| 1 | M | 36.5 | Very low | 40.8 | Very low | 227 Ų | 227 | 160.5 Ų | 160.5 | 100% | 1.118 | 81% | 0.807 | S | S | * | * | | | | 0 | 115.6 | 0 | -82.4 | 165.4 | 165.3 | 0 | 0 | 108.3 | | |
| 2 | K | 40.2 | Very low | 41.2 | Very low | 174 Ų | 174 | 165.1 Ų | 165.1 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | | | trans | 69.8 | 110.8 | 142.5 | -55.5 | -179.1 | 171.7 | -175.3 | 0 | 118.2 | | |
| 3 | D | 40.3 | Very low | 42 | Very low | 159 Ų | 159 | 160.9 Ų | 160.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | | 73.4 | 129.6 | 91.9 | -54.6 | -39.8 | 0 | 0 | 0 | 111.1 | | |
| 4 | G | 39.3 | Very low | 42.4 | Very low | 64 Ų | 64 | 163.1 Ų | 163.1 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | | | cis | 169.7 | 160 | 6.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 5 | V | 43.2 | Very low | 42.9 | Very low | 133 Ų | 133 | 157 Ų | 157 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | 58.9 | 117 | 138.1 | -168.5 | 0 | 0 | 0 | 0 | 120 | | |
| 6 | R | 40.7 | Very low | 43.7 | Very low | 229 Ų | 229 | 152.4 Ų | 152.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | | 170.2 | 97.9 | 110.3 | -159.8 | 170.8 | -167 | -145.2 | 3 | 110.4 | | |
| 7 | Q | 40.8 | Very low | 44.4 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | | 53 | 116.2 | 101.4 | -73.4 | -175.3 | 33.1 | 0 | 0 | 117.2 | I9 | Q7-I9 HydrophobicContact CG-CD1 4.37Š|
| 8 | Q | 41 | Very low | 45 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | | | | -168.1 | 96.1 | 121.2 | -96.9 | 178.9 | 10 | 0 | 0 | 105.6 | | |
| 9 | I | 42.8 | Very low | 45.5 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | | | | 48.5 | 98.9 | 78.2 | -53 | 172.4 | 0 | 0 | 0 | 111.5 | Q7 | Q7-I9 HydrophobicContact CG-CD1 4.37Š|
| 10 | W | 43.4 | Very low | 46 | Very low | 260 Ų | 260 | 140.6 Ų | 140.6 | 99% | 0.985 | 73% | 0.733 | S | S | * | * | | | | -144.7 | 87.8 | 126.7 | -98.7 | 17.4 | 0 | 0 | 0 | 107.2 | | |
| 11 | G | 40.5 | Very low | 46.4 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | | | trans | -70.4 | 174.9 | 142.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 12 | R | 46 | Very low | 47.4 | Very low | 216 Ų | 216 | 133.5 Ų | 133.5 | 82% | 0.815 | 70% | 0.698 | S | S | * | * | | | cis | -177.6 | 162.8 | 16.9 | -142.3 | 170.3 | 64.1 | 177 | -0.9 | 104.2 | | |
| 13 | D | 51.3 | Low | 48.1 | Very low | 111 Ų | 111 | 134 Ų | 134 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | | | trans | 75.5 | 76.5 | 151.2 | -48.8 | -32.6 | 0 | 0 | 0 | 118.2 | S15 | D13-S15 PolarHBondContact O-N 3.19Š|
| 14 | M | 47.6 | Very low | 48.7 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 94% | 0.941 | 68% | 0.681 | S | S | * | * | | | trans | -75.1 | 99.9 | 149.1 | -53.6 | 178.2 | -173.8 | 0 | 0 | 107 | A16 | M14-A16 PolarHBondContact O-N 3.07Š|
| 15 | S | 49.9 | Very low | 49.5 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 50% | 0.503 | 68% | 0.677 | S | S | . | * | | | trans | -54.9 | 130.6 | -174.3 | -46.8 | 0 | 0 | 0 | 0 | 112 | D13 T17 V18 | D13-S15 PolarHBondContact O-N 3.19Å; S15-T17 PolarHBondContact O-N 3.39Å; S15-V18 PolarHBondContact O-N 3.26Å |
| 16 | A | 54.8 | Low | 50 | Low | 83 Ų | 83 | 133.1 Ų | 133.1 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -55.2 | -14.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M14 V18 S20 | M14-A16 PolarHBondContact O-N 3.07Å; A16-V18 VanDerWaalsContact C-N 3.34Å; A16-S20 PolarHBondContact O-N 3.24Å |
| 17 | T | 56.2 | Low | 50.7 | Low | 104 Ų | 104 | 128.6 Ų | 128.6 | 64% | 0.638 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.8 | -35.1 | 173.1 | -43 | 0 | 0 | 0 | 0 | 112.8 | S15 S20 T21 | S15-T17 PolarHBondContact O-N 3.39Å; T17-S20 PolarHBondContact O-N 3.41Å; T17-T21 PolarHBondContact O-N 3.26Å |
| 18 | V | 55.7 | Low | 51.4 | Low | 80 Ų | 80 | 125.9 Ų | 125.9 | 49% | 0.485 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -75.8 | -37.8 | -175.2 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | S15 A16 S20 T21 F22 | S15-V18 PolarHBondContact O-N 3.26Å; A16-V18 VanDerWaalsContact C-N 3.34Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 2.92Å; V18-T21 PolarHBondContact O-N 3.39Å; V18-T21 PolarHBondContact O-OG1 2.97Å; V18-F22 HydrophobicContact CG1-CD2 4.05Å; V18-F22 HydrophobicContact CG1-CE2 3.47Å; V18-F22 VanDerWaalsContact CG1-CE2 3.47Å; V18-F22 HydrophobicContact CG1-CZ 4.49Å; V18-F22 WeakPolarHBondContact O-CD2 3.24Å; V18-F22 PolarHBondContact O-N 2.99Å |
| 19 | L | 54.5 | Low | 52.1 | Low | 108 Ų | 108 | 125.8 Ų | 125.8 | 57% | 0.565 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.1 | -32.9 | 175.4 | -69.4 | 172.3 | 0 | 0 | 0 | 112.2 | T21 F22 Y23 | L19-T21 PolarHBondContact O-N 3.3Å; L19-F22 PolarHBondContact O-N 2.58Å; L19-Y23 VanDerWaalsContact O-CD2 3.31Å; L19-Y23 WeakPolarHBondContact O-CD2 2.98Å; L19-Y23 PolarHBondContact O-N 3.29Å |
| 20 | S | 54.6 | Low | 52.6 | Low | 81 Ų | 81 | 126.8 Ų | 126.8 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.3 | -36 | 176.3 | -162.1 | 0 | 0 | 0 | 0 | 112.7 | A16 T17 V18 F22 D24 | A16-S20 PolarHBondContact O-N 3.24Å; T17-S20 PolarHBondContact O-N 3.41Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 2.92Å; S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 3.37Å; S20-D24 PolarHBondContact O-N 2.7Å |
| 21 | T | 54.6 | Low | 52.8 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 49% | 0.485 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.7 | -23.8 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | T17 V18 L19 M25 | T17-T21 PolarHBondContact O-N 3.26Å; V18-T21 PolarHBondContact O-N 3.39Å; V18-T21 PolarHBondContact O-OG1 2.97Å; L19-T21 PolarHBondContact O-N 3.3Å; T21-M25 VanDerWaalsContact O-CG 3.27Å; T21-M25 WeakPolarHBondContact O-CG 3.31Å; T21-M25 PolarHBondContact O-N 2.67Å |
| 22 | F | 57.4 | Low | 53.3 | Low | 141 Ų | 141 | 124.2 Ų | 124.2 | 62% | 0.618 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.5 | -34.6 | 177.1 | -75.7 | -65.3 | 0 | 0 | 0 | 112.7 | V18 L19 S20 | V18-F22 HydrophobicContact CG1-CD2 4.05Å; V18-F22 HydrophobicContact CG1-CE2 3.47Å; V18-F22 VanDerWaalsContact CG1-CE2 3.47Å; V18-F22 HydrophobicContact CG1-CZ 4.49Å; V18-F22 WeakPolarHBondContact O-CD2 3.24Å; V18-F22 PolarHBondContact O-N 2.99Å; L19-F22 PolarHBondContact O-N 2.58Å; S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 3.37Å |
| 23 | Y | 56.3 | Low | 53.5 | Low | 183 Ų | 183 | 118.4 Ų | 118.4 | 72% | 0.718 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.6 | -30.1 | 175.9 | -75.7 | -74.1 | 0 | 0 | 0 | 113.3 | L19 D26 M27 | L19-Y23 VanDerWaalsContact O-CD2 3.31Å; L19-Y23 WeakPolarHBondContact O-CD2 2.98Å; L19-Y23 PolarHBondContact O-N 3.29Å; Y23-D26 PolarHBondContact O-N 2.82Å; Y23-M27 PolarHBondContact O-N 3.45Å |
| 24 | D | 51.5 | Low | 53.6 | Low | 99 Ų | 99 | 120 Ų | 120 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.9 | -34 | 179.7 | -143 | -4.3 | 0 | 0 | 0 | 112.3 | S20 D26 L28 | S20-D24 PolarHBondContact O-N 2.7Å; D24-D26 VanDerWaalsContact C-N 3.35Å; D24-D26 PolarHBondContact O-N 3.48Å; D24-L28 PolarHBondContact O-N 3.45Å |
| 25 | M | 57 | Low | 53.9 | Low | 119 Ų | 119 | 114.6 Ų | 114.6 | 59% | 0.586 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.7 | -33 | 174 | -70.4 | -65.9 | 100.9 | 0 | 0 | 112.9 | T21 L28 Y29 | T21-M25 VanDerWaalsContact O-CG 3.27Å; T21-M25 WeakPolarHBondContact O-CG 3.31Å; T21-M25 PolarHBondContact O-N 2.67Å; M25-L28 HydrophobicContact CE-CD1 3.83Å; M25-Y29 PolarHBondContact O-N 3.39Å; M25-Y29 VanDerWaalsContact O-N 3.16Å |
| 26 | D | 54 | Low | 54 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.4 | -30.9 | -179.4 | -138.8 | 23.6 | 0 | 0 | 0 | 112 | Y23 D24 K30 | Y23-D26 PolarHBondContact O-N 2.82Å; D24-D26 VanDerWaalsContact C-N 3.35Å; D24-D26 PolarHBondContact O-N 3.48Å; D26-K30 PolarHBondContact O-N 3.48Å |
| 27 | M | 54.1 | Low | 53.8 | Low | 134 Ų | 134 | 122 Ų | 122 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.8 | -43.7 | 171.6 | -115.5 | -66.4 | 176.2 | 0 | 0 | 112 | Y23 Y29 K30 E31 | Y23-M27 PolarHBondContact O-N 3.45Å; M27-Y29 VanDerWaalsContact C-N 3.34Å; M27-Y29 PolarHBondContact O-N 3.4Å; M27-K30 PolarHBondContact O-N 3.31Å; M27-E31 PolarHBondContact O-N 3.5Å |
| 28 | L | 55.2 | Low | 53.4 | Low | 86 Ų | 86 | 120.2 Ų | 120.2 | 45% | 0.45 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.4 | -30.4 | 177.9 | -81.6 | 163.8 | 0 | 0 | 0 | 113.4 | D24 M25 K32 | D24-L28 PolarHBondContact O-N 3.45Å; M25-L28 HydrophobicContact CE-CD1 3.83Å; L28-K32 WeakPolarHBondContact O-CB 3.38Å; L28-K32 PolarHBondContact O-N 3.27Å |
| 29 | Y | 56.8 | Low | 53.1 | Low | 188 Ų | 188 | 123.3 Ų | 123.3 | 74% | 0.737 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.4 | -33.5 | 175.5 | -128 | -93.8 | 0 | 0 | 0 | 112.5 | M25 M27 S33 | M25-Y29 PolarHBondContact O-N 3.39Å; M25-Y29 VanDerWaalsContact O-N 3.16Å; M27-Y29 VanDerWaalsContact C-N 3.34Å; M27-Y29 PolarHBondContact O-N 3.4Å; Y29-S33 PolarHBondContact O-N 3.32Å |
| 30 | K | 53.1 | Low | 52.8 | Low | 144 Ų | 144 | 126.8 Ų | 126.8 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.5 | -35 | 177.7 | -160 | 168 | -175.7 | 177.1 | 0 | 112.4 | D26 M27 M34 | D26-K30 PolarHBondContact O-N 3.48Å; M27-K30 PolarHBondContact O-N 3.31Å; K30-M34 WeakPolarHBondContact O-CG 3.49Å |
| 31 | E | 48.7 | Very low | 52.6 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 54% | 0.542 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.3 | -42.7 | 174.1 | -166.1 | -172.3 | 177.6 | 0 | 0 | 112 | M27 S33 M34 N35 | M27-E31 PolarHBondContact O-N 3.5Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-S33 PolarHBondContact O-N 3.49Å; E31-M34 PolarHBondContact O-N 3.11Å; E31-N35 WeakPolarHBondContact O-CB 3.41Å; E31-N35 PolarHBondContact O-N 3.45Å |
| 32 | K | 50.5 | Low | 52.2 | Low | 154 Ų | 154 | 134.7 Ų | 134.7 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.6 | -26.3 | -179 | -137.4 | 167.9 | -171.7 | 171.2 | 0 | 113.5 | L28 M34 M36 | L28-K32 WeakPolarHBondContact O-CB 3.38Å; L28-K32 PolarHBondContact O-N 3.27Å; K32-M34 VanDerWaalsContact C-N 3.33Å; K32-M36 WeakPolarHBondContact O-CG 3.37Å |
| 33 | S | 49.5 | Very low | 51.8 | Low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.1 | -24.8 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 113.2 | Y29 E31 | Y29-S33 PolarHBondContact O-N 3.32Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-S33 PolarHBondContact O-N 3.49Å |
| 34 | M | 53 | Low | 51.1 | Low | 145 Ų | 145 | 132.3 Ų | 132.3 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -94.9 | -8.9 | 179.5 | -55.3 | -162.6 | -62.5 | 0 | 0 | 112.3 | K30 E31 K32 | K30-M34 WeakPolarHBondContact O-CG 3.49Å; E31-M34 PolarHBondContact O-N 3.11Å; K32-M34 VanDerWaalsContact C-N 3.33Å |
| 35 | N | 54 | Low | 51 | Low | 78 Ų | 78 | 133.8 Ų | 133.8 | 42% | 0.417 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -125.9 | 38.3 | -171.9 | -160 | -6.5 | 0 | 0 | 0 | 113.9 | E31 | E31-N35 WeakPolarHBondContact O-CB 3.41Å; E31-N35 PolarHBondContact O-N 3.45Å |
| 36 | M | 52.3 | Low | 50.2 | Low | 149 Ų | 149 | 136 Ų | 136 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -117.8 | -7.3 | 166.2 | -70.3 | -71.2 | -73.6 | 0 | 0 | 112.6 | K32 | K32-M36 WeakPolarHBondContact O-CG 3.37Š|
| 37 | N | 51.2 | Low | 50.1 | Low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.9 | -0.5 | 176 | -73 | -26.1 | 0 | 0 | 0 | 113.7 | | |
| 38 | A | 48.4 | Very low | 49.4 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 55% | 0.554 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.8 | -0.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 39 | L | 47.8 | Very low | 48.8 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -114.7 | 27.4 | -171.8 | -68.4 | -178 | 0 | 0 | 0 | 116.2 | | |
| 40 | H | 49.2 | Very low | 47.9 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -125.6 | 23.9 | 175.6 | -147.8 | 72.9 | 0 | 0 | 0 | 117.2 | | |
| 41 | I | 51.1 | Low | 47 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -137.9 | 17.4 | 175 | -28.4 | 179 | 0 | 0 | 0 | 114.7 | | |
| 42 | N | 45 | Very low | 46.6 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -129.9 | 51.6 | 177.2 | -80.3 | -44.3 | 0 | 0 | 0 | 113.6 | | |
| 43 | S | 49.8 | Very low | 46.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -146.1 | 129.8 | 160.5 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 44 | M | 40.5 | Very low | 46 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 93.2 | 78.5 | 178.7 | -51.8 | -161.5 | -51.2 | 0 | 0 | 116.6 | | |
| 45 | L | 50.6 | Low | 45.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | | 151.7 | 89.7 | 95.6 | -83.1 | 162.5 | 0 | 0 | 0 | 111.5 | K47 | L45-K47 HydrophobicContact CD2-CD 3.65Å; L45-K47 HydrophobicContact CD2-CG 3.92Å |
| 46 | D | 39.2 | Very low | 44.1 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -81.8 | 103.7 | 152.6 | -141.7 | -32.7 | 0 | 0 | 0 | 107.6 | | |
