| 1 | M | 46.4 | Very low | 49.6 | Very low | 252 Ų | 252 | 141.3 Ų | 141.3 | 100% | 1.241 | 83% | 0.832 | S | S | * | * | | | | 0 | 140.2 | 0 | -74.9 | 170.8 | 162.2 | 0 | 0 | 107.6 | | |
| 2 | A | 48.7 | Very low | 49.1 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | | | cis | -105.8 | -179.3 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | E | 43.9 | Very low | 49 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 66% | 0.664 | 83% | 0.83 | S | S | * | * | | | trans | -123.8 | 168 | -169.8 | -167.5 | -178 | 117.9 | 0 | 0 | 109.8 | S279 | E3-S279 PolarHBondContact OE1-OG 3.13Å; E3-S279 PolarHBondContact OE2-OG 3.07Å |
| 4 | A | 48.2 | Very low | 48.8 | Very low | 88 Ų | 88 | 144 Ų | 144 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | | | trans | 81.5 | 158.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 5 | P | 49.2 | Very low | 48.9 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | cis | -119.2 | 168.9 | -6.7 | 38.8 | -25.2 | 0 | 0 | 0 | 114.6 | | |
| 6 | L | 56.8 | Low | 48.8 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 159.4 | 158.3 | -76.4 | 164.4 | 0 | 0 | 0 | 109.8 | | |
| 7 | P | 52.5 | Low | 49.5 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68 | 150.6 | 167.4 | 30.7 | -34.9 | 0 | 0 | 0 | 111.3 | | |
| 8 | D | 47.6 | Very low | 50.1 | Low | 163 Ų | 163 | 138.1 Ų | 138.1 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 148.4 | -179.1 | -67 | -61.5 | 0 | 0 | 0 | 112.5 | | |
| 9 | T | 45.3 | Very low | 50.7 | Low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 144 | 171.2 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 10 | L | 57.2 | Low | 50.8 | Low | 159 Ų | 159 | 137.9 Ų | 137.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59 | 151.4 | 167.8 | -62.5 | 174.2 | 0 | 0 | 0 | 110.7 | | |
| 11 | P | 50.2 | Low | 50.8 | Low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 138.6 | 168.3 | 30.2 | -33.6 | 0 | 0 | 0 | 110.2 | L13 | P11-L13 PolarHBondContact O-N 3.48Š|
| 12 | D | 43.3 | Very low | 51.8 | Low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 129 | 165.4 | -80.6 | -56.1 | 0 | 0 | 0 | 109.6 | D14 | D12-D14 VanDerWaalsContact C-N 3.32Å; D12-D14 PolarHBondContact O-N 2.89Å; D12-D14 VanDerWaalsContact O-N 3.14Å |
| 13 | L | 47.8 | Very low | 52.1 | Low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | -80.9 | 87.8 | 164.5 | -71.6 | 175.9 | 0 | 0 | 0 | 107.7 | P11 V15 | P11-L13 PolarHBondContact O-N 3.48Å; L13-V15 PolarHBondContact O-N 2.79Å |
| 14 | D | 46.8 | Very low | 52.8 | Low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 85.3 | 159.8 | -96.2 | -36 | 0 | 0 | 0 | 108.5 | D12 V16 | D12-D14 VanDerWaalsContact C-N 3.32Å; D12-D14 PolarHBondContact O-N 2.89Å; D12-D14 VanDerWaalsContact O-N 3.14Å; D14-V16 PolarHBondContact O-N 3.46Å |
| 15 | V | 50 | Low | 53.2 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | | | trans | -65.5 | 103.8 | 167.3 | 176.9 | 0 | 0 | 0 | 0 | 105.8 | L13 I17 | L13-V15 PolarHBondContact O-N 2.79Å; V15-I17 HydrophobicContact CG1-CG1 4.46Å; V15-I17 PolarHBondContact O-N 3.01Å |
| 16 | V | 47.3 | Very low | 53.5 | Low | 131 Ų | 131 | 143 Ų | 143 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -62.4 | 92.5 | 170.7 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | D14 D18 | D14-V16 PolarHBondContact O-N 3.46Å; V16-D18 PolarHBondContact O-N 3.12Å; V16-D18 VanDerWaalsContact O-N 3.09Å |
| 17 | I | 59.7 | Low | 53.2 | Low | 144 Ų | 144 | 140 Ų | 140 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | trans | -66.4 | 108.6 | 170.8 | -62.4 | 174.8 | 0 | 0 | 0 | 106 | V15 P19 | V15-I17 HydrophobicContact CG1-CG1 4.46Å; V15-I17 PolarHBondContact O-N 3.01Å; I17-P19 WeakPolarHBondContact O-CD 3.44Å |
| 18 | D | 60.9 | Low | 53.2 | Low | 82 Ų | 82 | 145.3 Ų | 145.3 | 44% | 0.439 | 75% | 0.752 | S | S | . | * | | | trans | -53.8 | 116.6 | 175.3 | 178.4 | -0.3 | 0 | 0 | 0 | 109.6 | V16 D20 F21 | V16-D18 PolarHBondContact O-N 3.12Å; V16-D18 VanDerWaalsContact O-N 3.09Å; D18-D20 PolarHBondContact O-N 3.43Å; D18-D20 PolarHBondContact OD1-N 3.23Å; D18-D20 VanDerWaalsContact OD1-N 3.13Å; D18-F21 HydrophobicContact CB-CB 4.23Å; D18-F21 WeakPolarHBondContact O-CB 2.99Å; D18-F21 PolarHBondContact O-N 3.5Å; D18-F21 VanDerWaalsContact O-N 3.08Å |
| 19 | P | 61.2 | Low | 53.5 | Low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -17.5 | -174.3 | 27.8 | -35.5 | 0 | 0 | 0 | 113.5 | I17 F21 | I17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-F21 VanDerWaalsContact C-N 3.35Å |
| 20 | D | 52.3 | Low | 53.7 | Low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -4.2 | 175.4 | -79.9 | -17.2 | 0 | 0 | 0 | 113 | D18 E22 | D18-D20 PolarHBondContact O-N 3.43Å; D18-D20 PolarHBondContact OD1-N 3.23Å; D18-D20 VanDerWaalsContact OD1-N 3.13Å; D20-E22 VanDerWaalsContact C-N 3.25Å; D20-E22 PolarHBondContact O-N 3.4Å |
| 21 | F | 51.4 | Low | 53.7 | Low | 162 Ų | 162 | 137 Ų | 137 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | trans | -79.9 | 65.8 | -179.7 | -134.3 | -82.4 | 0 | 0 | 0 | 112.6 | D18 P19 | D18-F21 HydrophobicContact CB-CB 4.23Å; D18-F21 WeakPolarHBondContact O-CB 2.99Å; D18-F21 PolarHBondContact O-N 3.5Å; D18-F21 VanDerWaalsContact O-N 3.08Å; P19-F21 VanDerWaalsContact C-N 3.35Å |
| 22 | E | 67.4 | Low | 53.8 | Low | 131 Ų | 131 | 141.6 Ų | 141.6 | 61% | 0.612 | 72% | 0.724 | S | S | * | * | | | trans | -55.2 | 125.5 | -179.6 | -163.8 | -165.1 | -159.7 | 0 | 0 | 110.8 | D20 Q24 K25 | D20-E22 VanDerWaalsContact C-N 3.25Å; D20-E22 PolarHBondContact O-N 3.4Å; E22-Q24 PolarHBondContact O-N 3Å; E22-K25 IonicContact OE1-NZ 2.86Å; E22-K25 PolarHBondContact OE1-NZ 3.44Å; E22-K25 IonicContact OE2-NZ 2.66Å; E22-K25 PolarHBondContact OE2-NZ 3.08Å |
| 23 | P | 55.6 | Low | 54.5 | Low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | | | trans | -62.4 | 110.6 | -174.8 | 22.5 | -33.8 | 0 | 0 | 0 | 111.5 | K25 | P23-K25 PolarHBondContact O-N 3.1Å; P23-K25 VanDerWaalsContact O-N 3.09Å |
| 24 | Q | 59 | Low | 54.5 | Low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | | | trans | -49.6 | 116.7 | -176.1 | -88.4 | -170.6 | -14.5 | 0 | 0 | 112.1 | E22 R26 | E22-Q24 PolarHBondContact O-N 3Å; Q24-R26 VanDerWaalsContact C-N 3.31Å; Q24-R26 PolarHBondContact O-N 2.88Å |
| 25 | K | 56.4 | Low | 54.5 | Low | 158 Ų | 158 | 135.5 Ų | 135.5 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | | | trans | -72 | 80.7 | -177 | -58 | -176.3 | -175.1 | 79.9 | 0 | 110.5 | E22 P23 | E22-K25 IonicContact OE1-NZ 2.86Å; E22-K25 PolarHBondContact OE1-NZ 3.44Å; E22-K25 IonicContact OE2-NZ 2.66Å; E22-K25 PolarHBondContact OE2-NZ 3.08Å; P23-K25 PolarHBondContact O-N 3.1Å; P23-K25 VanDerWaalsContact O-N 3.09Å |
| 26 | R | 55.6 | Low | 54.5 | Low | 216 Ų | 216 | 141.2 Ų | 141.2 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | | | trans | -51.9 | 139.6 | 177.7 | -67.3 | -176.2 | 179.5 | -178.8 | -0.1 | 110.9 | Q24 | Q24-R26 VanDerWaalsContact C-N 3.31Å; Q24-R26 PolarHBondContact O-N 2.88Å |
| 27 | P | 50.4 | Low | 54.7 | Low | 95 Ų | 95 | 140.5 Ų | 140.5 | 62% | 0.617 | 71% | 0.712 | S | S | * | * | | | trans | -61.1 | 140 | -176.8 | 24.2 | -33.9 | 0 | 0 | 0 | 111.8 | S29 | P27-S29 PolarHBondContact O-N 3.13Š|
| 28 | R | 51.8 | Low | 53.7 | Low | 231 Ų | 231 | 141.1 Ų | 141.1 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 19.4 | -168.5 | -51.2 | -174.8 | 82.2 | 152.1 | 5.8 | 114.5 | | |
| 29 | S | 53.2 | Low | 52.6 | Low | 72 Ų | 72 | 143.2 Ų | 143.2 | 50% | 0.503 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -21.2 | 172.5 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | P27 T31 | P27-S29 PolarHBondContact O-N 3.13Å; S29-T31 VanDerWaalsContact C-N 3.31Å; S29-T31 PolarHBondContact O-N 3.22Å |
| 30 | C | 51.2 | Low | 51.4 | Low | 106 Ų | 106 | 142.3 Ų | 142.3 | 72% | 0.716 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -88.2 | 17.1 | -176.6 | -62.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 31 | T | 55.6 | Low | 50.5 | Low | 107 Ų | 107 | 140 Ų | 140 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -124.4 | 104.4 | 176 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | S29 | S29-T31 VanDerWaalsContact C-N 3.31Å; S29-T31 PolarHBondContact O-N 3.22Å |
| 32 | W | 52.3 | Low | 49.6 | Very low | 203 Ų | 203 | 138.5 Ų | 138.5 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -91.8 | 145.2 | 177 | -78.9 | 84.9 | 0 | 0 | 0 | 111.6 | L34 | W32-L34 HydrophobicContact CH2-CD1 4.43Š|
| 33 | P | 58.4 | Low | 48 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -89.6 | 149.5 | -1.2 | -3.1 | 23.5 | 0 | 0 | 0 | 113.3 | | |
| 34 | L | 47.1 | Very low | 47.7 | Very low | 100 Ų | 100 | 140 Ų | 140 | 52% | 0.524 | 75% | 0.745 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 139.9 | 174.3 | -73.3 | 154.1 | 0 | 0 | 0 | 111.9 | W32 | W32-L34 HydrophobicContact CH2-CD1 4.43Š|
| 35 | P | 47.8 | Very low | 46.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 153.6 | 172.7 | 30.9 | -34.8 | 0 | 0 | 0 | 111.4 | | |
| 36 | R | 49.8 | Very low | 45.1 | Very low | 231 Ų | 231 | 135 Ų | 135 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 139.8 | 171.9 | -64.6 | -179.8 | -178.4 | 170.6 | 0 | 109.9 | | |
| 37 | P | 50.6 | Low | 43.9 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126.7 | 165.3 | 30.8 | -31.3 | 0 | 0 | 0 | 109.9 | | |
| 38 | D | 39.8 | Very low | 43.2 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 134 | 165.6 | -70.9 | -54.3 | 0 | 0 | 0 | 109.5 | | |
| 39 | S | 36.8 | Very low | 42.4 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | | | trans | -104.9 | 94.6 | -173.5 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 40 | S | 36.9 | Very low | 41.4 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -140.3 | 128.7 | 169.3 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 41 | A | 33.1 | Very low | 40.5 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | | | trans | 64.1 | 154.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 42 | V | 32.9 | Very low | 39.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | cis | -154.5 | 157.2 | -21.6 | 125.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 43 | K | 34.3 | Very low | 39.2 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 68% | 0.683 | 75% | 0.745 | S | S | * | * | | | trans | -86 | 130.3 | -178.1 | -168.7 | -161.8 | 179.6 | -143.3 | 0 | 113 | E45 | K43-E45 VanDerWaalsContact CD-OE1 3.23Å; K43-E45 WeakPolarHBondContact CD-OE1 3.48Å; K43-E45 WeakPolarHBondContact CE-OE1 3.42Å; K43-E45 WeakPolarHBondContact CG-OE1 3.23Å; K43-E45 IonicContact NZ-OE1 2.89Å; K43-E45 PolarHBondContact NZ-OE1 3.09Å; K43-E45 IonicContact NZ-OE2 2.95Å; K43-E45 PolarHBondContact NZ-OE2 2.79Å |
| 44 | P | 48.2 | Very low | 38 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | | | trans | -151.3 | 169.3 | 131.2 | 38.9 | -23.4 | 0 | 0 | 0 | 115.6 | | |
| 45 | E | 26.3 | Very low | 37.4 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | | | cis | -154.3 | -58.9 | -44.5 | -158.8 | 62.1 | 7 | 0 | 0 | 115.5 | K43 | K43-E45 VanDerWaalsContact CD-OE1 3.23Å; K43-E45 WeakPolarHBondContact CD-OE1 3.48Å; K43-E45 WeakPolarHBondContact CE-OE1 3.42Å; K43-E45 WeakPolarHBondContact CG-OE1 3.23Å; K43-E45 IonicContact NZ-OE1 2.89Å; K43-E45 PolarHBondContact NZ-OE1 3.09Å; K43-E45 IonicContact NZ-OE2 2.95Å; K43-E45 PolarHBondContact NZ-OE2 2.79Å |
| 46 | S | 34.8 | Very low | 36.7 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -155.5 | -176.7 | -163.5 | 71.5 | 0 | 0 | 0 | 0 | 118 | | |
| 47 | T | 30.5 | Very low | 36 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | | | trans | 86 | 133.1 | 159.1 | -53.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 48 | E | 35.1 | Very low | 35.4 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | cis | 164.3 | 167.4 | 0.7 | 176.1 | 176.2 | -153.8 | 0 | 0 | 104.5 | | |
| 49 | A | 36.8 | Very low | 35.7 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | | | | -157.2 | 169.2 | -52.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 50 | D | 31.6 | Very low | 35.8 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -175.9 | 110.6 | 155.2 | -95 | -25.2 | 0 | 0 | 0 | 108.3 | | |
| 51 | I | 31.7 | Very low | 35.5 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | | | | 68.9 | 101.6 | 95.9 | -63.6 | 174.7 | 0 | 0 | 0 | 112.7 | | |
| 52 | I | 31.5 | Very low | 35.4 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | | 76.7 | 141.7 | 51 | -57.2 | 164.8 | 0 | 0 | 0 | 112 | | |
| 53 | P | 49.2 | Very low | 35.3 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -89.7 | -135.2 | -6.4 | 9.4 | 11.6 | 0 | 0 | 0 | 112.5 | | |
| 54 | E | 33.5 | Very low | 35.2 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | cis | -154.1 | 158.6 | 8.8 | -60.6 | 168.7 | 133 | 0 | 0 | 107.1 | | |
| 55 | E | 33.4 | Very low | 35.2 | Very low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | | | cis | -127.1 | -159.2 | 1.5 | -62.3 | 178.5 | -84.3 | 0 | 0 | 110.2 | | |
| 56 | E | 34.5 | Very low | 35.5 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -137.6 | -176.9 | -172 | -63.5 | -173.4 | 118 | 0 | 0 | 116.1 | | |
| 57 | D | 33.8 | Very low | 35.2 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | 82.9 | 118.3 | 169.1 | -63.6 | -11.3 | 0 | 0 | 0 | 120.7 | | |
| 58 | D | 39.1 | Very low | 35.3 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -125.7 | -104.2 | 164.4 | -167.5 | 47.9 | 0 | 0 | 0 | 111.1 | | |
| 59 | E | 46 | Very low | 34.9 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | cis | -148 | 154.6 | -12.9 | -81.8 | -164.7 | 107.1 | 0 | 0 | 107.2 | | |
| 60 | E | 38.3 | Very low | 34.6 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | 174 | 141.6 | 148.7 | -98.6 | -169.4 | 170.4 | 0 | 0 | 110.8 | | |
| 61 | D | 31.3 | Very low | 34.6 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | | | cis | -157.4 | 164.7 | -18.5 | -170.8 | 27.7 | 0 | 0 | 0 | 111.8 | | |
| 62 | S | 30 | Very low | 34.4 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | | | trans | -27.3 | 158.6 | 156.3 | -174.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 63 | A | 31.1 | Very low | 34.4 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | cis | -170.6 | -171 | -24 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 64 | T | 33.2 | Very low | 33.4 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | | | trans | -73.9 | 176.2 | 171.9 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 65 | P | 47.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | cis | -149.8 | -163.9 | 26.3 | 44.5 | -20.9 | 0 | 0 | 0 | 118.8 | | |
| 66 | T | 33.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | | | trans | -68 | 146.9 | -172.1 | 52.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 67 | A | 28.6 | Very low | 33 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -155.2 | 152.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 68 | I | 31.3 | Very low | 33 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -91.1 | 147.3 | -176.4 | -57.6 | 151.8 | 0 | 0 | 0 | 110.5 | | |
| 69 | T | 27.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 175.6 | 125.8 | 140.6 | -82.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 70 | V | 30.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 49.3 | 136.2 | 147.2 | 179.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 71 | N | 30.9 | Very low | 31.7 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | -22.8 | 143.2 | 165.8 | -52.5 | -6.3 | 0 | 0 | 0 | 120.5 | | |
| 72 | G | 28.4 | Very low | 31.7 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | -141.3 | 154.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 73 | S | 30 | Very low | 31.7 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -120.2 | 155.4 | -166.1 | -57.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 74 | A | 29.2 | Very low | 31.8 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 104.5 | 137.9 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 75 | A | 29.2 | Very low | 32.3 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 95.5 | 145.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 76 | A | 31.6 | Very low | 31.6 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | 60 | 124.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 77 | T | 31.9 | Very low | 31.7 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | cis | 132.3 | 116.8 | 0.6 | 44.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 78 | E | 34.3 | Very low | 31.8 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | 72.7 | 151.3 | 145.6 | -63.2 | 162.1 | -177.8 | 0 | 0 | 118.4 | | |
| 79 | D | 30.7 | Very low | 31.7 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | | | cis | -138.1 | -177.3 | 7.9 | -160.5 | 12.3 | 0 | 0 | 0 | 113.9 | | |
| 80 | Q | 37.6 | Very low | 31.8 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | trans | -95.2 | 179.2 | -158.4 | -55.2 | 151.9 | 83.3 | 0 | 0 | 114.6 | | |
| 81 | S | 28.2 | Very low | 31.9 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | -170 | 130.7 | 88.8 | -70.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 82 | S | 29.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -166.4 | 139.7 | 145.3 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 83 | N | 31.4 | Very low | 32.6 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | 63.1 | 114.6 | 153.5 | -72.7 | 8.8 | 0 | 0 | 0 | 124.4 | | |
| 84 | S | 32.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | | 95.7 | 150 | 126.5 | -62.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 85 | P | 44.3 | Very low | 33.4 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -118 | 120.1 | -159.1 | 21 | 2.9 | 0 | 0 | 0 | 116.7 | | |
| 86 | V | 33.3 | Very low | 33.5 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | | | trans | 42.8 | 141.9 | 134.1 | -84.7 | 0 | 0 | 0 | 0 | 126.2 | | |
| 87 | T | 34.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | 90 | 118.9 | 138.7 | 42.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 88 | D | 30.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | -100.6 | 163.9 | 148.2 | -106.9 | -52.2 | 0 | 0 | 0 | 109.7 | | |
| 89 | G | 30 | Very low | 33.4 | Very low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 157.1 | 94.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 90 | A | 29.7 | Very low | 33.3 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | 62.1 | 118.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 91 | F | 32.7 | Very low | 33.2 | Very low | 199 Ų | 199 | 121.8 Ų | 121.8 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | | | trans | 20 | 145.3 | 130.4 | -60.7 | -69.5 | 0 | 0 | 0 | 122.3 | | |
| 92 | P | 42.9 | Very low | 34.3 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | | -147.2 | -172.1 | 52.4 | 41.4 | -20.5 | 0 | 0 | 0 | 118.5 | | |
| 93 | S | 30.3 | Very low | 34.6 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -95 | -172 | 178.8 | -40.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 94 | P | 46.8 | Very low | 34.6 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | cis | -141.6 | -178.7 | -0 | 44.2 | -25.9 | 0 | 0 | 0 | 117.7 | | |
| 95 | G | 29.4 | Very low | 34.5 | Very low | 71 Ų | 71 | 120.6 Ų | 120.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | 136.7 | 132.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 96 | H | 32.3 | Very low | 34 | Very low | 191 Ų | 191 | 123 Ų | 123 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | | | trans | 11.2 | 123 | 163.7 | -66.1 | 129.3 | 0 | 0 | 0 | 119.7 | | |
| 97 | D | 29.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | cis | 66 | 132.2 | 12.1 | -155.3 | -126.8 | 0 | 0 | 0 | 115.5 | | |
| 98 | S | 33.8 | Very low | 34.2 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | cis | -155.8 | 174.3 | 8.8 | -145.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 99 | G | 30.6 | Very low | 34.3 | Very low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | 149.3 | 126.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 100 | G | 29.8 | Very low | 34.3 | Very low | 82 Ų | 82 | 120.2 Ų | 120.2 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | 139.3 | 101.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 101 | S | 35.3 | Very low | 34.7 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -90.4 | 171.5 | 169.9 | -38.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 102 | P | 50.3 | Low | 34.7 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | | -122.8 | 150.5 | 51.7 | 3.8 | 22.5 | 0 | 0 | 0 | 115.1 | | |
| 103 | L | 35.6 | Very low | 34.1 | Very low | 160 Ų | 160 | 116.2 Ų | 116.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | | 77.8 | 130.3 | 69.5 | -157.6 | 75.9 | 0 | 0 | 0 | 112.8 | | |
| 104 | S | 33.2 | Very low | 34.2 | Very low | 83 Ų | 83 | 115.6 Ų | 115.6 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | | | cis | -153.9 | 137.1 | 0 | -116.1 | 0 | 0 | 0 | 0 | 109 | | |
| 105 | T | 30.5 | Very low | 33.7 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 64% | 0.644 | 78% | 0.784 | S | S | * | * | | | | 64.5 | 144.8 | 82.5 | 68.3 | 0 | 0 | 0 | 0 | 119 | | |
| 106 | H | 33.1 | Very low | 34 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 99.1 | 88.1 | 161.8 | -50.3 | -60.9 | 0 | 0 | 0 | 121.6 | | |
| 107 | S | 28.9 | Very low | 34.3 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | | -10 | 168 | 118.6 | 62.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 108 | P | 43.9 | Very low | 34.6 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | cis | -139.3 | -169 | 14.9 | 40.6 | -20 | 0 | 0 | 0 | 116.4 | | |
