| 1 | M | 50.1 | Low | 49.5 | Very low | 240 Ų | 240 | 149.2 Ų | 149.2 | 100% | 1.182 | 84% | 0.839 | S | S | * | * | | | | 0 | 122.2 | 0 | -64.4 | -161.4 | -164.9 | 0 | 0 | 107.9 | | |
| 2 | H | 53.6 | Low | 49.6 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | | | trans | -76.6 | 122.8 | 175.6 | -108.3 | -87.4 | 0 | 0 | 0 | 109.2 | | |
| 3 | L | 51.8 | Low | 49.4 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | | | trans | -129.8 | 99.1 | 161.9 | -79.4 | 168.6 | 0 | 0 | 0 | 108.1 | | |
| 4 | C | 50.9 | Low | 49.5 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 73% | 0.73 | 83% | 0.832 | S | S | * | * | | | trans | -78 | 123.1 | 165 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 5 | M | 51.8 | Low | 49.5 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 84% | 0.837 | 83% | 0.831 | S | S | * | * | | | trans | -137.4 | 139.3 | 163.8 | -88.9 | -75.8 | 127.5 | 0 | 0 | 108.5 | | |
| 6 | P | 51.4 | Low | 49.4 | Very low | 112 Ų | 112 | 152.6 Ų | 152.6 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | | | trans | -81.7 | 132.4 | -159.8 | 31.6 | -34.2 | 0 | 0 | 0 | 112.7 | A8 | P6-A8 PolarHBondContact O-N 3.19Š|
| 7 | Q | 48.1 | Very low | 49.3 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | | | trans | -67.3 | 107.6 | 170.3 | -105.9 | 177.1 | -6.6 | 0 | 0 | 110.3 | F9 | Q7-F9 HydrophobicContact CB-CD2 4.03Å; Q7-F9 HydrophobicContact CB-CE2 4.42Å; Q7-F9 HydrophobicContact CG-CD2 3.99Å; Q7-F9 HydrophobicContact CG-CE2 3.86Å; Q7-F9 PolarHBondContact O-N 3.03Å |
| 8 | A | 45.8 | Very low | 48.8 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | | | trans | -77.9 | 97.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P6 | P6-A8 PolarHBondContact O-N 3.19Š|
| 9 | F | 45.6 | Very low | 48.5 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 74% | 0.737 | 83% | 0.829 | S | S | * | * | | | trans | -118.2 | 112.2 | 168.8 | -89.6 | -80.1 | 0 | 0 | 0 | 109.8 | Q7 | Q7-F9 HydrophobicContact CB-CD2 4.03Å; Q7-F9 HydrophobicContact CB-CE2 4.42Å; Q7-F9 HydrophobicContact CG-CD2 3.99Å; Q7-F9 HydrophobicContact CG-CE2 3.86Å; Q7-F9 PolarHBondContact O-N 3.03Å |
| 10 | A | 45.8 | Very low | 48.5 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | trans | -177.6 | 78.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S12 | A10-S12 PolarHBondContact O-N 3.33Å; A10-S12 VanDerWaalsContact O-N 3.1Å |
| 11 | S | 49.1 | Very low | 48.4 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -64 | 99.8 | 163.8 | 151.4 | 0 | 0 | 0 | 0 | 108.7 | K13 | S11-K13 PolarHBondContact O-N 3.29Š|
| 12 | S | 50.9 | Low | 48.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 120 | 171.8 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | A10 | A10-S12 PolarHBondContact O-N 3.33Å; A10-S12 VanDerWaalsContact O-N 3.1Å |
| 13 | K | 46.6 | Very low | 48.2 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 137.8 | -179.9 | -68.5 | 178.5 | 177.2 | 177.7 | 0 | 110.3 | S11 K15 | S11-K13 PolarHBondContact O-N 3.29Å; K13-K15 PolarHBondContact O-N 3.49Å |
| 14 | P | 51.1 | Low | 48.3 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 118.2 | 177.1 | 26.2 | -32.1 | 0 | 0 | 0 | 109.9 | E16 | P14-E16 PolarHBondContact O-N 3.34Š|
| 15 | K | 50.4 | Low | 48.5 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 123 | 174.8 | -71.7 | 175.6 | 177.5 | 174.2 | 0 | 109.1 | K13 S17 | K13-K15 PolarHBondContact O-N 3.49Å; K15-S17 PolarHBondContact O-N 3.21Å |
| 16 | E | 47.7 | Very low | 48.7 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 122.1 | 172.6 | -83 | 173.8 | 129.9 | 0 | 0 | 110.6 | P14 C18 | P14-E16 PolarHBondContact O-N 3.34Å; E16-C18 PolarHBondContact O-N 3.44Å |
| 17 | S | 47.7 | Very low | 48.9 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -65.1 | 100.7 | 172.4 | 170.9 | 0 | 0 | 0 | 0 | 109.2 | K15 K19 | K15-S17 PolarHBondContact O-N 3.21Å; S17-K19 PolarHBondContact O-N 3.17Å |
| 18 | C | 39.7 | Very low | 49.5 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -60 | 102 | 166.3 | -72.1 | 0 | 0 | 0 | 0 | 108.8 | E16 V20 | E16-C18 PolarHBondContact O-N 3.44Å; C18-V20 VanDerWaalsContact C-N 3.35Å; C18-V20 PolarHBondContact O-N 3.43Å |
| 19 | K | 43.2 | Very low | 50.3 | Low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | | | trans | -55.8 | 98.8 | 163.3 | -90.1 | 173.3 | 175.5 | 172.1 | 0 | 108.3 | S17 P21 | S17-K19 PolarHBondContact O-N 3.17Å; K19-P21 VanDerWaalsContact O-CD 3.32Å; K19-P21 WeakPolarHBondContact O-CD 3.08Å |
| 20 | V | 49.4 | Very low | 51.2 | Low | 120 Ų | 120 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -65.8 | 117.3 | 169.1 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | C18 T22 | C18-V20 VanDerWaalsContact C-N 3.35Å; C18-V20 PolarHBondContact O-N 3.43Å; V20-T22 PolarHBondContact O-N 3.47Å; V20-T22 VanDerWaalsContact O-N 3.08Å |
| 21 | P | 44.9 | Very low | 52.1 | Low | 98 Ų | 98 | 139.9 Ų | 139.9 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | trans | -64.2 | 117.2 | 176.8 | 24.8 | -30.8 | 0 | 0 | 0 | 108.3 | K19 Q23 | K19-P21 VanDerWaalsContact O-CD 3.32Å; K19-P21 WeakPolarHBondContact O-CD 3.08Å; P21-Q23 PolarHBondContact O-N 3.48Å |
| 22 | T | 53.9 | Low | 52.6 | Low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | | | trans | -64.7 | 80.6 | 168.8 | -47.2 | 0 | 0 | 0 | 0 | 107.8 | V20 S24 | V20-T22 PolarHBondContact O-N 3.47Å; V20-T22 VanDerWaalsContact O-N 3.08Å; T22-S24 VanDerWaalsContact C-N 3.34Å; T22-S24 PolarHBondContact O-N 3.13Å |
