Å; L184-Y208 HydrophobicContact CD2-CD2 3.74Å; L184-Y208 HydrophobicContact CD2-CE2 4.08Å; L184-L219 HydrophobicContact CD2-CD2 4Å; L184-M222 HydrophobicContact CD1-CE 3.84Å; L184-M222 HydrophobicContact CG-CE 3.92Å; L184-M222 HydrophobicContact CG-SD 3.93Å; L184-Y223 HydrophobicContact CD1-CE1 3.83Å; L184-Y223 WeakPolarHBondContact CD1-OH 3.35Å |
| 185 | V | 95.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 82.7 Ų | 82.7 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.7 | -174.2 | -171 | 0 | 0 | 0 | 0 | 110.2 | F12 W193 Y205 | F12-V185 HydrophobicContact CD1-CG1 3.36Å; F12-V185 HydrophobicContact CD2-CG1 4.25Å; F12-V185 HydrophobicContact CE1-CG1 3.18Å; F12-V185 HydrophobicContact CE2-CG1 4.09Å; F12-V185 HydrophobicContact CG-CG1 3.9Å; F12-V185 HydrophobicContact CZ-CG1 3.55Å; V185-W193 PolarHBondContact N-O 3.03Å; V185-W193 PolarHBondContact O-N 3.21Å; V185-Y205 HydrophobicContact CG2-CE1 4.19Å |
| 186 | K | 95.9 | Very high | 93.7 | Very high | 105 Ų | 105 | 70.8 Ų | 70.8 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121.4 | 172.7 | -166.3 | -179.1 | 177.9 | -174.8 | 0 | 109.3 | I15 | I15-K186 HydrophobicContact CD1-CB 3.89Å |
| 187 | G | 93.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 68.2 Ų | 68.2 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | | | trans | -82 | 166.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D189 E190 K191 | G187-D189 VanDerWaalsContact C-N 3.28Å; G187-D189 PolarHBondContact O-N 3.02Å; G187-E190 PolarHBondContact O-N 3.13Å; G187-E190 VanDerWaalsContact O-N 3.14Å; G187-K191 PolarHBondContact N-O 3.29Å |
| 188 | E | 92.3 | Very high | 94.8 | Very high | 196 Ų | 196 | 61.3 Ų | 61.3 | 92% | 0.916 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -40.1 | 177.9 | -64.9 | 172.5 | -177 | 0 | 0 | 112.3 | E190 | E188-E190 PolarHBondContact O-N 3.44Š|
| 189 | D | 90.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 63.3 Ų | 63.3 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 13.1 | 175.3 | -73.1 | 10.2 | 0 | 0 | 0 | 115 | G187 K191 | G187-D189 VanDerWaalsContact C-N 3.28Å; G187-D189 PolarHBondContact O-N 3.02Å; D189-K191 HydrophobicContact CB-CB 4.3Å; D189-K191 HydrophobicContact CB-CD 3.67Å; D189-K191 HydrophobicContact CB-CG 4.04Å; D189-K191 PolarHBondContact O-N 2.79Å; D189-K191 IonicContact OD2-NZ 2.67Å; D189-K191 PolarHBondContact OD2-NZ 2.87Å |
| 190 | E | 87.7 | Confident | 94.7 | Very high | 151 Ų | 151 | 63.4 Ų | 63.4 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 59.2 | -11.1 | -165.2 | -49.4 | -163.6 | 118.2 | 0 | 0 | 116.3 | G187 E188 S192 | G187-E190 PolarHBondContact O-N 3.13Å; G187-E190 VanDerWaalsContact O-N 3.14Å; E188-E190 PolarHBondContact O-N 3.44Å; E190-S192 PolarHBondContact O-N 2.8Å |
| 191 | K | 93.8 | Very high | 94.7 | Very high | 118 Ų | 118 | 60.4 Ų | 60.4 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | | | trans | -64.2 | 122.7 | 177.2 | -66.1 | 161 | -159.4 | 155.6 | 0 | 110.1 | G187 D189 W193 | G187-K191 PolarHBondContact N-O 3.29Å; D189-K191 HydrophobicContact CB-CB 4.3Å; D189-K191 HydrophobicContact CB-CD 3.67Å; D189-K191 HydrophobicContact CB-CG 4.04Å; D189-K191 PolarHBondContact O-N 2.79Å; D189-K191 IonicContact OD2-NZ 2.67Å; D189-K191 PolarHBondContact OD2-NZ 2.87Å; K191-W193 PolarHBondContact O-NE1 3.12Å |
| 192 | S | 95.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 65.7 Ų | 65.7 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 142.4 | 169.6 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | E190 Y208 | E190-S192 PolarHBondContact O-N 2.8Å; S192-Y208 VanDerWaalsContact O-CB 3.25Å; S192-Y208 WeakPolarHBondContact O-CB 3.44Å; S192-Y208 PolarHBondContact O-N 3.45Å; S192-Y208 WeakPolarHBondContact OG-CB 3.37Å |
| 193 | W | 96.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 68.6 Ų | 68.6 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.6 | 177.3 | -60 | 81.4 | 0 | 0 | 0 | 108.5 | V185 K191 Y205 V206 P207 | V185-W193 PolarHBondContact N-O 3.03Å; V185-W193 PolarHBondContact O-N 3.21Å; K191-W193 PolarHBondContact O-NE1 3.12Å; W193-Y205 HydrophobicContact CB-CD1 4.25Å; W193-V206 CarbonylContact C-O 3.57Å; W193-V206 WeakPolarHBondContact CA-O 3.14Å; W193-P207 HydrophobicContact CE3-CB 4.46Å; W193-P207 HydrophobicContact CE3-CG 4.02Å; W193-P207 HydrophobicContact CH2-CG 4.14Å; W193-P207 HydrophobicContact CZ3-CB 4.43Å; W193-P207 HydrophobicContact CZ3-CG 3.6Å |
| 194 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | V181 L184 V196 V206 A211 | V181-A194 HydrophobicContact CG1-CB 3.95Å; L184-A194 HydrophobicContact CD2-CB 3.9Å; A194-V196 HydrophobicContact CB-CG2 3.88Å; A194-V206 PolarHBondContact N-O 3.2Å; A194-V206 PolarHBondContact O-N 2.86Å; A194-A211 HydrophobicContact CB-CB 3.82Å |
| 195 | W | 96.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 72.4 Ų | 72.4 | 28% | 0.284 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 112.5 | 169 | -172.8 | 12.4 | 0 | 0 | 0 | 108.2 | V182 D183 Q203 Y205 | V182-W195 HydrophobicContact CB-CD2 4.45Å; V182-W195 HydrophobicContact CB-CE3 4.38Å; V182-W195 HydrophobicContact CG1-CD2 4.46Å; V182-W195 HydrophobicContact CG1-CE3 3.99Å; V182-W195 HydrophobicContact CG1-CZ3 4.24Å; V182-W195 PolarHBondContact N-O 3.02Å; D183-W195 HydrophobicContact CB-CE3 4.24Å; D183-W195 PolarHBondContact O-N 2.96Å; W195-Q203 VanDerWaalsContact CZ2-OE1 3.27Å; W195-Q203 VanDerWaalsContact NE1-OE1 3.14Å; W195-Y205 HydrophobicContact CB-CD1 4.35Å; W195-Y205 HydrophobicContact CB-CE1 4.01Å; W195-Y205 HydrophobicContact CG-CE1 4.06Å |