| 109 | S | 30.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 114.4 Ų | 114.4 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -70 | 147.1 | 177 | 178.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 110 | A | 31.5 | Very low | 35.4 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -147.9 | 154.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 111 | T | 37.6 | Very low | 36.1 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -89.9 | 132.9 | -169.7 | 173.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 112 | S | 31.8 | Very low | 36.4 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | 168.8 | 157.7 | 138.1 | -79.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 113 | G | 31.9 | Very low | 36.4 | Very low | 78 Ų | 78 | 118 Ų | 118 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 114.3 | 104.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 114 | A | 32 | Very low | 36.8 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | trans | -53.5 | 179.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 115 | L | 35.2 | Very low | 37.3 | Very low | 158 Ų | 158 | 119.8 Ų | 119.8 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | 89.9 | 95 | 160.2 | -48.9 | -178.7 | 0 | 0 | 0 | 118.4 | | |
| 116 | T | 36.4 | Very low | 37.9 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | | | | 176.3 | 128.2 | 124.5 | 25.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 117 | P | 39.3 | Very low | 38.5 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | -107.3 | 89.4 | 173 | 36.1 | -27.5 | 0 | 0 | 0 | 112.1 | | |
| 118 | S | 36.5 | Very low | 39.3 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -134.3 | 108.5 | 175.9 | -78.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 119 | G | 44.4 | Very low | 39.6 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | 49.3 | 80.9 | 144 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 120 | L | 36.9 | Very low | 41 | Very low | 181 Ų | 181 | 126.7 Ų | 126.7 | 95% | 0.948 | 82% | 0.819 | S | S | * | * | | | trans | -122.6 | 120.4 | 149.3 | -94.6 | 166.2 | 0 | 0 | 0 | 109.6 | A122 | L120-A122 PolarHBondContact O-N 2.98Š|
| 121 | A | 42.4 | Very low | 42.2 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -80 | 105.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A123 | A121-A123 PolarHBondContact O-N 3.14Š|
| 122 | A | 41.7 | Very low | 43 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -64.5 | 114.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | L120 Q124 | L120-A122 PolarHBondContact O-N 2.98Å; A122-Q124 VanDerWaalsContact C-N 3.29Å; A122-Q124 PolarHBondContact O-N 3.14Å |
| 123 | A | 51 | Low | 44.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | | | trans | -69.8 | 80.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A121 | A121-A123 PolarHBondContact O-N 3.14Š|
| 124 | Q | 45.3 | Very low | 47.3 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -77.9 | 130.8 | 165 | -64.1 | -166.9 | 18.2 | 0 | 0 | 109.3 | A122 | A122-Q124 VanDerWaalsContact C-N 3.29Å; A122-Q124 PolarHBondContact O-N 3.14Å |
| 125 | T | 42.3 | Very low | 49.7 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | -50.9 | 145.6 | 173.6 | 52.7 | 0 | 0 | 0 | 0 | 111 | R127 | T125-R127 PolarHBondContact O-N 2.66Š|
| 126 | P | 43.1 | Very low | 52.1 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -70.9 | 77.8 | 178.5 | 29.5 | -35.1 | 0 | 0 | 0 | 111.2 | K128 | P126-K128 PolarHBondContact O-N 2.86Š|
| 127 | R | 46.9 | Very low | 54.6 | Low | 215 Ų | 215 | 121.9 Ų | 121.9 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | | | trans | -45.1 | 121.3 | 153.4 | -66.4 | -80.7 | -167.8 | 155.1 | 3.2 | 106 | T125 A129 | T125-R127 PolarHBondContact O-N 2.66Å; R127-A129 PolarHBondContact O-N 2.87Å |
| 128 | K | 45.7 | Very low | 57 | Low | 207 Ų | 207 | 121.3 Ų | 121.3 | 90% | 0.9 | 71% | 0.707 | S | S | * | * | | | trans | -57.7 | 91.4 | -169.2 | -68.7 | 178.2 | 178.1 | 177.6 | 0 | 111.4 | P126 S130 | P126-K128 PolarHBondContact O-N 2.86Å; K128-S130 PolarHBondContact O-N 2.63Å |
| 129 | A | 48.9 | Very low | 59.7 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 88% | 0.876 | 68% | 0.682 | S | S | * | * | | | trans | -83 | 53 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R127 | R127-A129 PolarHBondContact O-N 2.87Š|
| 130 | S | 60.2 | Low | 62 | Low | 106 Ų | 106 | 116.9 Ų | 116.9 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | | | trans | -136.3 | 153 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | K128 | K128-S130 PolarHBondContact O-N 2.63Š|
| 131 | S | 55.8 | Low | 64.8 | Low | 96 Ų | 96 | 110.3 Ų | 110.3 | 67% | 0.671 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 64 | 98.1 | -173.1 | -158.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 132 | R | 55.1 | Low | 67.3 | Low | 225 Ų | 225 | 105.9 Ų | 105.9 | 85% | 0.849 | 59% | 0.585 | S | S | * | * | | | cis | -142.8 | 125.9 | -2.3 | -53.4 | 178.5 | -169.1 | -161.5 | 3.4 | 108 | | |
| 133 | R | 70.8 | Confident | 69.9 | Low | 192 Ų | 192 | 104.7 Ų | 104.7 | 73% | 0.725 | 57% | 0.567 | S | S | * | * | | | trans | -88 | 134.7 | 165 | -70 | 170.4 | 66.1 | -177.1 | -7.5 | 107 | N138 | R133-N138 WeakPolarHBondContact CG-OD1 3.3Å; R133-N138 PolarHBondContact NE-OD1 2.72Å |
| 134 | N | 82.7 | Confident | 72 | Confident | 66 Ų | 66 | 99.9 Ų | 99.9 | 35% | 0.353 | 53% | 0.526 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 159 | 177 | -60.6 | -41.3 | 0 | 0 | 0 | 109.2 | W136 G137 L139 | N134-W136 HydrophobicContact CB-CD2 3.73Å; N134-W136 HydrophobicContact CB-CE3 4.3Å; N134-W136 HydrophobicContact CB-CG 4.06Å; N134-W136 HydrophobicContact CB-CH2 4.28Å; N134-W136 HydrophobicContact CB-CZ2 3.71Å; N134-W136 PolarHBondContact ND2-NE1 3.27Å; N134-W136 PolarHBondContact O-N 2.76Å; N134-W136 VanDerWaalsContact O-N 3.09Å; N134-G137 WeakPolarHBondContact CB-O 3.22Å; N134-G137 PolarHBondContact N-O 2.98Å; N134-G137 WeakPolarHBondContact O-CA 3.49Å; N134-G137 PolarHBondContact O-N 3.37Å; N134-L139 PolarHBondContact ND2-O 2.82Å; N134-L139 VanDerWaalsContact ND2-O 3.08Å |
| 135 | A | 82.1 | Confident | 74.4 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y172 | A135-Y172 HydrophobicContact CB-CD1 4.34Å; A135-Y172 HydrophobicContact CB-CD2 3.29Å; A135-Y172 HydrophobicContact CB-CE1 4.38Å; A135-Y172 HydrophobicContact CB-CE2 3.34Å; A135-Y172 HydrophobicContact CB-CG 3.82Å |
| 136 | W | 86.4 | Confident | 77 | Confident | 45 Ų | 45 | 87.5 Ų | 87.5 | 17% | 0.17 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 15.9 | 170.3 | 55.4 | 82.3 | 0 | 0 | 0 | 114 | N134 L139 Y141 L144 I170 Y172 F173 | N134-W136 HydrophobicContact CB-CD2 3.73Å; N134-W136 HydrophobicContact CB-CE3 4.3Å; N134-W136 HydrophobicContact CB-CG 4.06Å; N134-W136 HydrophobicContact CB-CH2 4.28Å; N134-W136 HydrophobicContact CB-CZ2 3.71Å; N134-W136 PolarHBondContact ND2-NE1 3.27Å; N134-W136 PolarHBondContact O-N 2.76Å; N134-W136 VanDerWaalsContact O-N 3.09Å; W136-L139 PolarHBondContact NE1-O 3.09Å; W136-Y141 AromaticContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE2 4.02Å; W136-Y141 AromaticContact CH2-CZ 3.46Å; W136-Y141 VanDerWaalsContact CH2-CZ 3.46Å; W136-Y141 WeakPolarHBondContact CH2-OH 3.46Å; W136-Y141 HydrophobicContact CZ2-CD1 4.32Å; W136-Y141 HydrophobicContact CZ2-CD2 4.38Å; W136-Y141 AromaticContact CZ2-CE1 3.76Å; W136-Y141 HydrophobicContact CZ2-CE1 3.76Å; W136-Y141 AromaticContact CZ2-CE2 3.81Å; W136-Y141 HydrophobicContact CZ2-CE2 3.81Å; W136-Y141 AromaticContact CZ2-CZ 3.5Å; W136-Y141 VanDerWaalsContact CZ2-CZ 3.5Å; W136-L144 HydrophobicContact CG-CD1 4.2Å; W136-I170 HydrophobicContact CB-CG2 3.38Å; W136-I170 HydrophobicContact CG-CG2 4.34Å; W136-Y172 AromaticContact CE3-CD1 3.52Å; W136-Y172 HydrophobicContact CE3-CD1 3.52Å; W136-Y172 AromaticContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CG 4.19Å; W136-Y172 AromaticContact CZ3-CD1 3.82Å; W136-Y172 HydrophobicContact CZ3-CD1 3.82Å; W136-Y172 AromaticContact CZ3-CE1 3.68Å; W136-Y172 HydrophobicContact CZ3-CE1 3.68Å; W136-F173 AromaticContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CZ 4.13Å; W136-F173 HydrophobicContact CE3-CE1 4.42Å; W136-F173 AromaticContact CE3-CE2 3.69Å; W136-F173 HydrophobicContact CE3-CE2 3.69Å; W136-F173 AromaticContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CG-CE2 4.49Å; W136-F173 AromaticContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CZ2-CZ 4.47Å; W136-F173 HydrophobicContact CZ3-CE1 4.15Å; W136-F173 HydrophobicContact CZ3-CE2 4.08Å; W136-F173 AromaticContact CZ3-CZ 3.42Å; W136-F173 HydrophobicContact CZ3-CZ 3.42Å; W136-F173 VanDerWaalsContact CZ3-CZ 3.42Å |
| 137 | G | 89.8 | Confident | 79.5 | Confident | 22 Ų | 22 | 86.3 Ų | 86.3 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | 95.4 | -146.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N134 | N134-G137 WeakPolarHBondContact CB-O 3.22Å; N134-G137 PolarHBondContact N-O 2.98Å; N134-G137 WeakPolarHBondContact O-CA 3.49Å; N134-G137 PolarHBondContact O-N 3.37Å |
| 138 | N | 90 | Very high | 81.9 | Confident | 121 Ų | 121 | 76 Ų | 76 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -89.3 | -0.4 | -169.3 | -58.6 | -15.7 | 0 | 0 | 0 | 114 | R133 | R133-N138 WeakPolarHBondContact CG-OD1 3.3Å; R133-N138 PolarHBondContact NE-OD1 2.72Å |
| 139 | L | 91.4 | Very high | 84.3 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | | | trans | -84.3 | 134.4 | -175 | -63 | 171 | 0 | 0 | 0 | 110.9 | N134 W136 D143 L144 K147 | N134-L139 PolarHBondContact ND2-O 2.82Å; N134-L139 VanDerWaalsContact ND2-O 3.08Å; W136-L139 PolarHBondContact NE1-O 3.09Å; L139-D143 HydrophobicContact CB-CB 4.24Å; L139-D143 HydrophobicContact CD2-CB 3.97Å; L139-L144 HydrophobicContact CB-CD2 3.85Å; L139-L144 HydrophobicContact CB-CG 4.06Å; L139-L144 HydrophobicContact CD1-CD2 3.68Å; L139-L144 HydrophobicContact CG-CD2 4.41Å; L139-K147 HydrophobicContact CD1-CD 4.35Å |
| 140 | S | 94.1 | Very high | 86.6 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | | | trans | -71.5 | 159.1 | 167.4 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | A142 D143 L144 | S140-A142 PolarHBondContact O-N 3.37Å; S140-D143 WeakPolarHBondContact CB-OD2 3.22Å; S140-D143 PolarHBondContact N-OD2 2.67Å; S140-D143 PolarHBondContact O-N 3.16Å; S140-L144 WeakPolarHBondContact O-CG 3.42Å; S140-L144 PolarHBondContact O-N 3.19Å |
| 141 | Y | 95.4 | Very high | 88.3 | Confident | 43 Ų | 43 | 63 Ų | 63 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.5 | -38.8 | 169.7 | -76.6 | -64.4 | 0 | 0 | 0 | 111.6 | W136 D143 L144 I145 F173 S188 I189 | W136-Y141 AromaticContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE2 4.02Å; W136-Y141 AromaticContact CH2-CZ 3.46Å; W136-Y141 VanDerWaalsContact CH2-CZ 3.46Å; W136-Y141 WeakPolarHBondContact CH2-OH 3.46Å; W136-Y141 HydrophobicContact CZ2-CD1 4.32Å; W136-Y141 HydrophobicContact CZ2-CD2 4.38Å; W136-Y141 AromaticContact CZ2-CE1 3.76Å; W136-Y141 HydrophobicContact CZ2-CE1 3.76Å; W136-Y141 AromaticContact CZ2-CE2 3.81Å; W136-Y141 HydrophobicContact CZ2-CE2 3.81Å; W136-Y141 AromaticContact CZ2-CZ 3.5Å; W136-Y141 VanDerWaalsContact CZ2-CZ 3.5Å; Y141-D143 VanDerWaalsContact C-N 3.33Å; Y141-D143 PolarHBondContact O-N 2.91Å; Y141-L144 HydrophobicContact CD1-CD1 4.42Å; Y141-L144 PolarHBondContact O-N 3.5Å; Y141-I145 WeakPolarHBondContact O-CB 3.48Å; Y141-I145 WeakPolarHBondContact O-CD1 3.34Å; Y141-I145 WeakPolarHBondContact O-CG1 3.4Å; Y141-I145 PolarHBondContact O-N 3.25Å; Y141-F173 AromaticContact CE1-CZ 3.96Å; Y141-F173 HydrophobicContact CE1-CZ 3.96Å; Y141-S188 WeakPolarHBondContact CE2-OG 3.18Å; Y141-S188 PolarHBondContact OH-OG 2.85Å; Y141-I189 HydrophobicContact CD1-CD1 3.56Å; Y141-I189 HydrophobicContact CD1-CG1 4.41Å; Y141-I189 HydrophobicContact CE1-CD1 4.15Å; Y141-I189 HydrophobicContact CG-CD1 4.32Å |
| 142 | A | 95.2 | Very high | 90.1 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | S140 T146 N192 F199 | S140-A142 PolarHBondContact O-N 3.37Å; A142-T146 WeakPolarHBondContact O-CB 3.46Å; A142-T146 PolarHBondContact O-N 3.38Å; A142-T146 PolarHBondContact O-OG1 3.3Å; A142-N192 PolarHBondContact N-OD1 2.92Å; A142-F199 HydrophobicContact CB-CE2 4.32Å; A142-F199 HydrophobicContact CB-CZ 4.42Å; A142-F199 WeakPolarHBondContact O-CZ 3.42Å |
| 143 | D | 95.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 54 Ų | 54 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.6 | -36.5 | 178.9 | -51.8 | -49.9 | 0 | 0 | 0 | 111.4 | L139 S140 Y141 T146 K147 | L139-D143 HydrophobicContact CB-CB 4.24Å; L139-D143 HydrophobicContact CD2-CB 3.97Å; S140-D143 WeakPolarHBondContact CB-OD2 3.22Å; S140-D143 PolarHBondContact N-OD2 2.67Å; S140-D143 PolarHBondContact O-N 3.16Å; Y141-D143 VanDerWaalsContact C-N 3.33Å; Y141-D143 PolarHBondContact O-N 2.91Å; D143-T146 PolarHBondContact O-N 3.18Å; D143-K147 WeakPolarHBondContact O-CG 3.44Å; D143-K147 PolarHBondContact O-N 3.29Å |
| 144 | L | 95.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 174.7 | -64.2 | 175.3 | 0 | 0 | 0 | 111.8 | W136 L139 S140 Y141 T146 K147 A148 W165 M166 I170 | W136-L144 HydrophobicContact CG-CD1 4.2Å; L139-L144 HydrophobicContact CB-CD2 3.85Å; L139-L144 HydrophobicContact CB-CG 4.06Å; L139-L144 HydrophobicContact CD1-CD2 3.68Å; L139-L144 HydrophobicContact CG-CD2 4.41Å; S140-L144 WeakPolarHBondContact O-CG 3.42Å; S140-L144 PolarHBondContact O-N 3.19Å; Y141-L144 HydrophobicContact CD1-CD1 4.42Å; Y141-L144 PolarHBondContact O-N 3.5Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 3.33Å; L144-K147 PolarHBondContact O-N 2.87Å; L144-A148 PolarHBondContact O-N 3.25Å; L144-W165 HydrophobicContact CB-CZ3 4.37Å; L144-W165 WeakPolarHBondContact O-CZ3 3.49Å; L144-M166 HydrophobicContact CB-CE 3.57Å; L144-M166 HydrophobicContact CB-SD 3.79Å; L144-M166 HydrophobicContact CD1-SD 4.1Å; L144-I170 HydrophobicContact CB-CD1 4.47Å; L144-I170 HydrophobicContact CD1-CD1 3.61Å; L144-I170 HydrophobicContact CD2-CD1 3.74Å; L144-I170 HydrophobicContact CD2-CG1 4.41Å; L144-I170 HydrophobicContact CG-CD1 4.14Å |
| 145 | I | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.4 | -66.3 | 160.3 | 0 | 0 | 0 | 110.2 | Y141 K147 A148 I149 I162 M166 I189 N192 L193 F199 | Y141-I145 WeakPolarHBondContact O-CB 3.48Å; Y141-I145 WeakPolarHBondContact O-CD1 3.34Å; Y141-I145 WeakPolarHBondContact O-CG1 3.4Å; Y141-I145 PolarHBondContact O-N 3.25Å; I145-K147 PolarHBondContact O-N 2.77Å; I145-A148 WeakPolarHBondContact O-CB 3.47Å; I145-A148 PolarHBondContact O-N 2.91Å; I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 3.25Å; I145-I162 HydrophobicContact CG1-CG2 4.24Å; I145-I162 HydrophobicContact CG2-CD1 4.48Å; I145-M166 HydrophobicContact CB-CE 4.48Å; I145-M166 HydrophobicContact CG1-CE 3.78Å; I145-I189 HydrophobicContact CD1-CD1 3.94Å; I145-I189 HydrophobicContact CD1-CG2 4.24Å; I145-I189 HydrophobicContact CG1-CD1 3.87Å; I145-I189 HydrophobicContact CG1-CG2 4.42Å; I145-N192 HydrophobicContact CD1-CB 3.59Å; I145-L193 HydrophobicContact CD1-CD2 4.44Å; I145-L193 HydrophobicContact CD1-CG 4.21Å; I145-L193 HydrophobicContact CG2-CD2 3.58Å; I145-L193 HydrophobicContact CG2-CG 4.45Å; I145-F199 HydrophobicContact CB-CE1 4.15Å; I145-F199 HydrophobicContact CB-CE2 4.44Å; I145-F199 HydrophobicContact CB-CZ 3.85Å; I145-F199 HydrophobicContact CG2-CD1 3.94Å; I145-F199 HydrophobicContact CG2-CE1 3.48Å; I145-F199 VanDerWaalsContact CG2-CE1 3.48Å; I145-F199 HydrophobicContact CG2-CE2 4.14Å; I145-F199 HydrophobicContact CG2-CG 4.46Å; I145-F199 HydrophobicContact CG2-CZ 3.6Å |
| 146 | T | 96.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 110 | A142 D143 L144 A148 I149 E150 I215 | A142-T146 WeakPolarHBondContact O-CB 3.46Å; A142-T146 PolarHBondContact O-N 3.38Å; A142-T146 PolarHBondContact O-OG1 3.3Å; D143-T146 PolarHBondContact O-N 3.18Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 3.33Å; T146-A148 PolarHBondContact O-N 2.96Å; T146-I149 PolarHBondContact O-N 3.01Å; T146-E150 HydrophobicContact CG2-CG 4.4Å; T146-E150 WeakPolarHBondContact O-CB 3.3Å; T146-E150 WeakPolarHBondContact O-CG 3.08Å; T146-E150 PolarHBondContact O-N 2.84Å; T146-I215 HydrophobicContact CG2-CD1 3.78Å; T146-I215 HydrophobicContact CG2-CG1 4.46Å |
| 147 | K | 95.8 | Very high | 94.6 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 176.6 | -74.5 | -179.7 | 177.3 | -173.5 | 0 | 113.7 | L139 D143 L144 I145 S151 W165 | L139-K147 HydrophobicContact CD1-CD 4.35Å; D143-K147 WeakPolarHBondContact O-CG 3.44Å; D143-K147 PolarHBondContact O-N 3.29Å; L144-K147 PolarHBondContact O-N 2.87Å; I145-K147 PolarHBondContact O-N 2.77Å; K147-S151 VanDerWaalsContact O-CB 3.3Å; K147-S151 WeakPolarHBondContact O-CB 3.33Å; K147-S151 PolarHBondContact O-N 3.16Å; K147-S151 PolarHBondContact O-OG 2.93Å; K147-W165 HydrophobicContact CB-CH2 3.7Å; K147-W165 HydrophobicContact CB-CZ2 3.92Å |
| 148 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.4 | -55.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L144 I145 T146 E150 S151 S152 L157 W165 | L144-A148 PolarHBondContact O-N 3.25Å; I145-A148 WeakPolarHBondContact O-CB 3.47Å; I145-A148 PolarHBondContact O-N 2.91Å; T146-A148 PolarHBondContact O-N 2.96Å; A148-E150 PolarHBondContact O-N 2.84Å; A148-S151 PolarHBondContact O-N 3.39Å; A148-S151 VanDerWaalsContact O-N 3.16Å; A148-S151 PolarHBondContact O-OG 3Å; A148-S152 PolarHBondContact O-N 3.24Å; A148-L157 HydrophobicContact CB-CD1 3.91Å; A148-L157 WeakPolarHBondContact O-CD1 3.43Å; A148-W165 HydrophobicContact CB-CB 4.15Å; A148-W165 HydrophobicContact CB-CD2 3.47Å; A148-W165 VanDerWaalsContact CB-CD2 3.47Å; A148-W165 HydrophobicContact CB-CE3 3.6Å; A148-W165 HydrophobicContact CB-CG 3.7Å; A148-W165 HydrophobicContact CB-CZ3 4.19Å |
| 149 | I | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | -179 | -61.6 | 170 | 0 | 0 | 0 | 110.9 | I145 T146 S151 S152 K155 L157 F199 W213 I215 | I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 3.25Å; T146-I149 PolarHBondContact O-N 3.01Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 3.36Å; I149-S152 PolarHBondContact O-N 3.39Å; I149-S152 PolarHBondContact O-OG 3.28Å; I149-K155 WeakPolarHBondContact CG2-O 3.35Å; I149-L157 HydrophobicContact CG1-CB 4.48Å; I149-F199 HydrophobicContact CD1-CD1 4.02Å; I149-F199 HydrophobicContact CD1-CE1 4.31Å; I149-W213 HydrophobicContact CD1-CB 4.33Å; I149-I215 HydrophobicContact CB-CD1 3.88Å; I149-I215 HydrophobicContact CB-CG1 4.07Å; I149-I215 HydrophobicContact CD1-CG1 4.31Å; I149-I215 HydrophobicContact CG2-CD1 3.84Å; I149-I215 HydrophobicContact CG2-CG1 3.85Å |
| 150 | E | 96.1 | Very high | 95.3 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.9 | -27.6 | 175 | -74 | -161.1 | 120.6 | 0 | 0 | 113.7 | T146 A148 S152 K155 I215 K221 | T146-E150 HydrophobicContact CG2-CG 4.4Å; T146-E150 WeakPolarHBondContact O-CB 3.3Å; T146-E150 WeakPolarHBondContact O-CG 3.08Å; T146-E150 PolarHBondContact O-N 2.84Å; A148-E150 PolarHBondContact O-N 2.84Å; E150-S152 VanDerWaalsContact C-N 3.34Å; E150-K155 PolarHBondContact O-NZ 3.03Å; E150-I215 HydrophobicContact CG-CD1 3.5Å; E150-K221 WeakPolarHBondContact OE1-CE 3.4Å; E150-K221 IonicContact OE1-NZ 3.86Å; E150-K221 PolarHBondContact OE1-NZ 2.71Å |
| 151 | S | 95.4 | Very high | 95.4 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -76.5 | -19.6 | 176.4 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | K147 A148 I149 W165 | K147-S151 VanDerWaalsContact O-CB 3.3Å; K147-S151 WeakPolarHBondContact O-CB 3.33Å; K147-S151 PolarHBondContact O-N 3.16Å; K147-S151 PolarHBondContact O-OG 2.93Å; A148-S151 PolarHBondContact O-N 3.39Å; A148-S151 VanDerWaalsContact O-N 3.16Å; A148-S151 PolarHBondContact O-OG 3Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 3.36Å; S151-W165 PolarHBondContact OG-NE1 3.18Å |
| 152 | S | 94.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -69.7 | 144.5 | 172.6 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | A148 I149 E150 E154 K155 R156 | A148-S152 PolarHBondContact O-N 3.24Å; I149-S152 PolarHBondContact O-N 3.39Å; I149-S152 PolarHBondContact O-OG 3.28Å; E150-S152 VanDerWaalsContact C-N 3.34Å; S152-E154 VanDerWaalsContact C-N 3.33Å; S152-K155 WeakPolarHBondContact O-CD 3.3Å; S152-K155 PolarHBondContact O-NZ 2.84Å; S152-K155 VanDerWaalsContact OG-CA 3.24Å; S152-K155 WeakPolarHBondContact OG-CA 3.11Å; S152-K155 PolarHBondContact OG-N 3.43Å; S152-R156 PolarHBondContact OG-N 3.47Å; S152-R156 PolarHBondContact OG-O 2.86Å |
| 153 | P | 93.4 | Very high | 95.4 | Very high | 123 Ų | 123 | 47.7 Ų | 47.7 | 80% | 0.799 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -39.7 | 175.6 | 24.6 | -31.4 | 0 | 0 | 0 | 111.2 | K155 | P153-K155 VanDerWaalsContact C-N 3.32Å; P153-K155 PolarHBondContact O-N 3.15Å |
| 154 | E | 91.9 | Very high | 95.4 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 51% | 0.505 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.8 | -176.9 | -54.6 | -171.4 | 137.3 | 0 | 0 | 114.6 | S152 R156 | S152-E154 VanDerWaalsContact C-N 3.33Å; E154-R156 HydrophobicContact CB-CG 3.75Å; E154-R156 PolarHBondContact O-N 3.29Å; E154-R156 VanDerWaalsContact O-N 3.14Å; E154-R156 IonicContact OE1-CZ 2.67Å; E154-R156 IonicContact OE1-NH2 3.66Å; E154-R156 PolarHBondContact OE1-NH2 3.48Å; E154-R156 IonicContact OE2-CZ 2.63Å; E154-R156 VanDerWaalsContact OE2-CZ 3.27Å; E154-R156 IonicContact OE2-NE 3.27Å; E154-R156 PolarHBondContact OE2-NE 3.47Å; E154-R156 IonicContact OE2-NH2 3.58Å; E154-R156 PolarHBondContact OE2-NH2 3.4Å |