| 47 | K | 51.4 | Low | 43.3 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 68% | 0.683 | 79% | 0.792 | S | S | * | * | | | trans | -150 | 99.3 | 169.5 | -64.3 | -170.2 | -174.4 | 174.4 | 0 | 110.6 | L45 | L45-K47 HydrophobicContact CD2-CD 3.65Å; L45-K47 HydrophobicContact CD2-CG 3.92Å |
| 48 | K | 39.4 | Very low | 42.5 | Very low | 187 Ų | 187 | 134 Ų | 134 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | 60.5 | 109.4 | 144.6 | 49.4 | 174.4 | 173.8 | -179.6 | 0 | 119.4 | | |
| 49 | A | 42.9 | Very low | 42.2 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -59.4 | 140.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 50 | V | 38.4 | Very low | 42.1 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | | | trans | -153.4 | 122.3 | 146.9 | -142.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 51 | G | 34.1 | Very low | 41.3 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | 68.6 | 111.7 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 52 | A | 40.5 | Very low | 40.7 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | trans | -61 | 165 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 53 | P | 50 | Low | 40.5 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | | -130.4 | 144.1 | 121.3 | 35.1 | -26.9 | 0 | 0 | 0 | 113.6 | | |
| 54 | V | 38 | Very low | 39.8 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | trans | -101 | 125.9 | 166.6 | -176.6 | 0 | 0 | 0 | 0 | 108 | | |
| 55 | A | 34.7 | Very low | 39.6 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | | | trans | 160.1 | 138.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 56 | G | 30.9 | Very low | 38.8 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | cis | 172.2 | 150.6 | 7.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 57 | S | 37.2 | Very low | 38.5 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -34.7 | 143.7 | -177.7 | -59 | 0 | 0 | 0 | 0 | 117.7 | | |
| 58 | F | 34 | Very low | 37.8 | Very low | 217 Ų | 217 | 139.3 Ų | 139.3 | 95% | 0.952 | 82% | 0.815 | S | S | * | * | | | | -163.3 | 124 | 120.6 | -77.1 | -65.6 | 0 | 0 | 0 | 109.9 | | |
| 59 | T | 40.6 | Very low | 37.6 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | | | trans | -82.6 | -177.3 | 166.5 | 53 | 0 | 0 | 0 | 0 | 109.4 | | |
| 60 | P | 47.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | cis | -136.9 | 170.6 | 1.1 | 38.4 | -19.4 | 0 | 0 | 0 | 115.3 | | |
| 61 | G | 32.1 | Very low | 36.9 | Very low | 60 Ų | 60 | 138.8 Ų | 138.8 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | | | trans | 152.1 | 108.1 | 151 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 62 | F | 38.7 | Very low | 36.8 | Very low | 188 Ų | 188 | 143 Ų | 143 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 84 | 102.7 | 135.5 | -56.9 | -72.7 | 0 | 0 | 0 | 122.4 | | |
| 63 | F | 40.9 | Very low | 36.5 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | 51.1 | 112.9 | 141.6 | -62.8 | -69.6 | 0 | 0 | 0 | 122.6 | R65 | F63-R65 PolarHBondContact O-N 3.01Š|
| 64 | R | 34.6 | Very low | 35.9 | Very low | 250 Ų | 250 | 145.9 Ų | 145.9 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | | | trans | -60.6 | 119 | 142.5 | -76 | -178 | -173.6 | -97.9 | -0.4 | 109.4 | | |
| 65 | R | 35.1 | Very low | 35.6 | Very low | 221 Ų | 221 | 143.8 Ų | 143.8 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | -96 | 115 | 156.7 | -81.6 | -177.5 | -118.1 | -145.6 | -2 | 108.6 | F63 | F63-R65 PolarHBondContact O-N 3.01Š|
| 66 | N | 35.3 | Very low | 35.5 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | -86.4 | 114.7 | 154.6 | -128.4 | 29 | 0 | 0 | 0 | 105.6 | | |
| 67 | S | 32.7 | Very low | 35.8 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | | | trans | -142.8 | 98.2 | 170.9 | -59.5 | 0 | 0 | 0 | 0 | 108.2 | S69 | S67-S69 PolarHBondContact O-N 3.16Š|
| 68 | T | 37.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -80.2 | 104.6 | 159.1 | 48.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 69 | S | 34.6 | Very low | 36 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -74 | 120.7 | 161.9 | 47.4 | 0 | 0 | 0 | 0 | 108.8 | S67 | S67-S69 PolarHBondContact O-N 3.16Š|
| 70 | N | 32.6 | Very low | 35.7 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -114.5 | 114.8 | 162.9 | -168.1 | -19.5 | 0 | 0 | 0 | 106.8 | | |
| 71 | L | 34.4 | Very low | 35 | Very low | 140 Ų | 140 | 152 Ų | 152 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -107.9 | 140.2 | 174.7 | -161.9 | 88.2 | 0 | 0 | 0 | 107.3 | | |
| 72 | E | 32.6 | Very low | 35.1 | Very low | 162 Ų | 162 | 157 Ų | 157 | 76% | 0.757 | 82% | 0.822 | S | S | * | * | | | trans | 84.6 | 101.3 | 161.2 | -47.4 | -170.2 | 140.7 | 0 | 0 | 119 | | |
| 73 | A | 32.7 | Very low | 34.7 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | | | | -151.4 | 106.2 | 124.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 74 | M | 37.7 | Very low | 34.3 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -80.1 | 137 | 168.2 | -51.2 | 167.8 | 91.6 | 0 | 0 | 107.9 | | |
| 75 | S | 32.7 | Very low | 34.2 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | | 146.8 | 142.5 | 122.2 | -160.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 76 | N | 32.8 | Very low | 34.1 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | 79 | 98.3 | 165.7 | -67.9 | -12.5 | 0 | 0 | 0 | 118 | | |
| 77 | G | 36.3 | Very low | 34 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -71.2 | 152.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 78 | N | 34.4 | Very low | 34.1 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -123.6 | 126.8 | 153.3 | -98.9 | 12.1 | 0 | 0 | 0 | 108.3 | | |
| 79 | K | 41.7 | Very low | 33.9 | Very low | 214 Ų | 214 | 138.8 Ų | 138.8 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -67.7 | 128.3 | 174.4 | -55.1 | 175.5 | -178.6 | -173.2 | 0 | 108.3 | | |
| 80 | Y | 33.8 | Very low | 33.9 | Very low | 222 Ų | 222 | 142.2 Ų | 142.2 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | trans | -148.8 | 135.3 | 141.5 | 55.5 | -91.2 | 0 | 0 | 0 | 110.1 | | |
| 81 | S | 32.4 | Very low | 33.8 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -90.5 | 138.1 | -176.2 | -164.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 82 | L | 33.3 | Very low | 33.8 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | 29.7 | 123.4 | 140.3 | -167.1 | 66.2 | 0 | 0 | 0 | 121.1 | | |
| 83 | G | 30.6 | Very low | 33.8 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | 76.4 | 152 | 139.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 84 | S | 33.3 | Very low | 35.2 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | cis | -177.7 | 147.4 | 8.6 | -132.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 85 | Y | 31.9 | Very low | 35 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | 37.7 | 136.6 | 160.9 | 71.3 | -93.6 | 0 | 0 | 0 | 123.4 | | |
| 86 | S | 32.4 | Very low | 34.9 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | 130.9 | 105.9 | 130.2 | -98.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 87 | S | 34.5 | Very low | 34.8 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -59.5 | 148 | 151.3 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 88 | C | 33.8 | Very low | 34.5 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 72% | 0.716 | 81% | 0.807 | S | S | * | * | | | | 171.3 | 145.3 | 112.7 | 65.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 89 | M | 34.3 | Very low | 34.4 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | 67.5 | 106.9 | 151.7 | -44.4 | -33.8 | 173.9 | 0 | 0 | 123.2 | | |
| 90 | K | 34.9 | Very low | 34.5 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | | 45 | 124 | 106.8 | -149.8 | -179 | -173.6 | -170.7 | 0 | 119.7 | | |
| 91 | E | 28.7 | Very low | 35 | Very low | 178 Ų | 178 | 123 Ų | 123 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | | 168.1 | 167.9 | 115.5 | -163.1 | 161 | 125 | 0 | 0 | 112.7 | | |
| 92 | N | 34.3 | Very low | 35.7 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | trans | -84.4 | 144.8 | -154.8 | -72.2 | -12.2 | 0 | 0 | 0 | 118.9 | | |
| 93 | S | 34.3 | Very low | 36.3 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 64.1 | 175.5 | 137.3 | -50.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 94 | P | 61.1 | Low | 37.3 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | | -122.1 | 164 | -97.6 | 33.7 | -14 | 0 | 0 | 0 | 113.2 | | |
| 95 | V | 33.7 | Very low | 37.6 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -176.4 | 142 | 151.3 | 140.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 96 | G | 30.7 | Very low | 38.8 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -85 | -175.1 | -174 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 97 | G | 30.2 | Very low | 39.8 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | 137.2 | 112.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 98 | G | 31.4 | Very low | 40.4 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | | | trans | -76.6 | 179.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 99 | G | 32.1 | Very low | 41.2 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | 151.6 | 103.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 100 | A | 43.1 | Very low | 41.8 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -7.6 | 127.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 101 | T | 44.2 | Very low | 42.7 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | | -148.9 | 104.1 | 127.7 | 40.3 | 0 | 0 | 0 | 0 | 109.1 | L103 | T101-L103 PolarHBondContact O-N 3.27Š|
| 102 | A | 47.5 | Very low | 43.4 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -81.9 | 98.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 103 | L | 45.8 | Very low | 44.1 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | | | trans | -136.7 | 98.6 | 167.7 | -87.3 | 165.1 | 0 | 0 | 0 | 109.3 | T101 | T101-L103 PolarHBondContact O-N 3.27Š|
| 104 | M | 50.8 | Low | 44.8 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | 33.7 | 103.6 | 149.1 | 32.7 | -177.4 | 149.8 | 0 | 0 | 117.8 | | |
| 105 | N | 40.4 | Very low | 44 | Very low | 104 Ų | 104 | 143 Ų | 143 | 56% | 0.556 | 80% | 0.802 | S | S | * | * | | | trans | -137.2 | 109.7 | 150.2 | -155.3 | -12.2 | 0 | 0 | 0 | 112.3 | E107 | N105-E107 VanDerWaalsContact CG-OE1 3.24Å; N105-E107 PolarHBondContact ND2-OE1 3.41Å; N105-E107 PolarHBondContact O-N 3.29Å; N105-E107 WeakPolarHBondContact OD1-CG 3.49Å; N105-E107 PolarHBondContact OD1-OE1 3.41Å |
| 106 | K | 57 | Low | 44.4 | Very low | 223 Ų | 223 | 141.7 Ų | 141.7 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 32.6 | -178 | -162.4 | 172 | 175.2 | 179.4 | 0 | 111.4 | | |
| 107 | E | 52.4 | Low | 44.7 | Very low | 143 Ų | 143 | 146.6 Ų | 146.6 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | -0.3 | -177.9 | 80.8 | -166.5 | 137.6 | 0 | 0 | 115.8 | N105 | N105-E107 VanDerWaalsContact CG-OE1 3.24Å; N105-E107 PolarHBondContact ND2-OE1 3.41Å; N105-E107 PolarHBondContact O-N 3.29Å; N105-E107 WeakPolarHBondContact OD1-CG 3.49Å; N105-E107 PolarHBondContact OD1-OE1 3.41Å |
| 108 | N | 48.5 | Very low | 45.4 | Very low | 108 Ų | 108 | 150 Ų | 150 | 58% | 0.578 | 81% | 0.806 | S | S | * | * | | | trans | -101.2 | 10.7 | -177.2 | -87.2 | -8.1 | 0 | 0 | 0 | 117.1 | F110 | N108-F110 PolarHBondContact O-N 2.78Š|
| 109 | K | 49.5 | Very low | 45.8 | Very low | 210 Ų | 210 | 149 Ų | 149 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 0.1 | -177.2 | -157.5 | 169.4 | -179.5 | 179.7 | 0 | 115.1 | | |
| 110 | F | 46.6 | Very low | 46.2 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -6.5 | -178.1 | -144.3 | -96.2 | 0 | 0 | 0 | 114.9 | N108 | N108-F110 PolarHBondContact O-N 2.78Š|
| 111 | R | 54.2 | Low | 46 | Very low | 215 Ų | 215 | 157.8 Ų | 157.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -11 | -176 | -74.3 | -168.2 | 69.5 | 179.2 | -0.3 | 116.7 | R113 | R111-R113 VanDerWaalsContact C-N 3.35Å; R111-R113 PolarHBondContact O-N 3.25Å |
| 112 | D | 42.7 | Very low | 46 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 14.5 | -175.3 | -66.9 | -47.6 | 0 | 0 | 0 | 115.4 | A114 | D112-A114 VanDerWaalsContact C-N 3.34Š|
| 113 | R | 50.3 | Low | 45.7 | Very low | 253 Ų | 253 | 156.9 Ų | 156.9 | 96% | 0.955 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 9 | 173.3 | -147.9 | 163.4 | -168.3 | 139.6 | 2.7 | 114.1 | R111 | R111-R113 VanDerWaalsContact C-N 3.35Å; R111-R113 PolarHBondContact O-N 3.25Å |
| 114 | A | 48.7 | Very low | 46 | Very low | 72 Ų | 72 | 158.7 Ų | 158.7 | 60% | 0.595 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -103 | -7.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D112 | D112-A114 VanDerWaalsContact C-N 3.34Š|
| 115 | Y | 43.3 | Very low | 45.8 | Very low | 219 Ų | 219 | 159.1 Ų | 159.1 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -144.7 | 88.8 | -177 | -87.3 | -86.9 | 0 | 0 | 0 | 113.5 | | |
| 116 | S | 42.5 | Very low | 46.1 | Very low | 121 Ų | 121 | 163 Ų | 163 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -167.1 | 106.8 | 151.8 | -67.2 | 0 | 0 | 0 | 0 | 102.8 | | |
| 117 | E | 37.7 | Very low | 45 | Very low | 182 Ų | 182 | 161.7 Ų | 161.7 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | | -176.9 | 126.7 | 72.8 | -172.5 | 174.2 | 135.6 | 0 | 0 | 107.9 | | |
| 118 | T | 44.9 | Very low | 44.5 | Very low | 154 Ų | 154 | 160 Ų | 160 | 95% | 0.945 | 81% | 0.811 | S | S | * | * | | | trans | -118.6 | 111.1 | 161.1 | 43.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 119 | G | 39.1 | Very low | 44.1 | Very low | 66 Ų | 66 | 158.9 Ų | 158.9 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | | | trans | -157.3 | 76.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 120 | D | 41.3 | Very low | 44 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | | | trans | 59.2 | 136.7 | 142.4 | -121 | -97.4 | 0 | 0 | 0 | 124.1 | | |
| 121 | R | 39.2 | Very low | 44.3 | Very low | 224 Ų | 224 | 152.7 Ų | 152.7 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | 91.4 | 87 | 155.7 | -51.2 | -172.1 | 110.5 | 81.9 | -9.7 | 120.9 | | |
| 122 | G | 44.1 | Very low | 44 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | | 78.7 | 104.8 | 112.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 123 | V | 40 | Very low | 44.5 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | | -172 | 141.2 | 121.3 | 162 | 0 | 0 | 0 | 0 | 107.3 | Q125 | V123-Q125 PolarHBondContact O-N 3.17Š|
| 124 | L | 53.7 | Low | 45.6 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -44 | 113.7 | 178.7 | -63.9 | 163.2 | 0 | 0 | 0 | 112.9 | | |
| 125 | Q | 46.3 | Very low | 47.2 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -142.6 | 108.6 | 156.5 | -161.2 | 85.2 | 65.9 | 0 | 0 | 108 | V123 K127 | V123-Q125 PolarHBondContact O-N 3.17Å; Q125-K127 PolarHBondContact O-N 3.02Å; Q125-K127 VanDerWaalsContact O-N 3.07Å |
| 126 | Q | 45.4 | Very low | 49.4 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -48 | 116.7 | 169.2 | -73.6 | 170.2 | -19.1 | 0 | 0 | 108.9 | P128 | Q126-P128 VanDerWaalsContact O-CD 3.24Å; Q126-P128 WeakPolarHBondContact O-CD 3.38Å |
| 127 | K | 35.4 | Very low | 51.8 | Low | 196 Ų | 196 | 138.1 Ų | 138.1 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | | | trans | -63.4 | 111.9 | 167.2 | -171.3 | 175 | -176 | 175.4 | 0 | 106.2 | Q125 A129 | Q125-K127 PolarHBondContact O-N 3.02Å; Q125-K127 VanDerWaalsContact O-N 3.07Å; K127-A129 PolarHBondContact O-N 3.46Å |
| 128 | P | 40.7 | Very low | 54.5 | Low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | trans | -61.4 | 134 | 168.5 | 27.3 | -29.5 | 0 | 0 | 0 | 105.7 | Q126 S130 | Q126-P128 VanDerWaalsContact O-CD 3.24Å; Q126-P128 WeakPolarHBondContact O-CD 3.38Å; P128-S130 PolarHBondContact O-N 2.87Å |
| 129 | A | 40.1 | Very low | 56.8 | Low | 84 Ų | 84 | 123.8 Ų | 123.8 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | | | trans | -38.9 | 140.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | K127 Q131 | K127-A129 PolarHBondContact O-N 3.46Å; A129-Q131 PolarHBondContact O-N 3.4Å |
| 130 | S | 48 | Very low | 59.3 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | | | trans | -55.9 | 79.5 | 172.9 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | P128 I132 | P128-S130 PolarHBondContact O-N 2.87Å; S130-I132 VanDerWaalsContact C-N 3.26Å; S130-I132 PolarHBondContact O-N 2.76Å |
| 131 | Q | 52.5 | Low | 61.9 | Low | 165 Ų | 165 | 119.9 Ų | 119.9 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | | | trans | -58.2 | 104.5 | 154.2 | -94.6 | -177.8 | -20.6 | 0 | 0 | 102.5 | A129 N133 | A129-Q131 PolarHBondContact O-N 3.4Å; Q131-N133 PolarHBondContact O-N 3.34Å; Q131-N133 PolarHBondContact O-OD1 2.73Å |
| 132 | I | 48.9 | Very low | 64.7 | Low | 160 Ų | 160 | 109.4 Ų | 109.4 | 82% | 0.821 | 60% | 0.596 | S | S | * | * | | | trans | -51.5 | 82.9 | 150.6 | 40.6 | 153.6 | 0 | 0 | 0 | 106.7 | S130 S134 | S130-I132 VanDerWaalsContact C-N 3.26Å; S130-I132 PolarHBondContact O-N 2.76Å; I132-S134 PolarHBondContact O-N 3.04Å |
| 133 | N | 52 | Low | 67.1 | Low | 136 Ų | 136 | 114 Ų | 114 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | | | trans | -66.3 | 72 | 166.1 | 47.8 | -8.3 | 0 | 0 | 0 | 105.9 | Q131 T135 | Q131-N133 PolarHBondContact O-N 3.34Å; Q131-N133 PolarHBondContact O-OD1 2.73Å; N133-T135 PolarHBondContact O-N 3.01Å |
| 134 | S | 74.6 | Confident | 69.8 | Low | 61 Ų | 61 | 110.4 Ų | 110.4 | 43% | 0.427 | 57% | 0.569 | S | S | . | * | | | trans | -53.9 | 111.7 | 168 | 179.6 | 0 | 0 | 0 | 0 | 105.2 | I132 R136 Y137 | I132-S134 PolarHBondContact O-N 3.04Å; S134-R136 PolarHBondContact O-N 3.07Å; S134-Y137 WeakPolarHBondContact O-CB 3.41Å; S134-Y137 PolarHBondContact O-N 2.91Å |
| 135 | T | 81.7 | Confident | 71.9 | Confident | 125 Ų | 125 | 105.5 Ų | 105.5 | 77% | 0.767 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -8.4 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | N133 L169 | N133-T135 PolarHBondContact O-N 3.01Å; T135-L169 WeakPolarHBondContact O-CD1 3.27Å |
| 136 | R | 88.6 | Confident | 74.2 | Confident | 163 Ų | 163 | 102.8 Ų | 102.8 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 4.3 | 176.4 | -61.5 | -149.4 | -78.3 | -171.6 | -7.3 | 114.9 | S134 K138 T139 | S134-R136 PolarHBondContact O-N 3.07Å; R136-K138 PolarHBondContact O-N 2.86Å; R136-T139 WeakPolarHBondContact CA-OG1 3.5Å; R136-T139 PolarHBondContact O-OG1 3.36Å |
| 137 | Y | 94.3 | Very high | 76.6 | Confident | 71 Ų | 71 | 100.8 Ų | 100.8 | 28% | 0.278 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 123.8 | 178.8 | 179.3 | -100.9 | 0 | 0 | 0 | 111.2 | S134 T139 Q158 R167 | S134-Y137 WeakPolarHBondContact O-CB 3.41Å; S134-Y137 PolarHBondContact O-N 2.91Å; Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 WeakPolarHBondContact O-CG2 3.23Å; Y137-T139 PolarHBondContact O-N 2.86Å; Y137-Q158 HydrophobicContact CD2-CB 4.27Å; Y137-Q158 HydrophobicContact CD2-CG 4.4Å; Y137-R167 WeakPolarHBondContact O-CD 3.42Å |
| 138 | K | 93.7 | Very high | 79.4 | Confident | 13 Ų | 13 | 96.9 Ų | 96.9 | 6% | 0.057 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 37.1 | -178.2 | -66.2 | -177 | 176.4 | -111.1 | 0 | 113.6 | R136 Q158 A160 E165 L166 R167 | R136-K138 PolarHBondContact O-N 2.86Å; K138-Q158 WeakPolarHBondContact CA-O 3.34Å; K138-Q158 PolarHBondContact N-O 3.4Å; K138-A160 HydrophobicContact CB-CB 4.25Å; K138-E165 WeakPolarHBondContact CB-O 3.34Å; K138-E165 HydrophobicContact CD-CB 4.1Å; K138-E165 IonicContact NZ-OE1 3.66Å; K138-E165 PolarHBondContact NZ-OE1 3.24Å; K138-E165 IonicContact NZ-OE2 2.77Å; K138-E165 PolarHBondContact NZ-OE2 3.3Å; K138-L166 CarbonylContact O-C 3.59Å; K138-L166 WeakPolarHBondContact O-CA 3.49Å; K138-R167 HydrophobicContact CB-CG 4.44Å; K138-R167 PolarHBondContact O-N 3.4Å |
| 139 | T | 92.8 | Very high | 81.9 | Confident | 22 Ų | 22 | 94.2 Ų | 94.2 | 14% | 0.135 | 50% | 0.499 | C | S | . | . | | | trans | -103.7 | -7.1 | -177.4 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | R136 Y137 L166 R167 L169 | R136-T139 WeakPolarHBondContact CA-OG1 3.5Å; R136-T139 PolarHBondContact O-OG1 3.36Å; Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 WeakPolarHBondContact O-CG2 3.23Å; Y137-T139 PolarHBondContact O-N 2.86Å; T139-L166 VanDerWaalsContact C-CD1 3.45Å; T139-R167 HydrophobicContact CG2-CB 4.22Å; T139-L169 HydrophobicContact CG2-CD1 3.15Å; T139-L169 WeakPolarHBondContact OG1-CD1 3.49Å |
| 140 | E | 92.9 | Very high | 84.6 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 36% | 0.36 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -130.4 | 149.3 | 172.9 | -64.5 | 178.9 | -169.8 | 0 | 0 | 107.5 | F159 A160 | E140-F159 HydrophobicContact CB-CD1 4.11Å; E140-F159 HydrophobicContact CB-CE1 4.48Å; E140-A160 PolarHBondContact O-N 3.48Å |
| 141 | L | 95.1 | Very high | 86.9 | Confident | 45 Ų | 45 | 89.2 Ų | 89.2 | 24% | 0.236 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 145.2 | 177.7 | -68.7 | 171.5 | 0 | 0 | 0 | 111 | R143 A160 Y163 L166 | L141-R143 PolarHBondContact O-N 3.08Å; L141-A160 CarbonylContact C-O 3.57Å; L141-A160 WeakPolarHBondContact CA-O 3.27Å; L141-A160 HydrophobicContact CD2-CB 4.22Å; L141-Y163 HydrophobicContact CD1-CE1 4.05Å; L141-L166 HydrophobicContact CD2-CB 4.48Å; L141-L166 HydrophobicContact CD2-CD1 4.21Å; L141-L166 HydrophobicContact CD2-CD2 4.35Å; L141-L166 HydrophobicContact CG-CD1 4.24Å; L141-L166 HydrophobicContact CG-CD2 4.36Å |
| 142 | C | 96.9 | Very high | 89 | Confident | 5 Ų | 5 | 90 Ų | 90 | 3% | 0.034 | 46% | 0.46 | C | S | . | . | | | trans | -80.4 | 106.7 | 177.4 | -174 | 0 | 0 | 0 | 0 | 109.8 | F145 E146 C151 F159 A160 | C142-F145 HydrophobicContact CB-CB 3.88Å; C142-F145 PolarHBondContact O-N 3.47Å; C142-F145 VanDerWaalsContact O-N 3.15Å; C142-E146 WeakPolarHBondContact O-CB 3.45Å; C142-E146 PolarHBondContact O-N 2.75Å; C142-C151 VanDerWaalsContact SG-SG 3.68Å; C142-F159 HydrophobicContact CB-CB 3.62Å; C142-A160 WeakPolarHBondContact CB-O 3.29Å; C142-A160 PolarHBondContact N-O 3.49Å |
| 143 | R | 95.5 | Very high | 91.2 | Very high | 172 Ų | 172 | 89.2 Ų | 89.2 | 65% | 0.649 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -57.8 | -45.5 | -179 | -63.5 | -171.8 | -176.5 | 173.7 | -2.5 | 114.8 | L141 F145 E146 E147 | L141-R143 PolarHBondContact O-N 3.08Å; R143-F145 PolarHBondContact O-N 3.45Å; R143-E146 PolarHBondContact O-N 3.39Å; R143-E146 VanDerWaalsContact O-N 3.12Å; R143-E147 WeakPolarHBondContact O-CB 3.39Å; R143-E147 WeakPolarHBondContact O-CG 3.45Å; R143-E147 PolarHBondContact O-N 3.5Å |
| 144 | P | 96.7 | Very high | 93.2 | Very high | 66 Ų | 66 | 84.1 Ų | 84.1 | 43% | 0.429 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 176.9 | -24.9 | 34.5 | 0 | 0 | 0 | 112.8 | N148 S150 | P144-N148 WeakPolarHBondContact O-CA 2.94Å; P144-N148 VanDerWaalsContact O-CB 3.27Å; P144-N148 WeakPolarHBondContact O-CB 2.95Å; P144-N148 PolarHBondContact O-N 3.06Å; P144-N148 PolarHBondContact O-OD1 3.31Å; P144-S150 CarbonylContact C-O 3.57Å |
| 145 | F | 97 | Very high | 94.2 | Very high | 64 Ų | 64 | 88.1 Ų | 88.1 | 28% | 0.281 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.6 | -38.7 | 176.3 | -167.7 | -87.7 | 0 | 0 | 0 | 111.8 | C142 R143 G149 C151 H161 | C142-F145 HydrophobicContact CB-CB 3.88Å; C142-F145 PolarHBondContact O-N 3.47Å; C142-F145 VanDerWaalsContact O-N 3.15Å; R143-F145 PolarHBondContact O-N 3.45Å; F145-G149 WeakPolarHBondContact CE2-O 3.08Å; F145-G149 WeakPolarHBondContact O-CA 3.36Å; F145-G149 PolarHBondContact O-N 3.35Å; F145-C151 HydrophobicContact CB-CB 4.13Å; F145-C151 HydrophobicContact CD2-CB 4.06Å; F145-H161 HydrophobicContact CB-CB 4.47Å; F145-H161 HydrophobicContact CD1-CB 3.58Å; F145-H161 WeakPolarHBondContact CD1-O 3.49Å; F145-H161 HydrophobicContact CD2-CB 3.91Å; F145-H161 AromaticContact CD2-CD2 3.66Å; F145-H161 AromaticContact CD2-CE1 4Å; F145-H161 AromaticContact CD2-CG 3.54Å; F145-H161 AromaticContact CD2-ND1 3.78Å; F145-H161 AromaticContact CD2-NE2 3.98Å; F145-H161 HydrophobicContact CE1-CB 3.67Å; F145-H161 WeakPolarHBondContact CE1-O 3.4Å; F145-H161 HydrophobicContact CE2-CB 3.99Å; F145-H161 AromaticContact CE2-CG 3.91Å; F145-H161 AromaticContact CE2-ND1 3.93Å; F145-H161 HydrophobicContact CG-CB 3.7Å; F145-H161 AromaticContact CG-CD2 3.54Å; F145-H161 AromaticContact CG-CG 3.61Å; F145-H161 HydrophobicContact CZ-CB 3.87Å |
| 146 | E | 95.5 | Very high | 94.8 | Very high | 124 Ų | 124 | 91 Ų | 91 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 176.6 | -174.8 | 177 | -158.2 | 0 | 0 | 112.2 | C142 R143 | C142-E146 WeakPolarHBondContact O-CB 3.45Å; C142-E146 PolarHBondContact O-N 2.75Å; R143-E146 PolarHBondContact O-N 3.39Å; R143-E146 VanDerWaalsContact O-N 3.12Å |
| 147 | E | 95 | Very high | 95.2 | Very high | 143 Ų | 143 | 83.4 Ų | 83.4 | 67% | 0.668 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -82 | -39.1 | -177.2 | -68.8 | 171.5 | -171.1 | 0 | 0 | 112.7 | R143 | R143-E147 WeakPolarHBondContact O-CB 3.39Å; R143-E147 WeakPolarHBondContact O-CG 3.45Å; R143-E147 PolarHBondContact O-N 3.5Å |
| 148 | N | 94.7 | Very high | 95.2 | Very high | 114 Ų | 114 | 86.3 Ų | 86.3 | 61% | 0.61 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -113.9 | -2.7 | -171.6 | -52.7 | 111.1 | 0 | 0 | 0 | 113.9 | P144 S150 | P144-N148 WeakPolarHBondContact O-CA 2.94Å; P144-N148 VanDerWaalsContact O-CB 3.27Å; P144-N148 WeakPolarHBondContact O-CB 2.95Å; P144-N148 PolarHBondContact O-N 3.06Å; P144-N148 PolarHBondContact O-OD1 3.31Å; N148-S150 PolarHBondContact O-N 3.16Å; N148-S150 VanDerWaalsContact O-N 3.08Å |
| 149 | G | 94.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 90.4 Ų | 90.4 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 67 | 3.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F145 | F145-G149 WeakPolarHBondContact CE2-O 3.08Å; F145-G149 WeakPolarHBondContact O-CA 3.36Å; F145-G149 PolarHBondContact O-N 3.35Å |
| 150 | S | 95.5 | Very high | 95.5 | Very high | 77 Ų | 77 | 89.4 Ų | 89.4 | 54% | 0.538 | 44% | 0.441 | S | S | . | . | | | trans | -143.9 | 143.7 | -176.3 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | P144 N148 | P144-S150 CarbonylContact C-O 3.57Å; N148-S150 PolarHBondContact O-N 3.16Å; N148-S150 VanDerWaalsContact O-N 3.08Å |