| 196 | V | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.1 | -167.3 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | V178 V181 A194 F198 Q203 E204 V206 L215 | V178-V196 HydrophobicContact CB-CG1 4.05Å; V178-V196 HydrophobicContact CG1-CG1 3.31Å; V178-V196 HydrophobicContact CG2-CG1 3.56Å; V181-V196 HydrophobicContact CG2-CG2 4.34Å; A194-V196 HydrophobicContact CB-CG2 3.88Å; V196-F198 HydrophobicContact CG1-CZ 4.48Å; V196-Q203 WeakPolarHBondContact O-CA 3.19Å; V196-E204 PolarHBondContact N-O 3.17Å; V196-E204 PolarHBondContact O-N 3.35Å; V196-V206 HydrophobicContact CB-CG2 4.14Å; V196-V206 HydrophobicContact CG2-CB 3.96Å; V196-V206 HydrophobicContact CG2-CG2 3.75Å; V196-L215 HydrophobicContact CG1-CD1 4.22Å; V196-L215 HydrophobicContact CG2-CD1 4.23Å |
| 197 | V | 96 | Very high | 94.4 | Very high | 26 Ų | 26 | 68.6 Ų | 68.6 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | T179 Q180 V182 Q203 | T179-V197 PolarHBondContact N-O 2.92Å; T179-V197 PolarHBondContact OG1-O 2.79Å; T179-V197 VanDerWaalsContact OG1-O 3.09Å; Q180-V197 PolarHBondContact N-O 3.23Å; Q180-V197 PolarHBondContact O-N 3.34Å; V182-V197 HydrophobicContact CG2-CG2 3.49Å; V182-V197 VanDerWaalsContact CG2-CG2 3.49Å; V197-Q203 HydrophobicContact CG2-CG 4.23Å |
| 198 | F | 94.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.044 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 163.2 | 174.2 | -65.7 | -86.7 | 0 | 0 | 0 | 111.5 | K176 E177 V178 V196 D200 G201 K202 E204 | K176-F198 HydrophobicContact CB-CD1 3.5Å; K176-F198 VanDerWaalsContact CB-CD1 3.5Å; K176-F198 HydrophobicContact CB-CE1 3.81Å; K176-F198 HydrophobicContact CB-CG 4.37Å; K176-F198 HydrophobicContact CD-CD1 4.08Å; K176-F198 HydrophobicContact CD-CE1 4.29Å; K176-F198 HydrophobicContact CD-CG 4.33Å; K176-F198 HydrophobicContact CG-CD1 4.48Å; E177-F198 WeakPolarHBondContact O-CA 3.44Å; V178-F198 HydrophobicContact CG2-CD1 3.64Å; V178-F198 HydrophobicContact CG2-CE1 3.42Å; V178-F198 VanDerWaalsContact CG2-CE1 3.42Å; V178-F198 HydrophobicContact CG2-CZ 4.19Å; V196-F198 HydrophobicContact CG1-CZ 4.48Å; F198-D200 HydrophobicContact CB-CB 4.43Å; F198-D200 PolarHBondContact O-N 2.75Å; F198-D200 VanDerWaalsContact O-N 3.14Å; F198-G201 PolarHBondContact O-N 2.83Å; F198-K202 PolarHBondContact N-O 2.91Å; F198-E204 HydrophobicContact CD2-CG 4.33Å; F198-E204 HydrophobicContact CE2-CB 3.87Å; F198-E204 HydrophobicContact CE2-CG 3.77Å |
| 199 | A | 94.3 | Very high | 94.5 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 52% | 0.521 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E177 T179 G201 | E177-A199 HydrophobicContact CB-CB 4.32Å; E177-A199 PolarHBondContact O-N 3.48Å; T179-A199 HydrophobicContact CG2-CB 4.1Å; A199-G201 PolarHBondContact O-N 3.47Å |
| 200 | D | 92.5 | Very high | 94.7 | Very high | 86 Ų | 86 | 63 Ų | 63 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -7 | 170.6 | -73.2 | 17.8 | 0 | 0 | 0 | 114.8 | F198 K202 | F198-D200 HydrophobicContact CB-CB 4.43Å; F198-D200 PolarHBondContact O-N 2.75Å; F198-D200 VanDerWaalsContact O-N 3.14Å; D200-K202 HydrophobicContact CB-CB 4.12Å; D200-K202 HydrophobicContact CB-CD 3.84Å; D200-K202 HydrophobicContact CB-CG 3.89Å; D200-K202 PolarHBondContact O-N 3.28Å; D200-K202 VanDerWaalsContact O-N 3.14Å; D200-K202 IonicContact OD2-NZ 2.76Å; D200-K202 PolarHBondContact OD2-NZ 3.37Å |
| 201 | G | 94.9 | Very high | 95 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 70.6 | -3.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F198 A199 | F198-G201 PolarHBondContact O-N 2.83Å; A199-G201 PolarHBondContact O-N 3.47Å |
| 202 | K | 94.9 | Very high | 95 | Very high | 112 Ų | 112 | 57.7 Ų | 57.7 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | | | trans | -73.2 | 147.3 | 177.8 | -67.8 | 170 | -165.7 | 147.6 | 0 | 110.6 | F198 D200 | F198-K202 PolarHBondContact N-O 2.91Å; D200-K202 HydrophobicContact CB-CB 4.12Å; D200-K202 HydrophobicContact CB-CD 3.84Å; D200-K202 HydrophobicContact CB-CG 3.89Å; D200-K202 PolarHBondContact O-N 3.28Å; D200-K202 VanDerWaalsContact O-N 3.14Å; D200-K202 IonicContact OD2-NZ 2.76Å; D200-K202 PolarHBondContact OD2-NZ 3.37Å |
| 203 | Q | 95.2 | Very high | 94.9 | Very high | 114 Ų | 114 | 63 Ų | 63 | 53% | 0.533 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.5 | 177.8 | -57.4 | -176.8 | -2.7 | 0 | 0 | 109.5 | W195 V196 V197 | W195-Q203 VanDerWaalsContact CZ2-OE1 3.27Å; W195-Q203 VanDerWaalsContact NE1-OE1 3.14Å; V196-Q203 WeakPolarHBondContact O-CA 3.19Å; V197-Q203 HydrophobicContact CG2-CG 4.23Å |
| 204 | E | 95.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 34% | 0.341 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.6 | 174.1 | -49.4 | 178.1 | -169 | 0 | 0 | 110.2 | K176 V196 F198 | K176-E204 IonicContact NZ-OE1 2.89Å; K176-E204 PolarHBondContact NZ-OE1 2.91Å; V196-E204 PolarHBondContact N-O 3.17Å; V196-E204 PolarHBondContact O-N 3.35Å; F198-E204 HydrophobicContact CD2-CG 4.33Å; F198-E204 HydrophobicContact CE2-CB 3.87Å; F198-E204 HydrophobicContact CE2-CG 3.77Å |