| 155 | K | 94.9 | Very high | 95.4 | Very high | 109 Ų | 109 | 49.6 Ų | 49.6 | 47% | 0.474 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 53.7 | 28.2 | -174.5 | -49.9 | -56.6 | 169.8 | -149.2 | 0 | 114.5 | I149 E150 S152 P153 | I149-K155 WeakPolarHBondContact CG2-O 3.35Å; E150-K155 PolarHBondContact O-NZ 3.03Å; S152-K155 WeakPolarHBondContact O-CD 3.3Å; S152-K155 PolarHBondContact O-NZ 2.84Å; S152-K155 VanDerWaalsContact OG-CA 3.24Å; S152-K155 WeakPolarHBondContact OG-CA 3.11Å; S152-K155 PolarHBondContact OG-N 3.43Å; P153-K155 VanDerWaalsContact C-N 3.32Å; P153-K155 PolarHBondContact O-N 3.15Å |
| 156 | R | 94.7 | Very high | 95.3 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 28% | 0.279 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.9 | 175.2 | 64.6 | -176.6 | -179.1 | -171.2 | -4.9 | 109.8 | S152 E154 W212 W213 M214 | S152-R156 PolarHBondContact OG-N 3.47Å; S152-R156 PolarHBondContact OG-O 2.86Å; E154-R156 HydrophobicContact CB-CG 3.75Å; E154-R156 PolarHBondContact O-N 3.29Å; E154-R156 VanDerWaalsContact O-N 3.14Å; E154-R156 IonicContact OE1-CZ 2.67Å; E154-R156 IonicContact OE1-NH2 3.66Å; E154-R156 PolarHBondContact OE1-NH2 3.48Å; E154-R156 IonicContact OE2-CZ 2.63Å; E154-R156 VanDerWaalsContact OE2-CZ 3.27Å; E154-R156 IonicContact OE2-NE 3.27Å; E154-R156 PolarHBondContact OE2-NE 3.47Å; E154-R156 IonicContact OE2-NH2 3.58Å; E154-R156 PolarHBondContact OE2-NH2 3.4Å; R156-W212 HydrophobicContact CB-CB 4.38Å; R156-W212 HydrophobicContact CB-CD2 4.46Å; R156-W212 HydrophobicContact CB-CE3 4.1Å; R156-W212 HydrophobicContact CG-CD2 4.12Å; R156-W212 HydrophobicContact CG-CE3 3.78Å; R156-W212 HydrophobicContact CG-CZ3 4.17Å; R156-W213 WeakPolarHBondContact CA-O 3.2Å; R156-M214 HydrophobicContact CB-CB 4.48Å; R156-M214 HydrophobicContact CB-CG 3.7Å; R156-M214 HydrophobicContact CB-SD 3.9Å |
| 157 | L | 96.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.7 | 172.8 | -71.7 | -178.8 | 0 | 0 | 0 | 110.5 | A148 I149 Q161 I162 W213 | A148-L157 HydrophobicContact CB-CD1 3.91Å; A148-L157 WeakPolarHBondContact O-CD1 3.43Å; I149-L157 HydrophobicContact CG1-CB 4.48Å; L157-Q161 HydrophobicContact CB-CB 4.2Å; L157-Q161 HydrophobicContact CD2-CB 3.96Å; L157-I162 HydrophobicContact CB-CD1 4.37Å; L157-I162 HydrophobicContact CB-CG1 3.83Å; L157-I162 HydrophobicContact CD1-CG1 4.05Å; L157-W213 PolarHBondContact N-O 3.2Å; L157-W213 PolarHBondContact O-N 3.02Å |
| 158 | T | 96.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 163.3 | 167.3 | 73.5 | 0 | 0 | 0 | 0 | 110.9 | S160 Q161 I162 S210 W212 | T158-S160 PolarHBondContact O-N 2.99Å; T158-Q161 PolarHBondContact O-N 3.38Å; T158-Q161 VanDerWaalsContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.44Å; T158-Q161 PolarHBondContact OG1-N 3.17Å; T158-I162 WeakPolarHBondContact O-CG1 3.24Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.08Å; T158-S210 WeakPolarHBondContact CB-OG 3.45Å; T158-S210 WeakPolarHBondContact CG2-OG 3.4Å; T158-W212 HydrophobicContact CG2-CD2 4.37Å; T158-W212 HydrophobicContact CG2-CE3 3.8Å; T158-W212 HydrophobicContact CG2-CH2 4.13Å; T158-W212 HydrophobicContact CG2-CZ3 3.67Å |
| 159 | L | 95.7 | Very high | 94.8 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.6 | -37.1 | 176.8 | 179.9 | 60.5 | 0 | 0 | 0 | 112.7 | I162 Y163 I189 R190 L193 | L159-I162 PolarHBondContact O-N 2.97Å; L159-Y163 HydrophobicContact CD1-CE1 3.85Å; L159-Y163 HydrophobicContact CD1-CE2 4.49Å; L159-Y163 HydrophobicContact CG-CE1 4.27Å; L159-Y163 HydrophobicContact CG-CE2 4.01Å; L159-Y163 PolarHBondContact O-N 3.12Å; L159-I189 HydrophobicContact CD1-CG2 4.27Å; L159-R190 HydrophobicContact CD1-CG 3.99Å; L159-R190 HydrophobicContact CD2-CG 3.98Å; L159-L193 HydrophobicContact CD1-CD1 3.63Å |
| 160 | S | 94.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 44% | 0.441 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 175.7 | -162.9 | 0 | 0 | 0 | 0 | 111.5 | T158 I162 Y163 D164 | T158-S160 PolarHBondContact O-N 2.99Å; S160-I162 PolarHBondContact O-N 3.42Å; S160-Y163 WeakPolarHBondContact O-CA 3.49Å; S160-Y163 WeakPolarHBondContact O-CB 3.37Å; S160-Y163 PolarHBondContact O-N 3.03Å; S160-D164 PolarHBondContact O-N 3.28Å |
| 161 | Q | 95.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -29 | -179.9 | -67.3 | 170.4 | -32.6 | 0 | 0 | 112.7 | L157 T158 D164 W165 | L157-Q161 HydrophobicContact CB-CB 4.2Å; L157-Q161 HydrophobicContact CD2-CB 3.96Å; T158-Q161 PolarHBondContact O-N 3.38Å; T158-Q161 VanDerWaalsContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.44Å; T158-Q161 PolarHBondContact OG1-N 3.17Å; Q161-D164 WeakPolarHBondContact CA-OD2 3.42Å; Q161-W165 VanDerWaalsContact O-CB 3.29Å; Q161-W165 WeakPolarHBondContact O-CB 3.09Å; Q161-W165 PolarHBondContact O-N 2.67Å |
| 162 | I | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 171.6 | -64.6 | 168.4 | 0 | 0 | 0 | 110.7 | I145 L157 T158 L159 S160 W165 M166 I189 L193 W213 | I145-I162 HydrophobicContact CG1-CG2 4.24Å; I145-I162 HydrophobicContact CG2-CD1 4.48Å; L157-I162 HydrophobicContact CB-CD1 4.37Å; L157-I162 HydrophobicContact CB-CG1 3.83Å; L157-I162 HydrophobicContact CD1-CG1 4.05Å; T158-I162 WeakPolarHBondContact O-CG1 3.24Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.08Å; L159-I162 PolarHBondContact O-N 2.97Å; S160-I162 PolarHBondContact O-N 3.42Å; I162-W165 PolarHBondContact O-N 2.84Å; I162-M166 HydrophobicContact CG2-CE 4Å; I162-M166 WeakPolarHBondContact O-CG 3.49Å; I162-M166 PolarHBondContact O-N 2.97Å; I162-I189 HydrophobicContact CG2-CG2 3.81Å; I162-L193 HydrophobicContact CD1-CD1 4.14Å; I162-L193 HydrophobicContact CD1-CD2 4.15Å; I162-W213 HydrophobicContact CD1-CB 4.04Å; I162-W213 HydrophobicContact CD1-CG 4.39Å |
| 163 | Y | 95 | Very high | 93.6 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 172.1 | -53.9 | -37.4 | 0 | 0 | 0 | 111.2 | L159 S160 W165 M166 V167 W185 K186 I189 R190 | L159-Y163 HydrophobicContact CD1-CE1 3.85Å; L159-Y163 HydrophobicContact CD1-CE2 4.49Å; L159-Y163 HydrophobicContact CG-CE1 4.27Å; L159-Y163 HydrophobicContact CG-CE2 4.01Å; L159-Y163 PolarHBondContact O-N 3.12Å; S160-Y163 WeakPolarHBondContact O-CA 3.49Å; S160-Y163 WeakPolarHBondContact O-CB 3.37Å; S160-Y163 PolarHBondContact O-N 3.03Å; Y163-W165 VanDerWaalsContact C-N 3.28Å; Y163-W165 PolarHBondContact O-N 3.42Å; Y163-M166 PolarHBondContact O-N 2.97Å; Y163-M166 VanDerWaalsContact O-N 3.13Å; Y163-V167 WeakPolarHBondContact O-CG2 3.37Å; Y163-V167 PolarHBondContact O-N 3.43Å; Y163-V167 VanDerWaalsContact O-N 3.11Å; Y163-W185 HydrophobicContact CD1-CH2 4.42Å; Y163-W185 HydrophobicContact CD1-CZ3 4.07Å; Y163-K186 HydrophobicContact CD1-CB 4.15Å; Y163-K186 HydrophobicContact CD1-CD 4.4Å; Y163-K186 HydrophobicContact CD1-CG 3.8Å; Y163-K186 HydrophobicContact CD2-CD 4.26Å; Y163-K186 HydrophobicContact CE1-CB 3.67Å; Y163-K186 HydrophobicContact CE1-CG 3.86Å; Y163-K186 HydrophobicContact CE2-CD 4.41Å; Y163-K186 HydrophobicContact CG-CD 4.26Å; Y163-K186 HydrophobicContact CG-CG 4.14Å; Y163-I189 HydrophobicContact CD1-CG2 4.36Å; Y163-I189 HydrophobicContact CE1-CB 4.24Å; Y163-I189 HydrophobicContact CE1-CG2 4.1Å; Y163-R190 PolarHBondContact OH-NH1 3.26Å; Y163-R190 VanDerWaalsContact OH-NH1 3.07Å |
| 164 | D | 94.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 60.9 Ų | 60.9 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | -179.3 | -53.3 | -33.8 | 0 | 0 | 0 | 111.6 | S160 Q161 R168 | S160-D164 PolarHBondContact O-N 3.28Å; Q161-D164 WeakPolarHBondContact CA-OD2 3.42Å; D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 PolarHBondContact O-N 3.14Å |
| 165 | W | 95.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 62 Ų | 62 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 174.8 | -173.4 | 97.5 | 0 | 0 | 0 | 112.2 | L144 K147 A148 S151 Q161 I162 Y163 V167 R168 S169 I170 | L144-W165 HydrophobicContact CB-CZ3 4.37Å; L144-W165 WeakPolarHBondContact O-CZ3 3.49Å; K147-W165 HydrophobicContact CB-CH2 3.7Å; K147-W165 HydrophobicContact CB-CZ2 3.92Å; A148-W165 HydrophobicContact CB-CB 4.15Å; A148-W165 HydrophobicContact CB-CD2 3.47Å; A148-W165 VanDerWaalsContact CB-CD2 3.47Å; A148-W165 HydrophobicContact CB-CE3 3.6Å; A148-W165 HydrophobicContact CB-CG 3.7Å; A148-W165 HydrophobicContact CB-CZ3 4.19Å; S151-W165 PolarHBondContact OG-NE1 3.18Å; Q161-W165 VanDerWaalsContact O-CB 3.29Å; Q161-W165 WeakPolarHBondContact O-CB 3.09Å; Q161-W165 PolarHBondContact O-N 2.67Å; I162-W165 PolarHBondContact O-N 2.84Å; Y163-W165 VanDerWaalsContact C-N 3.28Å; Y163-W165 PolarHBondContact O-N 3.42Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 3.02Å; W165-R168 PolarHBondContact O-N 3.45Å; W165-S169 WeakPolarHBondContact O-CB 3.38Å; W165-S169 PolarHBondContact O-N 3.17Å; W165-I170 HydrophobicContact CZ3-CD1 4.14Å; W165-I170 HydrophobicContact CZ3-CG1 4.36Å |
| 166 | M | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 178.6 | -64.2 | -82.9 | 163.1 | 0 | 0 | 110.7 | L144 I145 I162 Y163 I170 F173 W185 I189 | L144-M166 HydrophobicContact CB-CE 3.57Å; L144-M166 HydrophobicContact CB-SD 3.79Å; L144-M166 HydrophobicContact CD1-SD 4.1Å; I145-M166 HydrophobicContact CB-CE 4.48Å; I145-M166 HydrophobicContact CG1-CE 3.78Å; I162-M166 HydrophobicContact CG2-CE 4Å; I162-M166 WeakPolarHBondContact O-CG 3.49Å; I162-M166 PolarHBondContact O-N 2.97Å; Y163-M166 PolarHBondContact O-N 2.97Å; Y163-M166 VanDerWaalsContact O-N 3.13Å; M166-I170 HydrophobicContact CB-CD1 4.33Å; M166-I170 VanDerWaalsContact O-CB 3.24Å; M166-I170 WeakPolarHBondContact O-CB 3.4Å; M166-I170 PolarHBondContact O-N 3.3Å; M166-I170 VanDerWaalsContact O-N 3.15Å; M166-I170 HydrophobicContact SD-CD1 3.59Å; M166-I170 VanDerWaalsContact SD-CD1 3.59Å; M166-F173 HydrophobicContact CB-CD2 4.28Å; M166-W185 HydrophobicContact CB-CH2 4.05Å; M166-W185 HydrophobicContact CB-CZ3 3.8Å; M166-W185 HydrophobicContact CG-CZ3 4.12Å; M166-I189 HydrophobicContact CE-CD1 3.64Å; M166-I189 HydrophobicContact CG-CD1 4.34Å; M166-I189 HydrophobicContact SD-CD1 3.97Å |
| 167 | V | 94.1 | Very high | 91.3 | Very high | 36 Ų | 36 | 58 Ų | 58 | 22% | 0.218 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | Y163 W165 F173 K174 G177 W185 | Y163-V167 WeakPolarHBondContact O-CG2 3.37Å; Y163-V167 PolarHBondContact O-N 3.43Å; Y163-V167 VanDerWaalsContact O-N 3.11Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 3.02Å; V167-F173 HydrophobicContact CG2-CB 4.48Å; V167-K174 WeakPolarHBondContact O-CG 3.38Å; V167-G177 VanDerWaalsContact CG2-CA 3.46Å; V167-W185 HydrophobicContact CG2-CH2 3.96Å; V167-W185 HydrophobicContact CG2-CZ2 3.89Å |
| 168 | R | 93.3 | Very high | 90.1 | Very high | 193 Ų | 193 | 63.9 Ų | 63.9 | 73% | 0.728 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -77.2 | -35.4 | -174.4 | -165.5 | -179.5 | -55.9 | 143.3 | 9.1 | 114.2 | D164 W165 | D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 PolarHBondContact O-N 3.14Å; W165-R168 PolarHBondContact O-N 3.45Å |
| 169 | S | 91.5 | Very high | 89 | Confident | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -101.6 | -11.7 | -172.4 | -64.9 | 0 | 0 | 0 | 0 | 114.6 | W165 | W165-S169 WeakPolarHBondContact O-CB 3.38Å; W165-S169 PolarHBondContact O-N 3.17Å |
| 170 | I | 91.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | | | trans | -124.9 | 111.4 | -176 | -51.2 | 170.6 | 0 | 0 | 0 | 109.2 | W136 L144 W165 M166 Y172 F173 | W136-I170 HydrophobicContact CB-CG2 3.38Å; W136-I170 HydrophobicContact CG-CG2 4.34Å; L144-I170 HydrophobicContact CB-CD1 4.47Å; L144-I170 HydrophobicContact CD1-CD1 3.61Å; L144-I170 HydrophobicContact CD2-CD1 3.74Å; L144-I170 HydrophobicContact CD2-CG1 4.41Å; L144-I170 HydrophobicContact CG-CD1 4.14Å; W165-I170 HydrophobicContact CZ3-CD1 4.14Å; W165-I170 HydrophobicContact CZ3-CG1 4.36Å; M166-I170 HydrophobicContact CB-CD1 4.33Å; M166-I170 VanDerWaalsContact O-CB 3.24Å; M166-I170 WeakPolarHBondContact O-CB 3.4Å; M166-I170 PolarHBondContact O-N 3.3Å; M166-I170 VanDerWaalsContact O-N 3.15Å; M166-I170 HydrophobicContact SD-CD1 3.59Å; M166-I170 VanDerWaalsContact SD-CD1 3.59Å; I170-Y172 PolarHBondContact O-N 2.96Å; I170-F173 HydrophobicContact CB-CD2 3.93Å; I170-F173 HydrophobicContact CD1-CD2 3.86Å; I170-F173 HydrophobicContact CD1-CE2 4.06Å; I170-F173 HydrophobicContact CG2-CD2 3.84Å; I170-F173 HydrophobicContact CG2-CE2 4.31Å; I170-F173 PolarHBondContact O-N 3.11Å |
| 171 | P | 89.8 | Confident | 86.2 | Confident | 101 Ų | 101 | 73 Ų | 73 | 66% | 0.656 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -51.1 | -37.7 | -176.1 | -31.4 | 36.5 | 0 | 0 | 0 | 114.8 | F173 K174 | P171-F173 VanDerWaalsContact C-N 3.26Å; P171-F173 PolarHBondContact O-N 3.34Å; P171-K174 WeakPolarHBondContact O-CB 3.42Å; P171-K174 PolarHBondContact O-N 3.33Å |
| 172 | Y | 87.9 | Confident | 84.9 | Confident | 97 Ų | 97 | 69.7 Ų | 69.7 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -27.4 | 179.5 | 179.9 | -97 | 0 | 0 | 0 | 115.1 | A135 W136 I170 K176 | A135-Y172 HydrophobicContact CB-CD1 4.34Å; A135-Y172 HydrophobicContact CB-CD2 3.29Å; A135-Y172 HydrophobicContact CB-CE1 4.38Å; A135-Y172 HydrophobicContact CB-CE2 3.34Å; A135-Y172 HydrophobicContact CB-CG 3.82Å; W136-Y172 AromaticContact CE3-CD1 3.52Å; W136-Y172 HydrophobicContact CE3-CD1 3.52Å; W136-Y172 AromaticContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CG 4.19Å; W136-Y172 AromaticContact CZ3-CD1 3.82Å; W136-Y172 HydrophobicContact CZ3-CD1 3.82Å; W136-Y172 AromaticContact CZ3-CE1 3.68Å; W136-Y172 HydrophobicContact CZ3-CE1 3.68Å; I170-Y172 PolarHBondContact O-N 2.96Å; Y172-K176 HydrophobicContact CE1-CD 4.01Å; Y172-K176 WeakPolarHBondContact O-CD 3.37Å |
| 173 | F | 87.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.009 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -96.8 | -7.9 | -178.6 | -68.1 | -62.8 | 0 | 0 | 0 | 113.7 | W136 Y141 M166 V167 I170 P171 D175 K176 G177 W185 | W136-F173 AromaticContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CZ 4.13Å; W136-F173 HydrophobicContact CE3-CE1 4.42Å; W136-F173 AromaticContact CE3-CE2 3.69Å; W136-F173 HydrophobicContact CE3-CE2 3.69Å; W136-F173 AromaticContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CG-CE2 4.49Å; W136-F173 AromaticContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CZ2-CZ 4.47Å; W136-F173 HydrophobicContact CZ3-CE1 4.15Å; W136-F173 HydrophobicContact CZ3-CE2 4.08Å; W136-F173 AromaticContact CZ3-CZ 3.42Å; W136-F173 HydrophobicContact CZ3-CZ 3.42Å; W136-F173 VanDerWaalsContact CZ3-CZ 3.42Å; Y141-F173 AromaticContact CE1-CZ 3.96Å; Y141-F173 HydrophobicContact CE1-CZ 3.96Å; M166-F173 HydrophobicContact CB-CD2 4.28Å; V167-F173 HydrophobicContact CG2-CB 4.48Å; I170-F173 HydrophobicContact CB-CD2 3.93Å; I170-F173 HydrophobicContact CD1-CD2 3.86Å; I170-F173 HydrophobicContact CD1-CE2 4.06Å; I170-F173 HydrophobicContact CG2-CD2 3.84Å; I170-F173 HydrophobicContact CG2-CE2 4.31Å; I170-F173 PolarHBondContact O-N 3.11Å; P171-F173 VanDerWaalsContact C-N 3.26Å; P171-F173 PolarHBondContact O-N 3.34Å; F173-D175 PolarHBondContact O-N 2.78Å; F173-K176 CarbonylContact O-C 3.6Å; F173-K176 PolarHBondContact O-N 3.02Å; F173-K176 VanDerWaalsContact O-N 3.13Å; F173-G177 PolarHBondContact O-N 3.46Å; F173-W185 HydrophobicContact CD1-CB 4.48Å; F173-W185 AromaticContact CD1-CD1 3.95Å; F173-W185 AromaticContact CD1-CD2 3.77Å; F173-W185 HydrophobicContact CD1-CD2 3.77Å; F173-W185 AromaticContact CD1-CE2 3.82Å; F173-W185 HydrophobicContact CD1-CE3 4.3Å; F173-W185 AromaticContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CZ2 4.39Å; F173-W185 AromaticContact CD1-NE1 3.92Å; F173-W185 HydrophobicContact CE1-CB 3.65Å; F173-W185 AromaticContact CE1-CD1 3.9Å; F173-W185 AromaticContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CE3 4.2Å; F173-W185 AromaticContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CZ-CB 4.3Å; F173-W185 HydrophobicContact CZ-CG 4.46Å |
| 174 | K | 86.4 | Confident | 83.6 | Confident | 128 Ų | 128 | 73.4 Ų | 73.4 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -53.9 | -54.1 | 177.4 | -70.9 | -179.2 | 68.2 | -169.9 | 0 | 111.3 | V167 P171 K176 | V167-K174 WeakPolarHBondContact O-CG 3.38Å; P171-K174 WeakPolarHBondContact O-CB 3.42Å; P171-K174 PolarHBondContact O-N 3.33Å; K174-K176 PolarHBondContact O-N 2.95Å; K174-K176 VanDerWaalsContact O-N 3.1Å |
| 175 | D | 83.6 | Confident | 83.5 | Confident | 131 Ų | 131 | 71 Ų | 71 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 21.6 | -176.4 | -31 | -45.6 | 0 | 0 | 0 | 111.7 | F173 | F173-D175 PolarHBondContact O-N 2.78Š|
| 176 | K | 81 | Confident | 83.4 | Confident | 81 Ų | 81 | 71.2 Ų | 71.2 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.5 | 23 | -174.9 | -52.7 | -172 | -171.3 | -52 | 0 | 112.2 | Y172 F173 K174 S182 W185 | Y172-K176 HydrophobicContact CE1-CD 4.01Å; Y172-K176 WeakPolarHBondContact O-CD 3.37Å; F173-K176 CarbonylContact O-C 3.6Å; F173-K176 PolarHBondContact O-N 3.02Å; F173-K176 VanDerWaalsContact O-N 3.13Å; K174-K176 PolarHBondContact O-N 2.95Å; K174-K176 VanDerWaalsContact O-N 3.1Å; K176-S182 PolarHBondContact O-OG 3.27Å; K176-W185 PolarHBondContact O-NE1 3.35Å |
| 177 | G | 75.4 | Confident | 83.4 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -90.3 | -34.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V167 F173 K186 | V167-G177 VanDerWaalsContact CG2-CA 3.46Å; F173-G177 PolarHBondContact O-N 3.46Å; G177-K186 PolarHBondContact O-NZ 3.2Å |
| 178 | D | 71.6 | Confident | 83.4 | Confident | 142 Ų | 142 | 75 Ų | 75 | 76% | 0.759 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -99.4 | -46.5 | -170.4 | 55.8 | -15.4 | 0 | 0 | 0 | 113 | | |
| 179 | S | 74.5 | Confident | 83.6 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -54.4 | 138.5 | -177.7 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | S181 S182 | S179-S181 PolarHBondContact O-N 2.89Å; S179-S181 VanDerWaalsContact O-N 3.09Å; S179-S181 PolarHBondContact OG-N 2.73Å; S179-S181 PolarHBondContact OG-OG 2.94Å; S179-S182 WeakPolarHBondContact O-CB 3.21Å; S179-S182 PolarHBondContact O-N 3.39Å; S179-S182 PolarHBondContact O-OG 3.26Å |
| 180 | N | 68.4 | Low | 83.8 | Confident | 151 Ų | 151 | 67.5 Ų | 67.5 | 81% | 0.807 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -54.4 | -30.6 | 175.8 | -165.8 | 13.3 | 0 | 0 | 0 | 112.3 | S182 A183 | N180-S182 PolarHBondContact O-N 2.91Å; N180-A183 PolarHBondContact O-N 3.36Å |
| 181 | S | 62.6 | Low | 84.1 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 73% | 0.734 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -54.8 | -11.8 | 170.7 | -54.4 | 0 | 0 | 0 | 0 | 114.8 | S179 A183 | S179-S181 PolarHBondContact O-N 2.89Å; S179-S181 VanDerWaalsContact O-N 3.09Å; S179-S181 PolarHBondContact OG-N 2.73Å; S179-S181 PolarHBondContact OG-OG 2.94Å; S181-A183 PolarHBondContact O-N 3.39Å; S181-A183 VanDerWaalsContact O-N 3.17Å |
| 182 | S | 68.7 | Low | 84.4 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -55.2 | -23 | 168 | -61.3 | 0 | 0 | 0 | 0 | 114.3 | K176 S179 N180 G184 W185 K186 | K176-S182 PolarHBondContact O-OG 3.27Å; S179-S182 WeakPolarHBondContact O-CB 3.21Å; S179-S182 PolarHBondContact O-N 3.39Å; S179-S182 PolarHBondContact O-OG 3.26Å; N180-S182 PolarHBondContact O-N 2.91Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.28Å; S182-G184 VanDerWaalsContact O-N 3.12Å; S182-W185 VanDerWaalsContact O-CD1 3.31Å; S182-W185 PolarHBondContact O-N 2.84Å; S182-K186 VanDerWaalsContact CB-CE 3.47Å; S182-K186 VanDerWaalsContact CB-NZ 3.31Å; S182-K186 PolarHBondContact O-N 3.05Å; S182-K186 PolarHBondContact OG-NZ 2.87Å; S182-K186 VanDerWaalsContact OG-NZ 3.11Å |
| 183 | A | 75.4 | Confident | 84.8 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -48.8 | -43.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N180 S181 N187 | N180-A183 PolarHBondContact O-N 3.36Å; S181-A183 PolarHBondContact O-N 3.39Å; S181-A183 VanDerWaalsContact O-N 3.17Å; A183-N187 VanDerWaalsContact O-CB 3.24Å; A183-N187 WeakPolarHBondContact O-CB 3.37Å; A183-N187 PolarHBondContact O-N 2.66Å |
| 184 | G | 88.8 | Confident | 85.2 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.3 | -49.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S182 N187 S188 | S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.28Å; S182-G184 VanDerWaalsContact O-N 3.12Å; G184-N187 PolarHBondContact O-N 3.02Å; G184-S188 PolarHBondContact O-N 3.28Å; G184-S188 VanDerWaalsContact O-N 3.13Å |
| 185 | W | 91.8 | Very high | 85.6 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 8% | 0.076 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.4 | -41.3 | -179.7 | 75.9 | -103.7 | 0 | 0 | 0 | 111.4 | Y163 M166 V167 F173 K176 S182 N187 S188 I189 | Y163-W185 HydrophobicContact CD1-CH2 4.42Å; Y163-W185 HydrophobicContact CD1-CZ3 4.07Å; M166-W185 HydrophobicContact CB-CH2 4.05Å; M166-W185 HydrophobicContact CB-CZ3 3.8Å; M166-W185 HydrophobicContact CG-CZ3 4.12Å; V167-W185 HydrophobicContact CG2-CH2 3.96Å; V167-W185 HydrophobicContact CG2-CZ2 3.89Å; F173-W185 HydrophobicContact CD1-CB 4.48Å; F173-W185 AromaticContact CD1-CD1 3.95Å; F173-W185 AromaticContact CD1-CD2 3.77Å; F173-W185 HydrophobicContact CD1-CD2 3.77Å; F173-W185 AromaticContact CD1-CE2 3.82Å; F173-W185 HydrophobicContact CD1-CE3 4.3Å; F173-W185 AromaticContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CZ2 4.39Å; F173-W185 AromaticContact CD1-NE1 3.92Å; F173-W185 HydrophobicContact CE1-CB 3.65Å; F173-W185 AromaticContact CE1-CD1 3.9Å; F173-W185 AromaticContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CE3 4.2Å; F173-W185 AromaticContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CZ-CB 4.3Å; F173-W185 HydrophobicContact CZ-CG 4.46Å; K176-W185 PolarHBondContact O-NE1 3.35Å; S182-W185 VanDerWaalsContact O-CD1 3.31Å; S182-W185 PolarHBondContact O-N 2.84Å; W185-N187 PolarHBondContact O-N 3.3Å; W185-S188 PolarHBondContact O-N 3.24Å; W185-S188 VanDerWaalsContact O-N 3.1Å; W185-S188 PolarHBondContact O-OG 3.27Å; W185-I189 HydrophobicContact CE3-CG1 4.13Å; W185-I189 HydrophobicContact CZ3-CG1 4.31Å; W185-I189 PolarHBondContact O-N 2.97Å; W185-I189 VanDerWaalsContact O-N 3.12Å |