| 23 | Q | 47.2 | Very low | 53.3 | Low | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | -64.9 | 103.6 | 165.6 | -71.9 | -164.6 | 2.1 | 0 | 0 | 106.3 | P21 R25 | P21-Q23 PolarHBondContact O-N 3.48Å; Q23-R25 VanDerWaalsContact C-N 3.32Å; Q23-R25 PolarHBondContact O-N 3.06Å |
| 24 | S | 52.5 | Low | 54.1 | Low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | | | trans | -52.2 | 104.3 | 166.1 | 62.7 | 0 | 0 | 0 | 0 | 106 | T22 Q26 | T22-S24 VanDerWaalsContact C-N 3.34Å; T22-S24 PolarHBondContact O-N 3.13Å; S24-Q26 PolarHBondContact O-N 3.33Å |
| 25 | R | 55.5 | Low | 54.6 | Low | 240 Ų | 240 | 133.9 Ų | 133.9 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | | | trans | -62.7 | 93.5 | 175.8 | -71.5 | -177.6 | 175.7 | -173.1 | -1 | 106.1 | Q23 L27 | Q23-R25 VanDerWaalsContact C-N 3.32Å; Q23-R25 PolarHBondContact O-N 3.06Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.18Å |
| 26 | Q | 55.8 | Low | 54.9 | Low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | | | trans | -58.4 | 107.5 | 164.8 | -75 | -149.2 | 7.7 | 0 | 0 | 105.7 | S24 R28 | S24-Q26 PolarHBondContact O-N 3.33Å; Q26-R28 PolarHBondContact O-N 3.24Å; Q26-R28 VanDerWaalsContact O-N 3.15Å |
| 27 | L | 55.4 | Low | 55.4 | Low | 110 Ų | 110 | 124 Ų | 124 | 58% | 0.576 | 66% | 0.663 | S | S | * | * | | | trans | -54.2 | 122 | 175.1 | -81.4 | 151.4 | 0 | 0 | 0 | 106.8 | R25 I31 V32 | R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.18Å; L27-I31 HydrophobicContact CD2-CB 4.34Å; L27-I31 HydrophobicContact CD2-CD1 4.09Å; L27-I31 HydrophobicContact CD2-CG2 3.97Å; L27-V32 HydrophobicContact CB-CG2 4.38Å |
| 28 | R | 62.1 | Low | 55.9 | Low | 194 Ų | 194 | 127.8 Ų | 127.8 | 73% | 0.732 | 66% | 0.66 | S | S | * | * | | | trans | -51.8 | 134.5 | 176 | -68.3 | -176.9 | 175.4 | -175.6 | -1.6 | 107.9 | Q26 S30 I31 | Q26-R28 PolarHBondContact O-N 3.24Å; Q26-R28 VanDerWaalsContact O-N 3.15Å; R28-S30 PolarHBondContact O-N 3.39Å; R28-I31 PolarHBondContact O-N 3.46Å |
| 29 | P | 61.9 | Low | 56.8 | Low | 108 Ų | 108 | 130.8 Ų | 130.8 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -55.1 | -22.8 | -172.8 | 14.6 | -27.8 | 0 | 0 | 0 | 113.9 | I31 V32 L33 | P29-I31 VanDerWaalsContact C-N 3.33Å; P29-I31 PolarHBondContact O-N 3.19Å; P29-V32 PolarHBondContact O-N 3.36Å; P29-L33 PolarHBondContact O-N 3.43Å |
| 30 | S | 64.9 | Low | 57.5 | Low | 74 Ų | 74 | 130.9 Ų | 130.9 | 52% | 0.517 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -62.1 | -33.3 | 173.2 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | R28 I34 | R28-S30 PolarHBondContact O-N 3.39Å; S30-I34 WeakPolarHBondContact O-CG1 3.49Å; S30-I34 PolarHBondContact O-N 2.87Å |
| 31 | I | 63.8 | Low | 57.9 | Low | 74 Ų | 74 | 128.7 Ų | 128.7 | 38% | 0.379 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.9 | -37.9 | -179.2 | -61.3 | 172.5 | 0 | 0 | 0 | 110.5 | L27 R28 P29 L33 I34 I35 | L27-I31 HydrophobicContact CD2-CB 4.34Å; L27-I31 HydrophobicContact CD2-CD1 4.09Å; L27-I31 HydrophobicContact CD2-CG2 3.97Å; R28-I31 PolarHBondContact O-N 3.46Å; P29-I31 VanDerWaalsContact C-N 3.33Å; P29-I31 PolarHBondContact O-N 3.19Å; I31-L33 VanDerWaalsContact C-N 3.29Å; I31-L33 PolarHBondContact O-N 3.41Å; I31-I34 PolarHBondContact O-N 2.91Å; I31-I35 HydrophobicContact CG2-CD1 4.08Å; I31-I35 WeakPolarHBondContact O-CG1 3.43Å; I31-I35 PolarHBondContact O-N 2.85Å |
| 32 | V | 60.8 | Low | 58.3 | Low | 77 Ų | 77 | 127.5 Ų | 127.5 | 47% | 0.467 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61.1 | -41.8 | 178.2 | -178 | 0 | 0 | 0 | 0 | 110.6 | L27 P29 I34 I35 E36 | L27-V32 HydrophobicContact CB-CG2 4.38Å; P29-V32 PolarHBondContact O-N 3.36Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.4Å; V32-I35 PolarHBondContact O-N 2.87Å; V32-E36 PolarHBondContact O-N 3.42Å |
| 33 | L | 65.1 | Low | 58 | Low | 131 Ų | 131 | 126.2 Ų | 126.2 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.4 | -37.3 | 177.3 | -115.8 | 145.8 | 0 | 0 | 0 | 112.9 | P29 I31 A37 | P29-L33 PolarHBondContact O-N 3.43Å; I31-L33 VanDerWaalsContact C-N 3.29Å; I31-L33 PolarHBondContact O-N 3.41Å; L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 3.16Å; L33-A37 VanDerWaalsContact O-N 3.13Å |
| 34 | I | 63.7 | Low | 58.2 | Low | 100 Ų | 100 | 125 Ų | 125 | 51% | 0.513 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.7 | -38.2 | 177.8 | -64.3 | 167.2 | 0 | 0 | 0 | 111.2 | S30 I31 V32 A37 R38 | S30-I34 WeakPolarHBondContact O-CG1 3.49Å; S30-I34 PolarHBondContact O-N 2.87Å; I31-I34 PolarHBondContact O-N 2.91Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.4Å; I34-A37 PolarHBondContact O-N 3.05Å; I34-R38 PolarHBondContact O-N 3.15Å; I34-R38 VanDerWaalsContact O-N 3.16Å |
| 35 | I | 60.5 | Low | 57.9 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 55% | 0.549 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.9 | -44.1 | 179.3 | -63.4 | 168.6 | 0 | 0 | 0 | 110.5 | I31 V32 A37 R38 K39 | I31-I35 HydrophobicContact CG2-CD1 4.08Å; I31-I35 WeakPolarHBondContact O-CG1 3.43Å; I31-I35 PolarHBondContact O-N 2.85Å; V32-I35 PolarHBondContact O-N 2.87Å; I35-A37 PolarHBondContact O-N 2.91Å; I35-R38 PolarHBondContact O-N 3.39Å; I35-K39 PolarHBondContact O-N 3.17Å |
| 36 | E | 58.2 | Low | 57.5 | Low | 107 Ų | 107 | 118.5 Ų | 118.5 | 50% | 0.5 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.3 | -45 | 174.7 | -93.5 | -103.6 | 146.6 | 0 | 0 | 112 | V32 R38 K39 R40 | V32-E36 PolarHBondContact O-N 3.42Å; E36-R38 VanDerWaalsContact C-N 3.35Å; E36-R38 PolarHBondContact O-N 3.15Å; E36-K39 PolarHBondContact O-N 3.13Å; E36-R40 PolarHBondContact O-N 3.2Å; E36-R40 IonicContact OE2-NE 3.95Å; E36-R40 IonicContact OE2-NH2 3.33Å; E36-R40 PolarHBondContact OE2-NH2 3.31Å |