| 205 | Y | 95.1 | Very high | 94.5 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.5 | 172.1 | -72.6 | -86 | 0 | 0 | 0 | 109.7 | F12 V185 W193 W195 | F12-Y205 HydrophobicContact CE2-CE1 4.34Å; F12-Y205 HydrophobicContact CZ-CE1 4.41Å; V185-Y205 HydrophobicContact CG2-CE1 4.19Å; W193-Y205 HydrophobicContact CB-CD1 4.25Å; W195-Y205 HydrophobicContact CB-CD1 4.35Å; W195-Y205 HydrophobicContact CB-CE1 4.01Å; W195-Y205 HydrophobicContact CG-CE1 4.06Å |
| 206 | V | 94.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.7 | -179.3 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | W193 A194 V196 Y208 T210 A211 | W193-V206 CarbonylContact C-O 3.57Å; W193-V206 WeakPolarHBondContact CA-O 3.14Å; A194-V206 PolarHBondContact N-O 3.2Å; A194-V206 PolarHBondContact O-N 2.86Å; V196-V206 HydrophobicContact CB-CG2 4.14Å; V196-V206 HydrophobicContact CG2-CB 3.96Å; V196-V206 HydrophobicContact CG2-CG2 3.75Å; V206-Y208 PolarHBondContact O-N 3.05Å; V206-T210 HydrophobicContact CG1-CG2 4.09Å; V206-A211 HydrophobicContact CG1-CB 4.35Å |
| 207 | P | 95.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 69.1 Ų | 69.1 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 134.4 | 176.1 | -23.4 | 31.6 | 0 | 0 | 0 | 111.3 | W193 N209 T210 A211 | W193-P207 HydrophobicContact CE3-CB 4.46Å; W193-P207 HydrophobicContact CE3-CG 4.02Å; W193-P207 HydrophobicContact CH2-CG 4.14Å; W193-P207 HydrophobicContact CZ3-CB 4.43Å; W193-P207 HydrophobicContact CZ3-CG 3.6Å; P207-N209 PolarHBondContact O-N 2.81Å; P207-N209 VanDerWaalsContact O-N 3.17Å; P207-T210 WeakPolarHBondContact O-CA 3.12Å; P207-T210 WeakPolarHBondContact O-CB 3.25Å; P207-T210 PolarHBondContact O-N 2.84Å; P207-A211 PolarHBondContact O-N 2.96Å |
| 208 | Y | 95.5 | Very high | 94.3 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.8 | -37.4 | -175 | 178.4 | -110.2 | 0 | 0 | 0 | 112.8 | L184 S192 V206 T210 A211 R212 L219 Y223 | L184-Y208 HydrophobicContact CD1-CD2 4.39Å; L184-Y208 HydrophobicContact CD1-CE2 4.02Å; L184-Y208 HydrophobicContact CD2-CD2 3.74Å; L184-Y208 HydrophobicContact CD2-CE2 4.08Å; S192-Y208 VanDerWaalsContact O-CB 3.25Å; S192-Y208 WeakPolarHBondContact O-CB 3.44Å; S192-Y208 PolarHBondContact O-N 3.45Å; S192-Y208 WeakPolarHBondContact OG-CB 3.37Å; V206-Y208 PolarHBondContact O-N 3.05Å; Y208-T210 PolarHBondContact O-N 3.18Å; Y208-A211 PolarHBondContact O-N 2.93Å; Y208-R212 VanDerWaalsContact O-CB 3.26Å; Y208-R212 WeakPolarHBondContact O-CB 3.08Å; Y208-R212 PolarHBondContact O-N 2.72Å; Y208-L219 HydrophobicContact CE2-CD1 4.33Å; Y208-L219 HydrophobicContact CE2-CD2 4.34Å; Y208-Y223 PolarHBondContact OH-OH 3.05Å; Y208-Y223 VanDerWaalsContact OH-OH 3.1Å |
| 209 | N | 93.3 | Very high | 94.3 | Very high | 121 Ų | 121 | 70 Ų | 70 | 65% | 0.647 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.9 | -23.6 | 175.2 | -72 | -25.7 | 0 | 0 | 0 | 114.3 | P207 K213 | P207-N209 PolarHBondContact O-N 2.81Å; P207-N209 VanDerWaalsContact O-N 3.17Å; N209-K213 WeakPolarHBondContact O-CG 3.36Å |
| 210 | T | 93.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 71.3 Ų | 71.3 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -86.7 | -45.7 | 173.2 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | Y173 V206 P207 Y208 R212 K213 N214 | Y173-T210 HydrophobicContact CD2-CG2 4.09Å; Y173-T210 HydrophobicContact CE2-CG2 3.62Å; V206-T210 HydrophobicContact CG1-CG2 4.09Å; P207-T210 WeakPolarHBondContact O-CA 3.12Å; P207-T210 WeakPolarHBondContact O-CB 3.25Å; P207-T210 PolarHBondContact O-N 2.84Å; Y208-T210 PolarHBondContact O-N 3.18Å; T210-R212 PolarHBondContact O-N 2.92Å; T210-K213 PolarHBondContact O-N 3.02Å; T210-K213 VanDerWaalsContact O-N 3.13Å; T210-N214 PolarHBondContact O-N 3.46Å |
| 211 | A | 94 | Very high | 94.6 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A194 V206 P207 Y208 K213 N214 L215 L219 | A194-A211 HydrophobicContact CB-CB 3.82Å; V206-A211 HydrophobicContact CG1-CB 4.35Å; P207-A211 PolarHBondContact O-N 2.96Å; Y208-A211 PolarHBondContact O-N 2.93Å; A211-K213 PolarHBondContact O-N 3.09Å; A211-N214 PolarHBondContact O-N 2.88Å; A211-N214 VanDerWaalsContact O-N 3.12Å; A211-L215 HydrophobicContact CB-CD1 4.15Å; A211-L215 WeakPolarHBondContact O-CA 3.45Å; A211-L215 WeakPolarHBondContact O-CB 3.45Å; A211-L215 PolarHBondContact O-N 3.09Å; A211-L219 HydrophobicContact CB-CD1 4.1Å |
| 212 | R | 93.7 | Very high | 94.6 | Very high | 157 Ų | 157 | 69.7 Ų | 69.7 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.5 | -19.9 | 177 | -175.2 | 176 | 178.1 | -158.7 | 0.6 | 114.6 | Y208 T210 I216 L219 | Y208-R212 VanDerWaalsContact O-CB 3.26Å; Y208-R212 WeakPolarHBondContact O-CB 3.08Å; Y208-R212 PolarHBondContact O-N 2.72Å; T210-R212 PolarHBondContact O-N 2.92Å; R212-I216 WeakPolarHBondContact O-CD1 3.38Å; R212-I216 WeakPolarHBondContact O-CG1 3.49Å; R212-L219 HydrophobicContact CB-CD1 4.48Å |
| 213 | K | 93.3 | Very high | 94.6 | Very high | 158 Ų | 158 | 69.1 Ų | 69.1 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -93.3 | -32.3 | 177.5 | -68.1 | -178.2 | -177.7 | -173 | 0 | 113.2 | N209 T210 A211 | N209-K213 WeakPolarHBondContact O-CG 3.36Å; T210-K213 PolarHBondContact O-N 3.02Å; T210-K213 VanDerWaalsContact O-N 3.13Å; A211-K213 PolarHBondContact O-N 3.09Å |