| 186 | K | 93.6 | Very high | 86.1 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.1 | -31.7 | 174 | -68.1 | 179.8 | -179.7 | 157.9 | 0 | 111.7 | Y163 G177 S182 R190 | Y163-K186 HydrophobicContact CD1-CB 4.15Å; Y163-K186 HydrophobicContact CD1-CD 4.4Å; Y163-K186 HydrophobicContact CD1-CG 3.8Å; Y163-K186 HydrophobicContact CD2-CD 4.26Å; Y163-K186 HydrophobicContact CE1-CB 3.67Å; Y163-K186 HydrophobicContact CE1-CG 3.86Å; Y163-K186 HydrophobicContact CE2-CD 4.41Å; Y163-K186 HydrophobicContact CG-CD 4.26Å; Y163-K186 HydrophobicContact CG-CG 4.14Å; G177-K186 PolarHBondContact O-NZ 3.2Å; S182-K186 VanDerWaalsContact CB-CE 3.47Å; S182-K186 VanDerWaalsContact CB-NZ 3.31Å; S182-K186 PolarHBondContact O-N 3.05Å; S182-K186 PolarHBondContact OG-NZ 2.87Å; S182-K186 VanDerWaalsContact OG-NZ 3.11Å; K186-R190 PolarHBondContact O-N 3.43Å; K186-R190 PolarHBondContact O-NH1 2.93Å |
| 187 | N | 94.5 | Very high | 86.6 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70 | -43.4 | 172.9 | -161.1 | 36.4 | 0 | 0 | 0 | 112.9 | A183 G184 W185 I189 R190 H191 | A183-N187 VanDerWaalsContact O-CB 3.24Å; A183-N187 WeakPolarHBondContact O-CB 3.37Å; A183-N187 PolarHBondContact O-N 2.66Å; G184-N187 PolarHBondContact O-N 3.02Å; W185-N187 PolarHBondContact O-N 3.3Å; N187-I189 PolarHBondContact O-N 3.28Å; N187-R190 WeakPolarHBondContact O-CB 3.44Å; N187-R190 PolarHBondContact O-N 2.99Å; N187-R190 VanDerWaalsContact O-N 3.11Å; N187-R190 PolarHBondContact OD1-NE 2.93Å; N187-R190 PolarHBondContact OD1-NH2 3.49Å; N187-H191 PolarHBondContact O-N 3.39Å |
| 188 | S | 95.3 | Very high | 87.5 | Confident | 26 Ų | 26 | 68 Ų | 68 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.1 | -31.7 | 177.5 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | Y141 G184 W185 N192 | Y141-S188 WeakPolarHBondContact CE2-OG 3.18Å; Y141-S188 PolarHBondContact OH-OG 2.85Å; G184-S188 PolarHBondContact O-N 3.28Å; G184-S188 VanDerWaalsContact O-N 3.13Å; W185-S188 PolarHBondContact O-N 3.24Å; W185-S188 VanDerWaalsContact O-N 3.1Å; W185-S188 PolarHBondContact O-OG 3.27Å; S188-N192 WeakPolarHBondContact O-CB 3.41Å; S188-N192 PolarHBondContact O-N 3.48Å; S188-N192 PolarHBondContact O-ND2 3.23Å |
| 189 | I | 96 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.2 | -51.4 | 169.6 | -65.5 | -62.7 | 0 | 0 | 0 | 111.2 | Y141 I145 L159 I162 Y163 M166 W185 N187 H191 N192 L193 | Y141-I189 HydrophobicContact CD1-CD1 3.56Å; Y141-I189 HydrophobicContact CD1-CG1 4.41Å; Y141-I189 HydrophobicContact CE1-CD1 4.15Å; Y141-I189 HydrophobicContact CG-CD1 4.32Å; I145-I189 HydrophobicContact CD1-CD1 3.94Å; I145-I189 HydrophobicContact CD1-CG2 4.24Å; I145-I189 HydrophobicContact CG1-CD1 3.87Å; I145-I189 HydrophobicContact CG1-CG2 4.42Å; L159-I189 HydrophobicContact CD1-CG2 4.27Å; I162-I189 HydrophobicContact CG2-CG2 3.81Å; Y163-I189 HydrophobicContact CD1-CG2 4.36Å; Y163-I189 HydrophobicContact CE1-CB 4.24Å; Y163-I189 HydrophobicContact CE1-CG2 4.1Å; M166-I189 HydrophobicContact CE-CD1 3.64Å; M166-I189 HydrophobicContact CG-CD1 4.34Å; M166-I189 HydrophobicContact SD-CD1 3.97Å; W185-I189 HydrophobicContact CE3-CG1 4.13Å; W185-I189 HydrophobicContact CZ3-CG1 4.31Å; W185-I189 PolarHBondContact O-N 2.97Å; W185-I189 VanDerWaalsContact O-N 3.12Å; N187-I189 PolarHBondContact O-N 3.28Å; I189-H191 VanDerWaalsContact C-N 3.29Å; I189-H191 PolarHBondContact O-N 3.5Å; I189-N192 PolarHBondContact O-N 3.36Å; I189-L193 HydrophobicContact CG2-CD1 3.95Å; I189-L193 WeakPolarHBondContact O-CG 3.39Å; I189-L193 PolarHBondContact O-N 2.68Å |
| 190 | R | 96.6 | Very high | 89.6 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.9 | -42.4 | 177.5 | -68 | -175 | -61.2 | -100 | 14.2 | 112.2 | L159 Y163 K186 N187 L193 S194 | L159-R190 HydrophobicContact CD1-CG 3.99Å; L159-R190 HydrophobicContact CD2-CG 3.98Å; Y163-R190 PolarHBondContact OH-NH1 3.26Å; Y163-R190 VanDerWaalsContact OH-NH1 3.07Å; K186-R190 PolarHBondContact O-N 3.43Å; K186-R190 PolarHBondContact O-NH1 2.93Å; N187-R190 WeakPolarHBondContact O-CB 3.44Å; N187-R190 PolarHBondContact O-N 2.99Å; N187-R190 VanDerWaalsContact O-N 3.11Å; N187-R190 PolarHBondContact OD1-NE 2.93Å; N187-R190 PolarHBondContact OD1-NH2 3.49Å; R190-L193 PolarHBondContact O-N 3.36Å; R190-S194 PolarHBondContact O-N 2.71Å; R190-S194 PolarHBondContact O-OG 3.4Å |
| 191 | H | 96.4 | Very high | 90.9 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.5 | 174 | 66.3 | 0 | 0 | 0 | 112.7 | N187 I189 L193 S194 L195 | N187-H191 PolarHBondContact O-N 3.39Å; I189-H191 VanDerWaalsContact C-N 3.29Å; I189-H191 PolarHBondContact O-N 3.5Å; H191-L193 VanDerWaalsContact C-N 3.32Å; H191-L193 PolarHBondContact O-N 2.9Å; H191-S194 PolarHBondContact O-N 3.43Å; H191-S194 PolarHBondContact O-OG 2.85Å; H191-L195 VanDerWaalsContact CE1-CD1 3.48Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.11Å; H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 PolarHBondContact O-N 2.85Å |
| 192 | N | 97.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 177 | -86.7 | -109.1 | 0 | 0 | 0 | 112.3 | A142 I145 S188 I189 H196 F199 | A142-N192 PolarHBondContact N-OD1 2.92Å; I145-N192 HydrophobicContact CD1-CB 3.59Å; S188-N192 WeakPolarHBondContact O-CB 3.41Å; S188-N192 PolarHBondContact O-N 3.48Å; S188-N192 PolarHBondContact O-ND2 3.23Å; I189-N192 PolarHBondContact O-N 3.36Å; N192-H196 PolarHBondContact O-N 3.02Å; N192-F199 WeakPolarHBondContact O-CD2 3.41Å |
| 193 | L | 96.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | 177 | -74.3 | 167.9 | 0 | 0 | 0 | 113.1 | I145 L159 I162 I189 R190 H191 F199 W213 | I145-L193 HydrophobicContact CD1-CD2 4.44Å; I145-L193 HydrophobicContact CD1-CG 4.21Å; I145-L193 HydrophobicContact CG2-CD2 3.58Å; I145-L193 HydrophobicContact CG2-CG 4.45Å; L159-L193 HydrophobicContact CD1-CD1 3.63Å; I162-L193 HydrophobicContact CD1-CD1 4.14Å; I162-L193 HydrophobicContact CD1-CD2 4.15Å; I189-L193 HydrophobicContact CG2-CD1 3.95Å; I189-L193 WeakPolarHBondContact O-CG 3.39Å; I189-L193 PolarHBondContact O-N 2.68Å; R190-L193 PolarHBondContact O-N 3.36Å; H191-L193 VanDerWaalsContact C-N 3.32Å; H191-L193 PolarHBondContact O-N 2.9Å; L193-F199 HydrophobicContact CD2-CB 4.16Å; L193-F199 HydrophobicContact CD2-CD1 4.42Å; L193-F199 HydrophobicContact CD2-CD2 4.24Å; L193-F199 HydrophobicContact CD2-CG 3.99Å; L193-W213 HydrophobicContact CB-CD2 4.19Å; L193-W213 HydrophobicContact CB-CE3 4.04Å; L193-W213 HydrophobicContact CB-CH2 3.84Å; L193-W213 HydrophobicContact CB-CZ2 4.01Å; L193-W213 HydrophobicContact CB-CZ3 3.86Å; L193-W213 HydrophobicContact CD1-CD2 4.14Å; L193-W213 HydrophobicContact CD1-CG 4.23Å; L193-W213 HydrophobicContact CD1-CZ2 4.47Å; L193-W213 HydrophobicContact CD2-CB 4.12Å; L193-W213 HydrophobicContact CD2-CD2 3.8Å; L193-W213 HydrophobicContact CD2-CE3 3.85Å; L193-W213 HydrophobicContact CD2-CG 3.93Å; L193-W213 HydrophobicContact CD2-CZ3 4.49Å; L193-W213 HydrophobicContact CG-CD2 4.27Å; L193-W213 HydrophobicContact CG-CE3 4.43Å; L193-W213 VanDerWaalsContact O-CZ3 3.22Å; L193-W213 WeakPolarHBondContact O-CZ3 3.41Å |
| 194 | S | 94.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 62 Ų | 62 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -89.8 | -29.3 | 176.2 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | R190 H191 | R190-S194 PolarHBondContact O-N 2.71Å; R190-S194 PolarHBondContact O-OG 3.4Å; H191-S194 PolarHBondContact O-N 3.43Å; H191-S194 PolarHBondContact O-OG 2.85Å |
| 195 | L | 95 | Very high | 94 | Very high | 99 Ų | 99 | 67.2 Ų | 67.2 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -77.1 | -32.9 | -177.6 | -177.9 | 144.7 | 0 | 0 | 0 | 113.4 | H191 | H191-L195 VanDerWaalsContact CE1-CD1 3.48Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.11Å; H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 PolarHBondContact O-N 2.85Å |
| 196 | H | 93.8 | Very high | 93.4 | Very high | 70 Ų | 70 | 67.8 Ų | 67.8 | 32% | 0.324 | 35% | 0.346 | S | S | . | . | | | trans | -101.4 | 114.3 | -176.8 | -69.3 | -61.9 | 0 | 0 | 0 | 112.6 | N192 R198 F199 | N192-H196 PolarHBondContact O-N 3.02Å; H196-R198 PolarHBondContact O-N 3.35Å; H196-F199 HydrophobicContact CB-CD2 3.87Å; H196-F199 HydrophobicContact CB-CE2 3.92Å; H196-F199 PolarHBondContact O-N 3.05Å |
| 197 | S | 92.3 | Very high | 92 | Very high | 105 Ų | 105 | 73 Ų | 73 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 0.1 | 174.2 | 57.7 | 0 | 0 | 0 | 0 | 115.8 | F199 N216 | S197-F199 VanDerWaalsContact C-N 3.26Å; S197-N216 PolarHBondContact O-ND2 2.72Å; S197-N216 VanDerWaalsContact O-ND2 3.16Å |
| 198 | R | 93.8 | Very high | 91 | Very high | 93 Ų | 93 | 72.7 Ų | 72.7 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.6 | 162.4 | 180 | 178.6 | -70.4 | 158.7 | 1.6 | 111.5 | H196 I215 N216 G219 | H196-R198 PolarHBondContact O-N 3.35Å; R198-I215 HydrophobicContact CG-CG2 4.12Å; R198-I215 CarbonylContact O-C 3.58Å; R198-I215 WeakPolarHBondContact O-CA 3.18Å; R198-N216 VanDerWaalsContact O-CB 3.3Å; R198-N216 WeakPolarHBondContact O-CB 3.44Å; R198-N216 PolarHBondContact O-N 3.31Å; R198-G219 PolarHBondContact NE-O 3.45Å |
| 199 | F | 96.2 | Very high | 90.3 | Very high | 11 Ų | 11 | 77.9 Ų | 77.9 | 5% | 0.048 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.5 | 177.4 | -51.5 | -57.8 | 0 | 0 | 0 | 110.2 | A142 I145 I149 N192 L193 H196 S197 W213 M214 I215 | A142-F199 HydrophobicContact CB-CE2 4.32Å; A142-F199 HydrophobicContact CB-CZ 4.42Å; A142-F199 WeakPolarHBondContact O-CZ 3.42Å; I145-F199 HydrophobicContact CB-CE1 4.15Å; I145-F199 HydrophobicContact CB-CE2 4.44Å; I145-F199 HydrophobicContact CB-CZ 3.85Å; I145-F199 HydrophobicContact CG2-CD1 3.94Å; I145-F199 HydrophobicContact CG2-CE1 3.48Å; I145-F199 VanDerWaalsContact CG2-CE1 3.48Å; I145-F199 HydrophobicContact CG2-CE2 4.14Å; I145-F199 HydrophobicContact CG2-CG 4.46Å; I145-F199 HydrophobicContact CG2-CZ 3.6Å; I149-F199 HydrophobicContact CD1-CD1 4.02Å; I149-F199 HydrophobicContact CD1-CE1 4.31Å; N192-F199 WeakPolarHBondContact O-CD2 3.41Å; L193-F199 HydrophobicContact CD2-CB 4.16Å; L193-F199 HydrophobicContact CD2-CD1 4.42Å; L193-F199 HydrophobicContact CD2-CD2 4.24Å; L193-F199 HydrophobicContact CD2-CG 3.99Å; H196-F199 HydrophobicContact CB-CD2 3.87Å; H196-F199 HydrophobicContact CB-CE2 3.92Å; H196-F199 PolarHBondContact O-N 3.05Å; S197-F199 VanDerWaalsContact C-N 3.26Å; F199-W213 HydrophobicContact CB-CE3 4.18Å; F199-W213 HydrophobicContact CB-CZ3 4.45Å; F199-M214 WeakPolarHBondContact CA-O 3.47Å; F199-I215 HydrophobicContact CE1-CG1 4.49Å |
| 200 | I | 94.8 | Very high | 90.1 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 29% | 0.292 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.7 | 174.3 | 51.3 | 173.5 | 0 | 0 | 0 | 109.3 | V202 W213 M214 N216 | I200-V202 HydrophobicContact CD1-CG2 4.45Å; I200-W213 WeakPolarHBondContact O-CA 3.39Å; I200-M214 HydrophobicContact CD1-CB 4.38Å; I200-M214 HydrophobicContact CD1-CE 3.89Å; I200-M214 HydrophobicContact CG1-CB 3.99Å; I200-M214 WeakPolarHBondContact CG1-O 3.29Å; I200-M214 PolarHBondContact N-O 3.12Å; I200-M214 PolarHBondContact O-N 2.7Å; I200-N216 HydrophobicContact CG2-CB 4.12Å |
| 201 | R | 95.5 | Very high | 90 | Very high | 149 Ų | 149 | 76.9 Ų | 76.9 | 56% | 0.562 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 114.2 | 172.4 | -171.1 | -178.4 | 68.4 | 86.5 | 0.1 | 108.6 | S211 W212 W213 | R201-S211 PolarHBondContact NH1-OG 3.21Å; R201-W212 CarbonylContact C-O 3.59Å; R201-W212 WeakPolarHBondContact CA-O 3.3Å; R201-W213 HydrophobicContact CB-CD2 4.41Å; R201-W213 HydrophobicContact CB-CE3 4.02Å; R201-W213 HydrophobicContact CB-CH2 3.88Å; R201-W213 HydrophobicContact CB-CZ2 4.24Å; R201-W213 HydrophobicContact CB-CZ3 3.76Å; R201-W213 HydrophobicContact CG-CH2 4.32Å; R201-W213 HydrophobicContact CG-CZ2 4.18Å |
| 202 | V | 94 | Very high | 90 | Very high | 53 Ų | 53 | 73.4 Ų | 73.4 | 32% | 0.321 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.7 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | I200 S211 W212 M214 | I200-V202 HydrophobicContact CD1-CG2 4.45Å; V202-S211 CarbonylContact O-C 3.58Å; V202-S211 WeakPolarHBondContact O-CB 3.45Å; V202-W212 HydrophobicContact CB-CB 4.33Å; V202-W212 PolarHBondContact N-O 3.26Å; V202-W212 PolarHBondContact O-N 3.1Å; V202-M214 HydrophobicContact CB-SD 4.35Å; V202-M214 HydrophobicContact CG2-CE 3.74Å; V202-M214 HydrophobicContact CG2-CG 4.07Å; V202-M214 HydrophobicContact CG2-SD 3.92Å |
| 203 | Q | 92.8 | Very high | 89.9 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | | | trans | -65.5 | 148.5 | 178.4 | -174.5 | 44.7 | 40.5 | 0 | 0 | 110.2 | S211 | Q203-S211 PolarHBondContact OE1-OG 3.16Š|
| 204 | N | 88.4 | Confident | 89.9 | Confident | 17 Ų | 17 | 77 Ų | 77 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | | | trans | -88.5 | 143.5 | 175.7 | -152.8 | -26.6 | 0 | 0 | 0 | 109.4 | G206 K209 S210 W212 | N204-G206 PolarHBondContact O-N 3.13Å; N204-G206 VanDerWaalsContact O-N 3.15Å; N204-K209 HydrophobicContact CB-CB 4.36Å; N204-S210 WeakPolarHBondContact CB-O 3.42Å; N204-S210 PolarHBondContact ND2-O 3.47Å; N204-W212 PolarHBondContact ND2-NE1 3.37Å; N204-W212 PolarHBondContact OD1-NE1 2.88Å |
| 205 | E | 85.7 | Confident | 89.9 | Confident | 165 Ų | 165 | 74 Ų | 74 | 77% | 0.771 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -60.7 | -25.2 | -175.9 | -47.3 | -51.8 | 133.8 | 0 | 0 | 113 | | |
| 206 | G | 78.2 | Confident | 89.8 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -91.4 | 120.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N204 G208 K209 | N204-G206 PolarHBondContact O-N 3.13Å; N204-G206 VanDerWaalsContact O-N 3.15Å; G206-G208 PolarHBondContact O-N 3.12Å; G206-K209 WeakPolarHBondContact O-CB 3.44Å; G206-K209 PolarHBondContact O-N 3.26Å |
| 207 | T | 65.2 | Low | 89.4 | Confident | 151 Ų | 151 | 72 Ų | 72 | 93% | 0.926 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 132.7 | 168.9 | -50.5 | 0 | 0 | 0 | 0 | 110.7 | K209 | T207-K209 PolarHBondContact O-N 3.18Š|
| 208 | G | 72.4 | Confident | 88.4 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 87% | 0.866 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -14.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G206 | G206-G208 PolarHBondContact O-N 3.12Š|
| 209 | K | 82.2 | Confident | 86.9 | Confident | 135 Ų | 135 | 71 Ų | 71 | 59% | 0.587 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -81.4 | 141 | 178.2 | -158 | 168.9 | -172.9 | 171.2 | 0 | 111.2 | N204 G206 T207 S211 | N204-K209 HydrophobicContact CB-CB 4.36Å; G206-K209 WeakPolarHBondContact O-CB 3.44Å; G206-K209 PolarHBondContact O-N 3.26Å; T207-K209 PolarHBondContact O-N 3.18Å; K209-S211 PolarHBondContact O-N 3.08Å |
| 210 | S | 90.9 | Very high | 85.2 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 132.2 | -177.4 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | T158 N204 | T158-S210 WeakPolarHBondContact CB-OG 3.45Å; T158-S210 WeakPolarHBondContact CG2-OG 3.4Å; N204-S210 WeakPolarHBondContact CB-O 3.42Å; N204-S210 PolarHBondContact ND2-O 3.47Å |
| 211 | S | 94.8 | Very high | 83.5 | Confident | 21 Ų | 21 | 77.8 Ų | 77.8 | 15% | 0.147 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 149.7 | 175.6 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | R201 V202 Q203 K209 | R201-S211 PolarHBondContact NH1-OG 3.21Å; V202-S211 CarbonylContact O-C 3.58Å; V202-S211 WeakPolarHBondContact O-CB 3.45Å; Q203-S211 PolarHBondContact OE1-OG 3.16Å; K209-S211 PolarHBondContact O-N 3.08Å |
| 212 | W | 95.5 | Very high | 81.3 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 12% | 0.117 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 143.6 | 169.6 | -64.7 | 110.3 | 0 | 0 | 0 | 110.8 | R156 T158 R201 V202 N204 | R156-W212 HydrophobicContact CB-CB 4.38Å; R156-W212 HydrophobicContact CB-CD2 4.46Å; R156-W212 HydrophobicContact CB-CE3 4.1Å; R156-W212 HydrophobicContact CG-CD2 4.12Å; R156-W212 HydrophobicContact CG-CE3 3.78Å; R156-W212 HydrophobicContact CG-CZ3 4.17Å; T158-W212 HydrophobicContact CG2-CD2 4.37Å; T158-W212 HydrophobicContact CG2-CE3 3.8Å; T158-W212 HydrophobicContact CG2-CH2 4.13Å; T158-W212 HydrophobicContact CG2-CZ3 3.67Å; R201-W212 CarbonylContact C-O 3.59Å; R201-W212 WeakPolarHBondContact CA-O 3.3Å; V202-W212 HydrophobicContact CB-CB 4.33Å; V202-W212 PolarHBondContact N-O 3.26Å; V202-W212 PolarHBondContact O-N 3.1Å; N204-W212 PolarHBondContact ND2-NE1 3.37Å; N204-W212 PolarHBondContact OD1-NE1 2.88Å |
| 213 | W | 96.8 | Very high | 79.1 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 14% | 0.144 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.4 | 165.6 | -68.6 | 97.7 | 0 | 0 | 0 | 108.7 | I149 R156 L157 I162 L193 F199 I200 R201 | I149-W213 HydrophobicContact CD1-CB 4.33Å; R156-W213 WeakPolarHBondContact CA-O 3.2Å; L157-W213 PolarHBondContact N-O 3.2Å; L157-W213 PolarHBondContact O-N 3.02Å; I162-W213 HydrophobicContact CD1-CB 4.04Å; I162-W213 HydrophobicContact CD1-CG 4.39Å; L193-W213 HydrophobicContact CB-CD2 4.19Å; L193-W213 HydrophobicContact CB-CE3 4.04Å; L193-W213 HydrophobicContact CB-CH2 3.84Å; L193-W213 HydrophobicContact CB-CZ2 4.01Å; L193-W213 HydrophobicContact CB-CZ3 3.86Å; L193-W213 HydrophobicContact CD1-CD2 4.14Å; L193-W213 HydrophobicContact CD1-CG 4.23Å; L193-W213 HydrophobicContact CD1-CZ2 4.47Å; L193-W213 HydrophobicContact CD2-CB 4.12Å; L193-W213 HydrophobicContact CD2-CD2 3.8Å; L193-W213 HydrophobicContact CD2-CE3 3.85Å; L193-W213 HydrophobicContact CD2-CG 3.93Å; L193-W213 HydrophobicContact CD2-CZ3 4.49Å; L193-W213 HydrophobicContact CG-CD2 4.27Å; L193-W213 HydrophobicContact CG-CE3 4.43Å; L193-W213 VanDerWaalsContact O-CZ3 3.22Å; L193-W213 WeakPolarHBondContact O-CZ3 3.41Å; F199-W213 HydrophobicContact CB-CE3 4.18Å; F199-W213 HydrophobicContact CB-CZ3 4.45Å; I200-W213 WeakPolarHBondContact O-CA 3.39Å; R201-W213 HydrophobicContact CB-CD2 4.41Å; R201-W213 HydrophobicContact CB-CE3 4.02Å; R201-W213 HydrophobicContact CB-CH2 3.88Å; R201-W213 HydrophobicContact CB-CZ2 4.24Å; R201-W213 HydrophobicContact CB-CZ3 3.76Å; R201-W213 HydrophobicContact CG-CH2 4.32Å; R201-W213 HydrophobicContact CG-CZ2 4.18Å |
| 214 | M | 95.4 | Very high | 77.1 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 27% | 0.266 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.8 | -179.9 | -35 | -163.6 | -44.7 | 0 | 0 | 109.9 | R156 F199 I200 V202 | R156-M214 HydrophobicContact CB-CB 4.48Å; R156-M214 HydrophobicContact CB-CG 3.7Å; R156-M214 HydrophobicContact CB-SD 3.9Å; F199-M214 WeakPolarHBondContact CA-O 3.47Å; I200-M214 HydrophobicContact CD1-CB 4.38Å; I200-M214 HydrophobicContact CD1-CE 3.89Å; I200-M214 HydrophobicContact CG1-CB 3.99Å; I200-M214 WeakPolarHBondContact CG1-O 3.29Å; I200-M214 PolarHBondContact N-O 3.12Å; I200-M214 PolarHBondContact O-N 2.7Å; V202-M214 HydrophobicContact CB-SD 4.35Å; V202-M214 HydrophobicContact CG2-CE 3.74Å; V202-M214 HydrophobicContact CG2-CG 4.07Å; V202-M214 HydrophobicContact CG2-SD 3.92Å |
| 215 | I | 95.3 | Very high | 75.2 | Confident | 31 Ų | 31 | 82.1 Ų | 82.1 | 16% | 0.159 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 128 | 167.3 | -67.2 | 156.9 | 0 | 0 | 0 | 107.8 | T146 I149 E150 R198 F199 P217 | T146-I215 HydrophobicContact CG2-CD1 3.78Å; T146-I215 HydrophobicContact CG2-CG1 4.46Å; I149-I215 HydrophobicContact CB-CD1 3.88Å; I149-I215 HydrophobicContact CB-CG1 4.07Å; I149-I215 HydrophobicContact CD1-CG1 4.31Å; I149-I215 HydrophobicContact CG2-CD1 3.84Å; I149-I215 HydrophobicContact CG2-CG1 3.85Å; E150-I215 HydrophobicContact CG-CD1 3.5Å; R198-I215 HydrophobicContact CG-CG2 4.12Å; R198-I215 CarbonylContact O-C 3.58Å; R198-I215 WeakPolarHBondContact O-CA 3.18Å; F199-I215 HydrophobicContact CE1-CG1 4.49Å; I215-P217 WeakPolarHBondContact O-CD 3.12Å |
| 216 | N | 91.6 | Very high | 73.4 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 22% | 0.219 | 50% | 0.497 | C | S | . | . | | | trans | -59.3 | 115.2 | 170.1 | -176.2 | -9.3 | 0 | 0 | 0 | 109.1 | S197 R198 I200 E218 G219 G220 | S197-N216 PolarHBondContact O-ND2 2.72Å; S197-N216 VanDerWaalsContact O-ND2 3.16Å; R198-N216 VanDerWaalsContact O-CB 3.3Å; R198-N216 WeakPolarHBondContact O-CB 3.44Å; R198-N216 PolarHBondContact O-N 3.31Å; I200-N216 HydrophobicContact CG2-CB 4.12Å; N216-E218 VanDerWaalsContact C-N 3.26Å; N216-E218 PolarHBondContact O-N 3.4Å; N216-E218 WeakPolarHBondContact OD1-CB 3.43Å; N216-E218 PolarHBondContact OD1-N 3.07Å; N216-G219 CarbonylContact O-C 3.35Å; N216-G219 PolarHBondContact O-N 3.37Å; N216-G220 PolarHBondContact O-N 3.05Å |
| 217 | P | 85.4 | Confident | 72.4 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -58.9 | -40.6 | -176.5 | 22.5 | -32.3 | 0 | 0 | 0 | 111.6 | I215 G219 G220 | I215-P217 WeakPolarHBondContact O-CD 3.12Å; P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.09Å; P217-G220 PolarHBondContact O-N 3.47Å |
| 218 | E | 71.1 | Confident | 72 | Confident | 142 Ų | 142 | 92.1 Ų | 92.1 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -64.3 | -29.4 | 177.1 | -50.8 | -52 | 114.7 | 0 | 0 | 112.7 | N216 | N216-E218 VanDerWaalsContact C-N 3.26Å; N216-E218 PolarHBondContact O-N 3.4Å; N216-E218 WeakPolarHBondContact OD1-CB 3.43Å; N216-E218 PolarHBondContact OD1-N 3.07Å |