| 37 | A | 57.1 | Low | 57 | Low | 59 Ų | 59 | 118.3 Ų | 118.3 | 49% | 0.488 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -63.2 | -39.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L33 I34 I35 K39 R40 A41 | L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 3.16Å; L33-A37 VanDerWaalsContact O-N 3.13Å; I34-A37 PolarHBondContact O-N 3.05Å; I35-A37 PolarHBondContact O-N 2.91Å; A37-K39 VanDerWaalsContact C-N 3.31Å; A37-K39 PolarHBondContact O-N 3.49Å; A37-R40 PolarHBondContact O-N 2.74Å; A37-A41 PolarHBondContact O-N 3.34Å; A37-A41 VanDerWaalsContact O-N 3.15Å |
| 38 | R | 58.4 | Low | 56.5 | Low | 194 Ų | 194 | 116.5 Ų | 116.5 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.1 | -33.6 | 176.7 | -76 | -175.3 | 175.2 | -174.8 | -0.8 | 112.6 | I34 I35 E36 R40 A41 A42 | I34-R38 PolarHBondContact O-N 3.15Å; I34-R38 VanDerWaalsContact O-N 3.16Å; I35-R38 PolarHBondContact O-N 3.39Å; E36-R38 VanDerWaalsContact C-N 3.35Å; E36-R38 PolarHBondContact O-N 3.15Å; R38-R40 VanDerWaalsContact C-N 3.33Å; R38-R40 PolarHBondContact O-N 2.84Å; R38-A41 PolarHBondContact O-N 3.39Å; R38-A42 PolarHBondContact O-N 2.87Å |
| 39 | K | 58.8 | Low | 56.1 | Low | 176 Ų | 176 | 113.2 Ų | 113.2 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69 | -32.1 | 178.3 | -161 | 174 | -178.4 | -178.1 | 0 | 112.4 | I35 E36 A37 | I35-K39 PolarHBondContact O-N 3.17Å; E36-K39 PolarHBondContact O-N 3.13Å; A37-K39 VanDerWaalsContact C-N 3.31Å; A37-K39 PolarHBondContact O-N 3.49Å |
| 40 | R | 58 | Low | 55.5 | Low | 201 Ų | 201 | 116 Ų | 116 | 76% | 0.758 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.4 | -26 | 175.9 | -63.4 | -173.1 | -168.8 | -166.8 | 5.3 | 113.7 | E36 A37 R38 A42 | E36-R40 PolarHBondContact O-N 3.2Å; E36-R40 IonicContact OE2-NE 3.95Å; E36-R40 IonicContact OE2-NH2 3.33Å; E36-R40 PolarHBondContact OE2-NH2 3.31Å; A37-R40 PolarHBondContact O-N 2.74Å; R38-R40 VanDerWaalsContact C-N 3.33Å; R38-R40 PolarHBondContact O-N 2.84Å; R40-A42 VanDerWaalsContact C-N 3.31Å |
| 41 | A | 57.2 | Low | 54.8 | Low | 74 Ų | 74 | 118.7 Ų | 118.7 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.4 | -10.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A37 R38 T43 | A37-A41 PolarHBondContact O-N 3.34Å; A37-A41 VanDerWaalsContact O-N 3.15Å; R38-A41 PolarHBondContact O-N 3.39Å; A41-T43 PolarHBondContact O-N 3.3Å |
| 42 | A | 53.3 | Low | 54.1 | Low | 73 Ų | 73 | 126 Ų | 126 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | | | trans | -75 | 72.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R38 R40 P44 | R38-A42 PolarHBondContact O-N 2.87Å; R40-A42 VanDerWaalsContact C-N 3.31Å; A42-P44 WeakPolarHBondContact O-CD 3.45Å |
| 43 | T | 48.6 | Very low | 53.7 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | | | trans | -53 | 120.6 | 164.2 | 42.2 | 0 | 0 | 0 | 0 | 108.9 | A41 G45 | A41-T43 PolarHBondContact O-N 3.3Å; T43-G45 VanDerWaalsContact C-N 3.26Å; T43-G45 PolarHBondContact O-N 3.04Å |
| 44 | P | 51.6 | Low | 52.9 | Low | 141 Ų | 141 | 127.8 Ų | 127.8 | 92% | 0.916 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 82.7 | 176.7 | 29.5 | -32.3 | 0 | 0 | 0 | 108.8 | A42 | A42-P44 WeakPolarHBondContact O-CD 3.45Š|
| 45 | G | 45.1 | Very low | 52.2 | Low | 59 Ų | 59 | 131.4 Ų | 131.4 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.4 | -6.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T43 Q47 | T43-G45 VanDerWaalsContact C-N 3.26Å; T43-G45 PolarHBondContact O-N 3.04Å; G45-Q47 VanDerWaalsContact C-N 3.25Å; G45-Q47 PolarHBondContact O-N 2.84Å |
| 46 | V | 47.5 | Very low | 51.7 | Low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | | | trans | -86.5 | 79.3 | 171.8 | -169.4 | 0 | 0 | 0 | 0 | 107.4 | S48 | V46-S48 PolarHBondContact O-N 2.76Å; V46-S48 VanDerWaalsContact O-N 3.17Å |
| 47 | Q | 45.2 | Very low | 51.4 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | trans | -56 | 118.8 | 164 | -70.4 | -178.4 | -3.6 | 0 | 0 | 107.6 | G45 V49 | G45-Q47 VanDerWaalsContact C-N 3.25Å; G45-Q47 PolarHBondContact O-N 2.84Å; Q47-V49 PolarHBondContact O-N 2.95Å; Q47-V49 VanDerWaalsContact O-N 3.13Å |
| 48 | S | 44.2 | Very low | 51.2 | Low | 73 Ų | 73 | 139.9 Ų | 139.9 | 51% | 0.51 | 73% | 0.733 | S | S | . | * | | | trans | -46.7 | 114.6 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 111 | V46 E50 | V46-S48 PolarHBondContact O-N 2.76Å; V46-S48 VanDerWaalsContact O-N 3.17Å; S48-E50 PolarHBondContact O-N 3.41Å; S48-E50 PolarHBondContact OG-N 3.19Å |
| 49 | V | 53.3 | Low | 50.9 | Low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -74.9 | -2.9 | 171.5 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | Q47 D51 | Q47-V49 PolarHBondContact O-N 2.95Å; Q47-V49 VanDerWaalsContact O-N 3.13Å; V49-D51 VanDerWaalsContact C-N 3.32Å; V49-D51 PolarHBondContact O-N 2.66Å |
| 50 | E | 50.4 | Low | 50.6 | Low | 166 Ų | 166 | 137.4 Ų | 137.4 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -79.8 | -9.7 | -175.5 | -63.3 | -177.5 | 123 | 0 | 0 | 113.9 | S48 R52 | S48-E50 PolarHBondContact O-N 3.41Å; S48-E50 PolarHBondContact OG-N 3.19Å; E50-R52 PolarHBondContact O-N 2.74Å |
| 51 | D | 50.3 | Low | 50.4 | Low | 131 Ų | 131 | 132.2 Ų | 132.2 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -83 | -3.7 | -178.7 | -98.5 | -32.6 | 0 | 0 | 0 | 115.7 | V49 | V49-D51 VanDerWaalsContact C-N 3.32Å; V49-D51 PolarHBondContact O-N 2.66Å |
| 52 | R | 49.6 | Very low | 50.1 | Low | 228 Ų | 228 | 140.1 Ų | 140.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -89.9 | -20 | 175.8 | -78 | -169.5 | -175.9 | -175.3 | 2.9 | 114.8 | E50 | E50-R52 PolarHBondContact O-N 2.74Š|