| 151 | C | 97.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 86.7 Ų | 86.7 | 13% | 0.128 | 43% | 0.428 | C | S | . | . | | | trans | -129.2 | 128.6 | 178.5 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | C142 F145 Y153 G154 C157 H161 | C142-C151 VanDerWaalsContact SG-SG 3.68Å; F145-C151 HydrophobicContact CB-CB 4.13Å; F145-C151 HydrophobicContact CD2-CB 4.06Å; C151-Y153 PolarHBondContact O-N 3.18Å; C151-Y153 PolarHBondContact SG-N 3.31Å; C151-G154 PolarHBondContact O-N 3.28Å; C151-C157 VanDerWaalsContact SG-SG 3.69Å; C151-H161 WeakPolarHBondContact CB-NE2 3.45Å; C151-H161 PolarHBondContact SG-NE2 3.01Å; C151-H161 VanDerWaalsContact SG-NE2 3.43Å |
| 152 | K | 96.4 | Very high | 95.6 | Very high | 181 Ų | 181 | 85.2 Ų | 85.2 | 79% | 0.787 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.7 | 177.6 | 65.4 | -172.1 | -178.4 | -176.8 | 0 | 114.5 | | |
| 153 | Y | 95 | Very high | 95.5 | Very high | 144 Ų | 144 | 93.8 Ų | 93.8 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10 | 179.7 | -59.2 | -69.8 | 0 | 0 | 0 | 113.6 | C151 E155 K156 | C151-Y153 PolarHBondContact O-N 3.18Å; C151-Y153 PolarHBondContact SG-N 3.31Å; Y153-E155 PolarHBondContact O-N 3.1Å; Y153-K156 WeakPolarHBondContact O-CB 3.12Å; Y153-K156 PolarHBondContact O-N 2.78Å; Y153-K156 VanDerWaalsContact O-N 3.08Å |
| 154 | G | 94.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 93.4 Ų | 93.4 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | 47.8 | -138 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C151 K156 C157 H161 | C151-G154 PolarHBondContact O-N 3.28Å; G154-K156 PolarHBondContact O-N 3.07Å; G154-K156 VanDerWaalsContact O-N 3.07Å; G154-C157 VanDerWaalsContact O-CB 3.23Å; G154-C157 WeakPolarHBondContact O-CB 3.5Å; G154-C157 PolarHBondContact O-N 3.44Å; G154-H161 PolarHBondContact O-CE1 3.5Å |
| 155 | E | 94.3 | Very high | 95.2 | Very high | 144 Ų | 144 | 91.9 Ų | 91.9 | 67% | 0.673 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -61.3 | -19.2 | -179.8 | -60.1 | -54.1 | 143.4 | 0 | 0 | 114.7 | Y153 C157 | Y153-E155 PolarHBondContact O-N 3.1Å; E155-C157 PolarHBondContact O-N 3.08Å |
| 156 | K | 94.9 | Very high | 95.1 | Very high | 187 Ų | 187 | 91.7 Ų | 91.7 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -83.2 | 0.7 | 178.2 | -52.4 | -179.1 | -156.4 | -72.6 | 0 | 112.2 | Y153 G154 Q158 | Y153-K156 WeakPolarHBondContact O-CB 3.12Å; Y153-K156 PolarHBondContact O-N 2.78Å; Y153-K156 VanDerWaalsContact O-N 3.08Å; G154-K156 PolarHBondContact O-N 3.07Å; G154-K156 VanDerWaalsContact O-N 3.07Å; K156-Q158 PolarHBondContact O-N 2.86Å |
| 157 | C | 96.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 92.8 Ų | 92.8 | 1% | 0.014 | 45% | 0.45 | C | S | . | . | | | trans | -57.4 | 131.6 | 176.3 | -166.7 | 0 | 0 | 0 | 0 | 110.4 | C151 G154 E155 F159 H161 | C151-C157 VanDerWaalsContact SG-SG 3.69Å; G154-C157 VanDerWaalsContact O-CB 3.23Å; G154-C157 WeakPolarHBondContact O-CB 3.5Å; G154-C157 PolarHBondContact O-N 3.44Å; E155-C157 PolarHBondContact O-N 3.08Å; C157-F159 PolarHBondContact O-N 3.03Å; C157-F159 PolarHBondContact SG-N 2.9Å; C157-F159 PolarHBondContact SG-O 3.46Å; C157-H161 VanDerWaalsContact CB-NE2 3.29Å; C157-H161 WeakPolarHBondContact CB-NE2 3.33Å |
| 158 | Q | 95.3 | Very high | 94.4 | Very high | 133 Ų | 133 | 91.4 Ų | 91.4 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -77.7 | -10.5 | 175.8 | -64.3 | -177.1 | 27.1 | 0 | 0 | 112.5 | Y137 K138 K156 | Y137-Q158 HydrophobicContact CD2-CB 4.27Å; Y137-Q158 HydrophobicContact CD2-CG 4.4Å; K138-Q158 WeakPolarHBondContact CA-O 3.34Å; K138-Q158 PolarHBondContact N-O 3.4Å; K156-Q158 PolarHBondContact O-N 2.86Å |
| 159 | F | 95.5 | Very high | 93.9 | Very high | 99 Ų | 99 | 88.3 Ų | 88.3 | 43% | 0.434 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -104.7 | 156.6 | 176.6 | -59.1 | -80.3 | 0 | 0 | 0 | 109.7 | E140 C142 C157 | E140-F159 HydrophobicContact CB-CD1 4.11Å; E140-F159 HydrophobicContact CB-CE1 4.48Å; C142-F159 HydrophobicContact CB-CB 3.62Å; C157-F159 PolarHBondContact O-N 3.03Å; C157-F159 PolarHBondContact SG-N 2.9Å; C157-F159 PolarHBondContact SG-O 3.46Å |
| 160 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 46% | 0.455 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 130.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | K138 E140 L141 C142 G162 E165 L166 | K138-A160 HydrophobicContact CB-CB 4.25Å; E140-A160 PolarHBondContact O-N 3.48Å; L141-A160 CarbonylContact C-O 3.57Å; L141-A160 WeakPolarHBondContact CA-O 3.27Å; L141-A160 HydrophobicContact CD2-CB 4.22Å; C142-A160 WeakPolarHBondContact CB-O 3.29Å; C142-A160 PolarHBondContact N-O 3.49Å; A160-G162 PolarHBondContact O-N 2.96Å; A160-E165 HydrophobicContact CB-CB 3.96Å; A160-L166 HydrophobicContact CB-CB 3.97Å; A160-L166 HydrophobicContact CB-CD1 3.79Å |
| 161 | H | 96.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 93.5 Ų | 93.5 | 10% | 0.097 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -79.4 | -5.1 | 173.5 | -69.9 | 167.4 | 0 | 0 | 0 | 113.1 | F145 C151 G154 C157 E165 | F145-H161 HydrophobicContact CB-CB 4.47Å; F145-H161 HydrophobicContact CD1-CB 3.58Å; F145-H161 WeakPolarHBondContact CD1-O 3.49Å; F145-H161 HydrophobicContact CD2-CB 3.91Å; F145-H161 AromaticContact CD2-CD2 3.66Å; F145-H161 AromaticContact CD2-CE1 4Å; F145-H161 AromaticContact CD2-CG 3.54Å; F145-H161 AromaticContact CD2-ND1 3.78Å; F145-H161 AromaticContact CD2-NE2 3.98Å; F145-H161 HydrophobicContact CE1-CB 3.67Å; F145-H161 WeakPolarHBondContact CE1-O 3.4Å; F145-H161 HydrophobicContact CE2-CB 3.99Å; F145-H161 AromaticContact CE2-CG 3.91Å; F145-H161 AromaticContact CE2-ND1 3.93Å; F145-H161 HydrophobicContact CG-CB 3.7Å; F145-H161 AromaticContact CG-CD2 3.54Å; F145-H161 AromaticContact CG-CG 3.61Å; F145-H161 HydrophobicContact CZ-CB 3.87Å; C151-H161 WeakPolarHBondContact CB-NE2 3.45Å; C151-H161 PolarHBondContact SG-NE2 3.01Å; C151-H161 VanDerWaalsContact SG-NE2 3.43Å; G154-H161 PolarHBondContact O-CE1 3.5Å; C157-H161 VanDerWaalsContact CB-NE2 3.29Å; C157-H161 WeakPolarHBondContact CB-NE2 3.33Å; H161-E165 WeakPolarHBondContact CB-OE2 3.15Å; H161-E165 IonicContact CG-OE2 3.85Å; H161-E165 PolarHBondContact N-OE2 3.43Å |
| 162 | G | 94.5 | Very high | 92.2 | Very high | 14 Ų | 14 | 99.2 Ų | 99.2 | 14% | 0.144 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -173.6 | 177.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A160 H164 E165 L166 | A160-G162 PolarHBondContact O-N 2.96Å; G162-H164 PolarHBondContact O-N 3.12Å; G162-H164 VanDerWaalsContact O-N 3.16Å; G162-E165 PolarHBondContact O-N 3.14Å; G162-L166 PolarHBondContact O-N 3.19Å; G162-L166 VanDerWaalsContact O-N 3.17Å |
| 163 | Y | 93 | Very high | 91.6 | Very high | 184 Ų | 184 | 96 Ų | 96 | 72% | 0.722 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.3 | 178.8 | -64.6 | -78.6 | 0 | 0 | 0 | 113.4 | L141 E165 L166 | L141-Y163 HydrophobicContact CD1-CE1 4.05Å; Y163-E165 VanDerWaalsContact C-N 3.27Å; Y163-E165 PolarHBondContact O-N 3.26Å; Y163-L166 HydrophobicContact CD1-CD2 4.08Å; Y163-L166 HydrophobicContact CE1-CD2 4.49Å; Y163-L166 PolarHBondContact O-N 2.99Å |
| 164 | H | 93 | Very high | 91.2 | Very high | 164 Ų | 164 | 95.6 Ų | 95.6 | 76% | 0.759 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.9 | 176.6 | 63.8 | -83.1 | 0 | 0 | 0 | 113 | G162 | G162-H164 PolarHBondContact O-N 3.12Å; G162-H164 VanDerWaalsContact O-N 3.16Å |
| 165 | E | 94.3 | Very high | 90.9 | Very high | 35 Ų | 35 | 96 Ų | 96 | 16% | 0.164 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -10.9 | 176 | -44.4 | -163.1 | 111.7 | 0 | 0 | 113.2 | K138 A160 H161 G162 Y163 R167 | K138-E165 WeakPolarHBondContact CB-O 3.34Å; K138-E165 HydrophobicContact CD-CB 4.1Å; K138-E165 IonicContact NZ-OE1 3.66Å; K138-E165 PolarHBondContact NZ-OE1 3.24Å; K138-E165 IonicContact NZ-OE2 2.77Å; K138-E165 PolarHBondContact NZ-OE2 3.3Å; A160-E165 HydrophobicContact CB-CB 3.96Å; H161-E165 WeakPolarHBondContact CB-OE2 3.15Å; H161-E165 IonicContact CG-OE2 3.85Å; H161-E165 PolarHBondContact N-OE2 3.43Å; G162-E165 PolarHBondContact O-N 3.14Å; Y163-E165 VanDerWaalsContact C-N 3.27Å; Y163-E165 PolarHBondContact O-N 3.26Å; E165-R167 PolarHBondContact O-N 3.27Å |
| 166 | L | 94.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 90.5 Ų | 90.5 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | | | trans | -73.9 | 112.1 | -173.6 | -170.1 | 71.4 | 0 | 0 | 0 | 110.3 | K138 T139 L141 A160 G162 Y163 | K138-L166 CarbonylContact O-C 3.59Å; K138-L166 WeakPolarHBondContact O-CA 3.49Å; T139-L166 VanDerWaalsContact C-CD1 3.45Å; L141-L166 HydrophobicContact CD2-CB 4.48Å; L141-L166 HydrophobicContact CD2-CD1 4.21Å; L141-L166 HydrophobicContact CD2-CD2 4.35Å; L141-L166 HydrophobicContact CG-CD1 4.24Å; L141-L166 HydrophobicContact CG-CD2 4.36Å; A160-L166 HydrophobicContact CB-CB 3.97Å; A160-L166 HydrophobicContact CB-CD1 3.79Å; G162-L166 PolarHBondContact O-N 3.19Å; G162-L166 VanDerWaalsContact O-N 3.17Å; Y163-L166 HydrophobicContact CD1-CD2 4.08Å; Y163-L166 HydrophobicContact CE1-CD2 4.49Å; Y163-L166 PolarHBondContact O-N 2.99Å |
| 167 | R | 90.8 | Very high | 90.5 | Very high | 148 Ų | 148 | 84.8 Ų | 84.8 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | | | trans | -84.3 | 137.6 | 178.9 | -63.6 | -177.1 | 178.9 | 177 | -1.3 | 110.9 | Y137 K138 T139 E165 L169 | Y137-R167 WeakPolarHBondContact O-CD 3.42Å; K138-R167 HydrophobicContact CB-CG 4.44Å; K138-R167 PolarHBondContact O-N 3.4Å; T139-R167 HydrophobicContact CG2-CB 4.22Å; E165-R167 PolarHBondContact O-N 3.27Å; R167-L169 PolarHBondContact O-N 3.22Å |
| 168 | S | 84.3 | Confident | 90.3 | Very high | 113 Ų | 113 | 89.4 Ų | 89.4 | 79% | 0.79 | 44% | 0.439 | S | S | * | . | | | trans | -69.5 | 124.2 | 173.9 | 56.8 | 0 | 0 | 0 | 0 | 111 | T170 | S168-T170 PolarHBondContact O-N 3.3Š|
| 169 | L | 84.9 | Confident | 90.2 | Very high | 50 Ų | 50 | 86.5 Ų | 86.5 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | | | trans | -78.1 | 106.7 | 176 | -139.9 | 78.7 | 0 | 0 | 0 | 110.7 | T135 T139 R167 R171 | T135-L169 WeakPolarHBondContact O-CD1 3.27Å; T139-L169 HydrophobicContact CG2-CD1 3.15Å; T139-L169 WeakPolarHBondContact OG1-CD1 3.49Å; R167-L169 PolarHBondContact O-N 3.22Å; L169-R171 HydrophobicContact CB-CG 4.25Å; L169-R171 HydrophobicContact CD2-CG 3.97Å; L169-R171 HydrophobicContact CG-CG 4.3Å; L169-R171 PolarHBondContact O-N 3.49Å; L169-R171 VanDerWaalsContact O-N 3.1Å |
| 170 | T | 82.7 | Confident | 90.2 | Very high | 141 Ų | 141 | 82 Ų | 82 | 87% | 0.865 | 41% | 0.412 | S | S | * | . | | | trans | -69.7 | 104.4 | 165.6 | -53.1 | 0 | 0 | 0 | 0 | 108.1 | S168 | S168-T170 PolarHBondContact O-N 3.3Š|
| 171 | R | 83.9 | Confident | 90.1 | Very high | 96 Ų | 96 | 92.2 Ų | 92.2 | 36% | 0.362 | 45% | 0.45 | S | S | . | . | | | trans | -99 | 154.6 | 179.7 | -65.4 | -178.3 | -145.2 | -129.4 | 10.7 | 110.4 | L169 Y175 | L169-R171 HydrophobicContact CB-CG 4.25Å; L169-R171 HydrophobicContact CD2-CG 3.97Å; L169-R171 HydrophobicContact CG-CG 4.3Å; L169-R171 PolarHBondContact O-N 3.49Å; L169-R171 VanDerWaalsContact O-N 3.1Å; R171-Y175 HydrophobicContact CB-CD1 4.37Å; R171-Y175 HydrophobicContact CB-CG 4.08Å; R171-Y175 VanDerWaalsContact CD-CG 3.44Å; R171-Y175 HydrophobicContact CG-CD1 4.46Å; R171-Y175 HydrophobicContact CG-CG 4.35Å; R171-Y175 PolarHBondContact NH1-OH 3.32Å |
| 172 | H | 84.1 | Confident | 90 | Very high | 138 Ų | 138 | 93.9 Ų | 93.9 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | | | trans | -56.6 | 143.4 | 172.9 | -170.5 | -90.8 | 0 | 0 | 0 | 110.4 | K174 Y175 | H172-K174 VanDerWaalsContact ND1-CB 3.25Å; H172-K174 WeakPolarHBondContact ND1-CB 3.26Å; H172-K174 PolarHBondContact ND1-N 2.84Å; H172-K174 VanDerWaalsContact ND1-N 3.1Å; H172-K174 PolarHBondContact O-N 3.15Å; H172-Y175 VanDerWaalsContact O-CB 3.26Å; H172-Y175 WeakPolarHBondContact O-CB 3.41Å; H172-Y175 PolarHBondContact O-N 3.12Å |
| 173 | P | 85.1 | Confident | 90.1 | Very high | 114 Ų | 114 | 95.6 Ų | 95.6 | 74% | 0.74 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19 | 179.4 | 20.4 | -34.4 | 0 | 0 | 0 | 114.5 | Y175 T177 | P173-Y175 VanDerWaalsContact C-N 3.29Å; P173-Y175 PolarHBondContact O-N 2.91Å; P173-T177 WeakPolarHBondContact O-CG2 3.25Å |
| 174 | K | 86.2 | Confident | 90.1 | Very high | 136 Ų | 136 | 92.4 Ų | 92.4 | 59% | 0.591 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.7 | 174.5 | -155 | -178.9 | 177 | -171 | 0 | 114.1 | H172 K176 T177 | H172-K174 VanDerWaalsContact ND1-CB 3.25Å; H172-K174 WeakPolarHBondContact ND1-CB 3.26Å; H172-K174 PolarHBondContact ND1-N 2.84Å; H172-K174 VanDerWaalsContact ND1-N 3.1Å; H172-K174 PolarHBondContact O-N 3.15Å; K174-K176 PolarHBondContact O-N 2.89Å; K174-T177 PolarHBondContact O-OG1 2.99Å |
| 175 | Y | 88.8 | Confident | 90.3 | Very high | 37 Ų | 37 | 89.8 Ų | 89.8 | 15% | 0.145 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 128.8 | -179.9 | 179.7 | -101.9 | 0 | 0 | 0 | 111.2 | R171 H172 P173 T177 C195 H196 | R171-Y175 HydrophobicContact CB-CD1 4.37Å; R171-Y175 HydrophobicContact CB-CG 4.08Å; R171-Y175 VanDerWaalsContact CD-CG 3.44Å; R171-Y175 HydrophobicContact CG-CD1 4.46Å; R171-Y175 HydrophobicContact CG-CG 4.35Å; R171-Y175 PolarHBondContact NH1-OH 3.32Å; H172-Y175 VanDerWaalsContact O-CB 3.26Å; H172-Y175 WeakPolarHBondContact O-CB 3.41Å; H172-Y175 PolarHBondContact O-N 3.12Å; P173-Y175 VanDerWaalsContact C-N 3.29Å; P173-Y175 PolarHBondContact O-N 2.91Å; Y175-T177 PolarHBondContact O-N 3.28Å; Y175-C195 PolarHBondContact OH-O 2.9Å; Y175-H196 HydrophobicContact CD2-CB 4.24Å; Y175-H196 AromaticContact CD2-CD2 3.7Å; Y175-H196 HydrophobicContact CE2-CB 4.3Å; Y175-H196 AromaticContact CE2-CD2 3.6Å |
| 176 | K | 89.3 | Confident | 90.3 | Very high | 29 Ų | 29 | 94 Ų | 94 | 13% | 0.126 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.8 | -179 | -69.6 | -170.5 | 177.6 | -141.9 | 0 | 112.7 | K174 H196 I198 E203 | K174-K176 PolarHBondContact O-N 2.89Å; K176-H196 VanDerWaalsContact CA-O 3.29Å; K176-H196 WeakPolarHBondContact CA-O 3.42Å; K176-H196 PolarHBondContact N-O 3.1Å; K176-I198 HydrophobicContact CB-CG1 4.01Å; K176-I198 VanDerWaalsContact O-CD1 3.27Å; K176-I198 WeakPolarHBondContact O-CD1 3.24Å; K176-I198 WeakPolarHBondContact O-CG1 3.45Å; K176-E203 IonicContact NZ-OE1 2.88Å; K176-E203 PolarHBondContact NZ-OE1 3Å; K176-E203 IonicContact NZ-OE2 2.77Å; K176-E203 PolarHBondContact NZ-OE2 3.11Å |
| 177 | T | 90.3 | Very high | 90.2 | Very high | 68 Ų | 68 | 93.9 Ų | 93.9 | 42% | 0.417 | 49% | 0.488 | S | S | . | . | | | trans | -92.2 | -30.2 | 172.5 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | P173 K174 Y175 | P173-T177 WeakPolarHBondContact O-CG2 3.25Å; K174-T177 PolarHBondContact O-OG1 2.99Å; Y175-T177 PolarHBondContact O-N 3.28Å |
| 178 | E | 91.8 | Very high | 90.4 | Very high | 99 Ų | 99 | 93.5 Ų | 93.5 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -111.8 | 147.5 | -177.6 | -69.4 | -178.9 | 176.9 | 0 | 0 | 111.4 | F197 I198 | E178-F197 HydrophobicContact CB-CD1 3.96Å; E178-F197 HydrophobicContact CB-CE1 4.31Å; E178-F197 CarbonylContact O-C 3.46Å; E178-F197 WeakPolarHBondContact O-CA 3.12Å; E178-F197 WeakPolarHBondContact O-CB 3.29Å; E178-I198 PolarHBondContact O-N 3.37Å |
| 179 | P | 94 | Very high | 90.9 | Very high | 71 Ų | 71 | 88.3 Ų | 88.3 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 140.4 | 177.8 | 29.5 | -34.4 | 0 | 0 | 0 | 111.6 | R181 | P179-R181 PolarHBondContact O-N 2.71Å |
| 180 | C | 95.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 90.2 Ų | 90.2 | 3% | 0.034 | 47% | 0.47 | C | S | . | . | | | trans | -72.6 | 112.8 | 176 | -177 | 0 | 0 | 0 | 0 | 109.6 | T182 F183 H184 F197 I198 H199 | C180-T182 PolarHBondContact O-N 2.9Å; C180-F183 HydrophobicContact CB-CB 3.87Å; C180-F183 PolarHBondContact O-N 2.77Å; C180-H184 PolarHBondContact O-CD2 2.88Å; C180-H184 VanDerWaalsContact O-CD2 3.32Å; C180-H184 PolarHBondContact O-N 2.77Å; C180-F197 HydrophobicContact CB-CB 3.61Å; C180-I198 VanDerWaalsContact CB-O 3.28Å; C180-I198 WeakPolarHBondContact CB-O 3.31Å; C180-I198 PolarHBondContact N-O 2.77Å; C180-H199 WeakPolarHBondContact CB-CD2 3.48Å |
| 181 | R | 95.2 | Very high | 91.9 | Very high | 214 Ų | 214 | 90.9 Ų | 90.9 | 81% | 0.808 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -56.1 | -50.5 | 178.2 | -64.3 | -174 | -179 | 173.5 | 0.1 | 111.4 | P179 F183 H184 T185 | P179-R181 PolarHBondContact O-N 2.71Å; R181-F183 PolarHBondContact O-N 3.43Å; R181-H184 PolarHBondContact O-N 2.99Å; R181-H184 VanDerWaalsContact O-N 3.17Å; R181-T185 WeakPolarHBondContact O-CB 3.36Å; R181-T185 WeakPolarHBondContact O-CG2 3.31Å; R181-T185 PolarHBondContact O-N 3.15Å; R181-T185 PolarHBondContact O-OG1 2.81Å |
| 182 | T | 94.7 | Very high | 92.2 | Very high | 56 Ų | 56 | 87.5 Ų | 87.5 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | -177.7 | -45.3 | 0 | 0 | 0 | 0 | 112.8 | C180 T185 I186 | C180-T182 PolarHBondContact O-N 2.9Å; T182-T185 PolarHBondContact O-OG1 3.47Å; T182-I186 HydrophobicContact CG2-CD1 3.73Å; T182-I186 HydrophobicContact CG2-CG1 4.41Å; T182-I186 VanDerWaalsContact O-CB 3.27Å; T182-I186 WeakPolarHBondContact O-CB 3.27Å; T182-I186 WeakPolarHBondContact O-CG1 3.17Å; T182-I186 PolarHBondContact O-N 3.5Å |
| 183 | F | 95.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 85.5 Ų | 85.5 | 22% | 0.219 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.3 | -173.5 | -97.9 | 0 | 0 | 0 | 111.7 | C180 R181 G187 C189 H199 | C180-F183 HydrophobicContact CB-CB 3.87Å; C180-F183 PolarHBondContact O-N 2.77Å; R181-F183 PolarHBondContact O-N 3.43Å; F183-G187 CarbonylContact O-C 3.51Å; F183-G187 WeakPolarHBondContact O-CA 3.41Å; F183-G187 PolarHBondContact O-N 3.32Å; F183-C189 HydrophobicContact CB-CB 4Å; F183-C189 HydrophobicContact CD2-CB 4.17Å; F183-H199 HydrophobicContact CB-CB 4.4Å; F183-H199 VanDerWaalsContact CB-CD2 3.43Å; F183-H199 WeakPolarHBondContact CB-CD2 3.36Å; F183-H199 HydrophobicContact CD1-CB 3.64Å; F183-H199 WeakPolarHBondContact CD1-O 3.28Å; F183-H199 HydrophobicContact CD2-CB 3.97Å; F183-H199 AromaticContact CD2-CG 3.77Å; F183-H199 HydrophobicContact CE1-CB 3.8Å; F183-H199 WeakPolarHBondContact CE1-O 3.27Å; F183-H199 HydrophobicContact CE2-CB 4.12Å; F183-H199 HydrophobicContact CG-CB 3.72Å; F183-H199 AromaticContact CG-CD2 3.68Å; F183-H199 AromaticContact CG-CG 3.65Å; F183-H199 HydrophobicContact CZ-CB 4.04Å |
| 184 | H | 93.9 | Very high | 92.6 | Very high | 117 Ų | 117 | 87.5 Ų | 87.5 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -77.5 | -22.1 | -178.7 | -79.8 | -81.7 | 0 | 0 | 0 | 114.2 | C180 R181 H199 | C180-H184 PolarHBondContact O-CD2 2.88Å; C180-H184 VanDerWaalsContact O-CD2 3.32Å; C180-H184 PolarHBondContact O-N 2.77Å; R181-H184 PolarHBondContact O-N 2.99Å; R181-H184 VanDerWaalsContact O-N 3.17Å; H184-H199 PolarHBondContact NE2-O 3.32Å |
| 185 | T | 95.5 | Very high | 93 | Very high | 110 Ų | 110 | 81.3 Ų | 81.3 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -91.4 | -38.1 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 113 | R181 T182 | R181-T185 WeakPolarHBondContact O-CB 3.36Å; R181-T185 WeakPolarHBondContact O-CG2 3.31Å; R181-T185 PolarHBondContact O-N 3.15Å; R181-T185 PolarHBondContact O-OG1 2.81Å; T182-T185 PolarHBondContact O-OG1 3.47Å |
| 186 | I | 94.6 | Very high | 93.1 | Very high | 124 Ų | 124 | 85.6 Ų | 85.6 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -104 | -16.6 | -173.9 | -49.7 | -179.3 | 0 | 0 | 0 | 111.3 | T182 F188 | T182-I186 HydrophobicContact CG2-CD1 3.73Å; T182-I186 HydrophobicContact CG2-CG1 4.41Å; T182-I186 VanDerWaalsContact O-CB 3.27Å; T182-I186 WeakPolarHBondContact O-CB 3.27Å; T182-I186 WeakPolarHBondContact O-CG1 3.17Å; T182-I186 PolarHBondContact O-N 3.5Å; I186-F188 PolarHBondContact O-N 2.99Å |
| 187 | G | 92.5 | Very high | 93.3 | Very high | 56 Ų | 56 | 88.8 Ų | 88.8 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 79.4 | -3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F183 | F183-G187 CarbonylContact O-C 3.51Å; F183-G187 WeakPolarHBondContact O-CA 3.41Å; F183-G187 PolarHBondContact O-N 3.32Å |
| 188 | F | 94.1 | Very high | 93.4 | Very high | 139 Ų | 139 | 85.8 Ų | 85.8 | 61% | 0.61 | 44% | 0.435 | S | S | * | . | | | trans | -143.5 | 139.8 | -175.9 | 175.2 | -103 | 0 | 0 | 0 | 111.3 | I186 P190 | I186-F188 PolarHBondContact O-N 2.99Å; F188-P190 HydrophobicContact CE1-CB 4.31Å |
| 189 | C | 95.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 81.8 Ų | 81.8 | 3% | 0.027 | 42% | 0.416 | C | S | . | . | | | trans | -125.3 | 123.1 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | F183 Y191 G192 H199 | F183-C189 HydrophobicContact CB-CB 4Å; F183-C189 HydrophobicContact CD2-CB 4.17Å; C189-Y191 PolarHBondContact O-N 3.47Å; C189-Y191 VanDerWaalsContact O-N 3.11Å; C189-G192 PolarHBondContact O-N 3.47Å; C189-H199 WeakPolarHBondContact CB-CE1 3.43Å; C189-H199 WeakPolarHBondContact CB-NE2 3.06Å; C189-H199 PolarHBondContact SG-CE1 3.22Å; C189-H199 PolarHBondContact SG-NE2 2.8Å |
| 190 | P | 94.9 | Very high | 92.9 | Very high | 90 Ų | 90 | 82.5 Ų | 82.5 | 58% | 0.584 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.2 | -177.6 | 27.8 | -35.8 | 0 | 0 | 0 | 113.1 | F188 | F188-P190 HydrophobicContact CE1-CB 4.31Š|
| 191 | Y | 92.6 | Very high | 91.5 | Very high | 156 Ų | 156 | 85.8 Ų | 85.8 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.2 | 176.4 | -57.4 | -71.9 | 0 | 0 | 0 | 113.2 | C189 R194 | C189-Y191 PolarHBondContact O-N 3.47Å; C189-Y191 VanDerWaalsContact O-N 3.11Å; Y191-R194 WeakPolarHBondContact O-CB 3.28Å; Y191-R194 PolarHBondContact O-N 3.21Å; Y191-R194 VanDerWaalsContact O-N 3.13Å |
| 192 | G | 90.9 | Very high | 90.1 | Very high | 24 Ų | 24 | 82.8 Ų | 82.8 | 25% | 0.247 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | 50.1 | -133.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C189 R194 C195 H199 | C189-G192 PolarHBondContact O-N 3.47Å; G192-R194 PolarHBondContact O-N 3.13Å; G192-R194 VanDerWaalsContact O-N 3.15Å; G192-C195 VanDerWaalsContact O-CB 3.22Å; G192-C195 WeakPolarHBondContact O-CB 3.38Å; G192-C195 PolarHBondContact O-N 3.32Å; G192-C195 VanDerWaalsContact O-N 3.08Å; G192-H199 PolarHBondContact O-CE1 2.87Å |
| 193 | P | 89.4 | Confident | 88.5 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 62% | 0.623 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -68.2 | -15.3 | -176.8 | 29.4 | -35.8 | 0 | 0 | 0 | 113.6 | C195 | P193-C195 VanDerWaalsContact C-N 3.25Å; P193-C195 PolarHBondContact O-N 3.41Å |
| 194 | R | 88.9 | Confident | 86.8 | Confident | 156 Ų | 156 | 88.3 Ų | 88.3 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -82.9 | -4.4 | 176.7 | -59.3 | -174.2 | -61.4 | -168 | 0.2 | 112.6 | Y191 G192 H196 | Y191-R194 WeakPolarHBondContact O-CB 3.28Å; Y191-R194 PolarHBondContact O-N 3.21Å; Y191-R194 VanDerWaalsContact O-N 3.13Å; G192-R194 PolarHBondContact O-N 3.13Å; G192-R194 VanDerWaalsContact O-N 3.15Å; R194-H196 PolarHBondContact O-N 3.2Å |
| 195 | C | 93.2 | Very high | 85.1 | Confident | 6 Ų | 6 | 89.9 Ų | 89.9 | 4% | 0.041 | 46% | 0.461 | C | S | . | . | | | trans | -57.5 | 138.4 | 173.9 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | Y175 G192 P193 F197 H199 | Y175-C195 PolarHBondContact OH-O 2.9Å; G192-C195 VanDerWaalsContact O-CB 3.22Å; G192-C195 WeakPolarHBondContact O-CB 3.38Å; G192-C195 PolarHBondContact O-N 3.32Å; G192-C195 VanDerWaalsContact O-N 3.08Å; P193-C195 VanDerWaalsContact C-N 3.25Å; P193-C195 PolarHBondContact O-N 3.41Å; C195-F197 VanDerWaalsContact C-N 3.25Å; C195-F197 PolarHBondContact SG-N 3.37Å; C195-H199 WeakPolarHBondContact CB-CE1 3.22Å; C195-H199 VanDerWaalsContact CB-NE2 3.28Å; C195-H199 WeakPolarHBondContact CB-NE2 2.97Å; C195-H199 PolarHBondContact SG-NE2 3.23Å |
| 196 | H | 91.9 | Very high | 82.8 | Confident | 128 Ų | 128 | 90 Ų | 90 | 59% | 0.593 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -83.2 | -5.2 | 176.5 | -60 | 121.2 | 0 | 0 | 0 | 113 | Y175 K176 R194 | Y175-H196 HydrophobicContact CD2-CB 4.24Å; Y175-H196 AromaticContact CD2-CD2 3.7Å; Y175-H196 HydrophobicContact CE2-CB 4.3Å; Y175-H196 AromaticContact CE2-CD2 3.6Å; K176-H196 VanDerWaalsContact CA-O 3.29Å; K176-H196 WeakPolarHBondContact CA-O 3.42Å; K176-H196 PolarHBondContact N-O 3.1Å; R194-H196 PolarHBondContact O-N 3.2Å |
| 197 | F | 93.5 | Very high | 80.2 | Confident | 96 Ų | 96 | 88.1 Ų | 88.1 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -111.3 | 160.7 | -179.8 | -58.7 | -80.5 | 0 | 0 | 0 | 110.5 | E178 C180 C195 | E178-F197 HydrophobicContact CB-CD1 3.96Å; E178-F197 HydrophobicContact CB-CE1 4.31Å; E178-F197 CarbonylContact O-C 3.46Å; E178-F197 WeakPolarHBondContact O-CA 3.12Å; E178-F197 WeakPolarHBondContact O-CB 3.29Å; C180-F197 HydrophobicContact CB-CB 3.61Å; C195-F197 VanDerWaalsContact C-N 3.25Å; C195-F197 PolarHBondContact SG-N 3.37Å |
| 198 | I | 92.3 | Very high | 78 | Confident | 5 Ų | 5 | 90.5 Ų | 90.5 | 3% | 0.026 | 47% | 0.472 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 130.7 | -175.8 | -53.7 | 162.1 | 0 | 0 | 0 | 109.7 | K176 E178 C180 N200 R204 | K176-I198 HydrophobicContact CB-CG1 4.01Å; K176-I198 VanDerWaalsContact O-CD1 3.27Å; K176-I198 WeakPolarHBondContact O-CD1 3.24Å; K176-I198 WeakPolarHBondContact O-CG1 3.45Å; E178-I198 PolarHBondContact O-N 3.37Å; C180-I198 VanDerWaalsContact CB-O 3.28Å; C180-I198 WeakPolarHBondContact CB-O 3.31Å; C180-I198 PolarHBondContact N-O 2.77Å; I198-N200 WeakPolarHBondContact CG2-O 3.02Å; I198-R204 HydrophobicContact CD1-CG 4.18Å; I198-R204 HydrophobicContact CG2-CG 4.37Å |
| 199 | H | 91.9 | Very high | 75.6 | Confident | 15 Ų | 15 | 89.8 Ų | 89.8 | 7% | 0.069 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -97.8 | -50.6 | 172.1 | -69.4 | 170 | 0 | 0 | 0 | 112 | C180 F183 H184 C189 G192 C195 E203 | C180-H199 WeakPolarHBondContact CB-CD2 3.48Å; F183-H199 HydrophobicContact CB-CB 4.4Å; F183-H199 VanDerWaalsContact CB-CD2 3.43Å; F183-H199 WeakPolarHBondContact CB-CD2 3.36Å; F183-H199 HydrophobicContact CD1-CB 3.64Å; F183-H199 WeakPolarHBondContact CD1-O 3.28Å; F183-H199 HydrophobicContact CD2-CB 3.97Å; F183-H199 AromaticContact CD2-CG 3.77Å; F183-H199 HydrophobicContact CE1-CB 3.8Å; F183-H199 WeakPolarHBondContact CE1-O 3.27Å; F183-H199 HydrophobicContact CE2-CB 4.12Å; F183-H199 HydrophobicContact CG-CB 3.72Å; F183-H199 AromaticContact CG-CD2 3.68Å; F183-H199 AromaticContact CG-CG 3.65Å; F183-H199 HydrophobicContact CZ-CB 4.04Å; H184-H199 PolarHBondContact NE2-O 3.32Å; C189-H199 WeakPolarHBondContact CB-CE1 3.43Å; C189-H199 WeakPolarHBondContact CB-NE2 3.06Å; C189-H199 PolarHBondContact SG-CE1 3.22Å; C189-H199 PolarHBondContact SG-NE2 2.8Å; G192-H199 PolarHBondContact O-CE1 2.87Å; C195-H199 WeakPolarHBondContact CB-CE1 3.22Å; C195-H199 VanDerWaalsContact CB-NE2 3.28Å; C195-H199 WeakPolarHBondContact CB-NE2 2.97Å; C195-H199 PolarHBondContact SG-NE2 3.23Å; H199-E203 PolarHBondContact N-OE2 2.9Å |
| 200 | N | 83.9 | Confident | 73.3 | Confident | 85 Ų | 85 | 94.1 Ų | 94.1 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -115.5 | 151.1 | 176.1 | -90.3 | 0.2 | 0 | 0 | 0 | 111.7 | I198 D202 E203 | I198-N200 WeakPolarHBondContact CG2-O 3.02Å; N200-D202 PolarHBondContact O-N 3.47Å; N200-E203 HydrophobicContact CB-CG 4.43Å; N200-E203 WeakPolarHBondContact O-CB 3.5Å; N200-E203 PolarHBondContact O-N 3.15Å |
| 201 | A | 66.4 | Low | 71.2 | Confident | 74 Ų | 74 | 97.6 Ų | 97.6 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -57.8 | -31.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E203 R204 | A201-E203 VanDerWaalsContact C-N 3.27Å; A201-E203 PolarHBondContact O-N 3.24Å; A201-R204 VanDerWaalsContact O-CB 3.31Å; A201-R204 WeakPolarHBondContact O-CB 3.35Å; A201-R204 WeakPolarHBondContact O-CG 3.44Å; A201-R204 PolarHBondContact O-N 3.1Å |
| 202 | D | 65.6 | Low | 68.7 | Low | 152 Ų | 152 | 94.9 Ų | 94.9 | 81% | 0.813 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -69.1 | -20.6 | 176.6 | -53.3 | -56.2 | 0 | 0 | 0 | 113.6 | N200 R204 | N200-D202 PolarHBondContact O-N 3.47Å; D202-R204 PolarHBondContact O-N 3.08Å |
| 203 | E | 61.8 | Low | 66.4 | Low | 68 Ų | 68 | 100.1 Ų | 100.1 | 32% | 0.318 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -81.8 | 0.1 | 174.8 | -62.2 | -166.2 | 125.7 | 0 | 0 | 113.2 | K176 H199 N200 A201 R205 | K176-E203 IonicContact NZ-OE1 2.88Å; K176-E203 PolarHBondContact NZ-OE1 3Å; K176-E203 IonicContact NZ-OE2 2.77Å; K176-E203 PolarHBondContact NZ-OE2 3.11Å; H199-E203 PolarHBondContact N-OE2 2.9Å; N200-E203 HydrophobicContact CB-CG 4.43Å; N200-E203 WeakPolarHBondContact O-CB 3.5Å; N200-E203 PolarHBondContact O-N 3.15Å; A201-E203 VanDerWaalsContact C-N 3.27Å; A201-E203 PolarHBondContact O-N 3.24Å; E203-R205 PolarHBondContact O-N 3.3Å |
| 204 | R | 59.2 | Low | 64.2 | Low | 154 Ų | 154 | 102.2 Ų | 102.2 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | | | trans | -64.5 | 91.5 | 171.1 | -74.6 | -177.7 | 179.7 | -90.5 | 1.2 | 107.8 | I198 A201 D202 P206 | I198-R204 HydrophobicContact CD1-CG 4.18Å; I198-R204 HydrophobicContact CG2-CG 4.37Å; A201-R204 VanDerWaalsContact O-CB 3.31Å; A201-R204 WeakPolarHBondContact O-CB 3.35Å; A201-R204 WeakPolarHBondContact O-CG 3.44Å; A201-R204 PolarHBondContact O-N 3.1Å; D202-R204 PolarHBondContact O-N 3.08Å; R204-P206 WeakPolarHBondContact O-CD 3.27Å; R204-P206 VanDerWaalsContact O-N 3.08Å |
| 205 | R | 58.7 | Low | 62.2 | Low | 150 Ų | 150 | 102.9 Ų | 102.9 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 119.7 | 172.6 | -158.1 | -161.8 | -75.3 | -166.7 | -4.1 | 106.6 | E203 A207 | E203-R205 PolarHBondContact O-N 3.3Å; R205-A207 PolarHBondContact O-N 3.32Å |
| 206 | P | 46 | Very low | 59.5 | Low | 113 Ų | 113 | 107.6 Ų | 107.6 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.8 | 167.4 | 22.4 | -29.3 | 0 | 0 | 0 | 106.3 | R204 | R204-P206 WeakPolarHBondContact O-CD 3.27Å; R204-P206 VanDerWaalsContact O-N 3.08Å |
| 207 | A | 40.4 | Very low | 56.9 | Low | 84 Ų | 84 | 106.2 Ų | 106.2 | 69% | 0.694 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 136.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | R205 | R205-A207 PolarHBondContact O-N 3.32Š|
| 208 | P | 46.2 | Very low | 54.2 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 69% | 0.688 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 131.2 | 172.7 | 23.2 | -30.2 | 0 | 0 | 0 | 107.7 | A210 | P208-A210 PolarHBondContact O-N 3.06Š|
| 209 | P | 44.5 | Very low | 51.8 | Low | 123 Ų | 123 | 118.1 Ų | 118.1 | 80% | 0.799 | 69% | 0.69 | S | S | * | * | | | trans | -59.8 | 115.8 | 179.1 | 24.5 | -32.3 | 0 | 0 | 0 | 107.8 | N211 | P209-N211 PolarHBondContact O-N 3.17Å; P209-N211 VanDerWaalsContact O-N 3.11Å |
| 210 | A | 47.7 | Very low | 49.2 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | -63.1 | 113.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107 | P208 A212 | P208-A210 PolarHBondContact O-N 3.06Å; A210-A212 PolarHBondContact O-N 3.37Å |
| 211 | N | 49.6 | Very low | 46.7 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | | | trans | 16.4 | 91.3 | 166.1 | -96.4 | -12.2 | 0 | 0 | 0 | 116 | P209 | P209-N211 PolarHBondContact O-N 3.17Å; P209-N211 VanDerWaalsContact O-N 3.11Å |
| 212 | A | 40.4 | Very low | 45.2 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | -112 | 87.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | A210 | A210-A212 PolarHBondContact O-N 3.37Š|
| 213 | N | 43.8 | Very low | 44 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | trans | -92.6 | 96.6 | 161.9 | 179.9 | 20.9 | 0 | 0 | 0 | 107.5 | | |
| 214 | V | 42.9 | Very low | 43.5 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -148.9 | 128.8 | 147.2 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 215 | Q | 46.5 | Very low | 42.5 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -68.8 | 170.8 | 177.7 | -64.6 | 159.6 | -19.8 | 0 | 0 | 112.8 | | |
| 216 | A | 35.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | 97.5 | 127 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 217 | A | 37 | Very low | 41.4 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | cis | -155.6 | 145.4 | 11.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 218 | E | 38.1 | Very low | 41.3 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -71 | 162.7 | 159.3 | -89.5 | -169.2 | 97.4 | 0 | 0 | 111.6 | | |
| 219 | H | 42.2 | Very low | 41.3 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | | | trans | 81.6 | 93.7 | 165 | -92.2 | -87.4 | 0 | 0 | 0 | 119.8 | | |
| 220 | R | 35.8 | Very low | 41.4 | Very low | 241 Ų | 241 | 151.1 Ų | 151.1 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | | -178.7 | 136.9 | 103.2 | -109.8 | -173.8 | 164.7 | 177.8 | -3.6 | 112.3 | | |
| 221 | G | 32.6 | Very low | 40.9 | Very low | 71 Ų | 71 | 156.4 Ų | 156.4 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | trans | -86.5 | 179.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 222 | Y | 33.6 | Very low | 40.7 | Very low | 224 Ų | 224 | 156.9 Ų | 156.9 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | | | trans | 94.3 | 85.7 | 170.8 | -107.7 | -94.2 | 0 | 0 | 0 | 119.5 | | |
| 223 | S | 40.4 | Very low | 40.8 | Very low | 99 Ų | 99 | 159.2 Ų | 159.2 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | | | | 60.4 | 161.7 | 113 | 110.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 224 | P | 52.8 | Low | 40.5 | Very low | 118 Ų | 118 | 161 Ų | 161 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | | | | -112 | 156.9 | -126.9 | 40.5 | -30.9 | 0 | 0 | 0 | 115.2 | | |
| 225 | Q | 37.1 | Very low | 40.7 | Very low | 194 Ų | 194 | 158.9 Ų | 158.9 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | | | trans | -143.7 | 128.7 | 156.3 | -122.7 | -179.2 | -1.1 | 0 | 0 | 112.6 | | |
| 226 | Q | 44 | Very low | 40.8 | Very low | 175 Ų | 175 | 158.9 Ų | 158.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -48.3 | 133.7 | 166.3 | -63.1 | 159.1 | -3.2 | 0 | 0 | 110.4 | | |
| 227 | Q | 38.7 | Very low | 41.3 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | | 168.1 | 135 | 123.5 | -97.8 | 173.1 | -4.6 | 0 | 0 | 113 | | |
| 228 | L | 37.9 | Very low | 41.7 | Very low | 157 Ų | 157 | 164.5 Ų | 164.5 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | trans | 87.5 | 109 | 147.7 | -60.1 | 157.6 | 0 | 0 | 0 | 119.1 | | |
| 229 | R | 45.3 | Very low | 42 | Very low | 236 Ų | 236 | 160.9 Ų | 160.9 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | | | trans | -26.5 | 136.3 | 154.5 | -87.8 | 176.1 | 161.8 | 149.8 | -5.8 | 114 | K231 | R229-K231 PolarHBondContact O-N 3.41Š|
| 230 | P | 48.2 | Very low | 41.6 | Very low | 134 Ų | 134 | 155.2 Ų | 155.2 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | -75.5 | 113.7 | 158.9 | -10.4 | 27.1 | 0 | 0 | 0 | 110.1 | | |
| 231 | K | 36.5 | Very low | 41.7 | Very low | 205 Ų | 205 | 153.7 Ų | 153.7 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -71.8 | 123 | 165 | -106.7 | 174.6 | 172.6 | 172.7 | 0 | 108.5 | R229 H233 | R229-K231 PolarHBondContact O-N 3.41Å; K231-H233 PolarHBondContact O-N 3.37Å |
| 232 | L | 45.8 | Very low | 41.9 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -80.6 | 107.8 | 168 | -124.5 | 165.1 | 0 | 0 | 0 | 107.9 | | |
| 233 | H | 41.2 | Very low | 42.3 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | | | trans | -145.2 | 115.4 | 165.4 | -136.1 | -106.7 | 0 | 0 | 0 | 107.4 | K231 | K231-H233 PolarHBondContact O-N 3.37Š|
| 234 | H | 38.3 | Very low | 42.5 | Very low | 171 Ų | 171 | 153 Ų | 153 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | | 179.8 | 103.1 | 127 | -83.6 | 122.1 | 0 | 0 | 0 | 107.9 | | |
| 235 | S | 48 | Very low | 41.9 | Very low | 95 Ų | 95 | 155.3 Ų | 155.3 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | | | trans | -53.6 | 143.8 | 142.6 | 41 | 0 | 0 | 0 | 0 | 109.1 | | |
| 236 | L | 48.4 | Very low | 41.7 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | | -179.2 | 126 | 127.1 | -89.1 | 177.5 | 0 | 0 | 0 | 109.1 | | |
| 237 | S | 46.3 | Very low | 41.5 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -60.7 | 142.1 | 171.1 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 238 | F | 44 | Very low | 41.1 | Very low | 202 Ų | 202 | 148.7 Ų | 148.7 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | | | trans | -137.5 | 122.7 | 154.1 | -168.8 | -101.1 | 0 | 0 | 0 | 110 | | |
| 239 | S | 45.1 | Very low | 41.2 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -86.8 | 154.3 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 240 | G | 33.9 | Very low | 41.3 | Very low | 54 Ų | 54 | 138.6 Ų | 138.6 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | | | trans | 128 | 116 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 241 | F | 37.7 | Very low | 40.8 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | | -141.9 | 140.5 | 53.4 | -60 | -85.8 | 0 | 0 | 0 | 112.6 | | |
| 242 | S | 36.2 | Very low | 41.2 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -76.9 | 140.1 | 165.7 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 243 | T | 42.1 | Very low | 40.7 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | | | trans | -143.4 | 141.3 | 140 | -54.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 244 | H | 44.8 | Very low | 40.5 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | | | trans | -114.9 | 178.8 | -155.2 | 44.5 | -87.3 | 0 | 0 | 0 | 110.3 | | |
| 245 | H | 40.3 | Very low | 41.3 | Very low | 166 Ų | 166 | 132 Ų | 132 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | 96.6 | 100.7 | -177.6 | -61.9 | -67.9 | 0 | 0 | 0 | 112.5 | | |
| 246 | G | 33 | Very low | 40.7 | Very low | 66 Ų | 66 | 134.6 Ų | 134.6 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | cis | 86.7 | 117.9 | 44.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 247 | L | 39.2 | Very low | 40.1 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | | -158.7 | 145.1 | 77.9 | -68.3 | 174.7 | 0 | 0 | 0 | 112.1 | | |
| 248 | E | 31.6 | Very low | 39.8 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 56.7 | 129 | 139.6 | -79.1 | -83.1 | 119.1 | 0 | 0 | 118.5 | | |
| 249 | S | 39.5 | Very low | 39.9 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 57% | 0.573 | 77% | 0.769 | S | S | * | * | | | cis | -179.7 | -171.2 | 21.3 | -137.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 250 | P | 47 | Very low | 40.5 | Very low | 99 Ų | 99 | 135 Ų | 135 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | | -117.1 | 168.6 | -120.1 | 9.4 | 17.7 | 0 | 0 | 0 | 115.9 | | |
| 251 | L | 38.5 | Very low | 41.7 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 52.4 | 117.8 | 142.2 | -60.9 | 170.2 | 0 | 0 | 0 | 119 | | |
| 252 | L | 44.5 | Very low | 42.5 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | | | | -154.2 | 150.6 | 123.5 | -84.7 | -165.6 | 0 | 0 | 0 | 111.7 | | |
| 253 | D | 34.7 | Very low | 43.2 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -87.1 | 149.4 | -161.5 | -151.7 | -99 | 0 | 0 | 0 | 112.6 | | |
| 254 | S | 37.8 | Very low | 43.2 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 84.9 | 156.4 | 143 | -84.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 255 | P | 55.4 | Low | 42.7 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | | | trans | -118.1 | 170.7 | -140.3 | 43.1 | -32.4 | 0 | 0 | 0 | 114.5 | | |
| 256 | T | 35.2 | Very low | 42.4 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | | | trans | 168.9 | 152 | 156.2 | 26.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 257 | S | 36.2 | Very low | 42.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | cis | -158.5 | 155.1 | 12.2 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 258 | R | 39.3 | Very low | 42.3 | Very low | 230 Ų | 230 | 131.1 Ų | 131.1 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | trans | -76 | 148.2 | 175.8 | -67.2 | 168.8 | 156.7 | -171.7 | -6.5 | 111.8 | | |
| 259 | T | 45.3 | Very low | 42.2 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -145.9 | 132.1 | 140.9 | 28.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 260 | P | 58 | Low | 42 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 165.3 | -176 | 37.2 | -34.2 | 0 | 0 | 0 | 114.5 | | |
| 261 | P | 59.8 | Low | 41.5 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84 | 164.1 | 170.7 | 34.7 | -33.5 | 0 | 0 | 0 | 113.3 | | |
| 262 | P | 53.8 | Low | 41.4 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 155.6 | -165.7 | 32.7 | -36 | 0 | 0 | 0 | 114.6 | | |
| 263 | P | 52.2 | Low | 41 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 135.7 | -177.4 | 32.7 | -32.9 | 0 | 0 | 0 | 113.6 | | |
| 264 | T | 41.3 | Very low | 41.1 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 131.2 | 163.8 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | A266 | T264-A266 PolarHBondContact O-N 2.93Š|
| 265 | S | 33.9 | Very low | 41 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -66.4 | 115.2 | -179 | -14.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 266 | A | 33.9 | Very low | 40.1 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | | | trans | -121.2 | 110.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | T264 | T264-A266 PolarHBondContact O-N 2.93Š|
| 267 | S | 35.2 | Very low | 40.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -111.2 | 95.4 | 172 | -54.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 268 | S | 34.3 | Very low | 40 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -78.5 | 117.3 | 161.3 | -60.1 | 0 | 0 | 0 | 0 | 108 | | |
| 269 | C | 31 | Very low | 39.8 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | -87.6 | 113.7 | 171.6 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 270 | T | 34.4 | Very low | 39.5 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -91.1 | 134.9 | 160 | 24.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 271 | S | 37.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -67.4 | 137.7 | 178.2 | 29.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 272 | A | 35.9 | Very low | 37.5 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | -158.9 | 150.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 273 | S | 35.8 | Very low | 36.7 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -80.7 | 153.4 | -154 | 47.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 274 | S | 37.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -3.9 | 136.3 | 149.5 | -39.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 275 | F | 35.5 | Very low | 36.1 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | | | trans | -170.9 | 124.8 | 130.5 | -86.9 | -63.5 | 0 | 0 | 0 | 111.8 | | |
| 276 | Y | 37.1 | Very low | 36.5 | Very low | 206 Ų | 206 | 130.1 Ų | 130.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | 74 | 138.7 | 156.4 | -80 | -83 | 0 | 0 | 0 | 125.4 | | |
| 277 | D | 37.2 | Very low | 36.4 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | | | trans | -23.8 | 145.8 | 176.3 | -81.2 | -94.9 | 0 | 0 | 0 | 121.8 | | |
| 278 | D | 31.6 | Very low | 36.4 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | | | | -178.5 | 113.4 | 104.7 | -136 | -87.6 | 0 | 0 | 0 | 113.5 | | |
| 279 | V | 35.3 | Very low | 36.3 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 60% | 0.6 | 80% | 0.804 | S | S | * | * | | | trans | 32.1 | 121.5 | 132.6 | -163 | 0 | 0 | 0 | 0 | 123.1 | | |
| 280 | L | 37.5 | Very low | 36.6 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | 62.9 | 98.1 | 146.7 | -64.6 | 164.6 | 0 | 0 | 0 | 122.8 | | |
| 281 | S | 35.1 | Very low | 36.7 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | | 174.8 | 143 | 119.5 | -94.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 282 | P | 41.6 | Very low | 37 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -100.5 | 111.7 | -175.7 | 35 | -24.7 | 0 | 0 | 0 | 111.5 | | |
| 283 | S | 36.5 | Very low | 36.9 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -169.8 | 89.5 | 162.9 | -76.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 284 | S | 35.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -172 | 109.6 | 147 | 34.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 285 | M | 45.3 | Very low | 37.5 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -69.3 | 134.6 | 164.8 | -70.4 | -78.2 | 161.8 | 0 | 0 | 109.7 | | |
| 286 | P | 42.2 | Very low | 37.9 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | | | trans | -94.3 | 121.9 | 150.5 | 29.5 | -20.5 | 0 | 0 | 0 | 109.1 | I288 | P286-I288 PolarHBondContact O-N 2.82Š|
| 287 | C | 32.2 | Very low | 38.1 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | | | trans | -59.6 | 115.5 | 173.6 | 33.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 288 | I | 35.8 | Very low | 38.1 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | | | trans | -87.6 | 127.5 | 170.4 | -22.7 | 168.9 | 0 | 0 | 0 | 107.1 | P286 | P286-I288 PolarHBondContact O-N 2.82Š|
| 289 | N | 32.9 | Very low | 38.4 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -149.4 | 90.5 | 154.1 | -105.2 | -14.9 | 0 | 0 | 0 | 108.5 | | |
| 290 | S | 37.5 | Very low | 38.5 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | | | trans | -148.7 | 102.1 | 152.3 | -74.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 291 | A | 36 | Very low | 38.4 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 63% | 0.628 | 82% | 0.815 | S | S | * | * | | | trans | -70 | 147.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 292 | F | 43.7 | Very low | 38.8 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | 84.4 | 80.9 | 167.9 | -47.7 | -71.2 | 0 | 0 | 0 | 117.1 | | |
| 293 | S | 33.8 | Very low | 38.6 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -153 | 115.4 | 140.9 | -84 | 0 | 0 | 0 | 0 | 109.5 | | |
| 294 | F | 38.5 | Very low | 38.8 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 129.2 | 168.5 | -81.9 | -85.1 | 0 | 0 | 0 | 108.9 | | |
| 295 | P | 48 | Very low | 39 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 131.1 | 151.1 | 32.3 | -21.1 | 0 | 0 | 0 | 109.2 | | |
| 296 | G | 42.5 | Very low | 38.3 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 150.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 297 | Q | 41.6 | Very low | 38.1 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | | | trans | -149.9 | 134.8 | 141.2 | -74.7 | -150.9 | -15 | 0 | 0 | 109.8 | | |
| 298 | D | 37.1 | Very low | 38.4 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -57.8 | 149.5 | 164.9 | -70.2 | -62 | 0 | 0 | 0 | 112 | | |
| 299 | L | 39 | Very low | 38.1 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | | 169.4 | 106.5 | 115.3 | -86.2 | 161.8 | 0 | 0 | 0 | 111.3 | | |
| 300 | K | 35.6 | Very low | 38.4 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | | 46.8 | 97.3 | 122.9 | -157.6 | 164.4 | -169.8 | 172.6 | 0 | 117.7 | | |
| 301 | A | 36.1 | Very low | 38.8 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | | | | 156.9 | 100.3 | 118.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 302 | L | 44 | Very low | 38.7 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | | | trans | -141.1 | 137.3 | 135.5 | -78.3 | -174.6 | 0 | 0 | 0 | 109.2 | | |
| 303 | L | 37.9 | Very low | 38.1 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -58.2 | 128.2 | -167.4 | -83.1 | 46.7 | 0 | 0 | 0 | 114.7 | | |
| 304 | A | 39.6 | Very low | 38.1 | Very low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | | | | 63.8 | 152 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 305 | P | 39.3 | Very low | 37.9 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | -98.6 | 138.7 | -156.7 | 36 | -27.7 | 0 | 0 | 0 | 113.5 | | |
| 306 | L | 31.5 | Very low | 37.2 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 97% | 0.974 | 81% | 0.811 | S | S | * | * | | | trans | -95.7 | 96.3 | 166 | -68.1 | 174.8 | 0 | 0 | 0 | 109.4 | | |
| 307 | A | 37.1 | Very low | 36.9 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | | | trans | -92.2 | 120.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 308 | V | 38.4 | Very low | 36.7 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | 23.7 | 125.9 | 141.8 | -173.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 309 | H | 31 | Very low | 36.6 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | | | trans | -133.4 | 112.4 | 148.3 | -87.7 | 111.1 | 0 | 0 | 0 | 111 | | |
| 310 | S | 38.4 | Very low | 36.3 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 152.5 | 145 | -84.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 311 | P | 45.6 | Very low | 36.1 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 151.5 | -163.4 | 31 | -34.1 | 0 | 0 | 0 | 114.3 | | |
| 312 | A | 34.3 | Very low | 36.1 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 155 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 313 | G | 29.9 | Very low | 35.5 | Very low | 72 Ų | 72 | 123.3 Ų | 123.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -142.3 | 89.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 314 | Y | 35.1 | Very low | 35.3 | Very low | 236 Ų | 236 | 119.7 Ų | 119.7 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | 67.5 | 125.4 | 148.1 | -80.7 | -88.9 | 0 | 0 | 0 | 124.9 | | |
| 315 | A | 34 | Very low | 35.2 | Very low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | trans | 81.8 | 103.4 | 139 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 316 | N | 33.8 | Very low | 35 | Very low | 145 Ų | 145 | 122 Ų | 122 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | | 74.6 | 134.5 | 91.9 | -105.3 | -2.7 | 0 | 0 | 0 | 112.4 | | |
| 317 | N | 35.7 | Very low | 35.3 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 56% | 0.561 | 78% | 0.779 | S | S | * | * | | | cis | -173 | 156 | 10.3 | -143.9 | -14.5 | 0 | 0 | 0 | 108.8 | | |
| 318 | H | 36.9 | Very low | 35 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | 58.2 | 148.4 | 154.1 | -68.8 | -62.2 | 0 | 0 | 0 | 120.1 | | |
| 319 | S | 34.3 | Very low | 34.7 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | 176.1 | 141.9 | -8.9 | 49.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 320 | G | 32.9 | Very low | 35 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | 71.8 | 149 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 321 | G | 33.1 | Very low | 35.5 | Very low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | cis | 173.9 | 150.1 | 4.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 322 | V | 35.1 | Very low | 35 | Very low | 155 Ų | 155 | 119 Ų | 119 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | | | trans | 44.6 | 122.9 | 146.2 | -64.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 323 | G | 32.3 | Very low | 35 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | | 112.8 | 117.9 | 120.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 324 | G | 33 | Very low | 35.1 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | | 87.4 | 113.8 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 325 | S | 38.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -49.4 | 154.8 | 172.5 | -52.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 326 | F | 35.3 | Very low | 35 | Very low | 163 Ų | 163 | 120.8 Ų | 120.8 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | | 154.3 | 155.5 | 108.4 | -93.8 | -79.7 | 0 | 0 | 0 | 115.4 | | |
| 327 | Y | 36.4 | Very low | 35.1 | Very low | 214 Ų | 214 | 122.6 Ų | 122.6 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | 75.1 | 125.6 | 163.7 | -47.2 | -66.6 | 0 | 0 | 0 | 116.2 | | |
| 328 | G | 31.5 | Very low | 35 | Very low | 65 Ų | 65 | 121.6 Ų | 121.6 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | cis | 113.5 | 108.3 | 27.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 329 | N | 32.8 | Very low | 35.1 | Very low | 176 Ų | 176 | 121.8 Ų | 121.8 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | | | trans | 173 | 120.9 | 144.1 | -92.2 | -27.2 | 0 | 0 | 0 | 112.7 | | |
| 330 | A | 35.3 | Very low | 35.3 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -89.4 | -170.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 331 | P | 50.3 | Low | 35.5 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | cis | -145.4 | 178.5 | 7.2 | 35.9 | -12 | 0 | 0 | 0 | 117.7 | | |