| 219 | G | 62.6 | Low | 71.2 | Confident | 34 Ų | 34 | 99.2 Ų | 99.2 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -93.1 | 0.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R198 N216 P217 | R198-G219 PolarHBondContact NE-O 3.45Å; N216-G219 CarbonylContact O-C 3.35Å; N216-G219 PolarHBondContact O-N 3.37Å; P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.09Å |
| 220 | G | 61.8 | Low | 69.9 | Low | 37 Ų | 37 | 97.8 Ų | 97.8 | 38% | 0.381 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -59.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N216 P217 | N216-G220 PolarHBondContact O-N 3.05Å; P217-G220 PolarHBondContact O-N 3.47Å |
| 221 | K | 57.6 | Low | 68.1 | Low | 173 Ų | 173 | 100 Ų | 100 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | -4.7 | -163.5 | -60.3 | -179.7 | -175.2 | 170.2 | 0 | 114.7 | E150 | E150-K221 WeakPolarHBondContact OE1-CE 3.4Å; E150-K221 IonicContact OE1-NZ 3.86Å; E150-K221 PolarHBondContact OE1-NZ 2.71Å |
| 222 | G | 49 | Very low | 65.9 | Low | 51 Ų | 51 | 104.2 Ų | 104.2 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -75.8 | 122.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 223 | G | 48.4 | Very low | 63.8 | Low | 75 Ų | 75 | 111 Ų | 111 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 129.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A225 | G223-A225 PolarHBondContact O-N 2.73Š|
| 224 | K | 49.9 | Very low | 61.6 | Low | 205 Ų | 205 | 115.5 Ų | 115.5 | 89% | 0.891 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 42.7 | 63.9 | 170.3 | -63.2 | -179.5 | -180 | 176.3 | 0 | 113.9 | P226 | K224-P226 VanDerWaalsContact O-CD 3.22Å; K224-P226 WeakPolarHBondContact O-CD 3.18Å |
| 225 | A | 48.6 | Very low | 59 | Low | 80 Ų | 80 | 120 Ų | 120 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | | | trans | -42.6 | 112.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G223 R227 | G223-A225 PolarHBondContact O-N 2.73Å; A225-R227 PolarHBondContact O-N 3.17Å |
| 226 | P | 48.6 | Very low | 56.8 | Low | 108 Ų | 108 | 123 Ų | 123 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | | | trans | -61.1 | 129.4 | -175.2 | -25.7 | 35.2 | 0 | 0 | 0 | 109.6 | K224 R228 | K224-P226 VanDerWaalsContact O-CD 3.22Å; K224-P226 WeakPolarHBondContact O-CD 3.18Å; P226-R228 PolarHBondContact O-N 2.93Å |
| 227 | R | 58.1 | Low | 54.5 | Low | 246 Ų | 246 | 128.3 Ų | 128.3 | 93% | 0.928 | 71% | 0.711 | S | S | * | * | | | trans | -67.3 | 80.4 | 171.5 | -176.6 | -176.2 | -75.3 | 160.2 | -5.4 | 108.3 | A225 R229 | A225-R227 PolarHBondContact O-N 3.17Å; R227-R229 PolarHBondContact O-N 2.89Å |
| 228 | R | 56.3 | Low | 52.5 | Low | 203 Ų | 203 | 130.8 Ų | 130.8 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 126.8 | 176.5 | -65.6 | -175.8 | 73.2 | -170.6 | 1.6 | 107.3 | P226 | P226-R228 PolarHBondContact O-N 2.93Š|
| 229 | R | 54.5 | Low | 50.9 | Low | 233 Ų | 233 | 133 Ų | 133 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 143.4 | 165.1 | -63.7 | -178.5 | 178.5 | 95.5 | -2.2 | 107.4 | R227 V231 | R227-R229 PolarHBondContact O-N 2.89Å; R229-V231 PolarHBondContact O-N 3.01Å; R229-V231 VanDerWaalsContact O-N 3.14Å |
| 230 | A | 55.6 | Low | 49.8 | Very low | 106 Ų | 106 | 138 Ų | 138 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.9 | -178 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 231 | V | 52.4 | Low | 48.9 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 131.1 | 159.9 | -71.3 | 0 | 0 | 0 | 0 | 106.8 | R229 M233 | R229-V231 PolarHBondContact O-N 3.01Å; R229-V231 VanDerWaalsContact O-N 3.14Å; V231-M233 PolarHBondContact O-N 3.05Å |
| 232 | S | 50.5 | Low | 47.9 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.3 | 170.4 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 233 | M | 51.2 | Low | 47.6 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -93.5 | 100.3 | 166.4 | -80.8 | 179.9 | 58.7 | 0 | 0 | 108.7 | V231 N235 | V231-M233 PolarHBondContact O-N 3.05Å; M233-N235 PolarHBondContact O-N 3.08Å |
| 234 | D | 48.9 | Very low | 47.3 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -69.6 | 106.2 | 165.3 | 51.5 | -65.1 | 0 | 0 | 0 | 110.3 | S236 | D234-S236 PolarHBondContact O-N 3.44Š|
| 235 | N | 42.6 | Very low | 46.8 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -78.8 | 83.7 | -179.3 | -179 | 17.4 | 0 | 0 | 0 | 111.6 | M233 N237 | M233-N235 PolarHBondContact O-N 3.08Å; N235-N237 VanDerWaalsContact C-N 3.35Å; N235-N237 PolarHBondContact O-N 3.16Å; N235-N237 PolarHBondContact OD1-N 3.4Å |
| 236 | S | 48.3 | Very low | 46.4 | Very low | 94 Ų | 94 | 155.8 Ų | 155.8 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | | | trans | -90.5 | 34.9 | 177.9 | 60 | 0 | 0 | 0 | 0 | 114.5 | D234 K238 | D234-S236 PolarHBondContact O-N 3.44Å; S236-K238 VanDerWaalsContact C-N 3.34Å; S236-K238 PolarHBondContact O-N 2.91Å; S236-K238 VanDerWaalsContact O-N 3.1Å |
| 237 | N | 43 | Very low | 45.6 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -89.8 | 64.3 | 178.1 | -155 | 29.3 | 0 | 0 | 0 | 114.4 | N235 | N235-N237 VanDerWaalsContact C-N 3.35Å; N235-N237 PolarHBondContact O-N 3.16Å; N235-N237 PolarHBondContact OD1-N 3.4Å |
| 238 | K | 42.6 | Very low | 44.6 | Very low | 140 Ų | 140 | 149 Ų | 149 | 61% | 0.609 | 80% | 0.801 | S | S | * | * | | | trans | -143.7 | 133.3 | 164.1 | 59.1 | -176 | -177.8 | 170.4 | 0 | 106.4 | S236 | S236-K238 VanDerWaalsContact C-N 3.34Å; S236-K238 PolarHBondContact O-N 2.91Å; S236-K238 VanDerWaalsContact O-N 3.1Å |
| 239 | Y | 38.3 | Very low | 43.5 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | | | cis | -146.1 | 143.8 | 26.5 | -42.2 | -101.8 | 0 | 0 | 0 | 110.8 | | |
| 240 | T | 40.5 | Very low | 42.5 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -129.2 | 154.2 | 146.8 | 60.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 241 | K | 41 | Very low | 41.5 | Very low | 206 Ų | 206 | 148.3 Ų | 148.3 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 63.3 | 76.1 | 172.5 | -160.4 | 163.7 | -173.7 | 169.9 | 0 | 118 | | |
| 242 | S | 37.8 | Very low | 40.5 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | -164 | 30.2 | 144.4 | 39.7 | 0 | 0 | 0 | 0 | 114.6 | R244 | S242-R244 PolarHBondContact O-N 2.88Š|
| 243 | A | 41.9 | Very low | 39.4 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 93% | 0.934 | 82% | 0.82 | S | S | * | * | | | trans | -78.4 | 53.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 244 | R | 43.1 | Very low | 38.3 | Very low | 248 Ų | 248 | 147.5 Ų | 147.5 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -155.6 | 116.9 | 161.5 | -162.8 | 164.3 | -174.2 | 123.2 | -1.1 | 111.6 | S242 | S242-R244 PolarHBondContact O-N 2.88Š|
| 245 | G | 37.9 | Very low | 37.6 | Very low | 60 Ų | 60 | 148.7 Ų | 148.7 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 126 | 65.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 246 | R | 40.5 | Very low | 37.1 | Very low | 253 Ų | 253 | 149.9 Ų | 149.9 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | | | | 177.3 | 96.6 | 126.1 | -98.9 | 166.5 | -77.9 | -170.6 | -3.5 | 112.3 | | |
| 247 | A | 33.1 | Very low | 36.1 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | | | trans | -128.5 | 73.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 248 | A | 36.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 149 Ų | 149 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -163.9 | 105.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 249 | A | 33.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 147 Ų | 147 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | | | trans | -151.3 | 39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 250 | K | 34 | Very low | 34.4 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | | | trans | -158.2 | 89.2 | 175.5 | -152.4 | 173.4 | -170.8 | 176.9 | 0 | 115.6 | | |
| 251 | K | 34.3 | Very low | 33.9 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 92% | 0.922 | 84% | 0.84 | S | S | * | * | | | | -160.6 | 157.4 | 127.8 | -128.4 | -178.4 | 179.3 | -177.2 | 0 | 112.4 | | |
| 252 | K | 31.9 | Very low | 33.6 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | | | trans | -111.9 | 154.9 | 177.2 | 179.4 | -172.1 | 173.9 | -178.3 | 0 | 108.7 | | |
| 253 | A | 26.8 | Very low | 33.2 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 84% | 0.837 | S | S | * | * | | | trans | 87.6 | 147.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 254 | A | 27.9 | Very low | 32.6 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | | | trans | 96.9 | 121.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 255 | L | 34.6 | Very low | 32 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 82% | 0.817 | 83% | 0.832 | S | S | * | * | | | trans | 71.6 | 151 | 147.1 | -60.3 | 168.2 | 0 | 0 | 0 | 117.6 | | |
| 256 | Q | 31.3 | Very low | 31.7 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 81% | 0.813 | 85% | 0.846 | S | S | * | * | | | cis | -154.1 | 163.3 | -22.7 | -175.6 | 162.4 | 7.8 | 0 | 0 | 109.5 | | |
| 257 | A | 27.6 | Very low | 31.2 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 70% | 0.702 | 84% | 0.84 | S | S | * | * | | | trans | -77.8 | -171 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 258 | V | 29.1 | Very low | 31.2 | Very low | 144 Ų | 144 | 127 Ų | 127 | 87% | 0.873 | 84% | 0.84 | S | S | * | * | | | trans | 88.1 | 108.1 | 168.4 | -171.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 259 | A | 32.3 | Very low | 31.1 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | | | | 177.8 | 89.5 | 122.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 260 | A | 27.9 | Very low | 31.1 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -162.7 | 98 | 165 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 261 | A | 29.7 | Very low | 31 | Very low | 107 Ų | 107 | 124 Ų | 124 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | | | trans | -178.9 | 93.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 262 | A | 33.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 117 Ų | 117 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | 176.7 | 133.7 | 152 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 263 | G | 30.4 | Very low | 31.6 | Very low | 68 Ų | 68 | 113.4 Ų | 113.4 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | cis | 167.3 | 103.2 | -9.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 264 | E | 29.5 | Very low | 32 | Very low | 207 Ų | 207 | 113.7 Ų | 113.7 | 97% | 0.967 | 81% | 0.81 | S | S | * | * | | | trans | 61.3 | 149.1 | 173 | -50.9 | -160.9 | 142.6 | 0 | 0 | 117.6 | | |
| 265 | G | 30.1 | Very low | 32.1 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | cis | 177.8 | 168.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 266 | G | 30.7 | Very low | 32.3 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | | | trans | 96.2 | 131.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 267 | G | 30.7 | Very low | 32.8 | Very low | 80 Ų | 80 | 119.7 Ų | 119.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | 132.4 | 56.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 268 | D | 32.5 | Very low | 32.9 | Very low | 166 Ų | 166 | 117.9 Ų | 117.9 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | 65.2 | 164.7 | 162.8 | -112.6 | -56.4 | 0 | 0 | 0 | 120.9 | | |
| 269 | S | 34.3 | Very low | 32.9 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -94 | 146 | -161.1 | -63.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 270 | P | 33.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -102.3 | 151.6 | -171.2 | 38.2 | -35.1 | 0 | 0 | 0 | 115.2 | | |
| 271 | S | 32.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 115.9 Ų | 115.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -154.6 | 72.1 | 149.9 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 272 | G | 39.5 | Very low | 33.5 | Very low | 64 Ų | 64 | 115.8 Ų | 115.8 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | trans | -72.4 | 165.2 | 154 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 273 | P | 40 | Very low | 33.4 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | | -113.3 | 142 | 84.8 | -8.1 | 28 | 0 | 0 | 0 | 112.7 | | |
| 274 | S | 34.7 | Very low | 33.4 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | | 64.9 | 134.3 | 79.2 | -61.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 275 | K | 30.1 | Very low | 33.6 | Very low | 181 Ų | 181 | 119.8 Ų | 119.8 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | cis | -166.3 | 144.5 | -8.4 | -135.5 | 137.9 | 51.8 | -165.8 | 0 | 110.5 | | |
| 276 | W | 39.4 | Very low | 33.8 | Very low | 232 Ų | 232 | 125.3 Ų | 125.3 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -119 | 165.2 | 156.8 | -78.6 | 101 | 0 | 0 | 0 | 106.9 | | |
| 277 | P | 40.5 | Very low | 34 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | | | cis | -110 | -179.4 | 17.4 | 41.3 | -31.6 | 0 | 0 | 0 | 113.9 | | |
| 278 | G | 29.5 | Very low | 34.2 | Very low | 47 Ų | 47 | 133.9 Ų | 133.9 | 49% | 0.485 | 78% | 0.775 | S | S | . | * | | | cis | 150.9 | 126.2 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 279 | S | 29.6 | Very low | 34.6 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 56% | 0.559 | 77% | 0.768 | S | S | * | * | | | trans | 65.6 | 154.4 | 166.9 | -58.1 | 0 | 0 | 0 | 0 | 118.9 | E3 | E3-S279 PolarHBondContact OE1-OG 3.13Å; E3-S279 PolarHBondContact OE2-OG 3.07Å |
| 280 | P | 43.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | | | cis | -144.9 | -179.5 | -34.8 | 38.7 | -19.9 | 0 | 0 | 0 | 116.4 | | |
| 281 | T | 27.3 | Very low | 35 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | 94.8 | 98.3 | 145.2 | -49.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 282 | S | 32.8 | Very low | 35.5 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | 64.8 | 125.8 | 133.2 | -49.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 283 | R | 30.2 | Very low | 35.3 | Very low | 235 Ų | 235 | 140.8 Ų | 140.8 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | | 159.5 | 162.9 | 109 | -84.2 | -173.4 | 81.6 | 155.3 | 4.8 | 113.8 | | |
| 284 | S | 31.3 | Very low | 35 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 73.3 | 134.7 | 176.9 | 3.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 285 | S | 31.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | cis | 92.6 | 72.6 | 20.7 | -172.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 286 | E | 34.8 | Very low | 35.4 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | -148.3 | 77.5 | 175.1 | -170.1 | 161.8 | -155.9 | 0 | 0 | 111 | | |
| 287 | E | 35.9 | Very low | 35.3 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | -151.7 | 73.5 | 170.2 | -165.8 | -168.4 | 175.5 | 0 | 0 | 110.1 | | |
| 288 | L | 35.1 | Very low | 35 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -153.9 | -12.9 | 174.1 | -156.1 | 55.5 | 0 | 0 | 0 | 116.2 | A290 | L288-A290 PolarHBondContact O-N 3.35Š|
| 289 | D | 39.7 | Very low | 35.3 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -85.3 | 0 | -172.7 | -79.6 | -63.8 | 0 | 0 | 0 | 115.6 | W291 | D289-W291 PolarHBondContact O-N 3.47Å; D289-W291 VanDerWaalsContact O-N 3.12Å |
| 290 | A | 37.8 | Very low | 35.5 | Very low | 94 Ų | 94 | 155.8 Ų | 155.8 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -71.7 | -1.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | L288 | L288-A290 PolarHBondContact O-N 3.35Š|
| 291 | W | 38.3 | Very low | 35.4 | Very low | 245 Ų | 245 | 159 Ų | 159 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -127.9 | 25.2 | -167.4 | -81.6 | 85.4 | 0 | 0 | 0 | 115.8 | D289 | D289-W291 PolarHBondContact O-N 3.47Å; D289-W291 VanDerWaalsContact O-N 3.12Å |
| 292 | T | 43 | Very low | 35.6 | Very low | 113 Ų | 113 | 158.2 Ų | 158.2 | 69% | 0.693 | 83% | 0.833 | S | S | * | * | | | trans | -118.5 | -20.8 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 116.9 | F294 | T292-F294 PolarHBondContact O-N 2.92Š|
| 293 | D | 36.3 | Very low | 35.7 | Very low | 141 Ų | 141 | 158.5 Ų | 158.5 | 75% | 0.754 | 84% | 0.835 | S | S | * | * | | | trans | -85.8 | 62.7 | -175.7 | -168.9 | 28.2 | 0 | 0 | 0 | 114.9 | | |
| 294 | F | 32.3 | Very low | 35.9 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -148.5 | 60.9 | 158.2 | -86.2 | -58.4 | 0 | 0 | 0 | 113.5 | T292 | T292-F294 PolarHBondContact O-N 2.92Š|
| 295 | R | 39.7 | Very low | 36.2 | Very low | 233 Ų | 233 | 156.9 Ų | 156.9 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | S | Bend | trans | 164.5 | 91.9 | 133.2 | -88 | 158.6 | -164.2 | -80.1 | -2.8 | 112.7 | | |
| 296 | S | 34.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | | | trans | -152.7 | 95.6 | 149.8 | -83.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 297 | R | 36.8 | Very low | 36.2 | Very low | 241 Ų | 241 | 151 Ų | 151 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | | | trans | -131.9 | 150.6 | 176.3 | -96 | -171.7 | 167.7 | -152.7 | -3.4 | 110.9 | | |
| 298 | T | 34.1 | Very low | 36.3 | Very low | 126 Ų | 126 | 153.2 Ų | 153.2 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | 59.5 | 78.7 | 175.8 | 64.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 299 | N | 36 | Very low | 36.3 | Very low | 171 Ų | 171 | 153 Ų | 153 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | | | trans | -82.1 | 133.9 | 133.2 | -84.1 | 3.2 | 0 | 0 | 0 | 107.7 | | |
| 300 | S | 34.8 | Very low | 36.3 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | | | trans | -150.7 | 129.7 | 172.6 | -68 | 0 | 0 | 0 | 0 | 110 | | |
| 301 | N | 39.8 | Very low | 36.9 | Very low | 174 Ų | 174 | 153 Ų | 153 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | | | trans | -80.5 | 136.9 | 175.8 | -70.8 | -37.3 | 0 | 0 | 0 | 110.4 | | |
| 302 | A | 32.1 | Very low | 36.7 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | | | trans | -145.6 | 148.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 303 | S | 34.6 | Very low | 36.2 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | -103.1 | 162.5 | -156.3 | -57.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 304 | T | 36 | Very low | 36.1 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | | | trans | -24.9 | 135 | 161 | 53.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 305 | L | 36.4 | Very low | 36.1 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | | | trans | -134 | 157.7 | 151.4 | -78.4 | 178.8 | 0 | 0 | 0 | 110.9 | | |
| 306 | S | 35.1 | Very low | 37 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -101.8 | 158 | -162.9 | 179.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 307 | G | 32.5 | Very low | 36.8 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | | | trans | 178.7 | 58.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 308 | R | 37.2 | Very low | 36.9 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | | | trans | 69 | 155.9 | 157.2 | -53.8 | 177.6 | 166.4 | -168.2 | -6.4 | 116.3 | | |
| 309 | L | 34.2 | Very low | 37 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | | | cis | -131.6 | 168.9 | 2.6 | -75.9 | 172.4 | 0 | 0 | 0 | 111.3 | | |
| 310 | S | 41.4 | Very low | 36.9 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -142 | 147.7 | 161 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 311 | P | 49.3 | Very low | 37.3 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -129.7 | 115.8 | 141.4 | 21.4 | -2.6 | 0 | 0 | 0 | 110.7 | | |
| 312 | I | 34.7 | Very low | 38.1 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | | 78.5 | 101.8 | 77 | -63.7 | 159.6 | 0 | 0 | 0 | 114.4 | | |
| 313 | L | 33.2 | Very low | 38.2 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | | -173.1 | 119.3 | 128.7 | -118 | 84.7 | 0 | 0 | 0 | 105.2 | | |
| 314 | A | 33.8 | Very low | 38.3 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | | 59.3 | 130.9 | 74 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 315 | N | 32.7 | Very low | 38.4 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | cis | -155.2 | -148.5 | -10.8 | -147.8 | 16 | 0 | 0 | 0 | 108.7 | | |
| 316 | P | 56.9 | Low | 39.4 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -125.9 | 179.3 | -147.7 | 41.9 | -20.9 | 0 | 0 | 0 | 116.7 | | |
| 317 | E | 31.2 | Very low | 40.2 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -174.6 | 138.1 | 142 | -99.2 | 170.5 | 152.4 | 0 | 0 | 106.9 | | |
| 318 | L | 39.3 | Very low | 40.2 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | | 55.9 | 136.3 | 81.8 | -61.4 | 171 | 0 | 0 | 0 | 112.9 | | |
| 319 | D | 36.1 | Very low | 40.3 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | cis | -144.4 | 156.4 | 15.8 | -132.8 | 20 | 0 | 0 | 0 | 109.3 | | |
| 320 | E | 34.6 | Very low | 40.8 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | | 33.8 | 141.6 | 89.2 | -57.7 | -147.9 | 118.3 | 0 | 0 | 115.8 | | |
| 321 | V | 42 | Very low | 40.7 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | cis | -157.3 | 168.2 | 1.3 | 107.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 322 | P | 57 | Low | 40 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -98.2 | 171.8 | -169.7 | 39.6 | -37 | 0 | 0 | 0 | 116.2 | | |
| 323 | D | 34.5 | Very low | 39.8 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -177.5 | 155.4 | 160.9 | -111.3 | -156 | 0 | 0 | 0 | 107.9 | | |
| 324 | D | 35.8 | Very low | 39.8 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | | | cis | -156.9 | -171.7 | -27.4 | -158.4 | -8.5 | 0 | 0 | 0 | 108.9 | | |
| 325 | E | 38.1 | Very low | 39.8 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -63.7 | 161.2 | -168.6 | -103.1 | -136.7 | 114.3 | 0 | 0 | 118.5 | | |