| 53 | F | 50.8 | Low | 50 | Low | 188 Ų | 188 | 140.4 Ų | 140.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -14.1 | -178.3 | -83.6 | -83.2 | 0 | 0 | 0 | 114.5 | K55 | F53-K55 PolarHBondContact O-N 3.13Š|
| 54 | G | 48.3 | Very low | 50.1 | Low | 56 Ų | 56 | 142.9 Ų | 142.9 | 58% | 0.577 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -76.5 | -19.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 55 | K | 49.4 | Very low | 49.8 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -88.9 | -16.7 | -171.8 | -67.5 | -177.4 | -176.9 | 177.3 | 0 | 114.9 | F53 | F53-K55 PolarHBondContact O-N 3.13Š|
| 56 | N | 51.2 | Low | 50.3 | Low | 140 Ų | 140 | 149.7 Ų | 149.7 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -93.7 | -11.1 | -178 | -71.9 | -6.3 | 0 | 0 | 0 | 114.3 | | |
| 57 | A | 52.1 | Low | 50.4 | Low | 80 Ų | 80 | 150 Ų | 150 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -76.9 | -23.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A59 | A57-A59 PolarHBondContact O-N 2.73Š|
| 58 | R | 51.2 | Low | 51 | Low | 231 Ų | 231 | 149.4 Ų | 149.4 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -79.1 | -12.4 | -174.9 | -120.3 | 179.3 | -169.6 | -145.4 | 1.8 | 115 | | |
| 59 | A | 53.5 | Low | 51.2 | Low | 86 Ų | 86 | 151.6 Ų | 151.6 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -88.9 | -16.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A57 | A57-A59 PolarHBondContact O-N 2.73Š|
| 60 | R | 53 | Low | 50.7 | Low | 232 Ų | 232 | 149.1 Ų | 149.1 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -93.1 | -2.4 | -175.2 | -94.6 | -176.1 | 176.5 | -171.5 | -1.2 | 116 | R62 | R60-R62 PolarHBondContact O-N 3.08Š|
| 61 | A | 53.7 | Low | 50.5 | Low | 92 Ų | 92 | 149.3 Ų | 149.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 14.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 62 | R | 50.5 | Low | 50.5 | Low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 17.8 | -178 | -69.5 | -165.8 | -177.6 | -144.2 | 1.9 | 115.3 | R60 | R60-R62 PolarHBondContact O-N 3.08Š|
| 63 | A | 50.1 | Low | 50.4 | Low | 78 Ų | 78 | 142 Ų | 142 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -137.7 | 92 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 64 | H | 50.7 | Low | 50.1 | Low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 166.3 | 80.7 | 150 | -96.8 | -79.8 | 0 | 0 | 0 | 105.2 | E66 | H64-E66 IonicContact CE1-OE2 3.48Å; H64-E66 PolarHBondContact CE1-OE2 3.5Å; H64-E66 IonicContact ND1-OE2 2.95Å; H64-E66 PolarHBondContact ND1-OE2 3.33Å |
| 65 | K | 46.2 | Very low | 50.2 | Low | 195 Ų | 195 | 148.6 Ų | 148.6 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | -103 | 78.4 | 166.1 | -153.5 | -171.3 | -171.5 | -163 | 0 | 103.6 | | |
| 66 | E | 55.3 | Low | 50 | Low | 149 Ų | 149 | 143 Ų | 143 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | -101.5 | 118.5 | 169.5 | -79.8 | 173.3 | 142.8 | 0 | 0 | 106.3 | H64 D68 | H64-E66 IonicContact CE1-OE2 3.48Å; H64-E66 PolarHBondContact CE1-OE2 3.5Å; H64-E66 IonicContact ND1-OE2 2.95Å; H64-E66 PolarHBondContact ND1-OE2 3.33Å; E66-D68 PolarHBondContact O-N 2.82Å |
| 67 | D | 50.4 | Low | 49.9 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -69.7 | 103.4 | 179.3 | -65.3 | -73.4 | 0 | 0 | 0 | 109.2 | P69 | D67-P69 VanDerWaalsContact O-CD 3.28Å; D67-P69 WeakPolarHBondContact O-CD 3.23Å |
| 68 | D | 56.9 | Low | 49.8 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | -101.9 | 103.4 | 162.7 | -82.2 | -46 | 0 | 0 | 0 | 109.3 | E66 | E66-D68 PolarHBondContact O-N 2.82Š|
| 69 | P | 48.1 | Very low | 49.7 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -88.8 | 134 | 168.8 | 32.9 | -30.1 | 0 | 0 | 0 | 111.3 | D67 | D67-P69 VanDerWaalsContact O-CD 3.28Å; D67-P69 WeakPolarHBondContact O-CD 3.23Å |
| 70 | G | 42.7 | Very low | 49.3 | Very low | 72 Ų | 72 | 151.5 Ų | 151.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 95.5 | 148.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 71 | E | 45.7 | Very low | 48.9 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | cis | -159.6 | 153.1 | -12.6 | -94.9 | -150.4 | 143.5 | 0 | 0 | 106.4 | | |
| 72 | D | 51.3 | Low | 48.6 | Very low | 131 Ų | 131 | 150 Ų | 150 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | 60.5 | 91.4 | 143.6 | -59.2 | -15.5 | 0 | 0 | 0 | 119.8 | K74 | D72-K74 PolarHBondContact O-N 2.82Š|
| 73 | G | 47.5 | Very low | 48.5 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | | | | 61.1 | 59.8 | 94.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 74 | K | 45.3 | Very low | 48.4 | Very low | 206 Ų | 206 | 144.5 Ų | 144.5 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | | | trans | -115.5 | 83.1 | 146.7 | -72.1 | -168.6 | -179.1 | 177.9 | 0 | 109 | D72 G76 | D72-K74 PolarHBondContact O-N 2.82Å; K74-G76 PolarHBondContact O-N 2.73Å |
| 75 | E | 49.6 | Very low | 48.2 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -59.8 | 79 | 164.4 | -165.1 | -180 | -177.5 | 0 | 0 | 108.3 | R77 | E75-R77 PolarHBondContact O-N 3.12Š|
| 76 | G | 45.6 | Very low | 47.9 | Very low | 61 Ų | 61 | 138.7 Ų | 138.7 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | trans | -63.8 | 89.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | K74 K78 | K74-G76 PolarHBondContact O-N 2.73Å; G76-K78 PolarHBondContact O-N 2.78Å |
| 77 | R | 47.4 | Very low | 47.3 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -52.5 | 88.4 | 164.6 | -86.1 | -178 | 171.6 | -175.4 | -4.7 | 107.6 | E75 K79 | E75-R77 PolarHBondContact O-N 3.12Å; R77-K79 PolarHBondContact O-N 2.97Å |