| 332 | S | 34.6 | Very low | 35.5 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | trans | 68.4 | 124.5 | 140.9 | 54.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 333 | S | 34.6 | Very low | 35.8 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | | -173.2 | 149.7 | 104.9 | 47 | 0 | 0 | 0 | 0 | 112.8 | | |
| 334 | V | 33 | Very low | 35.8 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -86.7 | 154.2 | -176.8 | -72 | 0 | 0 | 0 | 0 | 111.6 | | |
| 335 | S | 29.4 | Very low | 36.1 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | | 165.1 | 156.3 | 118.8 | -160.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 336 | L | 35.7 | Very low | 36.8 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -90.4 | 173.7 | -164.8 | -84 | 158.5 | 0 | 0 | 0 | 115.2 | | |
| 337 | Q | 36.6 | Very low | 37.2 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | 83.3 | 142.8 | 151.8 | -78.9 | 162.2 | 9 | 0 | 0 | 117.6 | | |
| 338 | A | 33.7 | Very low | 37.8 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | | | cis | -166.6 | 151.7 | 7.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 339 | L | 38.4 | Very low | 39.1 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | | | trans | 35.5 | 124.3 | 139.7 | -59.4 | 173 | 0 | 0 | 0 | 123.3 | | |
| 340 | R | 40.2 | Very low | 40.2 | Very low | 242 Ų | 242 | 144.6 Ų | 144.6 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | | 177.3 | 108.2 | 122.2 | -92.3 | 179.4 | -154.1 | -137.8 | 9.3 | 109 | | |
| 341 | R | 35.2 | Very low | 41.5 | Very low | 239 Ų | 239 | 146.2 Ų | 146.2 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | | 52 | 115.6 | 94.2 | -79.7 | -85.9 | -176.9 | -169.1 | -2.1 | 115.2 | | |
| 342 | L | 35 | Very low | 41.7 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | 159.7 | 100.1 | 140.3 | -79.7 | -177.2 | 0 | 0 | 0 | 107.2 | | |
| 343 | S | 40.3 | Very low | 42.4 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | | | | 51.2 | 104 | 99.1 | 65.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 344 | E | 32.9 | Very low | 43.6 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | | 177.8 | 141 | 127.3 | -149.3 | 89.2 | 126.7 | 0 | 0 | 109.9 | | |
| 345 | S | 38.6 | Very low | 44.7 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 149.3 | -179.2 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 346 | P | 53.1 | Low | 45 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 128.1 | 170.5 | 30.3 | -29.6 | 0 | 0 | 0 | 111.1 | | |
| 347 | V | 44.3 | Very low | 45.1 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 135.7 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 348 | F | 48.8 | Very low | 45.1 | Very low | 207 Ų | 207 | 146.1 Ų | 146.1 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | | | trans | -104.3 | 121.6 | 175.5 | -143.5 | -92 | 0 | 0 | 0 | 108.4 | | |
| 349 | E | 58.9 | Low | 45.4 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -111 | 131.1 | -176.2 | -164.9 | 161.6 | 156.8 | 0 | 0 | 110.8 | | |
| 350 | P | 55 | Low | 45.6 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 148.5 | 179.5 | 32.5 | -32.6 | 0 | 0 | 0 | 112.8 | | |
| 351 | P | 63 | Low | 45.5 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77 | 154.9 | -180 | 30.9 | -34.4 | 0 | 0 | 0 | 113.6 | | |
| 352 | P | 54.5 | Low | 45.9 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 148.3 | -170.3 | 32.9 | -35.5 | 0 | 0 | 0 | 115.1 | | |
| 353 | S | 49.8 | Very low | 46.1 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 152.2 | 172.2 | -34.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 354 | P | 58.7 | Low | 46.2 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 157 | 177.1 | 32.5 | -32.9 | 0 | 0 | 0 | 113.1 | | |
| 355 | P | 56 | Low | 46.5 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -85 | 134.3 | -164.2 | 32.2 | -34.8 | 0 | 0 | 0 | 115 | | |
| 356 | D | 36.8 | Very low | 46.4 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 131.6 | 154.2 | -83.5 | -57.7 | 0 | 0 | 0 | 110.1 | | |
| 357 | S | 38 | Very low | 45.5 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | 147.6 | 117.7 | 140.3 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 358 | L | 35.8 | Very low | 45.3 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | | | trans | -145.1 | 107.9 | 138.2 | -76.7 | -174.3 | 0 | 0 | 0 | 108.9 | | |
| 359 | S | 40.3 | Very low | 44.9 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | | | trans | -82.9 | 152.4 | 159.7 | -46.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 360 | D | 42 | Very low | 43.9 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 85.6 | 102.3 | 152.6 | -48.7 | -38.4 | 0 | 0 | 0 | 120.3 | | |
| 361 | R | 38.9 | Very low | 43.3 | Very low | 238 Ų | 238 | 133.6 Ų | 133.6 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -148.1 | 104.9 | 136.9 | -170.3 | 73.4 | 75.5 | 171.8 | 4.2 | 110.4 | | |
| 362 | E | 43.6 | Very low | 42.4 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 63% | 0.626 | 81% | 0.809 | S | S | * | * | | | trans | -43.1 | 134 | 164.7 | -91.3 | 74 | -175.6 | 0 | 0 | 113.5 | Y364 | E362-Y364 HydrophobicContact CB-CE2 4.47Š|
| 363 | S | 37.8 | Very low | 41.5 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | -154 | 100.7 | 145.4 | -79.6 | 0 | 0 | 0 | 0 | 111 | | |
| 364 | Y | 43.5 | Very low | 41.3 | Very low | 211 Ų | 211 | 131.7 Ų | 131.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | | | trans | -11.4 | 123.7 | 154.7 | -47.3 | -90.9 | 0 | 0 | 0 | 117.3 | E362 | E362-Y364 HydrophobicContact CB-CE2 4.47Š|
| 365 | A | 38.9 | Very low | 40.4 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -169.2 | 100.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 366 | S | 37 | Very low | 39.9 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | 24.3 | 126.9 | 137.5 | -49 | 0 | 0 | 0 | 0 | 119.8 | | |
| 367 | G | 33 | Very low | 39.8 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | 170.9 | 45.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | L369 | G367-L369 PolarHBondContact O-N 3.4Š|
| 368 | S | 40.4 | Very low | 40.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -66 | 115.2 | 162.1 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 369 | L | 41.7 | Very low | 40.5 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -130.9 | 109.7 | 150.1 | -73.9 | 173.2 | 0 | 0 | 0 | 108.6 | G367 | G367-L369 PolarHBondContact O-N 3.4Š|
| 370 | S | 38 | Very low | 40.5 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | trans | -42.8 | 147.6 | 165.4 | -44.9 | 0 | 0 | 0 | 0 | 113 | | |
| 371 | S | 40.4 | Very low | 40.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | | -168.3 | 113.4 | 120.8 | -79.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 372 | S | 45.2 | Very low | 40.9 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -65.1 | 153.3 | 164.8 | -36.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 373 | G | 35 | Very low | 41.1 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | trans | 164.4 | 84.6 | 164 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 374 | S | 47 | Very low | 41.2 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -63.1 | 129.8 | 167.8 | -45.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 375 | L | 39.9 | Very low | 41.6 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | | | trans | -149.8 | 129.4 | 150.8 | -75.3 | -178.1 | 0 | 0 | 0 | 111.7 | | |
| 376 | S | 45.5 | Very low | 42.3 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | | | trans | -57.7 | 133.6 | 165.9 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 377 | G | 33.6 | Very low | 43 | Very low | 59 Ų | 59 | 124.2 Ų | 124.2 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | | | trans | -168.1 | 111.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 378 | S | 51.8 | Low | 43.9 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | | | trans | -81.5 | 110.7 | 167.8 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 379 | E | 37.2 | Very low | 44.7 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -143 | 115.4 | 168.6 | 57.4 | -165.5 | 101.3 | 0 | 0 | 111.5 | | |
| 380 | S | 39.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 143.5 | 168.8 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | I382 | S380-I382 PolarHBondContact O-N 2.9Š|
| 381 | P | 46.5 | Very low | 45.8 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123.2 | -179.5 | 22.3 | -19.7 | 0 | 0 | 0 | 111 | L383 | P381-L383 PolarHBondContact O-N 2.83Š|
| 382 | I | 43.5 | Very low | 46.2 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.4 | 167.9 | -63.5 | 165.7 | 0 | 0 | 0 | 107.6 | S380 D384 | S380-I382 PolarHBondContact O-N 2.9Å; I382-D384 PolarHBondContact O-N 3.48Å; I382-D384 VanDerWaalsContact O-N 3.12Å |
| 383 | L | 46.6 | Very low | 46.3 | Very low | 161 Ų | 161 | 133 Ų | 133 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -75.3 | 101.1 | 175.3 | -63.8 | 176.9 | 0 | 0 | 0 | 109.1 | P381 A385 | P381-L383 PolarHBondContact O-N 2.83Å; L383-A385 PolarHBondContact O-N 3.48Å; L383-A385 VanDerWaalsContact O-N 3.14Å |
| 384 | D | 40.4 | Very low | 47.3 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 54% | 0.535 | 79% | 0.788 | S | S | . | * | | | trans | -56.4 | 109.4 | 166.6 | -165.2 | -114.4 | 0 | 0 | 0 | 109.7 | I382 G386 R387 | I382-D384 PolarHBondContact O-N 3.48Å; I382-D384 VanDerWaalsContact O-N 3.12Å; D384-G386 PolarHBondContact O-N 3.42Å; D384-R387 IonicContact OD1-CZ 2.7Å; D384-R387 IonicContact OD1-NH1 2.73Å; D384-R387 PolarHBondContact OD1-NH1 3.37Å; D384-R387 IonicContact OD1-NH2 3.89Å |
| 385 | A | 53.5 | Low | 47.4 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 71.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L383 | L383-A385 PolarHBondContact O-N 3.48Å; L383-A385 VanDerWaalsContact O-N 3.14Å |
| 386 | G | 52.8 | Low | 47.7 | Very low | 61 Ų | 61 | 140.8 Ų | 140.8 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.9 | 0.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | D384 | D384-G386 PolarHBondContact O-N 3.42Š|
| 387 | R | 52.4 | Low | 47.8 | Very low | 194 Ų | 194 | 142 Ų | 142 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | -140.9 | 85.5 | -178.9 | 39.7 | -174.3 | 168 | -76.6 | -3.3 | 112.1 | D384 | D384-R387 IonicContact OD1-CZ 2.7Å; D384-R387 IonicContact OD1-NH1 2.73Å; D384-R387 PolarHBondContact OD1-NH1 3.37Å; D384-R387 IonicContact OD1-NH2 3.89Å |
| 388 | R | 50.4 | Low | 48.3 | Very low | 228 Ų | 228 | 144.9 Ų | 144.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -78 | 138.6 | 165.8 | -115.8 | 179 | 175.5 | -125.8 | 1 | 109.2 | | |
| 389 | L | 57 | Low | 48.1 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | -62.6 | 146 | 176.8 | -67.8 | 166.1 | 0 | 0 | 0 | 111.8 | I391 | L389-I391 PolarHBondContact O-N 3.23Š|
| 390 | P | 53.1 | Low | 48.6 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 58.1 | -171.7 | 36.1 | -36.5 | 0 | 0 | 0 | 112.2 | | |
| 391 | I | 50.9 | Low | 49.1 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 68% | 0.677 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -7.2 | -179.5 | -47.1 | 178.2 | 0 | 0 | 0 | 112.8 | L389 | L389-I391 PolarHBondContact O-N 3.23Š|
| 392 | F | 48.7 | Very low | 49.2 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | -131.9 | 74.6 | 177.3 | -64 | -79.4 | 0 | 0 | 0 | 111.9 | | |
| 393 | S | 47.3 | Very low | 49.5 | Very low | 114 Ų | 114 | 152.2 Ų | 152.2 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -128.7 | 18.1 | 171.1 | -57 | 0 | 0 | 0 | 0 | 114.2 | | |
| 394 | R | 55.4 | Low | 49.7 | Very low | 241 Ų | 241 | 151.6 Ų | 151.6 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -132.7 | 96.9 | 169.4 | -69 | -150.4 | 148.7 | 167.4 | -3 | 110 | | |
| 395 | L | 50.3 | Low | 50.3 | Low | 172 Ų | 172 | 154.9 Ų | 154.9 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | | | trans | 174.1 | 75.9 | 140.1 | -87.3 | 163.3 | 0 | 0 | 0 | 107.3 | | |
| 396 | S | 44.2 | Very low | 50.1 | Low | 119 Ų | 119 | 157.7 Ų | 157.7 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -132.9 | 80.8 | 156.3 | 59.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 397 | I | 48.8 | Very low | 49.9 | Very low | 157 Ų | 157 | 164.6 Ų | 164.6 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 125 | 156 | 55.9 | 149.2 | 0 | 0 | 0 | 106 | | |
| 398 | S | 43.3 | Very low | 49.7 | Very low | 119 Ų | 119 | 162.4 Ų | 162.4 | 83% | 0.832 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 135.8 | 168.2 | -55.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 399 | D | 48.3 | Very low | 49.6 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 88% | 0.882 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 122.8 | 167.6 | -156.5 | -120.4 | 0 | 0 | 0 | 107 | | |
| 400 | D | 47.8 | Very low | 48.9 | Very low | 226 Ų | 226 | 158.1 Ų | 158.1 | 100% | 1.209 | 85% | 0.853 | S | S | * | * | | | trans | -107.2 | 0 | 162.6 | -177.9 | -108.5 | 0 | 0 | 0 | 107.9 | | |