| 214 | N | 91.7 | Very high | 94.6 | Very high | 89 Ų | 89 | 70.4 Ų | 70.4 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -110.4 | -23.2 | -168.6 | -60.4 | -16.8 | 0 | 0 | 0 | 113.4 | T210 A211 | T210-N214 PolarHBondContact O-N 3.46Å; A211-N214 PolarHBondContact O-N 2.88Å; A211-N214 VanDerWaalsContact O-N 3.12Å |
| 215 | L | 93.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | | | trans | -127 | 35.6 | -167.1 | -53 | 176 | 0 | 0 | 0 | 111.3 | V178 V181 V196 A211 L219 | V178-L215 HydrophobicContact CB-CD1 4.48Å; V178-L215 HydrophobicContact CB-CD2 3.62Å; V178-L215 HydrophobicContact CG1-CD1 4.14Å; V178-L215 HydrophobicContact CG1-CD2 3.88Å; V178-L215 HydrophobicContact CG2-CD1 4.08Å; V178-L215 HydrophobicContact CG2-CD2 3.68Å; V181-L215 HydrophobicContact CG2-CD1 4.42Å; V196-L215 HydrophobicContact CG1-CD1 4.22Å; V196-L215 HydrophobicContact CG2-CD1 4.23Å; A211-L215 HydrophobicContact CB-CD1 4.15Å; A211-L215 WeakPolarHBondContact O-CA 3.45Å; A211-L215 WeakPolarHBondContact O-CB 3.45Å; A211-L215 PolarHBondContact O-N 3.09Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 3.26Å |
| 216 | I | 94.5 | Very high | 94.2 | Very high | 91 Ų | 91 | 72.9 Ų | 72.9 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.3 | -46.9 | -179.2 | -62.5 | 174.7 | 0 | 0 | 0 | 111.6 | R212 L219 L220 | R212-I216 WeakPolarHBondContact O-CD1 3.38Å; R212-I216 WeakPolarHBondContact O-CG1 3.49Å; I216-L219 PolarHBondContact O-N 2.88Å; I216-L220 HydrophobicContact CG2-CD1 3.93Å; I216-L220 HydrophobicContact CG2-CG 4.34Å; I216-L220 WeakPolarHBondContact O-CG 3.32Å; I216-L220 PolarHBondContact O-N 2.88Å |
| 217 | P | 95 | Very high | 94.1 | Very high | 65 Ų | 65 | 77.7 Ų | 77.7 | 42% | 0.422 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.9 | -52.4 | 179.3 | -23.7 | 35.1 | 0 | 0 | 0 | 112.3 | L219 L220 D221 | P217-L219 VanDerWaalsContact C-N 3.25Å; P217-L219 PolarHBondContact O-N 2.95Å; P217-L220 WeakPolarHBondContact O-CA 3.37Å; P217-L220 WeakPolarHBondContact O-CB 3.4Å; P217-L220 PolarHBondContact O-N 3.14Å; P217-D221 VanDerWaalsContact O-CG 3.32Å; P217-D221 PolarHBondContact O-N 3.3Å |
| 218 | Q | 95.5 | Very high | 93.8 | Very high | 46 Ų | 46 | 84 Ų | 84 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -27.6 | -177.7 | -58.7 | 87.6 | -12.3 | 0 | 0 | 113.1 | V178 V181 M222 | V178-Q218 HydrophobicContact CG1-CG 4.4Å; V178-Q218 PolarHBondContact O-NE2 2.96Å; V181-Q218 HydrophobicContact CG2-CB 3.95Å; Q218-M222 WeakPolarHBondContact O-CB 3.37Å; Q218-M222 PolarHBondContact O-N 3.36Å |
| 219 | L | 95.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 89.9 Ų | 89.9 | 4% | 0.042 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 171.4 | -78.3 | 169.1 | 0 | 0 | 0 | 111.9 | V181 L184 Y208 A211 R212 L215 I216 P217 M222 Y223 | V181-L219 HydrophobicContact CB-CD2 4.38Å; V181-L219 HydrophobicContact CG1-CD2 3.96Å; V181-L219 HydrophobicContact CG2-CD2 4.24Å; V181-L219 HydrophobicContact CG2-CG 4.31Å; L184-L219 HydrophobicContact CD2-CD2 4Å; Y208-L219 HydrophobicContact CE2-CD1 4.33Å; Y208-L219 HydrophobicContact CE2-CD2 4.34Å; A211-L219 HydrophobicContact CB-CD1 4.1Å; R212-L219 HydrophobicContact CB-CD1 4.48Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 3.26Å; I216-L219 PolarHBondContact O-N 2.88Å; P217-L219 VanDerWaalsContact C-N 3.25Å; P217-L219 PolarHBondContact O-N 2.95Å; L219-M222 HydrophobicContact CD2-CE 4.46Å; L219-M222 HydrophobicContact CD2-SD 4.49Å; L219-M222 PolarHBondContact O-N 3.14Å; L219-Y223 HydrophobicContact CB-CE2 4.45Å; L219-Y223 WeakPolarHBondContact O-CD2 3.44Å; L219-Y223 PolarHBondContact O-N 2.89Å |
| 220 | L | 96.2 | Very high | 92.9 | Very high | 90 Ų | 90 | 90.2 Ų | 90.2 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 175.6 | -69.8 | 171.2 | 0 | 0 | 0 | 110.9 | I216 P217 M222 Y223 E224 | I216-L220 HydrophobicContact CG2-CD1 3.93Å; I216-L220 HydrophobicContact CG2-CG 4.34Å; I216-L220 WeakPolarHBondContact O-CG 3.32Å; I216-L220 PolarHBondContact O-N 2.88Å; P217-L220 WeakPolarHBondContact O-CA 3.37Å; P217-L220 WeakPolarHBondContact O-CB 3.4Å; P217-L220 PolarHBondContact O-N 3.14Å; L220-M222 PolarHBondContact O-N 3.11Å; L220-Y223 PolarHBondContact O-N 3.37Å; L220-E224 WeakPolarHBondContact O-CG 3.35Å; L220-E224 PolarHBondContact O-N 3.03Å |
| 221 | D | 95.7 | Very high | 92.4 | Very high | 95 Ų | 95 | 94.2 Ų | 94.2 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -53.9 | -42.7 | 176 | -57.8 | -24.8 | 0 | 0 | 0 | 111.6 | P217 C225 | P217-D221 VanDerWaalsContact O-CG 3.32Å; P217-D221 PolarHBondContact O-N 3.3Å; D221-C225 WeakPolarHBondContact O-CB 3.42Å; D221-C225 PolarHBondContact O-N 3.18Å; D221-C225 PolarHBondContact O-SG 3.17Å |
| 222 | M | 95.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 101 Ų | 101 | 6% | 0.064 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 176.7 | -179.4 | -137.2 | 67.2 | 0 | 0 | 111.9 | V181 L184 Q218 L219 L220 H226 | V181-M222 HydrophobicContact CB-SD 4.39Å; V181-M222 HydrophobicContact CG1-SD 3.81Å; L184-M222 HydrophobicContact CD1-CE 3.84Å; L184-M222 HydrophobicContact CG-CE 3.92Å; L184-M222 HydrophobicContact CG-SD 3.93Å; Q218-M222 WeakPolarHBondContact O-CB 3.37Å; Q218-M222 PolarHBondContact O-N 3.36Å; L219-M222 HydrophobicContact CD2-CE 4.46Å; L219-M222 HydrophobicContact CD2-SD 4.49Å; L219-M222 PolarHBondContact O-N 3.14Å; L220-M222 PolarHBondContact O-N 3.11Å; M222-H226 PolarHBondContact O-CD2 3.07Å; M222-H226 PolarHBondContact O-N 2.92Å |