| 78 | K | 51 | Low | 47 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | trans | -66.8 | 88.4 | 161.2 | -68.4 | -178.6 | -177.7 | 178.1 | 0 | 104.7 | G76 L80 | G76-K78 PolarHBondContact O-N 2.78Å; K78-L80 VanDerWaalsContact C-N 3.27Å; K78-L80 PolarHBondContact O-N 2.89Å |
| 79 | K | 49.5 | Very low | 46.1 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -57.3 | 101 | 167 | -68.4 | 178.8 | -179.2 | 178.1 | 0 | 105 | R77 F81 | R77-K79 PolarHBondContact O-N 2.97Å; K79-F81 HydrophobicContact CB-CD2 4.03Å; K79-F81 HydrophobicContact CB-CE2 3.84Å; K79-F81 HydrophobicContact CD-CE2 4.32Å; K79-F81 WeakPolarHBondContact O-CD2 3.32Å; K79-F81 PolarHBondContact O-N 2.94Å |
| 80 | L | 44.9 | Very low | 45.8 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -64.7 | 93.6 | 170.4 | -153.8 | 83.4 | 0 | 0 | 0 | 104.9 | K78 T82 | K78-L80 VanDerWaalsContact C-N 3.27Å; K78-L80 PolarHBondContact O-N 2.89Å; L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 2.77Å |
| 81 | F | 45.2 | Very low | 45.5 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 75% | 0.746 | 76% | 0.761 | S | S | * | * | | | trans | -71.4 | 93.9 | 171 | -84.3 | -88.9 | 0 | 0 | 0 | 106.3 | K79 V83 | K79-F81 HydrophobicContact CB-CD2 4.03Å; K79-F81 HydrophobicContact CB-CE2 3.84Å; K79-F81 HydrophobicContact CD-CE2 4.32Å; K79-F81 WeakPolarHBondContact O-CD2 3.32Å; K79-F81 PolarHBondContact O-N 2.94Å; F81-V83 HydrophobicContact CB-CG2 4.5Å; F81-V83 PolarHBondContact O-N 3.43Å |
| 82 | T | 47.4 | Very low | 44.7 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -67.9 | 87.6 | 164 | -50.2 | 0 | 0 | 0 | 0 | 106.7 | L80 A84 | L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 2.77Å; T82-A84 PolarHBondContact O-N 3.35Å; T82-A84 VanDerWaalsContact O-N 3.14Å |
| 83 | V | 47.8 | Very low | 43.8 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | -69.9 | 107.1 | 167.8 | 179.4 | 0 | 0 | 0 | 0 | 105.8 | F81 T85 | F81-V83 HydrophobicContact CB-CG2 4.5Å; F81-V83 PolarHBondContact O-N 3.43Å; V83-T85 VanDerWaalsContact C-N 3.32Å; V83-T85 PolarHBondContact O-N 3.37Å |
| 84 | A | 46.9 | Very low | 43.3 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | -64.3 | 97.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | T82 P86 | T82-A84 PolarHBondContact O-N 3.35Å; T82-A84 VanDerWaalsContact O-N 3.14Å; A84-P86 WeakPolarHBondContact O-CD 3.21Å |
| 85 | T | 48.5 | Very low | 42.9 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 121.8 | 168.7 | 25.5 | 0 | 0 | 0 | 0 | 107.9 | V83 M87 | V83-T85 VanDerWaalsContact C-N 3.32Å; V83-T85 PolarHBondContact O-N 3.37Å; T85-M87 PolarHBondContact O-N 3.33Å |
| 86 | P | 39.2 | Very low | 42.2 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 119.6 | 173.8 | 24.5 | -31.3 | 0 | 0 | 0 | 107.2 | A84 | A84-P86 WeakPolarHBondContact O-CD 3.21Š|
| 87 | M | 43 | Very low | 41.5 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 126.1 | 172.8 | -73.1 | -72.2 | -70 | 0 | 0 | 107.1 | T85 E89 | T85-M87 PolarHBondContact O-N 3.33Å; M87-E89 PolarHBondContact O-N 3.41Å |
| 88 | P | 43.7 | Very low | 41.1 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 116.6 | -176.8 | 22.6 | -31.8 | 0 | 0 | 0 | 108 | | |
| 89 | E | 37.8 | Very low | 40.3 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55 | 136.6 | 164.6 | -68 | -157.4 | 151 | 0 | 0 | 106.9 | M87 C91 | M87-E89 PolarHBondContact O-N 3.41Å; E89-C91 PolarHBondContact O-N 2.66Å |
| 90 | P | 42 | Very low | 39.7 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -71.9 | 72.9 | 175.5 | 30.8 | -33.6 | 0 | 0 | 0 | 108.1 | G92 | P90-G92 VanDerWaalsContact C-N 3.25Å; P90-G92 PolarHBondContact O-N 3.02Å |
| 91 | C | 35.9 | Very low | 39.4 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -70.9 | 92.3 | 164.9 | -78.9 | 0 | 0 | 0 | 0 | 106.3 | E89 | E89-C91 PolarHBondContact O-N 2.66Š|
| 92 | G | 29.7 | Very low | 39.2 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -54.2 | 153.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110 | P90 | P90-G92 VanDerWaalsContact C-N 3.25Å; P90-G92 PolarHBondContact O-N 3.02Å |
| 93 | A | 32.7 | Very low | 39 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 90.5 | 106.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 94 | A | 36.4 | Very low | 38.6 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | 72.6 | 79.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 95 | C | 37 | Very low | 38.2 | Very low | 137 Ų | 137 | 134 Ų | 134 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | | | trans | -121.7 | 104.8 | 137.5 | -78.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 96 | E | 34.5 | Very low | 37.8 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -57 | 149.3 | 176.1 | -70.8 | -173.7 | 139.3 | 0 | 0 | 112.1 | V98 | E96-V98 PolarHBondContact O-N 3.19Š|
| 97 | E | 32.2 | Very low | 37.8 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | -1.4 | 91.6 | 160.2 | -55.1 | -165 | 164.5 | 0 | 0 | 117.7 | | |
| 98 | V | 38.5 | Very low | 37.3 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -119.8 | 108.2 | 142.5 | -179.6 | 0 | 0 | 0 | 0 | 106.4 | E96 S100 | E96-V98 PolarHBondContact O-N 3.19Å; V98-S100 PolarHBondContact O-N 3.07Å; V98-S100 PolarHBondContact O-OG 3.35Å |
| 99 | F | 33.4 | Very low | 37.2 | Very low | 199 Ų | 199 | 129 Ų | 129 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | | | trans | -46.6 | 78.9 | 172.1 | -92.7 | -101.7 | 0 | 0 | 0 | 111.4 | | |
| 100 | S | 37.7 | Very low | 37 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | -99.6 | 96.1 | 174.3 | -52 | 0 | 0 | 0 | 0 | 105 | V98 | V98-S100 PolarHBondContact O-N 3.07Å; V98-S100 PolarHBondContact O-OG 3.35Å |