| 326 | P | 58.6 | Low | 40.5 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | trans | -82.4 | -176.4 | 176.3 | 39.6 | -38 | 0 | 0 | 0 | 112.1 | | |
| 327 | P | 51 | Low | 39.5 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | | -158.3 | -177.5 | 98 | 39 | -18.1 | 0 | 0 | 0 | 117.2 | | |
| 328 | L | 32.3 | Very low | 39.9 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | 73.5 | 115.1 | 159.1 | -52.7 | -175.5 | 0 | 0 | 0 | 120.9 | | |
| 329 | S | 38.9 | Very low | 39.8 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -80.9 | 147.7 | 149.4 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 330 | P | 46.4 | Very low | 39.8 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -125.5 | 168.9 | 142 | 36.4 | -27.3 | 0 | 0 | 0 | 112.4 | | |
| 331 | M | 39.3 | Very low | 39.8 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | -123.8 | 159.7 | -166.6 | -146.5 | 172.8 | 76.4 | 0 | 0 | 111.6 | | |
| 332 | I | 34.5 | Very low | 40.7 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | | | trans | 87.3 | 109.2 | 159.5 | -61.3 | -63.4 | 0 | 0 | 0 | 120.4 | | |
| 333 | Y | 30.1 | Very low | 39.4 | Very low | 206 Ų | 206 | 132 Ų | 132 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | 87.5 | 115 | 137.9 | -91.1 | -129.4 | 0 | 0 | 0 | 125.9 | | |
| 334 | S | 31.8 | Very low | 39.3 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | | 74.7 | 102.6 | 121.9 | -62.3 | 0 | 0 | 0 | 0 | 124.8 | | |
| 335 | S | 35.5 | Very low | 39.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | | 55.5 | 131.5 | 124.6 | -53.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 336 | P | 47 | Very low | 39 | Very low | 138 Ų | 138 | 133 Ų | 133 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | | | trans | -104.9 | 172.8 | 148 | 37.7 | -29.8 | 0 | 0 | 0 | 113.3 | | |
| 337 | G | 35.8 | Very low | 37.9 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -171 | -153.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 338 | K | 39.6 | Very low | 37.2 | Very low | 218 Ų | 218 | 136.8 Ų | 136.8 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | | | trans | 86.4 | 141.5 | -166.3 | -61.8 | 179.9 | 172.8 | 178.4 | 0 | 113.7 | | |
| 339 | A | 37 | Very low | 37.1 | Very low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | cis | -137.2 | -157.1 | 3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 340 | L | 36.3 | Very low | 36.9 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | cis | -150.6 | -140.1 | 5.6 | -141.6 | 178.2 | 0 | 0 | 0 | 110.4 | | |
| 341 | S | 34.2 | Very low | 37.3 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | | | trans | -170.9 | 177.8 | -174.3 | -123.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 342 | P | 61.5 | Low | 37 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | cis | -137 | 171.1 | -6.2 | 39.5 | -22.8 | 0 | 0 | 0 | 116.5 | | |
| 343 | G | 29.9 | Very low | 37.1 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | 146.7 | 102.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 344 | K | 31.6 | Very low | 37.5 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | | | trans | 76.7 | 133 | 149.8 | -67.1 | -175.6 | 176.4 | 179.3 | 0 | 123.2 | | |
| 345 | T | 34.8 | Very low | 38.3 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | 67.2 | 106.4 | 150.3 | 48.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 346 | N | 32.8 | Very low | 38.4 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | | | trans | 26.4 | 143.3 | 140.9 | -64.6 | -1.3 | 0 | 0 | 0 | 122.4 | | |
| 347 | G | 35.1 | Very low | 38.1 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | 151.8 | 15.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 348 | K | 36 | Very low | 38.4 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | | | trans | -18.2 | 140.8 | 177 | -167.1 | -179.3 | -176.4 | -175.7 | 0 | 118.9 | | |
| 349 | A | 31.5 | Very low | 38.4 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | | | trans | -130.6 | 163.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 350 | V | 35.3 | Very low | 39.2 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | | | trans | 70.7 | 143.9 | 155.5 | 163.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 351 | P | 54.4 | Low | 39.3 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | | | cis | -141.7 | -147.2 | -31.6 | 42.8 | -21.5 | 0 | 0 | 0 | 113.9 | | |
| 352 | T | 33.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | | | trans | 88.7 | 173 | 156.2 | 25.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 353 | E | 35.2 | Very low | 38.4 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | | | trans | -109.4 | 164.2 | -139.2 | -56.1 | -177.7 | 140.9 | 0 | 0 | 118.8 | | |
| 354 | L | 38.4 | Very low | 38.6 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | | | trans | 32.5 | 117.9 | 146.5 | -68.8 | 171.6 | 0 | 0 | 0 | 121.6 | | |
| 355 | P | 48.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 143 Ų | 143 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | | | trans | -75.2 | 157 | 160.1 | -10.2 | 27.5 | 0 | 0 | 0 | 113.3 | | |
| 356 | R | 37.6 | Very low | 39.2 | Very low | 242 Ų | 242 | 143.8 Ų | 143.8 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | | | trans | -111.4 | 157.4 | 171.7 | -78.9 | -169.8 | 175.7 | -169.9 | 0.3 | 112.5 | A358 | R356-A358 PolarHBondContact O-N 2.91Š|
| 357 | L | 42.5 | Very low | 39.4 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 96% | 0.963 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -68.3 | 101.7 | 174 | -63.9 | 166.4 | 0 | 0 | 0 | 111.3 | | |
| 358 | A | 41.1 | Very low | 39.5 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -156.7 | 18.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R356 | R356-A358 PolarHBondContact O-N 2.91Š|
| 359 | D | 40.5 | Very low | 39.6 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | -136.3 | 24.2 | -166.9 | -99.8 | -38.5 | 0 | 0 | 0 | 115.9 | | |
| 360 | L | 53.9 | Low | 40.1 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | | | trans | -133.4 | 58.8 | 178.6 | -69.5 | 174.3 | 0 | 0 | 0 | 112.7 | | |
| 361 | A | 37.9 | Very low | 40.8 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | | | trans | -129 | 136.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 362 | N | 35.4 | Very low | 40.6 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 68.4 | 129.3 | -160 | -48.6 | -32.3 | 0 | 0 | 0 | 111.7 | | |
| 363 | T | 40 | Very low | 41.1 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | cis | -121.1 | 139.6 | 28.8 | 52.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 364 | M | 35.3 | Very low | 42 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | trans | -52.9 | 162.7 | 150.1 | -84.2 | 179 | -73.2 | 0 | 0 | 112.3 | | |
| 365 | N | 33.5 | Very low | 42.7 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | | | cis | -171.3 | 152.4 | -0.2 | 153.4 | -75.7 | 0 | 0 | 0 | 109.6 | | |
| 366 | L | 44.7 | Very low | 42.8 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | 31.6 | 127.7 | 163.7 | -58 | 169.5 | 0 | 0 | 0 | 121.4 | | |
| 367 | N | 37.4 | Very low | 43.2 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | | -161.9 | 164.1 | 95.3 | -151.3 | 66.2 | 0 | 0 | 0 | 113 | | |
| 368 | D | 36.7 | Very low | 43.5 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -35 | 145.9 | -173.4 | -53.8 | -53.1 | 0 | 0 | 0 | 120.4 | | |
| 369 | G | 38.4 | Very low | 44.2 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | | 117.4 | 49.2 | 113 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 370 | I | 43.3 | Very low | 44.5 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | | | trans | -147.8 | 121.1 | 148.1 | 28.3 | 172.9 | 0 | 0 | 0 | 110.8 | | |
| 371 | A | 49.7 | Very low | 43.9 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -130.9 | 79.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 372 | Q | 48.7 | Very low | 44.4 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | trans | -155.8 | -175.2 | 169.7 | -152.2 | 70.9 | 9.8 | 0 | 0 | 106.7 | L374 | Q372-L374 PolarHBondContact O-N 3.11Š|
| 373 | D | 45.3 | Very low | 44.5 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 65.5 | -14.4 | 168.4 | -47.4 | -13.7 | 0 | 0 | 0 | 117.9 | | |
| 374 | L | 52.5 | Low | 44.3 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 8.6 | -176.8 | -119.2 | 168 | 0 | 0 | 0 | 115 | Q372 | Q372-L374 PolarHBondContact O-N 3.11Š|
| 375 | M | 53.4 | Low | 44.2 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -10.8 | 173.2 | -66.6 | -161 | -63.1 | 0 | 0 | 114 | | |
| 376 | D | 50.4 | Low | 44.4 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -36.8 | -176.5 | -58 | -75.9 | 0 | 0 | 0 | 112.5 | F378 L379 | D376-F378 PolarHBondContact O-N 2.9Å; D376-L379 PolarHBondContact O-N 3.29Å; D376-L379 VanDerWaalsContact O-N 3.17Å |
| 377 | D | 46.8 | Very low | 43.7 | Very low | 129 Ų | 129 | 141 Ų | 141 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -11.3 | -178.9 | -164.7 | 50.2 | 0 | 0 | 0 | 114.2 | | |
| 378 | F | 49.4 | Very low | 43.3 | Very low | 179 Ų | 179 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -9.6 | 179.7 | -134.9 | -89.5 | 0 | 0 | 0 | 114.7 | D376 | D376-F378 PolarHBondContact O-N 2.9Š|
| 379 | L | 54.7 | Low | 42.9 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -34.8 | -179.8 | -99.4 | 69.8 | 0 | 0 | 0 | 113.8 | D376 N381 | D376-L379 PolarHBondContact O-N 3.29Å; D376-L379 VanDerWaalsContact O-N 3.17Å; L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 3.17Å |
| 380 | D | 47.8 | Very low | 42.4 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -17.6 | -173.3 | -84.9 | -12.8 | 0 | 0 | 0 | 114.2 | I382 | D380-I382 PolarHBondContact O-N 2.9Å; D380-I382 VanDerWaalsContact O-N 3.12Å |
| 381 | N | 40.5 | Very low | 41.9 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 1.3 | 177.8 | -100.6 | -70.2 | 0 | 0 | 0 | 114.9 | L379 | L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 3.17Å |
| 382 | I | 48 | Very low | 41.8 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -115.1 | 50.7 | -179.7 | -40.8 | -175.8 | 0 | 0 | 0 | 112.1 | D380 | D380-I382 PolarHBondContact O-N 2.9Å; D380-I382 VanDerWaalsContact O-N 3.12Å |
| 383 | K | 39 | Very low | 40.9 | Very low | 186 Ų | 186 | 139.6 Ų | 139.6 | 81% | 0.809 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -152.9 | 83.8 | 165.2 | -113.5 | 158.2 | -169.6 | 170.2 | 0 | 115.4 | | |
| 384 | L | 33.9 | Very low | 40.4 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | 48 | 107.3 | 145.2 | -67 | 165.2 | 0 | 0 | 0 | 119.1 | | |
| 385 | V | 33.5 | Very low | 39.3 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | | | trans | -117 | 126.9 | 154.7 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 386 | P | 38.4 | Very low | 38.2 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | trans | -113.6 | 161.8 | 155.2 | 36.9 | -28.8 | 0 | 0 | 0 | 112.4 | | |
| 387 | T | 30 | Very low | 37.4 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | trans | 97.4 | 134.7 | 160.9 | -33.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 388 | T | 29.8 | Very low | 36.7 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | | | trans | -90.9 | 159.1 | 179.3 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 389 | C | 27.8 | Very low | 35.8 | Very low | 117 Ų | 117 | 131 Ų | 131 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | | 159.4 | 132.5 | 119.1 | -88.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 390 | S | 27.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | 169.9 | 151 | 150.9 | 34.5 | 0 | 0 | 0 | 0 | 108 | | |
| 391 | Q | 31.9 | Very low | 34.1 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | cis | -159.9 | 162.5 | -6.9 | -113.5 | -83 | -30.9 | 0 | 0 | 106.3 | | |
| 392 | P | 47.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | | -156.1 | 150.5 | 94.7 | 38.9 | -18.8 | 0 | 0 | 0 | 119 | | |
| 393 | M | 30.8 | Very low | 33 | Very low | 138 Ų | 138 | 130 Ų | 130 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | | | trans | 87.9 | 114.3 | 143.5 | -65.6 | -96.3 | 93.1 | 0 | 0 | 122.1 | | |
| 394 | Q | 33.6 | Very low | 32.8 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 82.7 | 116.2 | 131 | -68.7 | -169 | 45.2 | 0 | 0 | 123.8 | | |
| 395 | N | 30.8 | Very low | 33 | Very low | 169 Ų | 169 | 128.1 Ų | 128.1 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | | | trans | 83.8 | 144.6 | 132.6 | -157.1 | 34.4 | 0 | 0 | 0 | 120.3 | | |
| 396 | G | 30.3 | Very low | 34 | Very low | 59 Ų | 59 | 126.3 Ų | 126.3 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | 121.8 | 70 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 397 | S | 32.9 | Very low | 33.8 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | 23.2 | 121.7 | 144.3 | 58.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 398 | S | 32.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 58.1 | 128.8 | 135.6 | 63.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 399 | G | 30.2 | Very low | 34.2 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 178.4 | 93 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 400 | F | 33.5 | Very low | 34.3 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | | | trans | -72.7 | 140.7 | -170.8 | -60.3 | -87 | 0 | 0 | 0 | 117.6 | | |
| 401 | S | 33.2 | Very low | 34.6 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | | 67.8 | 159.4 | 123.5 | -66.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 402 | F | 34.4 | Very low | 35.7 | Very low | 189 Ų | 189 | 125.8 Ų | 125.8 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | cis | -171.2 | 154.9 | -16.4 | 166.2 | -88 | 0 | 0 | 0 | 111 | | |
| 403 | G | 30.4 | Very low | 35 | Very low | 59 Ų | 59 | 125.4 Ų | 125.4 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | 95.4 | 158.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 404 | S | 34.5 | Very low | 35.2 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | cis | -157.7 | 166.4 | -5.3 | -87.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 405 | K | 38.4 | Very low | 35.1 | Very low | 199 Ų | 199 | 121.5 Ų | 121.5 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | trans | -83.3 | -173.7 | 175.6 | -53.8 | -176.7 | 179.1 | -179.7 | 0 | 111.2 | | |
| 406 | P | 53.9 | Low | 35.3 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | cis | -142.5 | -175.6 | 3.3 | 43.4 | -23 | 0 | 0 | 0 | 118 | | |
| 407 | N | 35.5 | Very low | 35.5 | Very low | 163 Ų | 163 | 121.4 Ų | 121.4 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | 19.9 | 150.7 | 149.5 | -54.4 | 11.7 | 0 | 0 | 0 | 122 | | |
| 408 | G | 31.8 | Very low | 36.4 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | cis | 149.5 | 164.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 409 | L | 34.8 | Very low | 36.5 | Very low | 194 Ų | 194 | 121.9 Ų | 121.9 | 100% | 1.016 | 78% | 0.782 | S | S | * | * | | | trans | 66.4 | 134.9 | 169.2 | -66 | 162 | 0 | 0 | 0 | 119.5 | | |
| 410 | G | 30.1 | Very low | 37 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | 155.5 | 118.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 411 | S | 35 | Very low | 37.1 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -147.1 | 178.9 | 169.2 | -52.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 412 | P | 54.6 | Low | 37.2 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | cis | -135.3 | -162 | -1.9 | 40.1 | -20 | 0 | 0 | 0 | 113.6 | | |
| 413 | S | 33.5 | Very low | 37.1 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | 65.5 | 152.2 | 156.7 | 44.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 414 | S | 35.3 | Very low | 37.3 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | cis | -168.5 | 178.6 | -16 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 415 | T | 31.8 | Very low | 37.3 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 79.1 | 146.5 | 146.5 | 36.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 416 | S | 33.8 | Very low | 36.9 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 67.6 | 103.7 | 151.7 | 52.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 417 | S | 35.2 | Very low | 35.8 | Very low | 113 Ų | 113 | 117 Ų | 117 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -58.9 | 177.7 | 136.1 | -35.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 418 | P | 52.3 | Low | 35.7 | Very low | 111 Ų | 111 | 112.6 Ų | 112.6 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | cis | -150.7 | -168.2 | 21.8 | 44 | -21.8 | 0 | 0 | 0 | 118.5 | | |
| 419 | S | 34.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | 88.1 | 157.8 | 145.7 | -66.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 420 | S | 40.7 | Very low | 35.6 | Very low | 104 Ų | 104 | 110.8 Ų | 110.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -132.4 | 157.1 | -161.5 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 421 | N | 34.9 | Very low | 35.8 | Very low | 156 Ų | 156 | 117.2 Ų | 117.2 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | 169.7 | 160.2 | 158.2 | -93.5 | -26.1 | 0 | 0 | 0 | 109.8 | | |
| 422 | N | 35 | Very low | 35.8 | Very low | 134 Ų | 134 | 117.4 Ų | 117.4 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | cis | -162.9 | 154.2 | -27 | -170.3 | 8.9 | 0 | 0 | 0 | 109.2 | | |
| 423 | S | 32.6 | Very low | 34.7 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | 1.1 | 139.3 | 162.3 | -53.9 | 0 | 0 | 0 | 0 | 122 | | |
| 424 | S | 34.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | | 161.9 | 171.6 | 101.5 | 56.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 425 | N | 34.4 | Very low | 34.7 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | trans | -43 | 160.5 | -175.5 | -57.4 | -15.4 | 0 | 0 | 0 | 117.9 | | |
| 426 | G | 31.8 | Very low | 34.8 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | cis | 139.9 | 145.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 427 | G | 30.7 | Very low | 34.5 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 92% | 0.918 | 77% | 0.77 | S | S | * | * | | | trans | 111.7 | 134.8 | 162 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 428 | G | 32.2 | Very low | 35.6 | Very low | 72 Ų | 72 | 122.3 Ų | 122.3 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | 124.3 | 77.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 429 | N | 32.5 | Very low | 34.5 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | 58.2 | 149 | 146.8 | -67.1 | 13.6 | 0 | 0 | 0 | 121.4 | | |
| 430 | S | 33.5 | Very low | 34.6 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 48% | 0.483 | 77% | 0.768 | S | S | . | * | | | cis | -167.6 | 167 | -15 | -95.9 | 0 | 0 | 0 | 0 | 112 | | |
| 431 | Y | 32.8 | Very low | 34.3 | Very low | 211 Ų | 211 | 127.3 Ų | 127.3 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | 76.5 | 93.8 | 159 | -45.6 | -54.2 | 0 | 0 | 0 | 119.8 | | |
| 432 | S | 34.6 | Very low | 34.1 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -157.9 | 137.1 | 136.8 | -78 | 0 | 0 | 0 | 0 | 110.1 | | |
| 433 | N | 32.8 | Very low | 33.9 | Very low | 163 Ų | 163 | 123 Ų | 123 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -75.4 | 155.3 | 167.7 | -63.2 | -59.9 | 0 | 0 | 0 | 108.8 | | |
| 434 | S | 32 | Very low | 33.9 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | cis | -161.4 | 177.4 | 2 | -138.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 435 | I | 36.5 | Very low | 34 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | cis | -141.6 | -134.3 | 5 | -165.9 | 156.2 | 0 | 0 | 0 | 110.2 | | |
| 436 | F | 33 | Very low | 34 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | | | trans | -138.3 | 154.7 | -170 | -86.1 | -102.3 | 0 | 0 | 0 | 110.4 | Y439 | F436-Y439 HydrophobicContact CD1-CE2 4.03Å; F436-Y439 HydrophobicContact CE1-CE2 4.04Å |
| 437 | S | 28 | Very low | 34.6 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | 83.5 | 146.5 | 20.7 | -62.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 438 | P | 58 | Low | 34.6 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | trans | -117.3 | 163.8 | -158.6 | 41.5 | -30.1 | 0 | 0 | 0 | 115.6 | | |
| 439 | Y | 30.4 | Very low | 35.2 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -143.3 | 170.7 | 173 | -67 | -69.9 | 0 | 0 | 0 | 113 | F436 | F436-Y439 HydrophobicContact CD1-CE2 4.03Å; F436-Y439 HydrophobicContact CE1-CE2 4.04Å |
| 440 | T | 35.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | trans | -134 | 175.1 | -167.1 | 57 | 0 | 0 | 0 | 0 | 113.2 | | |
| 441 | A | 33.9 | Very low | 35.9 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | | | trans | 69.1 | 149 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 442 | G | 31.9 | Very low | 36 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | cis | 148.4 | 110.4 | -12.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 443 | S | 30.2 | Very low | 36.1 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -164 | 146.6 | 161.7 | -90.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 444 | S | 32.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -42.2 | 146.9 | 175.1 | -176 | 0 | 0 | 0 | 0 | 117 | | |
| 445 | L | 36.5 | Very low | 36.2 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | | -159 | 107.3 | 120.6 | -107 | 171.1 | 0 | 0 | 0 | 113.6 | | |
| 446 | R | 34.5 | Very low | 35.9 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | 49.3 | 121.2 | 147 | -105.2 | -67.1 | -168.9 | 163.8 | 4.9 | 122.6 | S448 | R446-S448 PolarHBondContact NH1-OG 3.06Š|
| 447 | P | 44.9 | Very low | 36 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -100.3 | 152.2 | 154.8 | 37.4 | -32.3 | 0 | 0 | 0 | 113.3 | | |