| 223 | Y | 95.3 | Very high | 90 | Very high | 100 Ų | 100 | 101.6 Ų | 101.6 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 175.4 | -77.9 | -56.7 | 0 | 0 | 0 | 112.6 | L184 Y208 L219 L220 H226 L227 | L184-Y223 HydrophobicContact CD1-CE1 3.83Å; L184-Y223 WeakPolarHBondContact CD1-OH 3.35Å; Y208-Y223 PolarHBondContact OH-OH 3.05Å; Y208-Y223 VanDerWaalsContact OH-OH 3.1Å; L219-Y223 HydrophobicContact CB-CE2 4.45Å; L219-Y223 WeakPolarHBondContact O-CD2 3.44Å; L219-Y223 PolarHBondContact O-N 2.89Å; L220-Y223 PolarHBondContact O-N 3.37Å; Y223-H226 CarbonylContact O-C 3.49Å; Y223-H226 PolarHBondContact O-N 2.87Å; Y223-H226 VanDerWaalsContact O-N 3.1Å; Y223-L227 PolarHBondContact O-N 2.92Å |
| 224 | E | 94.9 | Very high | 88.5 | Confident | 140 Ų | 140 | 103.4 Ų | 103.4 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -44 | 176.1 | -71 | 179.5 | -167 | 0 | 0 | 111 | L220 H226 L227 | L220-E224 WeakPolarHBondContact O-CG 3.35Å; L220-E224 PolarHBondContact O-N 3.03Å; E224-H226 PolarHBondContact O-N 2.93Å; E224-L227 PolarHBondContact O-N 2.8Å |
| 225 | C | 92.5 | Very high | 87 | Confident | 106 Ų | 106 | 107 Ų | 107 | 72% | 0.716 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -23.7 | 172.9 | -69.9 | 0 | 0 | 0 | 0 | 114.3 | D221 | D221-C225 WeakPolarHBondContact O-CB 3.42Å; D221-C225 PolarHBondContact O-N 3.18Å; D221-C225 PolarHBondContact O-SG 3.17Å |
| 226 | H | 90.1 | Very high | 85.8 | Confident | 107 Ų | 107 | 115 Ų | 115 | 50% | 0.495 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -103.4 | -3 | -180 | -69.4 | -37.5 | 0 | 0 | 0 | 114.2 | M222 Y223 E224 K228 | M222-H226 PolarHBondContact O-CD2 3.07Å; M222-H226 PolarHBondContact O-N 2.92Å; Y223-H226 CarbonylContact O-C 3.49Å; Y223-H226 PolarHBondContact O-N 2.87Å; Y223-H226 VanDerWaalsContact O-N 3.1Å; E224-H226 PolarHBondContact O-N 2.93Å; H226-K228 PolarHBondContact O-N 3.16Å |
| 227 | L | 91.8 | Very high | 84 | Confident | 107 Ų | 107 | 116.4 Ų | 116.4 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | | | trans | -73.7 | 89.7 | -177.3 | -167.9 | 67.6 | 0 | 0 | 0 | 111.1 | Y223 E224 F229 | Y223-L227 PolarHBondContact O-N 2.92Å; E224-L227 PolarHBondContact O-N 2.8Å; L227-F229 HydrophobicContact CD2-CE1 4.11Å; L227-F229 HydrophobicContact CD2-CE2 4.02Å; L227-F229 HydrophobicContact CD2-CZ 3.52Å; L227-F229 HydrophobicContact CG-CE1 4.47Å; L227-F229 HydrophobicContact CG-CE2 4.24Å; L227-F229 HydrophobicContact CG-CZ 4.07Å |
| 228 | K | 90.3 | Very high | 82 | Confident | 170 Ų | 170 | 118.2 Ų | 118.2 | 74% | 0.739 | 59% | 0.592 | S | S | * | * | | | trans | -87.6 | 109.2 | 171.4 | -66.9 | -177.7 | -179.8 | -177.3 | 0 | 109.5 | H226 Q230 | H226-K228 PolarHBondContact O-N 3.16Å; K228-Q230 PolarHBondContact O-N 3.38Å; K228-Q230 VanDerWaalsContact O-N 3.16Å |
| 229 | F | 86 | Confident | 80.2 | Confident | 169 Ų | 169 | 121.5 Ų | 121.5 | 74% | 0.741 | 63% | 0.627 | S | S | * | * | | | trans | -67.1 | 110.6 | 168.5 | -62.9 | -81.4 | 0 | 0 | 0 | 109.2 | L227 T231 | L227-F229 HydrophobicContact CD2-CE1 4.11Å; L227-F229 HydrophobicContact CD2-CE2 4.02Å; L227-F229 HydrophobicContact CD2-CZ 3.52Å; L227-F229 HydrophobicContact CG-CE1 4.47Å; L227-F229 HydrophobicContact CG-CE2 4.24Å; L227-F229 HydrophobicContact CG-CZ 4.07Å; F229-T231 PolarHBondContact O-N 2.83Å |
| 230 | Q | 83.7 | Confident | 78.2 | Confident | 127 Ų | 127 | 125 Ų | 125 | 59% | 0.593 | 66% | 0.657 | S | S | * | * | | | trans | -70.9 | 113.8 | 162.1 | -70.6 | -179.1 | -10.4 | 0 | 0 | 106.7 | K228 D232 | K228-Q230 PolarHBondContact O-N 3.38Å; K228-Q230 VanDerWaalsContact O-N 3.16Å; Q230-D232 PolarHBondContact O-N 3.02Å; Q230-D232 VanDerWaalsContact O-N 3.16Å |
| 231 | T | 82.1 | Confident | 76.1 | Confident | 121 Ų | 121 | 128.9 Ų | 128.9 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | | | trans | -79.5 | 91.5 | 169.9 | 48.7 | 0 | 0 | 0 | 0 | 107.3 | F229 K233 | F229-T231 PolarHBondContact O-N 2.83Å; T231-K233 PolarHBondContact O-N 3.28Å |
| 232 | D | 72.5 | Confident | 73.9 | Confident | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | | | trans | -70.7 | 55.6 | 178.4 | -60.4 | -30.6 | 0 | 0 | 0 | 111.7 | Q230 | Q230-D232 PolarHBondContact O-N 3.02Å; Q230-D232 VanDerWaalsContact O-N 3.16Å |
| 233 | K | 65.8 | Low | 72.3 | Confident | 171 Ų | 171 | 136.2 Ų | 136.2 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | -149.8 | 51.9 | -178.3 | -66 | -163.7 | 177.7 | -168.3 | 0 | 110.7 | T231 E235 | T231-K233 PolarHBondContact O-N 3.28Å; K233-E235 PolarHBondContact O-N 2.76Å |
| 234 | E | 61.1 | Low | 70.2 | Confident | 196 Ų | 196 | 139.5 Ų | 139.5 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | | | trans | -68.2 | 85.2 | 138.7 | -75.4 | -167.1 | 166.5 | 0 | 0 | 106.8 | K236 | E234-K236 PolarHBondContact O-N 2.95Š|
| 235 | E | 60.2 | Low | 68.2 | Low | 164 Ų | 164 | 140.5 Ų | 140.5 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | -58.7 | 95.3 | 155.7 | -77.5 | -175.7 | 167.1 | 0 | 0 | 106.4 | K233 | K233-E235 PolarHBondContact O-N 2.76Š|
| 236 | K | 67.8 | Low | 66.4 | Low | 187 Ų | 187 | 141.8 Ų | 141.8 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | -33.8 | 110.9 | 166.6 | -177.9 | -178.3 | -169.7 | 175.4 | 0 | 107.9 | E234 S238 | E234-K236 PolarHBondContact O-N 2.95Å; K236-S238 PolarHBondContact O-N 3.4Å |
| 237 | P | 57.9 | Low | 64.6 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -59.9 | 110 | -170.4 | 21.4 | -32.4 | 0 | 0 | 0 | 108.1 | A239 | P237-A239 PolarHBondContact O-N 3.01Š|
| 238 | S | 51 | Low | 62.5 | Low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | -62 | 121.6 | 175.2 | 43.9 | 0 | 0 | 0 | 0 | 106.6 | K236 A240 | K236-S238 PolarHBondContact O-N 3.4Å; S238-A240 PolarHBondContact O-N 3.37Å |
| 239 | A | 57.7 | Low | 60.2 | Low | 114 Ų | 114 | 142.5 Ų | 142.5 | 94% | 0.942 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -74.8 | 56.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P237 | P237-A239 PolarHBondContact O-N 3.01Š|
| 240 | A | 53.7 | Low | 58.5 | Low | 82 Ų | 82 | 140.3 Ų | 140.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -152.7 | 41.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S238 | S238-A240 PolarHBondContact O-N 3.37Š|
| 241 | E | 51.8 | Low | 56.4 | Low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -147.4 | 74.6 | 152.6 | -137.1 | 161.2 | -155.7 | 0 | 0 | 112.5 | V243 | E241-V243 HydrophobicContact CG-CB 4.18Å; E241-V243 HydrophobicContact CG-CG2 3.79Å; E241-V243 PolarHBondContact O-N 2.96Å; E241-V243 VanDerWaalsContact O-N 3.12Å |
| 242 | T | 51.5 | Low | 54.8 | Low | 150 Ų | 150 | 141 Ų | 141 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | | | trans | -75.1 | 78.2 | 154 | 50.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 243 | V | 60.1 | Low | 53.5 | Low | 111 Ų | 111 | 142.7 Ų | 142.7 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | | | trans | -125.4 | 133.5 | 167.3 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | E241 D245 | E241-V243 HydrophobicContact CG-CB 4.18Å; E241-V243 HydrophobicContact CG-CG2 3.79Å; E241-V243 PolarHBondContact O-N 2.96Å; E241-V243 VanDerWaalsContact O-N 3.12Å; V243-D245 PolarHBondContact O-N 3.31Å |
| 244 | E | 51.9 | Low | 52.7 | Low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -79.1 | 109.4 | -166.7 | -55.9 | 177.3 | 158.9 | 0 | 0 | 111.4 | | |
| 245 | D | 52.8 | Low | 52.2 | Low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -117.8 | 80.5 | 157.6 | -96.5 | -40.1 | 0 | 0 | 0 | 110.2 | V243 L247 | V243-D245 PolarHBondContact O-N 3.31Å; D245-L247 PolarHBondContact O-N 3.36Å |
| 246 | N | 53.7 | Low | 52.2 | Low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | -61.1 | 115.4 | 157.8 | -73.6 | -88.7 | 0 | 0 | 0 | 108.3 | | |
| 247 | L | 52.6 | Low | 52 | Low | 161 Ų | 161 | 134.8 Ų | 134.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -175.9 | 121.1 | 143.9 | -99 | 152.4 | 0 | 0 | 0 | 113.2 | D245 | D245-L247 PolarHBondContact O-N 3.36Š|
| 248 | S | 47.6 | Very low | 51.8 | Low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | 77.7 | 68.6 | 143.4 | -47.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 249 | T | 43.8 | Very low | 51.8 | Low | 134 Ų | 134 | 136.6 Ų | 136.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -131.7 | 129.3 | 137.2 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 250 | P | 48.2 | Very low | 51.6 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -77.5 | 130 | -177.2 | 30.1 | -33.4 | 0 | 0 | 0 | 111.5 | V252 | P250-V252 PolarHBondContact O-N 3.49Š|
| 251 | T | 40.3 | Very low | 51.4 | Low | 128 Ų | 128 | 142.9 Ų | 142.9 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -60.5 | 122.6 | 174.1 | -28.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 252 | V | 48.8 | Very low | 51.6 | Low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -102 | 105.8 | 160.3 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | P250 A254 | P250-V252 PolarHBondContact O-N 3.49Å; V252-A254 PolarHBondContact O-N 3.12Å |
| 253 | E | 45.1 | Very low | 51.5 | Low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -67.7 | 125.4 | 173.6 | -62.4 | 177.1 | 139.4 | 0 | 0 | 109.4 | | |
| 254 | A | 48.8 | Very low | 51.3 | Low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -126.9 | 110.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V252 | V252-A254 PolarHBondContact O-N 3.12Š|
| 255 | E | 51.5 | Low | 51 | Low | 194 Ų | 194 | 137.4 Ų | 137.4 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | | | trans | -61.8 | 135.7 | -173.4 | -62.7 | 171.2 | 112.4 | 0 | 0 | 112.2 | P257 | E255-P257 WeakPolarHBondContact O-CD 3.37Š|
| 256 | I | 59.5 | Low | 51 | Low | 159 Ų | 159 | 138.6 Ų | 138.6 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | -98.9 | 111 | 168.1 | -59.7 | 170.7 | 0 | 0 | 0 | 107.7 | | |
| 257 | P | 64.1 | Low | 50.7 | Low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | | | trans | -74.4 | 143.5 | 169.7 | 30.2 | -32.7 | 0 | 0 | 0 | 110.7 | E255 | E255-P257 WeakPolarHBondContact O-CD 3.37Š|
| 258 | P | 54.1 | Low | 50.8 | Low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -85.2 | 159 | -167.6 | 33.6 | -37.3 | 0 | 0 | 0 | 115.1 | | |
| 259 | D | 50.4 | Low | 50.8 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | 0.7 | 114.8 | 158.8 | -95.6 | -45.4 | 0 | 0 | 0 | 118 | | |
| 260 | V | 53.2 | Low | 51.3 | Low | 135 Ų | 135 | 141.2 Ų | 141.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -123.4 | 103.1 | 156.8 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 261 | K | 49.7 | Very low | 51.4 | Low | 193 Ų | 193 | 142.4 Ų | 142.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -77.1 | 119.2 | 168.4 | -68.6 | 172.5 | 178.6 | 169.7 | 0 | 109.5 | | |
| 262 | A | 55.2 | Low | 52.1 | Low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | -153.5 | 114.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 263 | D | 50.7 | Low | 52.4 | Low | 166 Ų | 166 | 139.8 Ų | 139.8 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | 24.8 | 119 | 155 | -65.2 | -45.3 | 0 | 0 | 0 | 123.6 | | |
| 264 | V | 55.1 | Low | 53.2 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -76.1 | 169.1 | 149.2 | 175.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 265 | P | 46.6 | Very low | 53.1 | Low | 102 Ų | 102 | 138.8 Ų | 138.8 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | cis | -128.7 | 172.5 | -4 | 18.3 | 7 | 0 | 0 | 0 | 115.6 | | |
| 266 | K | 52.7 | Low | 53.4 | Low | 188 Ų | 188 | 136.2 Ų | 136.2 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | | 179.8 | 134.6 | 109.7 | -98.4 | 169.2 | -177.9 | 174.1 | 0 | 115.4 | | |
| 267 | T | 46.1 | Very low | 52.8 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -44.1 | 136.7 | 160.3 | 43.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 268 | I | 54.5 | Low | 51.8 | Low | 153 Ų | 153 | 133.6 Ų | 133.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -133.8 | 114.8 | 152.5 | -62.8 | -177.8 | 0 | 0 | 0 | 108.1 | | |
| 269 | E | 48.6 | Very low | 51.8 | Low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -90.5 | 134.5 | 163.5 | -63.6 | 177.5 | 135.2 | 0 | 0 | 108.8 | | |
| 270 | T | 53.9 | Low | 51.9 | Low | 120 Ų | 120 | 136.9 Ų | 136.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -167.9 | 99.9 | 165.4 | -17.7 | 0 | 0 | 0 | 0 | 104.8 | | |
| 271 | D | 49.5 | Very low | 52.1 | Low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | | 56.2 | 90 | 52.1 | -162.2 | 27.9 | 0 | 0 | 0 | 114.5 | | |
| 272 | A | 55.8 | Low | 52.2 | Low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | 170.7 | 117.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 273 | P | 55.2 | Low | 51.7 | Low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -101.7 | 141.2 | 160 | 35.1 | -27.9 | 0 | 0 | 0 | 111.4 | | |
| 274 | P | 61.6 | Low | 51.9 | Low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -115.5 | 116.5 | 159.2 | 31.8 | -20.7 | 0 | 0 | 0 | 112.3 | | |
| 275 | T | 46.5 | Very low | 51.7 | Low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -45.4 | 133.3 | 161.5 | -35.4 | 0 | 0 | 0 | 0 | 112.1 | T277 | T275-T277 HydrophobicContact CG2-CG2 4.25Š|
| 276 | V | 58.2 | Low | 51.8 | Low | 141 Ų | 141 | 135.9 Ų | 135.9 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | -128 | 120.5 | 159.1 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 277 | T | 46.3 | Very low | 51.6 | Low | 108 Ų | 108 | 135.3 Ų | 135.3 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | | | trans | -95.6 | 136.6 | -176.1 | 44.3 | 0 | 0 | 0 | 0 | 112 | T275 | T275-T277 HydrophobicContact CG2-CG2 4.25Š|
| 278 | S | 44.9 | Very low | 51.7 | Low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | 40.1 | 121.1 | 145 | 63.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 279 | E | 53.4 | Low | 51.4 | Low | 199 Ų | 199 | 139.2 Ų | 139.2 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | | -147.1 | 162.6 | 121.2 | -121.7 | 178.1 | -175.2 | 0 | 0 | 111.5 | | |
| 280 | V | 51.9 | Low | 51.3 | Low | 134 Ų | 134 | 138.6 Ų | 138.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -132.5 | 153 | -159.3 | 155.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 281 | P | 58.1 | Low | 50.8 | Low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | | | trans | -94.6 | -168.2 | -150.5 | 39.5 | -36.8 | 0 | 0 | 0 | 114.1 | | |
| 282 | P | 51.1 | Low | 50.9 | Low | 129 Ų | 129 | 138.1 Ų | 138.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | | -148.9 | -179.6 | 104.3 | 39.2 | -22 | 0 | 0 | 0 | 116.8 | | |
| 283 | A | 45.2 | Very low | 50.5 | Low | 98 Ų | 98 | 143.4 Ų | 143.4 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -72.6 | 147.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 284 | V | 55.2 | Low | 50.3 | Low | 141 Ų | 141 | 141.5 Ų | 141.5 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -161.9 | 142.3 | 163.7 | 162.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 285 | V | 51.4 | Low | 49.8 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | | | cis | -156.6 | 167.7 | -16.1 | 132.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 286 | E | 47 | Very low | 50.2 | Low | 184 Ų | 184 | 146.3 Ų | 146.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -81.8 | 135.7 | 170.9 | -59.7 | 176 | 123.3 | 0 | 0 | 113.5 | | |
| 287 | E | 49.7 | Very low | 49.5 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | | | trans | -162.4 | 120.2 | 150.6 | -110 | 179.3 | 169.5 | 0 | 0 | 106.3 | | |
| 288 | K | 47.8 | Very low | 49.5 | Very low | 191 Ų | 191 | 148 Ų | 148 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | | | cis | 79.6 | 88.6 | 43.5 | -146.3 | -168.6 | -164.6 | -167 | 0 | 114 | | |
| 289 | M | 48.2 | Very low | 50.1 | Low | 171 Ų | 171 | 151.2 Ų | 151.2 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | | | trans | -173.3 | 113 | 158.6 | -96.3 | 161.5 | -125.2 | 0 | 0 | 104 | | |
| 290 | E | 46.2 | Very low | 50.9 | Low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | cis | 74 | 127.9 | 47 | -156.6 | 173.6 | -176 | 0 | 0 | 113.8 | | |