| 101 | R | 39.3 | Very low | 36.8 | Very low | 224 Ų | 224 | 122.9 Ų | 122.9 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -36 | 138.9 | 173.9 | -82 | 174.7 | 168.1 | 170.3 | -3 | 110.5 | S103 | R101-S103 PolarHBondContact O-N 2.9Š|
| 102 | P | 40 | Very low | 36.9 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -59.2 | 101.6 | -179.6 | 25.6 | -32.8 | 0 | 0 | 0 | 108.3 | E104 | P102-E104 PolarHBondContact O-N 2.96Å; P102-E104 VanDerWaalsContact O-N 3.12Å |
| 103 | S | 43.5 | Very low | 37.6 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -65.7 | 109 | 156.9 | 19.3 | 0 | 0 | 0 | 0 | 103.5 | R101 V105 | R101-S103 PolarHBondContact O-N 2.9Å; S103-V105 PolarHBondContact O-N 2.91Å |
| 104 | E | 39.1 | Very low | 38 | Very low | 173 Ų | 173 | 124.8 Ų | 124.8 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -59.3 | 90.7 | 170.3 | -70.2 | -176.5 | 162.7 | 0 | 0 | 107.1 | P102 V106 | P102-E104 PolarHBondContact O-N 2.96Å; P102-E104 VanDerWaalsContact O-N 3.12Å; E104-V106 PolarHBondContact O-N 3.04Å |
| 105 | V | 37.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | -68.6 | 86.1 | 165 | -177.4 | 0 | 0 | 0 | 0 | 104.6 | S103 A107 | S103-V105 PolarHBondContact O-N 2.91Å; V105-A107 PolarHBondContact O-N 3.25Å |
| 106 | V | 41.1 | Very low | 38.7 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | trans | -64.6 | 92.6 | 164.8 | -179.8 | 0 | 0 | 0 | 0 | 105.1 | E104 G108 | E104-V106 PolarHBondContact O-N 3.04Å; V106-G108 PolarHBondContact O-N 3.47Å |
| 107 | A | 39.1 | Very low | 38.9 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | -66.5 | 80 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V105 C109 | V105-A107 PolarHBondContact O-N 3.25Å; A107-C109 PolarHBondContact O-N 3.14Å |
| 108 | G | 33 | Very low | 39.3 | Very low | 53 Ų | 53 | 121.6 Ų | 121.6 | 55% | 0.546 | 76% | 0.756 | S | S | . | * | | | trans | -66 | 117.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V106 G110 | V106-G108 PolarHBondContact O-N 3.47Å; G108-G110 PolarHBondContact O-N 3.35Å |
| 109 | C | 40.4 | Very low | 39.6 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 97% | 0.973 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -47.4 | 107.6 | 161.4 | 164.1 | 0 | 0 | 0 | 0 | 108 | A107 | A107-C109 PolarHBondContact O-N 3.14Š|
| 110 | G | 33.9 | Very low | 40.1 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 114.7 | 43 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | G108 T112 | G108-G110 PolarHBondContact O-N 3.35Å; G110-T112 PolarHBondContact O-N 2.79Å; G110-T112 VanDerWaalsContact O-N 3.14Å |
| 111 | G | 38.2 | Very low | 40.2 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 75.6 | 11.4 | 133.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 112 | T | 37.1 | Very low | 40.2 | Very low | 121 Ų | 121 | 121 Ų | 121 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | -123.4 | 95 | 170.5 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | G110 V114 | G110-T112 PolarHBondContact O-N 2.79Å; G110-T112 VanDerWaalsContact O-N 3.14Å; T112-V114 PolarHBondContact O-N 2.83Å |
| 113 | A | 46.1 | Very low | 39.9 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -77.9 | 107.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | V115 | A113-V115 PolarHBondContact O-N 3.23Š|
| 114 | V | 40.6 | Very low | 39.6 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | | | trans | -81.9 | 105.8 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | T112 F116 | T112-V114 PolarHBondContact O-N 2.83Å; V114-F116 HydrophobicContact CB-CE2 4.22Å; V114-F116 HydrophobicContact CG1-CD2 4.14Å; V114-F116 HydrophobicContact CG1-CE2 3.69Å; V114-F116 HydrophobicContact CG1-CZ 3.94Å; V114-F116 PolarHBondContact O-N 3.38Å |
| 115 | V | 45.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | | | trans | -80.2 | 108.8 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | A113 S117 | A113-V115 PolarHBondContact O-N 3.23Å; V115-S117 PolarHBondContact O-N 2.99Å |
| 116 | F | 42.1 | Very low | 39.3 | Very low | 187 Ų | 187 | 118.4 Ų | 118.4 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | | | trans | -84.2 | 94.6 | 169.3 | -72 | -87.3 | 0 | 0 | 0 | 108.8 | V114 S118 | V114-F116 HydrophobicContact CB-CE2 4.22Å; V114-F116 HydrophobicContact CG1-CD2 4.14Å; V114-F116 HydrophobicContact CG1-CE2 3.69Å; V114-F116 HydrophobicContact CG1-CZ 3.94Å; V114-F116 PolarHBondContact O-N 3.38Å; F116-S118 PolarHBondContact O-N 2.7Å |
| 117 | S | 39.7 | Very low | 38.9 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -79.1 | 107 | 164.1 | 36.9 | 0 | 0 | 0 | 0 | 108.6 | V115 | V115-S117 PolarHBondContact O-N 2.99Š|
| 118 | S | 38.8 | Very low | 39.1 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.3 | 163.4 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | F116 T120 | F116-S118 PolarHBondContact O-N 2.7Å; S118-T120 PolarHBondContact O-N 2.95Å; S118-T120 VanDerWaalsContact O-N 3.07Å |
| 119 | P | 45.7 | Very low | 39.3 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.5 | 177 | 24.5 | -31.2 | 0 | 0 | 0 | 108.2 | E121 | P119-E121 PolarHBondContact O-N 3.48Š|
| 120 | T | 42.9 | Very low | 39.2 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 127.2 | 169.5 | 30.8 | 0 | 0 | 0 | 0 | 109.3 | S118 E122 | S118-T120 PolarHBondContact O-N 2.95Å; S118-T120 VanDerWaalsContact O-N 3.07Å; T120-E122 PolarHBondContact O-N 3.41Å |
| 121 | E | 41.5 | Very low | 39 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -61.6 | 80.5 | 178.7 | -62.5 | -175 | 151 | 0 | 0 | 110.6 | P119 | P119-E121 PolarHBondContact O-N 3.48Š|
| 122 | E | 37.4 | Very low | 39 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | trans | -163.7 | 53.6 | 167.8 | -116.9 | 176.1 | -162.6 | 0 | 0 | 111.5 | T120 | T120-E122 PolarHBondContact O-N 3.41Š|
| 123 | E | 35.2 | Very low | 39 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -160.1 | 71.6 | 149.1 | -110.9 | -166.1 | 140.4 | 0 | 0 | 107.8 | V125 | E123-V125 HydrophobicContact CB-CG2 4.08Å; E123-V125 HydrophobicContact CG-CG2 3.65Å; E123-V125 PolarHBondContact O-N 3Å; E123-V125 WeakPolarHBondContact OE1-CG2 3.34Å |
| 124 | A | 37.6 | Very low | 38.8 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 61.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | A126 | A124-A126 PolarHBondContact O-N 3.06Š|
| 125 | V | 36.1 | Very low | 38.6 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 58% | 0.582 | 78% | 0.779 | S | S | * | * | | | trans | -75.4 | 91.3 | 167.7 | -180 | 0 | 0 | 0 | 0 | 106.1 | E123 S127 | E123-V125 HydrophobicContact CB-CG2 4.08Å; E123-V125 HydrophobicContact CG-CG2 3.65Å; E123-V125 PolarHBondContact O-N 3Å; E123-V125 WeakPolarHBondContact OE1-CG2 3.34Å; V125-S127 PolarHBondContact O-N 2.92Å |
| 126 | A | 34 | Very low | 38.7 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -50.2 | 100.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A124 P128 | A124-A126 PolarHBondContact O-N 3.06Å; A126-P128 WeakPolarHBondContact O-CD 3.49Å |
| 127 | S | 31.7 | Very low | 39.1 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -97.6 | 95.6 | 157.1 | -98.9 | 0 | 0 | 0 | 0 | 107.8 | V125 R129 | V125-S127 PolarHBondContact O-N 2.92Å; S127-R129 PolarHBondContact O-N 3.1Å |
| 128 | P | 44.1 | Very low | 39.2 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -81 | 64.9 | -179.8 | 34.7 | -35.1 | 0 | 0 | 0 | 109.7 | A126 | A126-P128 WeakPolarHBondContact O-CD 3.49Š|
| 129 | R | 36.7 | Very low | 39.3 | Very low | 231 Ų | 231 | 134.1 Ų | 134.1 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | | | trans | -143.7 | 73.5 | 168 | -73.2 | -160.2 | 170 | 167.8 | -0 | 109.9 | S127 | S127-R129 PolarHBondContact O-N 3.1Š|
| 130 | L | 38.3 | Very low | 39.4 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | 161.8 | 106.1 | 144.7 | -86.2 | 156.4 | 0 | 0 | 0 | 105.7 | I132 | L130-I132 PolarHBondContact O-N 3.14Š|
| 131 | G | 30.9 | Very low | 39.3 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | | | trans | -66.9 | 65.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 132 | I | 36.7 | Very low | 39.4 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 57% | 0.569 | 74% | 0.735 | S | S | * | * | | | trans | -115.7 | 85.1 | 163.5 | -45.3 | 178.6 | 0 | 0 | 0 | 105.3 | L130 R134 | L130-I132 PolarHBondContact O-N 3.14Å; I132-R134 HydrophobicContact CG2-CG 3.61Å; I132-R134 PolarHBondContact O-N 2.9Å |
| 133 | N | 38.4 | Very low | 39.7 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | | | trans | -59.8 | 82.3 | 159 | -78.1 | -51.2 | 0 | 0 | 0 | 107.5 | S135 | N133-S135 VanDerWaalsContact C-N 3.31Å; N133-S135 PolarHBondContact O-N 2.98Å; N133-S135 VanDerWaalsContact O-N 3.13Å |
| 134 | R | 40.4 | Very low | 40.2 | Very low | 206 Ų | 206 | 125.3 Ų | 125.3 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | | | trans | -74 | 99 | 160.9 | -67.4 | -169.3 | 176.4 | 168 | -0.2 | 104.4 | I132 | I132-R134 HydrophobicContact CG2-CG 3.61Å; I132-R134 PolarHBondContact O-N 2.9Å |
| 135 | S | 37.8 | Very low | 40.6 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | | | trans | -40.4 | 141.6 | 161.1 | 40.7 | 0 | 0 | 0 | 0 | 109.3 | N133 I137 | N133-S135 VanDerWaalsContact C-N 3.31Å; N133-S135 PolarHBondContact O-N 2.98Å; N133-S135 VanDerWaalsContact O-N 3.13Å; S135-I137 PolarHBondContact O-N 3.28Å |
| 136 | P | 47.8 | Very low | 40.7 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | trans | -50.2 | 129.7 | -169.5 | 21.1 | -33.3 | 0 | 0 | 0 | 108.6 | V138 | P136-V138 PolarHBondContact O-N 3.27Š|
| 137 | I | 48.8 | Very low | 40.9 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 81% | 0.805 | 71% | 0.713 | S | S | * | * | | | trans | -42.8 | 90.4 | -179.6 | -63.1 | 158.7 | 0 | 0 | 0 | 108 | S135 P139 | S135-I137 PolarHBondContact O-N 3.28Å; I137-P139 VanDerWaalsContact O-CD 3.23Å; I137-P139 WeakPolarHBondContact O-CD 3.28Å; I137-P139 VanDerWaalsContact O-N 3.16Å |
| 138 | V | 41.9 | Very low | 41.7 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | | | trans | -65.6 | 114.6 | 164.6 | 179 | 0 | 0 | 0 | 0 | 102.3 | P136 T140 | P136-V138 PolarHBondContact O-N 3.27Å; V138-T140 PolarHBondContact O-N 2.87Å |
| 139 | P | 41.9 | Very low | 41.5 | Very low | 65 Ų | 65 | 132.4 Ų | 132.4 | 42% | 0.422 | 72% | 0.717 | S | S | . | * | | | trans | -57.8 | 111.2 | -178.1 | 22 | -31 | 0 | 0 | 0 | 107 | I137 C141 F142 | I137-P139 VanDerWaalsContact O-CD 3.23Å; I137-P139 WeakPolarHBondContact O-CD 3.28Å; I137-P139 VanDerWaalsContact O-N 3.16Å; P139-C141 HydrophobicContact CB-CB 4.31Å; P139-C141 PolarHBondContact O-N 2.83Å; P139-F142 HydrophobicContact CG-CD2 4.27Å; P139-F142 PolarHBondContact O-N 2.75Å |
| 140 | T | 47.1 | Very low | 41.7 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -60.7 | -0.8 | 174.3 | 32.6 | 0 | 0 | 0 | 0 | 112 | V138 F142 L143 | V138-T140 PolarHBondContact O-N 2.87Å; T140-F142 PolarHBondContact O-N 2.86Å; T140-L143 PolarHBondContact O-N 2.7Å |
| 141 | C | 41.6 | Very low | 41.7 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -56.5 | -27.2 | 163 | -51.8 | 0 | 0 | 0 | 0 | 113.3 | P139 | P139-C141 HydrophobicContact CB-CB 4.31Å; P139-C141 PolarHBondContact O-N 2.83Å |
| 142 | F | 42.6 | Very low | 42 | Very low | 151 Ų | 151 | 135 Ų | 135 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -85.1 | -16.1 | 176.1 | -80.2 | -77.5 | 0 | 0 | 0 | 114.7 | P139 T140 | P139-F142 HydrophobicContact CG-CD2 4.27Å; P139-F142 PolarHBondContact O-N 2.75Å; T140-F142 PolarHBondContact O-N 2.86Å |
| 143 | L | 45 | Very low | 42.2 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 64% | 0.644 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -85.7 | -14.3 | 175.4 | -68.6 | 179.7 | 0 | 0 | 0 | 113.4 | T140 L145 L146 | T140-L143 PolarHBondContact O-N 2.7Å; L143-L145 VanDerWaalsContact C-N 3.32Å; L143-L146 PolarHBondContact O-N 2.81Å |
| 144 | N | 44 | Very low | 42.4 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -85.1 | -0.1 | 171.8 | -84.5 | -27.4 | 0 | 0 | 0 | 114.3 | | |
| 145 | L | 46.4 | Very low | 42.4 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -93.1 | 5.7 | 166.5 | -80.3 | 164.7 | 0 | 0 | 0 | 113.4 | L143 | L143-L145 VanDerWaalsContact C-N 3.32Š|
| 146 | L | 38.2 | Very low | 42.2 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | | | trans | -114.7 | 78.8 | 167.6 | -75.4 | 169.6 | 0 | 0 | 0 | 111.6 | L143 | L143-L146 PolarHBondContact O-N 2.81Š|
| 147 | P | 38 | Very low | 42 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 58% | 0.584 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -118.6 | 126 | 139 | 34.1 | -23 | 0 | 0 | 0 | 109.3 | | |
| 148 | I | 48.7 | Very low | 41.4 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 87.4 | 35.2 | 155.1 | -35.8 | 140.7 | 0 | 0 | 0 | 116.7 | R150 | I148-R150 VanDerWaalsContact C-N 3.31Š|
| 149 | L | 40 | Very low | 41.4 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -92.8 | 3.1 | 137.9 | -98.4 | 151.3 | 0 | 0 | 0 | 112 | G151 | L149-G151 PolarHBondContact O-N 3.23Š|
| 150 | R | 40.8 | Very low | 41.4 | Very low | 246 Ų | 246 | 146.9 Ų | 146.9 | 93% | 0.928 | 75% | 0.745 | S | S | * | * | | | trans | -76.2 | 74.7 | 155.2 | -85.4 | -169.8 | 174.9 | 155.5 | -0 | 109.3 | I148 | I148-R150 VanDerWaalsContact C-N 3.31Š|
| 151 | G | 38.2 | Very low | 41.3 | Very low | 51 Ų | 51 | 151.7 Ų | 151.7 | 53% | 0.526 | 75% | 0.753 | S | S | . | * | S | Bend | trans | 179.5 | 36.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L149 | L149-G151 PolarHBondContact O-N 3.23Š|
| 152 | R | 37.6 | Very low | 41.4 | Very low | 231 Ų | 231 | 152.8 Ų | 152.8 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 167.4 | 125.6 | 145.6 | -90.9 | 152.3 | -178.3 | -170.8 | -0.8 | 110.4 | | |
| 153 | S | 41.3 | Very low | 41.5 | Very low | 101 Ų | 101 | 151.7 Ų | 151.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | 73.5 | 63.3 | 152.6 | -47.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 154 | Y | 42.9 | Very low | 41.1 | Very low | 229 Ų | 229 | 157.8 Ų | 157.8 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | -115.3 | 96.3 | 134.1 | -72.2 | -78.8 | 0 | 0 | 0 | 107.6 | | |
| 155 | L | 39.8 | Very low | 41.1 | Very low | 148 Ų | 148 | 160.9 Ų | 160.9 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | trans | 14 | 112.7 | 141.6 | -76.6 | 120.3 | 0 | 0 | 0 | 114.4 | P157 | L155-P157 WeakPolarHBondContact O-CD 3.4Š|
| 156 | R | 34.5 | Very low | 41.2 | Very low | 239 Ų | 239 | 167.2 Ų | 167.2 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -40.6 | 119.7 | 158.6 | -67.2 | 177.5 | 170.7 | -178.3 | -3.2 | 110.1 | | |
| 157 | P | 42.4 | Very low | 41.3 | Very low | 127 Ų | 127 | 169.1 Ų | 169.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -113.9 | 61.5 | 153.2 | 31.4 | -10.2 | 0 | 0 | 0 | 105.8 | L155 | L155-P157 WeakPolarHBondContact O-CD 3.4Š|
| 158 | N | 36.6 | Very low | 41.5 | Very low | 131 Ų | 131 | 173.2 Ų | 173.2 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | -114.7 | 107.6 | 170.8 | -112.2 | -27.8 | 0 | 0 | 0 | 107.9 | | |
| 159 | L | 40.9 | Very low | 41.1 | Very low | 127 Ų | 127 | 174.8 Ų | 174.8 | 67% | 0.665 | 82% | 0.819 | S | S | * | * | | | trans | 71 | 69.9 | 142.7 | -68.6 | 148 | 0 | 0 | 0 | 116.6 | Y161 | L159-Y161 VanDerWaalsContact C-N 3.29Š|
| 160 | L | 42.7 | Very low | 41.2 | Very low | 177 Ų | 177 | 175.5 Ų | 175.5 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | | | trans | -101.4 | 60.7 | 131.1 | -80.9 | 169 | 0 | 0 | 0 | 108.5 | | |
| 161 | Y | 44.4 | Very low | 41.2 | Very low | 204 Ų | 204 | 171.1 Ų | 171.1 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | -99.8 | 75 | 155 | -163.9 | -93.5 | 0 | 0 | 0 | 106.1 | L159 | L159-Y161 VanDerWaalsContact C-N 3.29Š|
| 162 | V | 43.8 | Very low | 41.4 | Very low | 117 Ų | 117 | 179.1 Ų | 179.1 | 71% | 0.709 | 83% | 0.829 | S | S | * | * | | | trans | -120.1 | 82.3 | 166.7 | -177.5 | 0 | 0 | 0 | 0 | 107 | | |
| 163 | Q | 45.5 | Very low | 41.7 | Very low | 128 Ų | 128 | 175.4 Ų | 175.4 | 60% | 0.598 | 83% | 0.826 | S | S | * | * | | | | 65.4 | 92.1 | 126.6 | -152.4 | 160.2 | 9.1 | 0 | 0 | 117.6 | R165 | Q163-R165 HydrophobicContact CG-CG 4.25Å; Q163-R165 PolarHBondContact O-N 3.34Å |
| 164 | R | 36.9 | Very low | 41.7 | Very low | 251 Ų | 251 | 181.1 Ų | 181.1 | 95% | 0.947 | 84% | 0.835 | S | S | * | * | | | trans | -43.6 | 115.9 | 138.6 | -92.6 | 179.5 | 176.8 | 169.7 | -1.2 | 109.2 | | |
| 165 | R | 43.5 | Very low | 41.6 | Very low | 207 Ų | 207 | 177.1 Ų | 177.1 | 78% | 0.781 | 83% | 0.83 | S | S | * | * | | | trans | -139.4 | 113.2 | 149 | -92.8 | -168.4 | 177.6 | -178.4 | 2.2 | 107.7 | Q163 | Q163-R165 HydrophobicContact CG-CG 4.25Å; Q163-R165 PolarHBondContact O-N 3.34Å |
| 166 | M | 48.1 | Very low | 41.7 | Very low | 269 Ų | 269 | 179.7 Ų | 179.7 | 100% | 1.325 | 83% | 0.834 | S | S | * | * | | | trans | 36.1 | 0 | 155.2 | -62.6 | -167.2 | 174 | 0 | 0 | 117.8 | | |