| 448 | S | 30.3 | Very low | 36.3 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | 162.7 | 163.5 | 160 | 47.1 | 0 | 0 | 0 | 0 | 111.5 | R446 | R446-S448 PolarHBondContact NH1-OG 3.06Š|
| 449 | P | 44.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | | | cis | -131.3 | 171.7 | -25.8 | 34.8 | -18.2 | 0 | 0 | 0 | 113.6 | | |
| 450 | M | 34.5 | Very low | 35.2 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 95% | 0.946 | 79% | 0.787 | S | S | * | * | | | trans | -128.3 | 118.1 | 143.9 | -122.8 | -175.3 | 81.3 | 0 | 0 | 109.3 | | |
| 451 | Q | 46.3 | Very low | 35 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -110.1 | 157.5 | 167.2 | -80.5 | 177.4 | -27.3 | 0 | 0 | 106.2 | | |
| 452 | T | 34.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | cis | -158.5 | 149.9 | -1.7 | 165.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 453 | I | 37.6 | Very low | 34.6 | Very low | 170 Ų | 170 | 147 Ų | 147 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | -162 | 136.1 | 131.3 | -101.4 | 155.1 | 0 | 0 | 0 | 108.5 | | |
| 454 | Q | 34 | Very low | 34.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -122.7 | 124.7 | 175.5 | 173.5 | 178.6 | -18.1 | 0 | 0 | 103.3 | | |
| 455 | E | 32.5 | Very low | 34.8 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | | -168.1 | 133.3 | 84.5 | 62.6 | -168.7 | 124.4 | 0 | 0 | 110.7 | | |
| 456 | N | 29.9 | Very low | 34.6 | Very low | 124 Ų | 124 | 146 Ų | 146 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | | | | 89.6 | 91.3 | 93.5 | -176.4 | 29.3 | 0 | 0 | 0 | 116.4 | | |
| 457 | K | 35.4 | Very low | 34.5 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | | -170.5 | 169.1 | 113.8 | -103.2 | 175.2 | -176.3 | 179.7 | 0 | 112.3 | | |
| 458 | Q | 34.9 | Very low | 33.9 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -104.3 | 142.1 | -165 | -54.7 | 156.1 | -65.3 | 0 | 0 | 113.2 | | |
| 459 | T | 34.2 | Very low | 34.1 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -152 | 133.6 | 136.9 | 36.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 460 | S | 31.1 | Very low | 33.5 | Very low | 103 Ų | 103 | 149.3 Ų | 149.3 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -110 | 128.1 | -175.5 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 461 | F | 31.2 | Very low | 33.8 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | | | trans | -142.9 | 123.3 | 152.9 | -81.2 | -68.7 | 0 | 0 | 0 | 110.2 | | |
| 462 | S | 28.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -86.5 | 127.4 | -178.3 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 463 | T | 29.3 | Very low | 34.4 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | trans | -99 | 110.5 | 163.6 | -47.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 464 | T | 32.1 | Very low | 34.6 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | -118.4 | 128.9 | 169 | 43 | 0 | 0 | 0 | 0 | 108.9 | | |
| 465 | G | 33.4 | Very low | 35.5 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | -126 | -174.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 466 | M | 33.3 | Very low | 36.4 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | 73.1 | 105.5 | 164.5 | -55 | -161 | 73.6 | 0 | 0 | 118.5 | | |
| 467 | S | 32 | Very low | 37.4 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | | 73.4 | 89.6 | 121.8 | -54 | 0 | 0 | 0 | 0 | 120.1 | | |
| 468 | H | 32.9 | Very low | 37.8 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | -137.7 | 114.6 | 138.7 | -79.2 | -72.1 | 0 | 0 | 0 | 110.3 | | |
| 469 | F | 33.9 | Very low | 38.2 | Very low | 222 Ų | 222 | 137.6 Ų | 137.6 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | | | trans | -108.6 | 105.9 | 162.7 | -99.5 | -80.2 | 0 | 0 | 0 | 108.4 | | |
| 470 | G | 32.6 | Very low | 38.3 | Very low | 55 Ų | 55 | 136.7 Ų | 136.7 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | | | trans | -90.7 | 164.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q472 | G470-Q472 PolarHBondContact O-N 2.85Š|
| 471 | S | 40.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -86.1 | 104.4 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 472 | Q | 43.2 | Very low | 38.8 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -100.4 | 134.3 | 172.9 | -96.6 | 41.2 | 63.2 | 0 | 0 | 111.2 | G470 | G470-Q472 PolarHBondContact O-N 2.85Š|
| 473 | T | 49.6 | Very low | 39.1 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 60% | 0.601 | 77% | 0.77 | S | S | * | * | | | trans | -95.5 | 150.2 | -171.2 | 43.1 | 0 | 0 | 0 | 0 | 112.7 | Q475 | T473-Q475 PolarHBondContact O-N 2.9Š|
| 474 | L | 42.8 | Very low | 39.2 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 24.7 | -173.3 | -67.9 | 167.9 | 0 | 0 | 0 | 116 | | |
| 475 | Q | 52.9 | Low | 39.3 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -34.4 | 176.8 | -94.3 | 68.3 | 46.4 | 0 | 0 | 113.7 | T473 L477 | T473-Q475 PolarHBondContact O-N 2.9Å; Q475-L477 VanDerWaalsContact C-N 3.31Å; Q475-L477 PolarHBondContact O-N 3.11Å |
| 476 | D | 50.7 | Low | 39.4 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -17.6 | -172.5 | -81.3 | -17.3 | 0 | 0 | 0 | 114.4 | | |
| 477 | L | 50.3 | Low | 39.4 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -0 | -178 | -87.7 | 163.3 | 0 | 0 | 0 | 114.7 | Q475 | Q475-L477 VanDerWaalsContact C-N 3.31Å; Q475-L477 PolarHBondContact O-N 3.11Å |
| 478 | L | 43.9 | Very low | 40 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -112.9 | -1.8 | -174.3 | -66.4 | 175 | 0 | 0 | 0 | 114.5 | | |
| 479 | N | 44.3 | Very low | 40.3 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -122.9 | 52 | -174.1 | -78.5 | -15 | 0 | 0 | 0 | 112.9 | | |
| 480 | S | 36.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | | | trans | -154.7 | 81.6 | 168.3 | -76.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 481 | D | 36.2 | Very low | 40.9 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | | | trans | -106.5 | 172.5 | 163.3 | -157 | -20.3 | 0 | 0 | 0 | 108.6 | | |
| 482 | S | 36 | Very low | 40.5 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | 79.5 | 93.7 | 173 | 162.8 | 0 | 0 | 0 | 0 | 119 | | |
| 483 | H | 34.1 | Very low | 39.9 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | | 97.1 | 131.3 | 103 | -147.3 | 37.5 | 0 | 0 | 0 | 121.8 | | |
| 484 | N | 31.5 | Very low | 39.1 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | | | trans | 98.2 | 118.1 | 147.1 | -73.2 | -27.8 | 0 | 0 | 0 | 124.9 | | |
| 485 | H | 34.5 | Very low | 39.7 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | 39 | 130.7 | 135.3 | -82.4 | -90.1 | 0 | 0 | 0 | 122.9 | D487 | H485-D487 IonicContact CE1-OD2 3.8Å; H485-D487 IonicContact ND1-OD2 3.04Å; H485-D487 PolarHBondContact ND1-OD2 2.73Å |
| 486 | S | 34.4 | Very low | 38.7 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | | -156.4 | 155 | 120.4 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 487 | D | 35.1 | Very low | 38 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | | | trans | -115 | 150.6 | -161.7 | -79.2 | -93.1 | 0 | 0 | 0 | 114.9 | H485 | H485-D487 IonicContact CE1-OD2 3.8Å; H485-D487 IonicContact ND1-OD2 3.04Å; H485-D487 PolarHBondContact ND1-OD2 2.73Å |
| 488 | V | 44 | Very low | 37.2 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | | | trans | 24.1 | 131.8 | 142.9 | -173.9 | 0 | 0 | 0 | 0 | 120.3 | M490 | V488-M490 HydrophobicContact CG1-CG 4.02Š|
| 489 | M | 38.8 | Very low | 36.7 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 94% | 0.941 | 78% | 0.777 | S | S | * | * | | | trans | -133.6 | 150.1 | 139.9 | -85.4 | -62.1 | -80.4 | 0 | 0 | 111.5 | | |
| 490 | M | 41.7 | Very low | 36 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -113.1 | 149.5 | -165.2 | -76.7 | -101 | -157.1 | 0 | 0 | 114 | V488 | V488-M490 HydrophobicContact CG1-CG 4.02Š|
| 491 | T | 37.5 | Very low | 35.6 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | -140.9 | 90.9 | 151.2 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 492 | Q | 31.4 | Very low | 35.4 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | 27.2 | 118.8 | 138 | -55.8 | 178.2 | 1 | 0 | 0 | 120.4 | | |
| 493 | S | 32.4 | Very low | 35 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | | | | -179.1 | 151 | 97.6 | 38.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 494 | D | 31.9 | Very low | 34.9 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -147.8 | 169.8 | 179.7 | -158.6 | 43.7 | 0 | 0 | 0 | 104.9 | | |
| 495 | P | 56 | Low | 35.1 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | | | cis | -142.5 | -163.8 | 16.3 | 42.9 | -21.3 | 0 | 0 | 0 | 116.6 | | |
| 496 | L | 32 | Very low | 35 | Very low | 145 Ų | 145 | 136 Ų | 136 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | trans | 111.5 | 134 | 162.6 | -62.5 | 165.9 | 0 | 0 | 0 | 114.6 | | |
| 497 | M | 35.6 | Very low | 34.9 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | cis | -158.1 | 150 | -10.2 | -175.9 | 72.1 | 105.3 | 0 | 0 | 109.4 | | |
| 498 | S | 33.6 | Very low | 34.7 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -61.6 | 150.5 | -178.6 | -40.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 499 | Q | 33.1 | Very low | 34 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | | -165.5 | 137.7 | 110.3 | -114.6 | -174.5 | 106.9 | 0 | 0 | 118 | | |
| 500 | A | 29.5 | Very low | 33.6 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 40.7 | 116.1 | 136.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 501 | S | 28.9 | Very low | 33.4 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -54.1 | 156.2 | 153.3 | -24.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 502 | A | 31.1 | Very low | 33.7 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -168.7 | 119.7 | 130.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 503 | V | 27.3 | Very low | 33.8 | Very low | 145 Ų | 145 | 137 Ų | 137 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | | 35.9 | 118.2 | 128.8 | -174.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 504 | A | 33 | Very low | 33.8 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | | | | -163.8 | 143.8 | 121.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 505 | I | 36.3 | Very low | 33.8 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | | | trans | -117.6 | 140.1 | 168.2 | -59.9 | 172.2 | 0 | 0 | 0 | 106.7 | | |
| 506 | I | 31.3 | Very low | 32.8 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | 172 | 146.6 | 137.7 | -89.7 | 154.6 | 0 | 0 | 0 | 112.1 | | |
| 507 | S | 31.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -44.1 | -174.7 | 174.2 | -166.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 508 | Q | 32.5 | Very low | 32.6 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 101.8 | 129.7 | 176.4 | -52.5 | -74.6 | -6.1 | 0 | 0 | 113.4 | | |
| 509 | N | 29.2 | Very low | 32.6 | Very low | 125 Ų | 125 | 144 Ų | 144 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | cis | 109.4 | 124.5 | 16 | -178.4 | 23.1 | 0 | 0 | 0 | 114 | | |
| 510 | S | 30.5 | Very low | 33.9 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 48% | 0.476 | 77% | 0.765 | S | S | . | * | | | trans | 76.8 | 99.6 | 155.5 | -79.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 511 | R | 37.4 | Very low | 34.2 | Very low | 218 Ų | 218 | 141.2 Ų | 141.2 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | | | | 82.1 | 162.7 | 119.8 | -65.9 | 171.8 | 177.5 | -96 | 0.1 | 120.7 | | |
| 512 | R | 42.7 | Very low | 34.8 | Very low | 227 Ų | 227 | 142.5 Ų | 142.5 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | 68.8 | 142.8 | 139 | 61.5 | -178.9 | 159.8 | 150.9 | 3.7 | 119.7 | | |
| 513 | N | 32.7 | Very low | 34.8 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | cis | -176.7 | -175.1 | -15.6 | -176.4 | 20.7 | 0 | 0 | 0 | 107.8 | | |
| 514 | V | 33.8 | Very low | 35.1 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | trans | 122.6 | 94.2 | 145 | -176.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 515 | M | 32.2 | Very low | 34.9 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | | 61.5 | 156.3 | 125.6 | -61.2 | -173.2 | 169.4 | 0 | 0 | 125.8 | | |
| 516 | V | 33.8 | Very low | 34.7 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | 98.2 | 101.9 | 158.8 | -170.2 | 0 | 0 | 0 | 0 | 114 | | |
| 517 | R | 32.7 | Very low | 34.8 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | cis | 84.8 | 104.7 | 39 | -166 | -156.5 | -160.1 | -177 | 6.5 | 114.1 | | |
| 518 | N | 30.5 | Very low | 34.8 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | | -176.8 | 144.1 | 126 | -90.1 | -13.7 | 0 | 0 | 0 | 113.3 | | |
| 519 | D | 34.3 | Very low | 34.8 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | -104 | 176.9 | 166.2 | -137 | -24 | 0 | 0 | 0 | 107 | | |
| 520 | P | 59.4 | Low | 35.1 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | | | | -165.8 | -168.8 | 57.3 | 43.2 | -17.9 | 0 | 0 | 0 | 119.8 | | |
| 521 | V | 37.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | 72.6 | 148.6 | 151 | -65.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 522 | M | 41.2 | Very low | 35 | Very low | 149 Ų | 149 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | cis | -162.5 | 160.3 | 0.6 | -125.3 | -26.4 | 179.5 | 0 | 0 | 113.6 | | |
| 523 | T | 31.5 | Very low | 34.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | 65.6 | 144.7 | 137.7 | -68 | 0 | 0 | 0 | 0 | 122.2 | | |
| 524 | F | 32.4 | Very low | 34.5 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | cis | -179 | 163.7 | -26.3 | -135.9 | -84 | 0 | 0 | 0 | 109.9 | | |
| 525 | G | 29.9 | Very low | 34.7 | Very low | 58 Ų | 58 | 133.6 Ų | 133.6 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | | | trans | 105.7 | 116.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 526 | T | 31.6 | Very low | 34.7 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | | | cis | 70 | 134.1 | 43.9 | 81.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 527 | T | 34.4 | Very low | 34.6 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | | | cis | -144.9 | 156.3 | 16.9 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 528 | G | 31.6 | Very low | 34.5 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | | 78.9 | 139.4 | 81.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 529 | G | 31.2 | Very low | 34.6 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | cis | 166.8 | -178.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 530 | L | 34.9 | Very low | 34.3 | Very low | 163 Ų | 163 | 128 Ų | 128 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | | | trans | 77.5 | 151.4 | 165.5 | -51.2 | 171.2 | 0 | 0 | 0 | 118 | | |
| 531 | Q | 33.5 | Very low | 33 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | cis | -163 | 150.1 | -10 | -135.5 | -171.4 | 83.1 | 0 | 0 | 115.6 | | |
| 532 | S | 33.5 | Very low | 32.7 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | trans | 62.1 | 156.8 | 154.7 | 74.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 533 | S | 33.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | | | cis | -154.5 | -171.7 | -0.2 | -129.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 534 | H | 32.2 | Very low | 32.3 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | | | cis | -144.5 | -165.1 | 5 | -142.7 | -147.6 | 0 | 0 | 0 | 107.8 | | |
| 535 | R | 37 | Very low | 32.3 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | | | cis | 75.7 | 140 | 22.5 | -106.6 | 179.3 | 173 | -123.5 | -10.8 | 116.7 | | |
| 536 | E | 31.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 53% | 0.528 | 73% | 0.728 | S | S | . | * | | | cis | -159.4 | 127.3 | 9.8 | -160.7 | 147.7 | -171.3 | 0 | 0 | 111.1 | | |
| 537 | M | 32.2 | Very low | 32.3 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | | 67.6 | 139.4 | 89.2 | -155.1 | -170 | -60.6 | 0 | 0 | 118.9 | | |
| 538 | L | 30.2 | Very low | 32.1 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | | | trans | 156.6 | 158 | 144.1 | -82.1 | 167.3 | 0 | 0 | 0 | 110.5 | | |
| 539 | Q | 32.3 | Very low | 32.1 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | | | cis | -167.4 | 176.5 | -39.3 | -156.4 | 168.3 | 39.4 | 0 | 0 | 111.8 | | |
| 540 | T | 29.3 | Very low | 32 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | 90.6 | 162.8 | 159.8 | 75.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 541 | N | 31.8 | Very low | 32 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | | -166 | 155.9 | -56.9 | -155.3 | 5.1 | 0 | 0 | 0 | 113.5 | | |
| 542 | N | 31.8 | Very low | 32 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | | | trans | 61.8 | 157.3 | 163.5 | -77.4 | -39.3 | 0 | 0 | 0 | 120.6 | | |
| 543 | H | 34.4 | Very low | 31.7 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | | | cis | -119.2 | -105.7 | 0.3 | -175 | 22.9 | 0 | 0 | 0 | 114 | Q545 | H543-Q545 PolarHBondContact NE2-NE2 3.01Š|
| 544 | N | 29.3 | Very low | 31.5 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | cis | -153.4 | -179.1 | -1.1 | -159.9 | 11.4 | 0 | 0 | 0 | 112.9 | | |
| 545 | Q | 31.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 140 Ų | 140 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | | | trans | -134.2 | 174.9 | -171.6 | -81.2 | -174.4 | 70.8 | 0 | 0 | 113.2 | H543 | H543-Q545 PolarHBondContact NE2-NE2 3.01Š|
| 546 | S | 31.9 | Very low | 31.3 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | | | cis | -177.7 | 159.5 | -32.5 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 547 | T | 29.2 | Very low | 31.3 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | 164.9 | 149.2 | 148.5 | -75.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 548 | M | 31.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | -135.1 | 166.1 | -176.6 | -57.7 | -154.1 | -50.9 | 0 | 0 | 115.1 | | |
| 549 | R | 32 | Very low | 31.2 | Very low | 238 Ų | 238 | 136.1 Ų | 136.1 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | | | trans | -169.5 | 125.2 | 145.5 | -92 | 155.1 | -151.8 | -141.6 | 6.5 | 105.7 | | |
| 550 | S | 29.2 | Very low | 31.2 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | | | cis | 65.1 | 131.9 | 48.2 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 551 | L | 33.9 | Very low | 31.3 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | | | cis | -134.1 | 154.5 | 28.1 | -62.7 | 157.1 | 0 | 0 | 0 | 110.3 | | |
| 552 | N | 32.5 | Very low | 31.4 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | | | cis | 102.4 | 131.1 | 33.4 | -104.9 | 31.6 | 0 | 0 | 0 | 114.9 | | |
| 553 | G | 29.1 | Very low | 31.5 | Very low | 60 Ų | 60 | 133.8 Ų | 133.8 | 62% | 0.619 | 74% | 0.736 | S | S | * | * | | | trans | 127.5 | 99.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 554 | D | 28.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | | 78.7 | 129.5 | 72.9 | -77.3 | -51.9 | 0 | 0 | 0 | 113 | | |
| 555 | L | 35.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | cis | -155.1 | 156.6 | 19.2 | -101.5 | 147.5 | 0 | 0 | 0 | 113.1 | | |
| 556 | N | 30.3 | Very low | 31.8 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | 21 | 155.5 | 137.6 | -79.1 | -26.1 | 0 | 0 | 0 | 123 | | |
| 557 | L | 31.1 | Very low | 31.9 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | | | cis | -175.8 | 173.8 | -2.1 | 170.4 | 62.4 | 0 | 0 | 0 | 109.8 | | |
| 558 | A | 29.5 | Very low | 32.1 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | | | trans | 81.5 | 136.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 559 | N | 30.8 | Very low | 32.2 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | | | | 67.5 | 137.4 | 52.9 | -76.6 | 34.1 | 0 | 0 | 0 | 113 | | |
| 560 | E | 31.2 | Very low | 32.1 | Very low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | cis | -153.4 | 138.2 | -0.1 | -115.4 | 157.9 | 136.3 | 0 | 0 | 108.4 | | |
| 561 | A | 32.2 | Very low | 32.3 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | | | | 64.5 | 137.7 | 102.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 562 | N | 32.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | | | trans | 69.7 | 153.4 | 166.1 | -59.4 | -44.2 | 0 | 0 | 0 | 116.8 | | |
| 563 | T | 35 | Very low | 32.2 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | | | cis | -156.8 | 131.1 | -8.6 | 11.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 564 | L | 33.6 | Very low | 32.4 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | | | | 75.2 | 133.3 | 95.1 | -165 | 85.1 | 0 | 0 | 0 | 116.3 | | |
| 565 | A | 35.4 | Very low | 33.1 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | | | trans | 68.3 | 160.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 566 | N | 33.2 | Very low | 32.8 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | | | cis | -164.9 | 167.3 | -7.4 | -126.1 | -22.4 | 0 | 0 | 0 | 105.3 | | |
| 567 | A | 34 | Very low | 32.8 | Very low | 63 Ų | 63 | 127.5 Ų | 127.5 | 52% | 0.521 | 73% | 0.732 | S | S | . | * | | | cis | -162.7 | 169.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 568 | K | 32.4 | Very low | 32.7 | Very low | 168 Ų | 168 | 123.6 Ų | 123.6 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | | | trans | 57.6 | 126.3 | 135.3 | -77.1 | 165.7 | 156.8 | -101.3 | 0 | 122.3 | | |
| 569 | Q | 34.3 | Very low | 32.8 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | | | | 76.7 | 149.4 | 126 | -69.2 | 176.6 | -86.4 | 0 | 0 | 118.9 | | |
| 570 | Q | 30.4 | Very low | 32.8 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | cis | -174.2 | 174.6 | -12.8 | 179.9 | 179.5 | -15.9 | 0 | 0 | 108.4 | | |