| 291 | T | 42.9 | Very low | 51.7 | Low | 129 Ų | 129 | 146.1 Ų | 146.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | | | trans | 69.9 | 149.7 | -175.8 | 78 | 0 | 0 | 0 | 0 | 115 | | |
| 292 | T | 52.2 | Low | 52 | Low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | | | cis | -134.5 | 164.3 | 9.9 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 293 | E | 46.6 | Very low | 53.1 | Low | 200 Ų | 200 | 149 Ų | 149 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | trans | -58.7 | 152.1 | 168.6 | -58.1 | 172.1 | 150.7 | 0 | 0 | 112.3 | | |
| 294 | G | 51.2 | Low | 53.4 | Low | 78 Ų | 78 | 153.8 Ų | 153.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -166.1 | 87.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 295 | E | 51.9 | Low | 53.7 | Low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -64.4 | 133.5 | -179.4 | -55.1 | 159.4 | 123.7 | 0 | 0 | 111.4 | | |
| 296 | N | 55.5 | Low | 53.8 | Low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | | | | -160.6 | 126.8 | 129.7 | -118.8 | -43.9 | 0 | 0 | 0 | 115 | | |
| 297 | C | 42.1 | Very low | 54.3 | Low | 110 Ų | 110 | 149.1 Ų | 149.1 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | | | trans | -57.3 | 149 | 173.2 | -51.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 298 | L | 47.8 | Very low | 54.4 | Low | 173 Ų | 173 | 147 Ų | 147 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -163.8 | 102.2 | 134 | -106.5 | 157.5 | 0 | 0 | 0 | 110.6 | | |
| 299 | H | 57.6 | Low | 54.9 | Low | 173 Ų | 173 | 148.4 Ų | 148.4 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 146.1 | 173.7 | -126.7 | -79.5 | 0 | 0 | 0 | 110.2 | | |
| 300 | P | 70.4 | Confident | 55 | Low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 153.2 | 144.8 | 33.6 | -28.1 | 0 | 0 | 0 | 110.6 | | |
| 301 | P | 67 | Low | 55.5 | Low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 149.3 | -176 | 33.2 | -35.1 | 0 | 0 | 0 | 113.4 | | |
| 302 | E | 66.1 | Low | 56 | Low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 146.6 | 167.8 | -61.9 | -174 | 156.8 | 0 | 0 | 111.2 | E304 | E302-E304 PolarHBondContact O-N 3.2Š|
| 303 | P | 72.4 | Confident | 56.1 | Low | 125 Ų | 125 | 142.5 Ų | 142.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -84.5 | 108.6 | 169.1 | 31.8 | -30.6 | 0 | 0 | 0 | 111.1 | G305 | P303-G305 PolarHBondContact O-N 3.38Š|
| 304 | E | 52.1 | Low | 56.5 | Low | 200 Ų | 200 | 141.3 Ų | 141.3 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | | | trans | -62.4 | 121.2 | 165.1 | -66.2 | -178.3 | 166.4 | 0 | 0 | 109.7 | E302 | E302-E304 PolarHBondContact O-N 3.2Š|
| 305 | G | 62 | Low | 57 | Low | 61 Ų | 61 | 145.1 Ų | 145.1 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | -143.7 | 64.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P303 C307 | P303-G305 PolarHBondContact O-N 3.38Å; G305-C307 PolarHBondContact O-N 2.98Å |
| 306 | E | 54.1 | Low | 57 | Low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -62.4 | 97.3 | -179.7 | -64.3 | -170.3 | 155 | 0 | 0 | 113.1 | N308 | E306-N308 PolarHBondContact O-N 3.11Š|
| 307 | C | 56.1 | Low | 57.1 | Low | 119 Ų | 119 | 147.3 Ų | 147.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -92.8 | 83.3 | 170.5 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | G305 Y309 | G305-C307 PolarHBondContact O-N 2.98Å; C307-Y309 PolarHBondContact O-N 3.23Å |
| 308 | N | 52.3 | Low | 57.9 | Low | 132 Ų | 132 | 149.2 Ų | 149.2 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -65.7 | 96.5 | 171.7 | -81.5 | -62.9 | 0 | 0 | 0 | 111.4 | E306 V310 | E306-N308 PolarHBondContact O-N 3.11Å; N308-V310 PolarHBondContact O-N 3.21Å |
| 309 | Y | 59.3 | Low | 58.5 | Low | 222 Ų | 222 | 147.9 Ų | 147.9 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | trans | -89.4 | 94.6 | 171.3 | -119.6 | -86.3 | 0 | 0 | 0 | 111.3 | C307 | C307-Y309 PolarHBondContact O-N 3.23Š|
| 310 | V | 48.5 | Very low | 58.5 | Low | 119 Ų | 119 | 146.4 Ų | 146.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -90.1 | 111.4 | 172.2 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | N308 V312 | N308-V310 PolarHBondContact O-N 3.21Å; V310-V312 HydrophobicContact CG1-CG2 4.37Å |
| 311 | A | 57.6 | Low | 57.8 | Low | 89 Ų | 89 | 149.1 Ų | 149.1 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | -132.5 | 84.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 312 | V | 53.3 | Low | 57.2 | Low | 111 Ų | 111 | 150.8 Ų | 150.8 | 67% | 0.673 | 81% | 0.811 | S | S | * | * | | | | 65.2 | 95.4 | 86.4 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | V310 | V310-V312 HydrophobicContact CG1-CG2 4.37Š|
| 313 | E | 54.4 | Low | 56.5 | Low | 158 Ų | 158 | 149.1 Ų | 149.1 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | | | trans | 43.8 | 124.2 | 140.9 | -54.2 | -168.6 | 137.2 | 0 | 0 | 122.5 | | |
| 314 | Q | 55.7 | Low | 55.3 | Low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | | 156.6 | 97.8 | 118.9 | -84 | 167.3 | 25.1 | 0 | 0 | 107.4 | | |
| 315 | I | 60.5 | Low | 55.6 | Low | 157 Ų | 157 | 146.9 Ų | 146.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | | 45.1 | 78.8 | 77.1 | -47.8 | -177 | 0 | 0 | 0 | 113 | | |
| 316 | L | 53.1 | Low | 55 | Low | 244 Ų | 244 | 154.7 Ų | 154.7 | 100% | 1.277 | 82% | 0.816 | S | S | * | * | | | trans | -167.3 | 0 | 130.2 | -105.8 | 164.7 | 0 | 0 | 0 | 111.8 | | |