| 571 | L | 33.6 | Very low | 33.1 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | | | trans | 75.9 | 165.6 | 167.9 | -48.1 | 175.1 | 0 | 0 | 0 | 115.7 | | |
| 572 | L | 32.1 | Very low | 33.3 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | | -171.7 | 135.1 | -61 | -108.2 | 173.7 | 0 | 0 | 0 | 107.7 | | |
| 573 | L | 31.7 | Very low | 33.4 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | | | trans | 63.8 | 143.9 | 165.2 | -99.1 | 66.5 | 0 | 0 | 0 | 121.4 | | |
| 574 | S | 32.5 | Very low | 33.2 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -75.9 | 175 | 170.7 | -32.3 | 0 | 0 | 0 | 0 | 112 | | |
| 575 | P | 44.4 | Very low | 33.1 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | | | | -157.4 | 178.9 | 77 | 43.5 | -23.8 | 0 | 0 | 0 | 117.4 | | |
| 576 | I | 29.3 | Very low | 32.9 | Very low | 165 Ų | 165 | 129 Ų | 129 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | 54.2 | 135.4 | 148.3 | -68.6 | 156.2 | 0 | 0 | 0 | 118.9 | | |
| 577 | G | 28.7 | Very low | 32.7 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | cis | 136.1 | 136.5 | 0.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 578 | G | 28.8 | Very low | 32.6 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | trans | 143.5 | 96.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 579 | N | 32.3 | Very low | 33.1 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | | | trans | 53.4 | 122.9 | 136.6 | -57.3 | -4.9 | 0 | 0 | 0 | 123.6 | | |
| 580 | G | 31.6 | Very low | 33 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 121.8 | 144.2 | 135 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 581 | T | 35.8 | Very low | 33.1 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | cis | -155.4 | 156.6 | -11.9 | 44.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 582 | S | 37.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | 59 | 113.2 | 152.1 | -56.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 583 | S | 34.4 | Very low | 32.9 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | | -176.3 | 106.4 | 99.5 | -176.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 584 | M | 32.2 | Very low | 32.8 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | 28.5 | 110.8 | 141.7 | -48 | -62.8 | -79.1 | 0 | 0 | 118.3 | | |
| 585 | Q | 30.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | | 59.6 | 123.6 | 69.6 | -68.5 | -165.9 | -81 | 0 | 0 | 116.6 | D587 | Q585-D587 PolarHBondContact NE2-OD2 2.64Å; Q585-D587 VanDerWaalsContact NE2-OD2 3.12Å |
| 586 | I | 30.9 | Very low | 32.9 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 89% | 0.892 | 78% | 0.775 | S | S | * | * | | | | -134.1 | 126.4 | 128.5 | -61.7 | -175.3 | 0 | 0 | 0 | 107.6 | | |
| 587 | D | 30.1 | Very low | 33.2 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | trans | -119.4 | 173.7 | 172.5 | -87.7 | -66.9 | 0 | 0 | 0 | 109.9 | Q585 | Q585-D587 PolarHBondContact NE2-OD2 2.64Å; Q585-D587 VanDerWaalsContact NE2-OD2 3.12Å |
| 588 | T | 30.1 | Very low | 33.2 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | 102.6 | 136.8 | 152.3 | -36.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 589 | S | 43.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -106.2 | 154.5 | -169.5 | 50.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 590 | I | 33.5 | Very low | 33 | Very low | 166 Ų | 166 | 123.4 Ų | 123.4 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -149.7 | 137.2 | -177.5 | -71 | -179.3 | 0 | 0 | 0 | 106.8 | | |
| 591 | F | 32.1 | Very low | 32.9 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | cis | -160.7 | -173 | -14.1 | -172.2 | -108.2 | 0 | 0 | 0 | 109.3 | | |
| 592 | L | 32.9 | Very low | 32.5 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | trans | -68.6 | 141.7 | -178 | -78.5 | 63.1 | 0 | 0 | 0 | 114.8 | | |
| 593 | N | 28.2 | Very low | 32.4 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | | -174.6 | 147.8 | 98.7 | -105.1 | -22.9 | 0 | 0 | 0 | 114.8 | | |
| 594 | G | 30.3 | Very low | 32.3 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | -97.1 | -165.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 595 | P | 44.6 | Very low | 32.5 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | cis | -143.5 | 173.8 | 39.7 | 42.7 | -24.9 | 0 | 0 | 0 | 117.5 | | |
| 596 | A | 34.4 | Very low | 32.9 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | | | trans | 43.6 | 138.2 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 597 | S | 34 | Very low | 33.3 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | cis | -167.2 | 174.1 | 6.9 | -128.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 598 | S | 29.1 | Very low | 34.3 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | 77.1 | 140.3 | 165.1 | 78.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 599 | S | 29.7 | Very low | 34.9 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | cis | -164.1 | 163 | -21.3 | -160.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 600 | G | 28 | Very low | 35 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 99.5 | 112.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 601 | G | 29.6 | Very low | 35.4 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | 152 | 88.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 602 | C | 27.7 | Very low | 36.2 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | | | trans | -71.6 | 146.5 | 176.6 | -61 | 0 | 0 | 0 | 0 | 111.5 | | |
| 603 | Q | 35.2 | Very low | 36.8 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -108.1 | 125.2 | 170.1 | -76.4 | -73.8 | -29.5 | 0 | 0 | 107.9 | | |
| 604 | D | 32 | Very low | 37.7 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -137.3 | 154.1 | 170.1 | -127.9 | -41 | 0 | 0 | 0 | 112.5 | | |
| 605 | R | 35.7 | Very low | 38.5 | Very low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 128.8 | -153.5 | -173.8 | 179.8 | -66.9 | 173.4 | -1.3 | 113.4 | | |
| 606 | F | 39.1 | Very low | 38.7 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139 | 166.3 | -81.1 | -87.4 | 0 | 0 | 0 | 111.3 | T608 | F606-T608 PolarHBondContact O-N 3.48Š|
| 607 | P | 39.1 | Very low | 39.3 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 124.4 | 169.2 | -16.3 | 30.8 | 0 | 0 | 0 | 111.3 | D609 | P607-D609 PolarHBondContact O-N 3.09Š|
| 608 | T | 51.3 | Low | 40.1 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | | | trans | -93.8 | 74.7 | 171.1 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | F606 | F606-T608 PolarHBondContact O-N 3.48Š|
| 609 | D | 42.7 | Very low | 41 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -151.5 | 60.7 | 174.5 | -151.1 | 7 | 0 | 0 | 0 | 112.8 | P607 | P607-D609 PolarHBondContact O-N 3.09Š|
| 610 | L | 46.1 | Very low | 41.9 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -141.5 | 98.6 | 158.7 | -88.5 | 179.6 | 0 | 0 | 0 | 106.9 | | |
| 611 | D | 41.8 | Very low | 42.9 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | | | trans | -68.6 | 138.8 | -172.8 | -158.1 | -3.1 | 0 | 0 | 0 | 111.9 | D613 | D611-D613 PolarHBondContact O-N 3.18Š|
| 612 | L | 48.6 | Very low | 43.8 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -86.2 | -8.3 | -164.7 | -135.9 | 73.7 | 0 | 0 | 0 | 113.7 | M614 | L612-M614 PolarHBondContact O-N 2.81Š|
| 613 | D | 45.7 | Very low | 45 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -78.7 | -14 | -171.9 | -79.5 | -2.5 | 0 | 0 | 0 | 114.5 | D611 F615 N616 | D611-D613 PolarHBondContact O-N 3.18Å; D613-F615 PolarHBondContact O-N 3.27Å; D613-N616 PolarHBondContact O-N 2.82Å |
| 614 | M | 47.8 | Very low | 46 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 77% | 0.768 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -56.3 | -24.6 | 175.6 | -170.8 | 62.7 | 69.2 | 0 | 0 | 113.3 | L612 | L612-M614 PolarHBondContact O-N 2.81Š|
| 615 | F | 46.7 | Very low | 47.2 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -97.7 | -2 | -175.7 | -69.9 | -77.7 | 0 | 0 | 0 | 115.2 | D613 | D613-F615 PolarHBondContact O-N 3.27Š|
| 616 | N | 49.6 | Very low | 48.3 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -114.8 | 2.1 | -173.5 | -79.2 | -51.1 | 0 | 0 | 0 | 115.4 | D613 | D613-N616 PolarHBondContact O-N 2.82Š|
| 617 | S | 46.3 | Very low | 49.3 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -118.3 | 127.5 | 172.6 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | S619 | S617-S619 PolarHBondContact O-N 3.09Š|
| 618 | G | 51.3 | Low | 50.2 | Low | 94 Ų | 94 | 127.4 Ų | 127.4 | 97% | 0.969 | 71% | 0.709 | S | S | * | * | | | trans | -82.7 | 79.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 619 | S | 46.9 | Very low | 50.5 | Low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | | | trans | -137.5 | 80.6 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | S617 | S617-S619 PolarHBondContact O-N 3.09Š|
| 620 | L | 48.9 | Very low | 51 | Low | 177 Ų | 177 | 126.3 Ų | 126.3 | 93% | 0.927 | 69% | 0.685 | S | S | * | * | | | trans | -100.5 | 49.1 | 167 | -68.9 | 178.4 | 0 | 0 | 0 | 111 | C622 | L620-C622 PolarHBondContact O-N 2.99Š|
| 621 | E | 48.6 | Very low | 51.6 | Low | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 68% | 0.675 | S | S | * | * | | | trans | -79.8 | 109.8 | 165.6 | -155.8 | 76.5 | -100.3 | 0 | 0 | 107.4 | D623 | E621-D623 PolarHBondContact O-N 3.15Å; E621-D623 VanDerWaalsContact O-N 3.12Å |
| 622 | C | 49.1 | Very low | 52.1 | Low | 116 Ų | 116 | 123.5 Ų | 123.5 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | | | trans | -77.3 | 97.9 | 176.4 | -70.4 | 0 | 0 | 0 | 0 | 109.4 | L620 M624 | L620-C622 PolarHBondContact O-N 2.99Å; C622-M624 VanDerWaalsContact C-N 3.34Å; C622-M624 PolarHBondContact O-N 3.05Å |
| 623 | D | 53 | Low | 52.3 | Low | 100 Ų | 100 | 124 Ų | 124 | 54% | 0.535 | 67% | 0.671 | S | S | . | * | | | trans | -64.2 | 91.4 | 175.3 | -177.6 | 2.7 | 0 | 0 | 0 | 111.3 | E621 E625 S626 | E621-D623 PolarHBondContact O-N 3.15Å; E621-D623 VanDerWaalsContact O-N 3.12Å; D623-E625 PolarHBondContact O-N 2.83Å; D623-E625 WeakPolarHBondContact OD1-CB 3.33Å; D623-E625 PolarHBondContact OD1-N 3.21Å; D623-S626 PolarHBondContact O-N 3.43Å; D623-S626 PolarHBondContact OD1-N 3.46Å; D623-S626 VanDerWaalsContact OD1-N 3.17Å |
| 624 | M | 56.2 | Low | 52.4 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.1 | -26.8 | 177.3 | -162.8 | -165.2 | -55.2 | 0 | 0 | 111.9 | C622 I627 I628 | C622-M624 VanDerWaalsContact C-N 3.34Å; C622-M624 PolarHBondContact O-N 3.05Å; M624-I627 PolarHBondContact O-N 3.27Å; M624-I628 HydrophobicContact CG-CD1 3.88Å; M624-I628 HydrophobicContact CG-CG1 4.42Å; M624-I628 VanDerWaalsContact O-CG1 3.3Å; M624-I628 WeakPolarHBondContact O-CG1 3.49Å; M624-I628 PolarHBondContact O-N 3.13Å; M624-I628 HydrophobicContact SD-CD1 3.98Å |
| 625 | E | 56.9 | Low | 52.5 | Low | 113 Ų | 113 | 121 Ų | 121 | 53% | 0.528 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -71 | -34.3 | -179.9 | -64 | -162.6 | 179.5 | 0 | 0 | 111.7 | D623 I627 I628 R629 | D623-E625 PolarHBondContact O-N 2.83Å; D623-E625 WeakPolarHBondContact OD1-CB 3.33Å; D623-E625 PolarHBondContact OD1-N 3.21Å; E625-I627 VanDerWaalsContact C-N 3.35Å; E625-I628 PolarHBondContact O-N 3Å; E625-R629 VanDerWaalsContact O-CB 3.3Å; E625-R629 WeakPolarHBondContact O-CB 3.47Å; E625-R629 WeakPolarHBondContact O-CD 3.32Å; E625-R629 WeakPolarHBondContact O-CG 3.24Å; E625-R629 PolarHBondContact O-N 3.43Å; E625-R629 IonicContact OE2-CZ 2.73Å; E625-R629 IonicContact OE2-NE 2.66Å; E625-R629 IonicContact OE2-NH2 2.87Å; E625-R629 PolarHBondContact OE2-NH2 2.85Å |
| 626 | S | 58.8 | Low | 52.5 | Low | 70 Ų | 70 | 120.1 Ų | 120.1 | 49% | 0.49 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -60.1 | -44.5 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | D623 R629 N630 | D623-S626 PolarHBondContact O-N 3.43Å; D623-S626 PolarHBondContact OD1-N 3.46Å; D623-S626 VanDerWaalsContact OD1-N 3.17Å; S626-R629 PolarHBondContact O-N 3.27Å; S626-N630 WeakPolarHBondContact O-CB 3.22Å; S626-N630 PolarHBondContact O-N 3.41Å |
| 627 | I | 59.3 | Low | 52.7 | Low | 103 Ų | 103 | 116.4 Ų | 116.4 | 53% | 0.528 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.8 | -47.5 | 176.5 | -59.3 | 172.9 | 0 | 0 | 0 | 110.7 | M624 E625 R629 N630 D631 | M624-I627 PolarHBondContact O-N 3.27Å; E625-I627 VanDerWaalsContact C-N 3.35Å; I627-R629 PolarHBondContact O-N 3.24Å; I627-N630 PolarHBondContact O-N 3.46Å; I627-D631 PolarHBondContact O-N 3.39Å |
| 628 | I | 59.3 | Low | 52.8 | Low | 88 Ų | 88 | 118.8 Ų | 118.8 | 45% | 0.451 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -64 | -40.7 | -179.6 | -68.5 | 165.7 | 0 | 0 | 0 | 111.4 | M624 E625 L632 | M624-I628 HydrophobicContact CG-CD1 3.88Å; M624-I628 HydrophobicContact CG-CG1 4.42Å; M624-I628 VanDerWaalsContact O-CG1 3.3Å; M624-I628 WeakPolarHBondContact O-CG1 3.49Å; M624-I628 PolarHBondContact O-N 3.13Å; M624-I628 HydrophobicContact SD-CD1 3.98Å; E625-I628 PolarHBondContact O-N 3Å; I628-L632 HydrophobicContact CG2-CD2 4.36Å; I628-L632 WeakPolarHBondContact O-CB 3.44Å; I628-L632 PolarHBondContact O-N 3.1Å |
| 629 | R | 57.3 | Low | 52.1 | Low | 162 Ų | 162 | 121.1 Ų | 121.1 | 61% | 0.611 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68 | -35.9 | 178.7 | -69.5 | 163.5 | -165.2 | -109.9 | 10 | 112.2 | E625 S626 I627 M633 | E625-R629 VanDerWaalsContact O-CB 3.3Å; E625-R629 WeakPolarHBondContact O-CB 3.47Å; E625-R629 WeakPolarHBondContact O-CD 3.32Å; E625-R629 WeakPolarHBondContact O-CG 3.24Å; E625-R629 PolarHBondContact O-N 3.43Å; E625-R629 IonicContact OE2-CZ 2.73Å; E625-R629 IonicContact OE2-NE 2.66Å; E625-R629 IonicContact OE2-NH2 2.87Å; E625-R629 PolarHBondContact OE2-NH2 2.85Å; S626-R629 PolarHBondContact O-N 3.27Å; I627-R629 PolarHBondContact O-N 3.24Å; R629-M633 WeakPolarHBondContact O-CG 3.2Å |
| 630 | N | 53.8 | Low | 51.7 | Low | 105 Ų | 105 | 124.3 Ų | 124.3 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -78.8 | -48.4 | -178 | -163.5 | 96.1 | 0 | 0 | 0 | 112.4 | S626 I627 | S626-N630 WeakPolarHBondContact O-CB 3.22Å; S626-N630 PolarHBondContact O-N 3.41Å; I627-N630 PolarHBondContact O-N 3.46Å |
| 631 | D | 57.3 | Low | 51.2 | Low | 124 Ų | 124 | 122 Ų | 122 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -82.5 | -14.1 | -173.1 | -73.7 | 5.3 | 0 | 0 | 0 | 113.9 | I627 | I627-D631 PolarHBondContact O-N 3.39Å |
| 632 | L | 52 | Low | 50.8 | Low | 120 Ų | 120 | 122.8 Ų | 122.8 | 63% | 0.628 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -100 | -23.8 | -177.9 | -167.4 | 58.5 | 0 | 0 | 0 | 114.3 | I628 | I628-L632 HydrophobicContact CG2-CD2 4.36Å; I628-L632 WeakPolarHBondContact O-CB 3.44Å; I628-L632 PolarHBondContact O-N 3.1Å |
| 633 | M | 53.8 | Low | 50.5 | Low | 142 Ų | 142 | 125.8 Ų | 125.8 | 70% | 0.7 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.2 | -17.6 | -179.1 | -68.8 | -158.5 | 70.4 | 0 | 0 | 114.1 | R629 A635 | R629-M633 WeakPolarHBondContact O-CG 3.2Å; M633-A635 PolarHBondContact O-N 3.17Å |
| 634 | D | 47.5 | Very low | 49.7 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 8.8 | 176.6 | -76.6 | -7.3 | 0 | 0 | 0 | 113.5 | | |
| 635 | A | 49 | Very low | 49 | Very low | 63 Ų | 63 | 128.3 Ų | 128.3 | 52% | 0.521 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97 | -13.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M633 G637 | M633-A635 PolarHBondContact O-N 3.17Å; A635-G637 PolarHBondContact O-N 2.99Å |
| 636 | D | 48.4 | Very low | 48.2 | Very low | 165 Ų | 165 | 128 Ų | 128 | 88% | 0.882 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 50.9 | -175.6 | -77.4 | -26 | 0 | 0 | 0 | 113.2 | | |
| 637 | G | 52.8 | Low | 47.2 | Very low | 64 Ų | 64 | 131.1 Ų | 131.1 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | 9.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | A635 | A635-G637 PolarHBondContact O-N 2.99Š|
| 638 | L | 49 | Very low | 46.1 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | trans | -124.2 | 87.9 | -179 | -68 | 177.7 | 0 | 0 | 0 | 112.9 | F640 | L638-F640 HydrophobicContact CB-CD2 4.35Å; L638-F640 HydrophobicContact CB-CE2 4.02Å; L638-F640 HydrophobicContact CD1-CE2 4.49Å; L638-F640 PolarHBondContact O-N 3.12Å |
| 639 | D | 36.2 | Very low | 45.1 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | trans | -66.6 | 110.8 | 166.8 | 176.4 | 15.7 | 0 | 0 | 0 | 110.7 | N641 | D639-N641 PolarHBondContact O-N 3.12Å; D639-N641 PolarHBondContact OD1-N 3.04Å |
| 640 | F | 38.8 | Very low | 43.8 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -94 | 74.7 | 172.4 | -83.9 | -83.9 | 0 | 0 | 0 | 111 | L638 F642 | L638-F640 HydrophobicContact CB-CD2 4.35Å; L638-F640 HydrophobicContact CB-CE2 4.02Å; L638-F640 HydrophobicContact CD1-CE2 4.49Å; L638-F640 PolarHBondContact O-N 3.12Å; F640-F642 PolarHBondContact O-N 3.46Å |
| 641 | N | 38.1 | Very low | 42.9 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | | | trans | -59.5 | 120.5 | 169.3 | -162.5 | -63 | 0 | 0 | 0 | 110.3 | D639 | D639-N641 PolarHBondContact O-N 3.12Å; D639-N641 PolarHBondContact OD1-N 3.04Å |
| 642 | F | 39.7 | Very low | 41.7 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | | | trans | -135.6 | 53.3 | -168.8 | -141.5 | -77 | 0 | 0 | 0 | 113.7 | F640 | F640-F642 PolarHBondContact O-N 3.46Š|
| 643 | E | 43 | Very low | 40.7 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -122 | 162.1 | 160.6 | -77.3 | -150.4 | 120.3 | 0 | 0 | 112.2 | | |
| 644 | S | 37.7 | Very low | 39.6 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | 68.8 | 72.6 | 175.7 | -156.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 645 | L | 39.8 | Very low | 38.8 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | | | trans | -151.3 | 33.4 | 142 | -117.3 | 168.1 | 0 | 0 | 0 | 113.7 | N647 | L645-N647 PolarHBondContact O-N 2.82Å; L645-N647 VanDerWaalsContact O-N 3.09Å |
| 646 | A | 40.8 | Very low | 38 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | | | trans | -83.8 | 45.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 647 | N | 38.6 | Very low | 37.2 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | | | trans | -158.9 | 117.3 | 168.8 | -151.8 | -5.3 | 0 | 0 | 0 | 114 | L645 | L645-N647 PolarHBondContact O-N 2.82Å; L645-N647 VanDerWaalsContact O-N 3.09Å |
| 648 | M | 34.9 | Very low | 36.3 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | | | trans | 171.2 | 102.2 | 141.8 | -91.4 | -95.2 | 68.3 | 0 | 0 | 109.5 | | |
| 649 | N | 38.7 | Very low | 35.6 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | | | trans | -68.7 | 136.8 | 168.7 | -83.8 | -18.5 | 0 | 0 | 0 | 110.6 | | |
| 650 | G | 30.3 | Very low | 35.5 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | | | trans | -147.1 | 73.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 651 | V | 35.4 | Very low | 35.3 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | -72.6 | 134.9 | 177.4 | -92.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 652 | S | 31.1 | Very low | 35.1 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | | | trans | -158.1 | 135.8 | 153.5 | 41.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 653 | N | 30.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -93.3 | 141.9 | -174.6 | -70.3 | -48.4 | 0 | 0 | 0 | 111.8 | | |
| 654 | F | 31.3 | Very low | 35.2 | Very low | 209 Ų | 209 | 144.6 Ų | 144.6 | 92% | 0.917 | 85% | 0.854 | S | S | * | * | | | trans | -102.6 | 114 | 161.1 | -92.2 | -84.8 | 0 | 0 | 0 | 110.6 | | |
| 655 | T | 31.7 | Very low | 35.1 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 85% | 0.847 | 86% | 0.855 | S | S | * | * | | | trans | -77.4 | 135.4 | 173.3 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 656 | S | 31.2 | Very low | 34.8 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 85% | 0.854 | S | S | * | * | | | trans | -121.2 | 122.3 | -179.9 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | K658 | S656-K658 PolarHBondContact O-N 3.33Š|
| 657 | T | 31.2 | Very low | 34.5 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | | | trans | -74.3 | 111.5 | -172.9 | -33.1 | 0 | 0 | 0 | 0 | 111.2 | Q659 | T657-Q659 PolarHBondContact O-N 3.28Š|
| 658 | K | 34.4 | Very low | 34.3 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | | | trans | -71.4 | 123.3 | 175.7 | -63.9 | 177.4 | -177.8 | 174.9 | 0 | 110.7 | S656 | S656-K658 PolarHBondContact O-N 3.33Š|
| 659 | Q | 34.2 | Very low | 34.2 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 86% | 0.862 | S | S | * | * | | | trans | -135.7 | 119 | 149.5 | -79.2 | -58.9 | -19.2 | 0 | 0 | 109.5 | T657 | T657-Q659 PolarHBondContact O-N 3.28Š|
| 660 | S | 33.6 | Very low | 33.9 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 58% | 0.58 | 86% | 0.861 | S | S | * | * | | | trans | -98 | 149.6 | 173.9 | 176.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 661 | W | 35.2 | Very low | 34.2 | Very low | 245 Ų | 245 | 150.1 Ų | 150.1 | 93% | 0.928 | 87% | 0.868 | S | S | * | * | | | trans | -148.7 | 140.3 | 138.1 | -95.1 | 97.9 | 0 | 0 | 0 | 109 | | |
| 662 | V | 34.7 | Very low | 34.1 | Very low | 111 Ų | 111 | 150.5 Ų | 150.5 | 67% | 0.673 | 87% | 0.867 | S | S | * | * | | | trans | -100.9 | 146.3 | -172.5 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 663 | P | 44.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 153.8 Ų | 153.8 | 83% | 0.831 | 88% | 0.875 | S | S | * | * | | | trans | -69.7 | 139.8 | 174.1 | -16.4 | 31.2 | 0 | 0 | 0 | 112.7 | | |
| 664 | G | 39.9 | Very low | 34.7 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 100% | 1.567 | 88% | 0.878 | S | S | * | * | | | trans | -128.9 | 0 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |