| 1 | M | 43.5 | Very low | 54.4 | Low | 242 Ų | 242 | 164 Ų | 164 | 100% | 1.192 | 83% | 0.834 | S | S | * | * | | | | 0 | 130.3 | 0 | -77.5 | -168.2 | 156.4 | 0 | 0 | 108 | | |
| 2 | P | 54.4 | Low | 54.5 | Low | 124 Ų | 124 | 160.4 Ų | 160.4 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | | | trans | -88 | 141 | 177.2 | 34.2 | -29.6 | 0 | 0 | 0 | 110.6 | | |
| 3 | E | 52.9 | Low | 54.4 | Low | 168 Ų | 168 | 157.9 Ų | 157.9 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -131.8 | 92.5 | 167.3 | -140.1 | 166.4 | -169.3 | 0 | 0 | 107.6 | | |
| 4 | K | 51.9 | Low | 54.3 | Low | 170 Ų | 170 | 160.6 Ų | 160.6 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | | | | 81 | 111.4 | 101 | -72.7 | 174 | -164.4 | 161.7 | 0 | 113.1 | | |
| 5 | D | 54.9 | Low | 54.4 | Low | 152 Ų | 152 | 161.6 Ų | 161.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -48.5 | 142.1 | 168.7 | -51.4 | -79.8 | 0 | 0 | 0 | 113.8 | | |
| 6 | M | 52.9 | Low | 54.4 | Low | 192 Ų | 192 | 160.7 Ų | 160.7 | 95% | 0.946 | 81% | 0.808 | S | S | * | * | | | trans | -148.2 | 90.1 | 143.8 | -71.4 | -161.7 | 170.1 | 0 | 0 | 109.5 | A8 | M6-A8 PolarHBondContact O-N 3.49Š|
| 7 | M | 53.7 | Low | 54 | Low | 183 Ų | 183 | 157.4 Ų | 157.4 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -71.3 | 118.9 | 158.4 | -78.7 | -125.8 | -171.5 | 0 | 0 | 108.4 | D9 | M7-D9 PolarHBondContact O-N 3.31Š|
| 8 | A | 59.8 | Low | 53.9 | Low | 89 Ų | 89 | 154.8 Ų | 154.8 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | trans | -85.3 | 94.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | M6 N10 | M6-A8 PolarHBondContact O-N 3.49Å; A8-N10 PolarHBondContact O-N 3.27Å; A8-N10 VanDerWaalsContact O-N 3.1Å |
| 9 | D | 53.3 | Low | 53.6 | Low | 123 Ų | 123 | 154.8 Ų | 154.8 | 66% | 0.658 | 80% | 0.804 | S | S | * | * | | | trans | -63.3 | 100 | 168.7 | -88.1 | -20 | 0 | 0 | 0 | 110.9 | M7 R11 | M7-D9 PolarHBondContact O-N 3.31Å; D9-R11 PolarHBondContact O-N 3.1Å; D9-R11 IonicContact OD2-NH2 3.85Å |
| 10 | N | 56.6 | Low | 53.6 | Low | 152 Ų | 152 | 155.8 Ų | 155.8 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -85.8 | 88.2 | 167.7 | -91.8 | -74.9 | 0 | 0 | 0 | 110.5 | A8 | A8-N10 PolarHBondContact O-N 3.27Å; A8-N10 VanDerWaalsContact O-N 3.1Å |
| 11 | R | 64.1 | Low | 53.2 | Low | 209 Ų | 209 | 151.3 Ų | 151.3 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | | | trans | -88.4 | 121.2 | 168 | -63.1 | -179.2 | -168.1 | -177.8 | 4.1 | 110.1 | D9 N13 | D9-R11 PolarHBondContact O-N 3.1Å; D9-R11 IonicContact OD2-NH2 3.85Å; R11-N13 PolarHBondContact O-N 3.2Å |
| 12 | P | 56.1 | Low | 53.4 | Low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -76.6 | 118.8 | 167.5 | 26.8 | -29.3 | 0 | 0 | 0 | 111.1 | R14 | P12-R14 PolarHBondContact O-N 3.46Š|
| 13 | N | 53.2 | Low | 53.3 | Low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | | | trans | -45.9 | 107.5 | 170.9 | -173.9 | 8.1 | 0 | 0 | 0 | 112.6 | R11 K15 | R11-N13 PolarHBondContact O-N 3.2Å; N13-K15 PolarHBondContact O-N 3.3Å |
| 14 | R | 52.2 | Low | 53.1 | Low | 195 Ų | 195 | 144.7 Ų | 144.7 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -78.8 | 92.6 | 165.1 | -72.1 | -169 | 179.6 | 136 | 12.1 | 108.1 | P12 N16 | P12-R14 PolarHBondContact O-N 3.46Å; R14-N16 PolarHBondContact O-N 3.34Å; R14-N16 PolarHBondContact O-OD1 3.23Å |
| 15 | K | 55.9 | Low | 53.1 | Low | 176 Ų | 176 | 145.2 Ų | 145.2 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | -68.1 | 109.7 | 163.4 | -79.5 | 175.4 | 176.7 | 176.7 | 0 | 108.3 | N13 S17 | N13-K15 PolarHBondContact O-N 3.3Å; K15-S17 PolarHBondContact O-N 3.18Å |
| 16 | N | 55 | Low | 53 | Low | 147 Ų | 147 | 146.6 Ų | 146.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -62.6 | 111.3 | 162.3 | -71.4 | 46.2 | 0 | 0 | 0 | 108.6 | R14 | R14-N16 PolarHBondContact O-N 3.34Å; R14-N16 PolarHBondContact O-OD1 3.23Å |
| 17 | S | 46.8 | Very low | 53.2 | Low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -100.2 | 96.1 | 160.3 | 58.2 | 0 | 0 | 0 | 0 | 107.5 | K15 D19 | K15-S17 PolarHBondContact O-N 3.18Å; S17-D19 PolarHBondContact O-N 3.38Å |
| 18 | S | 53.8 | Low | 53.1 | Low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -78.9 | 106.7 | 158.8 | -56 | 0 | 0 | 0 | 0 | 106.3 | | |
| 19 | D | 47.8 | Very low | 53 | Low | 154 Ų | 154 | 151.1 Ų | 151.1 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -118.4 | 86.3 | 165.4 | -110.5 | -73.3 | 0 | 0 | 0 | 106.7 | S17 | S17-D19 PolarHBondContact O-N 3.38Š|
| 20 | D | 52.6 | Low | 53.3 | Low | 174 Ų | 174 | 150 Ų | 150 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | | | trans | -86.6 | 104 | 165.1 | -133.1 | -74.8 | 0 | 0 | 0 | 105.5 | | |
| 21 | G | 44.9 | Very low | 53.5 | Low | 63 Ų | 63 | 153 Ų | 153 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | trans | 174.6 | 70.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 22 | G | 48.2 | Very low | 53.7 | Low | 72 Ų | 72 | 148.6 Ų | 148.6 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 143.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q24 | G22-Q24 PolarHBondContact O-N 3.35Š|
| 23 | P | 52.4 | Low | 54.4 | Low | 133 Ų | 133 | 151.7 Ų | 151.7 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 118.2 | 175.1 | -16.5 | 29.9 | 0 | 0 | 0 | 110.2 | E25 | P23-E25 PolarHBondContact O-N 2.95Š|
| 24 | Q | 49.1 | Very low | 55.1 | Low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 116 | 163 | -177.2 | 176.9 | -2.5 | 0 | 0 | 108.5 | G22 E26 | G22-Q24 PolarHBondContact O-N 3.35Å; Q24-E26 PolarHBondContact O-N 3.22Å |
| 25 | E | 50.9 | Low | 55.3 | Low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -65 | 111 | 174.8 | 53.3 | -163.2 | 121.6 | 0 | 0 | 109.7 | P23 | P23-E25 PolarHBondContact O-N 2.95Š|
| 26 | E | 54.7 | Low | 55.3 | Low | 181 Ų | 181 | 146.5 Ų | 146.5 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -87.7 | 131.1 | 166.1 | -166.6 | -126.9 | 170.9 | 0 | 0 | 108.6 | Q24 D28 | Q24-E26 PolarHBondContact O-N 3.22Å; E26-D28 PolarHBondContact O-N 3.5Å; E26-D28 VanDerWaalsContact O-N 3.14Å |
| 27 | E | 55.2 | Low | 55 | Low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -79.3 | 87.8 | -165.7 | -54.3 | 173.1 | 122 | 0 | 0 | 111.6 | | |
| 28 | D | 52.3 | Low | 55.6 | Low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | | | trans | -101.3 | 96.6 | 151.1 | -167.1 | 62.8 | 0 | 0 | 0 | 109.4 | E26 V30 | E26-D28 PolarHBondContact O-N 3.5Å; E26-D28 VanDerWaalsContact O-N 3.14Å; D28-V30 VanDerWaalsContact C-N 3.27Å; D28-V30 PolarHBondContact O-N 3.1Å |
| 29 | R | 59 | Low | 55.8 | Low | 240 Ų | 240 | 146.4 Ų | 146.4 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | | | trans | -74.5 | 79.9 | -174.6 | -159.7 | 172.7 | -172.6 | -121.4 | 3.8 | 110 | K31 | R29-K31 PolarHBondContact O-N 3.22Š|
| 30 | V | 58.9 | Low | 55.6 | Low | 101 Ų | 101 | 142.3 Ų | 142.3 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | | | trans | -58.1 | 126.5 | 168.9 | -67.9 | 0 | 0 | 0 | 0 | 109.8 | D28 T32 | D28-V30 VanDerWaalsContact C-N 3.27Å; D28-V30 PolarHBondContact O-N 3.1Å; V30-T32 HydrophobicContact CG2-CG2 3.96Å; V30-T32 PolarHBondContact O-N 3.3Å |
| 31 | K | 60.8 | Low | 55.2 | Low | 215 Ų | 215 | 137.2 Ų | 137.2 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | | | trans | -74.8 | 74 | -174.6 | -138.1 | 165.7 | -177.1 | 172.6 | 0 | 110 | R29 | R29-K31 PolarHBondContact O-N 3.22Š|
| 32 | T | 67.9 | Low | 55.1 | Low | 116 Ų | 116 | 137.8 Ų | 137.8 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 133.1 | 176.5 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | V30 | V30-T32 HydrophobicContact CG2-CG2 3.96Å; V30-T32 PolarHBondContact O-N 3.3Å |
| 33 | K | 70.9 | Confident | 55.2 | Low | 186 Ų | 186 | 142 Ų | 142 | 81% | 0.809 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 140 | 173.9 | -68.8 | 177.8 | 174.5 | 176.6 | 0 | 108.6 | V35 | K33-V35 PolarHBondContact O-N 3.43Š|
| 34 | P | 67.5 | Low | 55.1 | Low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.7 | 173.9 | 26.7 | -33 | 0 | 0 | 0 | 109.2 | | |
| 35 | V | 57.3 | Low | 54.9 | Low | 138 Ų | 138 | 136.9 Ų | 136.9 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 116.6 | 168.1 | -70.7 | 0 | 0 | 0 | 0 | 107.9 | K33 C37 | K33-V35 PolarHBondContact O-N 3.43Å; V35-C37 PolarHBondContact O-N 2.97Å |
| 36 | S | 55.7 | Low | 54.7 | Low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -78.1 | 112 | 175.6 | -167.3 | 0 | 0 | 0 | 0 | 108.7 | S38 | S36-S38 PolarHBondContact O-N 2.98Š|
| 37 | C | 49 | Very low | 54.5 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -75.8 | 106.2 | 167.4 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | V35 | V35-C37 PolarHBondContact O-N 2.97Š|
| 38 | S | 58.3 | Low | 54.4 | Low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -88.9 | 99.7 | 165.3 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | S36 G40 | S36-S38 PolarHBondContact O-N 2.98Å; S38-G40 PolarHBondContact O-N 2.8Å |
| 39 | T | 58 | Low | 54.5 | Low | 134 Ų | 134 | 135.5 Ų | 135.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -74.7 | 96.4 | 162.7 | -58.3 | 0 | 0 | 0 | 0 | 106.6 | G41 | T39-G41 PolarHBondContact O-N 3.26Š|
| 40 | G | 44.7 | Very low | 54.3 | Low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -63.6 | 105.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | S38 G42 | S38-G40 PolarHBondContact O-N 2.8Å; G40-G42 PolarHBondContact O-N 3.19Å |
| 41 | G | 44.4 | Very low | 53.8 | Low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -62.2 | 115.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | T39 | T39-G41 PolarHBondContact O-N 3.26Š|
| 42 | G | 42.5 | Very low | 52.9 | Low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -82.5 | 110.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G40 G44 | G40-G42 PolarHBondContact O-N 3.19Å; G42-G44 PolarHBondContact O-N 3.29Å; G42-G44 VanDerWaalsContact O-N 3.16Å |
| 43 | D | 50.1 | Low | 51.7 | Low | 162 Ų | 162 | 129.6 Ų | 129.6 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | trans | -64.6 | 99.6 | 161 | 48.5 | -72.4 | 0 | 0 | 0 | 109.9 | | |
| 44 | G | 49.4 | Very low | 50.6 | Low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -115.2 | 111.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G42 | G42-G44 PolarHBondContact O-N 3.29Å; G42-G44 VanDerWaalsContact O-N 3.16Å |
| 45 | T | 44.5 | Very low | 49.3 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -47.3 | 137.8 | -175.1 | 45.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 46 | A | 46.8 | Very low | 48.6 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -55.1 | 134.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 47 | V | 50.6 | Low | 47.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | -118.5 | 111.9 | 152.5 | 172.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 48 | K | 52.9 | Low | 47.1 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -73.2 | 131.9 | 175.6 | -62.1 | 173 | 173.9 | 178.8 | 0 | 109.4 | | |
| 49 | R | 55.9 | Low | 46.3 | Very low | 234 Ų | 234 | 134.3 Ų | 134.3 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -122.6 | 117.2 | 154.2 | -80.7 | -176.5 | 48.9 | 79.6 | 7.2 | 108.8 | | |
| 50 | T | 55 | Low | 45.5 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -109.5 | 163.6 | -178.7 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 51 | S | 47.8 | Very low | 45.1 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | 85.5 | 130 | 170.6 | 97.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 52 | Q | 41.3 | Very low | 44.8 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | cis | -149.4 | 145.4 | 15.3 | -67.3 | -174 | 2.8 | 0 | 0 | 110.6 | | |
| 53 | H | 43.9 | Very low | 44.6 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -97.1 | 132.6 | 170.3 | -171.4 | -99.7 | 0 | 0 | 0 | 108 | N55 | H53-N55 VanDerWaalsContact CE1-CG 3.48Å; H53-N55 PolarHBondContact CE1-ND2 3.26Å; H53-N55 PolarHBondContact CE1-OD1 3.13Å; H53-N55 PolarHBondContact ND1-ND2 3.01Å |
| 54 | L | 46.5 | Very low | 44.3 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -129.5 | 124 | 156.3 | -75.5 | -179 | 0 | 0 | 0 | 109.4 | | |
| 55 | N | 40.8 | Very low | 43.7 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -75.2 | 144.7 | -176.9 | -94.9 | -63 | 0 | 0 | 0 | 112.9 | H53 | H53-N55 VanDerWaalsContact CE1-CG 3.48Å; H53-N55 PolarHBondContact CE1-ND2 3.26Å; H53-N55 PolarHBondContact CE1-OD1 3.13Å; H53-N55 PolarHBondContact ND1-ND2 3.01Å |
| 56 | L | 42.5 | Very low | 44.2 | Very low | 147 Ų | 147 | 144 Ų | 144 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -163.1 | 120 | 140 | -154.6 | 65.5 | 0 | 0 | 0 | 102.6 | | |
| 57 | E | 36 | Very low | 44.2 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | | -173.6 | 125.4 | 76 | -76.6 | 159.5 | 178 | 0 | 0 | 108.2 | | |
| 58 | D | 37.8 | Very low | 43.7 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 55.1 | 114.9 | 134.6 | -52.8 | -62.6 | 0 | 0 | 0 | 123.8 | | |
| 59 | E | 41.9 | Very low | 43.8 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | 76.8 | 135.1 | 131.3 | -52.9 | -70 | 83 | 0 | 0 | 124.3 | | |
| 60 | D | 39.6 | Very low | 43.2 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | 95.5 | 82.1 | 151.6 | -59.3 | -51.6 | 0 | 0 | 0 | 122.9 | | |
| 61 | E | 37.7 | Very low | 43.6 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | | 40 | 133.9 | 119.6 | -114.6 | -84 | 89.8 | 0 | 0 | 125.1 | | |
| 62 | S | 37.8 | Very low | 44.2 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | trans | 67.7 | 133.6 | 154.3 | -97 | 0 | 0 | 0 | 0 | 121.5 | | |
| 63 | S | 38.3 | Very low | 45.1 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | cis | -176.9 | 139.4 | 4.7 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 64 | A | 42.5 | Very low | 46.1 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | 54.4 | 142.8 | 150 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 65 | D | 37.7 | Very low | 47 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | cis | -171.4 | 125.6 | 39.5 | -163.4 | 30.2 | 0 | 0 | 0 | 113.2 | | |
| 66 | Q | 56.1 | Low | 48 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 59.4 | 161.9 | 140 | -68.3 | -84.4 | -42.8 | 0 | 0 | 125.8 | | |
| 67 | P | 45.6 | Very low | 48.4 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | trans | -124.2 | 159.9 | -147.6 | 43.2 | -30.3 | 0 | 0 | 0 | 118.7 | | |
| 68 | A | 39.7 | Very low | 49.3 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 39.5 | 176.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 69 | P | 55.9 | Low | 50 | Low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | cis | -128.8 | 172.5 | -31.2 | 38 | -21.5 | 0 | 0 | 0 | 113.3 | | |
| 70 | C | 43.8 | Very low | 50.6 | Low | 139 Ų | 139 | 133.3 Ų | 133.3 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | | | trans | -143.3 | 116.5 | 155.3 | -91.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 71 | K | 62.9 | Low | 51.2 | Low | 192 Ų | 192 | 131.1 Ų | 131.1 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -92.2 | 163.8 | 175.3 | -68.3 | 178.7 | 178.9 | 174.5 | 0 | 110.6 | | |
| 72 | T | 60.3 | Low | 51.9 | Low | 141 Ų | 141 | 132.4 Ų | 132.4 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | 99.4 | 114.7 | 161.1 | 77.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 73 | S | 59 | Low | 52.5 | Low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | | -151.6 | 116.3 | 121.1 | -148.5 | 0 | 0 | 0 | 0 | 109.6 | I75 | S73-I75 PolarHBondContact O-N 3.02Š|
| 74 | K | 66.4 | Low | 53.1 | Low | 203 Ų | 203 | 135.2 Ų | 135.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -85.8 | 94.7 | 179.8 | -179 | 165.3 | 176.4 | 69 | 0 | 107.8 | G76 | K74-G76 PolarHBondContact O-N 3.41Š|
| 75 | I | 65.6 | Low | 53.9 | Low | 134 Ų | 134 | 140.5 Ų | 140.5 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | | | trans | -77.3 | 118.9 | 169.4 | -137.3 | 82.2 | 0 | 0 | 0 | 108 | S73 F77 | S73-I75 PolarHBondContact O-N 3.02Å; I75-F77 HydrophobicContact CG2-CD2 4.37Å; I75-F77 HydrophobicContact CG2-CE2 3.81Å; I75-F77 HydrophobicContact CG2-CZ 4.16Å |
| 76 | G | 60.9 | Low | 55.1 | Low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | trans | -79.8 | 125.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K74 S78 | K74-G76 PolarHBondContact O-N 3.41Å; G76-S78 PolarHBondContact O-N 3.37Å |
| 77 | F | 52 | Low | 55.7 | Low | 194 Ų | 194 | 140.2 Ų | 140.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -89.3 | 101.3 | 167 | -72.5 | -84.2 | 0 | 0 | 0 | 108.4 | I75 M79 | I75-F77 HydrophobicContact CG2-CD2 4.37Å; I75-F77 HydrophobicContact CG2-CE2 3.81Å; I75-F77 HydrophobicContact CG2-CZ 4.16Å; F77-M79 PolarHBondContact O-N 3.49Å |
| 78 | S | 53 | Low | 57.1 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -71.9 | 113.8 | 166 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | G76 G80 | G76-S78 PolarHBondContact O-N 3.37Å; S78-G80 PolarHBondContact O-N 3.08Å |
| 79 | M | 53.2 | Low | 58.8 | Low | 191 Ų | 191 | 143.7 Ų | 143.7 | 94% | 0.941 | 81% | 0.811 | S | S | * | * | | | trans | -75.2 | 99.7 | 172.7 | -170.7 | 92 | 77.6 | 0 | 0 | 109.1 | F77 | F77-M79 PolarHBondContact O-N 3.49Š|
| 80 | G | 54.7 | Low | 59.9 | Low | 73 Ų | 73 | 146.3 Ų | 146.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -101.4 | 100.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S78 | S78-G80 PolarHBondContact O-N 3.08Š|
| 81 | S | 53.2 | Low | 61.5 | Low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | -59.3 | 134.8 | 172.1 | 160.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 82 | K | 51.2 | Low | 62.1 | Low | 195 Ų | 195 | 142.8 Ų | 142.8 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | -145.5 | 95.9 | 150.8 | -67.1 | -160.3 | -174.2 | -175.7 | 0 | 112.4 | | |
| 83 | M | 50.6 | Low | 62.8 | Low | 166 Ų | 166 | 145.9 Ų | 145.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 30.4 | 118.1 | 137.9 | -66.3 | 176.6 | -76.9 | 0 | 0 | 121 | | |
| 84 | A | 51.4 | Low | 63.1 | Low | 84 Ų | 84 | 148.1 Ų | 148.1 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | | | | 44.9 | 113.1 | 126.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 85 | K | 59.7 | Low | 62.7 | Low | 211 Ų | 211 | 141.9 Ų | 141.9 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | | | trans | -139.6 | 112.6 | 134.1 | -66 | -169.7 | -177 | 174.5 | 0 | 109.6 | S87 | K85-S87 PolarHBondContact O-N 2.83Š|
| 86 | K | 62.6 | Low | 62.5 | Low | 199 Ų | 199 | 140.3 Ų | 140.3 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | -72.7 | 116 | 172.2 | -56.3 | 167.3 | -170.7 | 179.1 | 0 | 106.5 | | |
| 87 | S | 68.9 | Low | 62.3 | Low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 134.8 | 171 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | K85 | K85-S87 PolarHBondContact O-N 2.83Š|
| 88 | N | 74.7 | Confident | 62.8 | Low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 138.2 | 176.4 | -67.1 | -39.5 | 0 | 0 | 0 | 110 | | |
| 89 | P | 75.4 | Confident | 63 | Low | 123 Ų | 123 | 144.4 Ų | 144.4 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 132.5 | 175.2 | 27.2 | -32.4 | 0 | 0 | 0 | 110.9 | | |
| 90 | I | 78.8 | Confident | 62.6 | Low | 162 Ų | 162 | 143.9 Ų | 143.9 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126 | 175.9 | -60.4 | 169.4 | 0 | 0 | 0 | 108.3 | | |
| 91 | S | 77.1 | Confident | 62.5 | Low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 134.2 | 171.7 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 92 | I | 75.9 | Confident | 62.3 | Low | 150 Ų | 150 | 149.1 Ų | 149.1 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -111.7 | 113.9 | 174.2 | 22.9 | 171.4 | 0 | 0 | 0 | 108.3 | | |
| 93 | K | 74 | Confident | 62.1 | Low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | | | trans | -89.8 | 103.5 | 170 | -78.7 | -179 | 176.6 | 179.3 | 0 | 108.8 | G95 | K93-G95 PolarHBondContact O-N 2.92Š|
| 94 | L | 65.1 | Low | 62.3 | Low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -78 | 94.1 | 168.7 | -67.1 | 170.6 | 0 | 0 | 0 | 108.7 | A96 | L94-A96 PolarHBondContact O-N 2.8Š|
| 95 | G | 59.6 | Low | 62.5 | Low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -72.5 | 102.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K93 T97 | K93-G95 PolarHBondContact O-N 2.92Å; G95-T97 PolarHBondContact O-N 3.49Å |
| 96 | A | 59.9 | Low | 62.4 | Low | 101 Ų | 101 | 140.6 Ų | 140.6 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -67.3 | 119.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | L94 | L94-A96 PolarHBondContact O-N 2.8Š|
| 97 | T | 58.1 | Low | 62.3 | Low | 133 Ų | 133 | 135.9 Ų | 135.9 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -121.9 | 119.1 | 161.5 | 56.9 | 0 | 0 | 0 | 0 | 108.3 | G95 P99 | G95-T97 PolarHBondContact O-N 3.49Å; T97-P99 WeakPolarHBondContact O-CD 3.48Å |
| 98 | K | 61.7 | Low | 61.8 | Low | 204 Ų | 204 | 136.7 Ų | 136.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 128.9 | 178.7 | -58.8 | 174.1 | 178.3 | 178.4 | 0 | 108.9 | | |
| 99 | P | 57.1 | Low | 61.2 | Low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 116.2 | 159.1 | -10 | 27.6 | 0 | 0 | 0 | 109.3 | T97 | T97-P99 WeakPolarHBondContact O-CD 3.48Š|
| 100 | K | 44.7 | Very low | 60.4 | Low | 180 Ų | 180 | 142.5 Ų | 142.5 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124.2 | 170.8 | -172 | 90.3 | 171.1 | 168 | 0 | 110.3 | | |
| 101 | E | 53.6 | Low | 59.3 | Low | 151 Ų | 151 | 142.7 Ų | 142.7 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | 6.1 | 115.7 | 144.8 | -170.2 | -179.3 | -178.6 | 0 | 0 | 117.1 | V103 | E101-V103 HydrophobicContact CG-CG2 4.32Š|
| 102 | V | 48.5 | Very low | 58.4 | Low | 135 Ų | 135 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -129.9 | 109.5 | 155.5 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | P104 | V102-P104 WeakPolarHBondContact O-CD 3.31Š|
| 103 | V | 47.1 | Very low | 57.5 | Low | 107 Ų | 107 | 141.2 Ų | 141.2 | 65% | 0.648 | 79% | 0.79 | S | S | * | * | | | trans | -75.1 | 126.5 | 169.5 | 171.9 | 0 | 0 | 0 | 0 | 109.1 | E101 | E101-V103 HydrophobicContact CG-CG2 4.32Š|
| 104 | P | 53.7 | Low | 56.8 | Low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | trans | -97.5 | 109.1 | 154.7 | 31 | -25.4 | 0 | 0 | 0 | 109.8 | V102 L106 | V102-P104 WeakPolarHBondContact O-CD 3.31Å; P104-L106 PolarHBondContact O-N 3.22Å |
| 105 | S | 55.5 | Low | 56.3 | Low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -59.6 | 123 | 164.8 | 169 | 0 | 0 | 0 | 0 | 110.1 | | |
| 106 | L | 59.4 | Low | 56.2 | Low | 154 Ų | 154 | 140.3 Ų | 140.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -128.3 | 126.9 | 165.1 | -73.1 | 172.9 | 0 | 0 | 0 | 108.9 | P104 | P104-L106 PolarHBondContact O-N 3.22Š|
| 107 | P | 59.2 | Low | 56.1 | Low | 99 Ų | 99 | 143.9 Ų | 143.9 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 139.9 | -177.3 | 29.3 | -33.3 | 0 | 0 | 0 | 111.3 | K109 | P107-K109 PolarHBondContact O-N 3.25Š|
| 108 | P | 59.2 | Low | 56.2 | Low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72 | 116.9 | 178.5 | 27.5 | -31.6 | 0 | 0 | 0 | 110.5 | | |
| 109 | K | 62.2 | Low | 55.7 | Low | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 138.5 | 166.8 | -68.6 | 178.9 | -178.7 | 171.5 | 0 | 109.3 | P107 | P107-K109 PolarHBondContact O-N 3.25Š|
| 110 | K | 57.3 | Low | 55.8 | Low | 200 Ų | 200 | 144 Ų | 144 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134.1 | -161.5 | -58.3 | 169.7 | -178.5 | 173.1 | 0 | 112.9 | V112 | K110-V112 PolarHBondContact O-N 2.66Š|
| 111 | L | 57.5 | Low | 56.4 | Low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -91.8 | 82.1 | 173.7 | -65 | 172.4 | 0 | 0 | 0 | 110.4 | | |
| 112 | V | 57.3 | Low | 56.3 | Low | 135 Ų | 135 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -143.8 | 87.7 | 169.4 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | K110 | K110-V112 PolarHBondContact O-N 2.66Š|
| 113 | S | 56.3 | Low | 56.8 | Low | 91 Ų | 91 | 141 Ų | 141 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | -164.2 | 69.6 | 149.9 | -167.4 | 0 | 0 | 0 | 0 | 107 | | |
| 114 | V | 61 | Low | 57.6 | Low | 110 Ų | 110 | 145 Ų | 145 | 67% | 0.667 | 79% | 0.787 | S | S | * | * | | | trans | -88.1 | -3.7 | -172.2 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 115 | F | 53.8 | Low | 58.4 | Low | 168 Ų | 168 | 147.1 Ų | 147.1 | 74% | 0.737 | 79% | 0.788 | S | S | * | * | | | trans | -149.2 | 90.6 | 176 | -69.6 | -79.1 | 0 | 0 | 0 | 111.1 | | |
| 116 | N | 57.8 | Low | 59.2 | Low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -97.3 | 91.7 | 145.3 | -69.2 | -38.2 | 0 | 0 | 0 | 104.6 | | |
| 117 | E | 57.6 | Low | 60.2 | Low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -68.7 | 133.8 | 157.9 | -93.3 | 174.4 | 139 | 0 | 0 | 106.9 | | |
| 118 | D | 60.7 | Low | 60.5 | Low | 160 Ų | 160 | 145.9 Ų | 145.9 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 102.4 | 89.6 | 171.3 | -144.9 | 34.6 | 0 | 0 | 0 | 115.8 | | |
| 119 | D | 51.3 | Low | 60.8 | Low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -159.2 | 118.2 | 131.7 | -149.8 | 5.6 | 0 | 0 | 0 | 111.2 | S121 | D119-S121 PolarHBondContact O-N 2.92Š|
| 120 | D | 58.3 | Low | 61.1 | Low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -80 | 101.3 | 175.8 | 176.7 | 27.4 | 0 | 0 | 0 | 109.3 | | |
| 121 | S | 56.7 | Low | 61.8 | Low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | trans | -163.3 | 117.4 | 168.9 | -115.6 | 0 | 0 | 0 | 0 | 114.1 | D119 | D119-S121 PolarHBondContact O-N 2.92Š|
| 122 | E | 51.4 | Low | 62.6 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | 40.7 | 137.5 | 163.5 | -82.8 | -168.5 | 145.6 | 0 | 0 | 119.6 | E124 | E122-E124 PolarHBondContact O-N 2.76Š|
| 123 | P | 60.3 | Low | 63.8 | Low | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -62 | 102.3 | 167.7 | 28.4 | -32.2 | 0 | 0 | 0 | 108.5 | E125 | P123-E125 PolarHBondContact O-N 2.81Š|
| 124 | E | 62.3 | Low | 64.8 | Low | 191 Ų | 191 | 144.6 Ų | 144.6 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | | | trans | -47.6 | 104.8 | 169.7 | -76.3 | -176.1 | 148.2 | 0 | 0 | 108.5 | E122 M126 | E122-E124 PolarHBondContact O-N 2.76Å; E124-M126 PolarHBondContact O-N 2.98Å |
| 125 | E | 70.7 | Confident | 65.8 | Low | 154 Ų | 154 | 147.9 Ų | 147.9 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -58.7 | 125.1 | 173.6 | -174.3 | -179.2 | 166.8 | 0 | 0 | 106.6 | P123 P127 K131 | P123-E125 PolarHBondContact O-N 2.81Å; E125-P127 VanDerWaalsContact O-N 3.16Å; E125-K131 IonicContact OE1-NZ 3.29Å; E125-K131 PolarHBondContact OE1-NZ 3.09Å |
| 126 | M | 72.8 | Confident | 67.1 | Low | 151 Ų | 151 | 144.8 Ų | 144.8 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | trans | -33.5 | 124.7 | -177.8 | -80.1 | -164.6 | -59.3 | 0 | 0 | 110.5 | E124 | E124-M126 PolarHBondContact O-N 2.98Š|
| 127 | P | 79.6 | Confident | 68.1 | Low | 75 Ų | 75 | 144 Ų | 144 | 49% | 0.487 | 74% | 0.736 | S | S | . | * | | | trans | -50.8 | 141 | -168 | 15.7 | -29.7 | 0 | 0 | 0 | 110.6 | E125 E129 A130 K131 | E125-P127 VanDerWaalsContact O-N 3.16Å; P127-E129 PolarHBondContact O-N 3.48Å; P127-A130 HydrophobicContact CG-CB 4.22Å; P127-A130 WeakPolarHBondContact O-CA 3.21Å; P127-A130 WeakPolarHBondContact O-CB 3.44Å; P127-A130 PolarHBondContact O-N 3.36Å; P127-K131 PolarHBondContact O-N 3.08Å |
| 128 | P | 67.4 | Low | 69.2 | Low | 106 Ų | 106 | 137.8 Ų | 137.8 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -24.8 | -175.4 | 21.5 | -32.8 | 0 | 0 | 0 | 112.8 | A130 K131 | P128-A130 VanDerWaalsContact C-N 3.33Å; P128-A130 PolarHBondContact O-N 3.48Å; P128-K131 WeakPolarHBondContact O-CA 3.39Å; P128-K131 VanDerWaalsContact O-CB 3.28Å; P128-K131 WeakPolarHBondContact O-CB 3.48Å; P128-K131 PolarHBondContact O-N 2.91Å; P128-K131 VanDerWaalsContact O-N 3.08Å |
| 129 | E | 64.3 | Low | 70.1 | Confident | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -32.5 | 172.6 | -71.6 | 165.3 | 149.8 | 0 | 0 | 113.1 | P127 K131 M132 | P127-E129 PolarHBondContact O-N 3.48Å; E129-K131 VanDerWaalsContact C-N 3.29Å; E129-M132 WeakPolarHBondContact O-CB 3.45Å; E129-M132 PolarHBondContact O-N 3.29Å |
| 130 | A | 69.2 | Low | 71.5 | Confident | 69 Ų | 69 | 133.4 Ų | 133.4 | 57% | 0.57 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -16.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P127 P128 M132 | P127-A130 HydrophobicContact CG-CB 4.22Å; P127-A130 WeakPolarHBondContact O-CA 3.21Å; P127-A130 WeakPolarHBondContact O-CB 3.44Å; P127-A130 PolarHBondContact O-N 3.36Å; P128-A130 VanDerWaalsContact C-N 3.33Å; P128-A130 PolarHBondContact O-N 3.48Å; A130-M132 VanDerWaalsContact C-N 3.26Å |
| 131 | K | 70.7 | Confident | 72.5 | Confident | 153 Ų | 153 | 128.3 Ų | 128.3 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -6.2 | 172.4 | -148.9 | 163.2 | -175.8 | 164.8 | 0 | 112.3 | E125 P127 P128 E129 R133 | E125-K131 IonicContact OE1-NZ 3.29Å; E125-K131 PolarHBondContact OE1-NZ 3.09Å; P127-K131 PolarHBondContact O-N 3.08Å; P128-K131 WeakPolarHBondContact O-CA 3.39Å; P128-K131 VanDerWaalsContact O-CB 3.28Å; P128-K131 WeakPolarHBondContact O-CB 3.48Å; P128-K131 PolarHBondContact O-N 2.91Å; P128-K131 VanDerWaalsContact O-N 3.08Å; E129-K131 VanDerWaalsContact C-N 3.29Å; K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.78Å |
| 132 | M | 75.2 | Confident | 73.3 | Confident | 155 Ų | 155 | 129.6 Ų | 129.6 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | | | trans | -73 | 83.8 | 172.9 | -77.3 | -142.7 | -85.5 | 0 | 0 | 111.7 | E129 A130 M134 | E129-M132 WeakPolarHBondContact O-CB 3.45Å; E129-M132 PolarHBondContact O-N 3.29Å; A130-M132 VanDerWaalsContact C-N 3.26Å; M132-M134 PolarHBondContact O-N 2.98Å |
| 133 | R | 81.6 | Confident | 74.2 | Confident | 198 Ų | 198 | 126.5 Ų | 126.5 | 75% | 0.747 | 66% | 0.658 | S | S | * | * | | | trans | -72.9 | 113.2 | 163.5 | -176.5 | 174.9 | 160.5 | 74.5 | 6.4 | 108.7 | K131 K135 | K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.78Å; R133-K135 PolarHBondContact O-N 3.11Å |
| 134 | M | 77.4 | Confident | 74.9 | Confident | 157 Ų | 157 | 121.8 Ų | 121.8 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | | | trans | -47.1 | 132.2 | 172.8 | -174.5 | 170.8 | 72.7 | 0 | 0 | 110.6 | M132 | M132-M134 PolarHBondContact O-N 2.98Š|
| 135 | K | 83.8 | Confident | 75.5 | Confident | 179 Ų | 179 | 115 Ų | 115 | 78% | 0.778 | 60% | 0.604 | S | S | * | * | | | trans | -67.7 | 136.5 | 178.8 | -173 | 174.7 | 178.2 | -179.8 | 0 | 109.5 | R133 I137 | R133-K135 PolarHBondContact O-N 3.11Å; K135-I137 WeakPolarHBondContact O-CD1 3.38Å; K135-I137 PolarHBondContact O-N 2.94Å |
| 136 | N | 80.8 | Confident | 75.9 | Confident | 103 Ų | 103 | 108.8 Ų | 108.8 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | | | trans | -68.8 | 93.7 | 172.1 | -73.8 | -30.9 | 0 | 0 | 0 | 109.9 | G138 R139 | N136-G138 VanDerWaalsContact C-N 3.27Å; N136-G138 PolarHBondContact O-N 3.24Å; N136-R139 HydrophobicContact CB-CB 4.48Å; N136-R139 PolarHBondContact O-N 3.24Å |
| 137 | I | 77.3 | Confident | 76.3 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 67% | 0.672 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -63.6 | -32.3 | 179.6 | -62.7 | 106.7 | 0 | 0 | 0 | 111.9 | K135 R139 | K135-I137 WeakPolarHBondContact O-CD1 3.38Å; K135-I137 PolarHBondContact O-N 2.94Å; I137-R139 VanDerWaalsContact C-N 3.27Å; I137-R139 PolarHBondContact O-N 3.44Å |
| 138 | G | 81.2 | Confident | 75.9 | Confident | 45 Ų | 45 | 113.1 Ų | 113.1 | 46% | 0.464 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -81.7 | 15.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | N136 T141 S144 | N136-G138 VanDerWaalsContact C-N 3.27Å; N136-G138 PolarHBondContact O-N 3.24Å; G138-T141 PolarHBondContact O-OG1 3.24Å; G138-S144 WeakPolarHBondContact O-CB 3.49Å |
| 139 | R | 79.7 | Confident | 76.1 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 38% | 0.381 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -81.3 | -41.8 | 179.1 | -176 | 178.7 | -177.7 | 169.3 | -1.1 | 112.4 | N136 I137 S144 K154 | N136-R139 HydrophobicContact CB-CB 4.48Å; N136-R139 PolarHBondContact O-N 3.24Å; I137-R139 VanDerWaalsContact C-N 3.27Å; I137-R139 PolarHBondContact O-N 3.44Å; R139-S144 VanDerWaalsContact O-CB 3.26Å; R139-S144 WeakPolarHBondContact O-CB 3.43Å; R139-S144 PolarHBondContact O-OG 3.4Å; R139-K154 PolarHBondContact NE-O 2.87Å; R139-K154 PolarHBondContact NH2-O 3.33Å |
| 140 | E | 80.3 | Confident | 76.4 | Confident | 121 Ų | 121 | 110.3 Ų | 110.3 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -91.8 | -5.3 | -177.7 | -55.8 | -56.4 | 142.3 | 0 | 0 | 112.5 | K154 | E140-K154 WeakPolarHBondContact OE1-CD 3.5Å; E140-K154 WeakPolarHBondContact OE1-CE 3.13Å; E140-K154 IonicContact OE1-NZ 2.92Å; E140-K154 PolarHBondContact OE1-NZ 2.95Å; E140-K154 WeakPolarHBondContact OE2-CE 3.26Å; E140-K154 IonicContact OE2-NZ 2.66Å; E140-K154 PolarHBondContact OE2-NZ 2.96Å |
| 141 | T | 79.8 | Confident | 76.6 | Confident | 46 Ų | 46 | 108.5 Ų | 108.5 | 28% | 0.282 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -72.2 | 143.1 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 109.3 | G138 T143 S144 | G138-T141 PolarHBondContact O-OG1 3.24Å; T141-T143 WeakPolarHBondContact CB-OG1 2.84Å; T141-T143 PolarHBondContact O-N 2.84Å; T141-T143 PolarHBondContact OG1-OG1 3.02Å; T141-S144 VanDerWaalsContact O-CB 3.27Å; T141-S144 WeakPolarHBondContact O-CB 3.39Å; T141-S144 PolarHBondContact O-N 2.82Å; T141-S144 PolarHBondContact O-OG 2.94Å |
| 142 | P | 73.6 | Confident | 77 | Confident | 129 Ų | 129 | 106 Ų | 106 | 84% | 0.838 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -13.6 | 179.7 | 23.8 | -34.1 | 0 | 0 | 0 | 113.3 | | |
| 143 | T | 71.4 | Confident | 77.2 | Confident | 111 Ų | 111 | 100.4 Ų | 100.4 | 68% | 0.681 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.9 | 173.1 | 43.9 | 0 | 0 | 0 | 0 | 114.5 | T141 A145 G146 | T141-T143 WeakPolarHBondContact CB-OG1 2.84Å; T141-T143 PolarHBondContact O-N 2.84Å; T141-T143 PolarHBondContact OG1-OG1 3.02Å; T143-A145 VanDerWaalsContact C-N 3.33Å; T143-A145 PolarHBondContact O-N 2.9Å; T143-G146 PolarHBondContact O-N 3.41Å |
| 144 | S | 74.3 | Confident | 77 | Confident | 26 Ų | 26 | 96.4 Ų | 96.4 | 18% | 0.182 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -37.9 | -174.1 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | G138 R139 T141 K152 | G138-S144 WeakPolarHBondContact O-CB 3.49Å; R139-S144 VanDerWaalsContact O-CB 3.26Å; R139-S144 WeakPolarHBondContact O-CB 3.43Å; R139-S144 PolarHBondContact O-OG 3.4Å; T141-S144 VanDerWaalsContact O-CB 3.27Å; T141-S144 WeakPolarHBondContact O-CB 3.39Å; T141-S144 PolarHBondContact O-N 2.82Å; T141-S144 PolarHBondContact O-OG 2.94Å; S144-K152 WeakPolarHBondContact O-CD 3.45Å; S144-K152 WeakPolarHBondContact O-CE 3.28Å; S144-K152 PolarHBondContact O-NZ 3.38Å |
| 145 | A | 75.3 | Confident | 77.1 | Confident | 49 Ų | 49 | 96.2 Ų | 96.2 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 62.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T143 S149 K152 | T143-A145 VanDerWaalsContact C-N 3.33Å; T143-A145 PolarHBondContact O-N 2.9Å; A145-S149 WeakPolarHBondContact CA-OG 3.5Å; A145-K152 VanDerWaalsContact CB-O 3.24Å; A145-K152 WeakPolarHBondContact CB-O 3.36Å |
| 146 | G | 79.5 | Confident | 77 | Confident | 23 Ų | 23 | 88.9 Ų | 88.9 | 24% | 0.237 | 50% | 0.503 | C | S | . | . | | | trans | -58.8 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T143 N148 S149 | T143-G146 PolarHBondContact O-N 3.41Å; G146-N148 PolarHBondContact O-N 3.02Å; G146-S149 PolarHBondContact N-OG 2.86Å; G146-S149 VanDerWaalsContact N-OG 3.14Å; G146-S149 VanDerWaalsContact O-CB 3.25Å; G146-S149 WeakPolarHBondContact O-CB 3.45Å; G146-S149 PolarHBondContact O-N 3.37Å; G146-S149 PolarHBondContact O-OG 3.45Å |
| 147 | P | 79.1 | Confident | 76.9 | Confident | 152 Ų | 152 | 91.5 Ų | 91.5 | 99% | 0.987 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.4 | -172.3 | -25.3 | 33.5 | 0 | 0 | 0 | 115.5 | | |
| 148 | N | 72.7 | Confident | 76.9 | Confident | 165 Ų | 165 | 87.2 Ų | 87.2 | 88% | 0.882 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 14.4 | 178.8 | -151.8 | 28.5 | 0 | 0 | 0 | 113.1 | G146 F150 | G146-N148 PolarHBondContact O-N 3.02Å; N148-F150 VanDerWaalsContact C-N 3.32Å; N148-F150 PolarHBondContact O-N 3.41Å |
| 149 | S | 71.4 | Confident | 77.1 | Confident | 31 Ų | 31 | 88.8 Ų | 88.8 | 22% | 0.217 | 49% | 0.488 | C | S | . | . | | | trans | -94.6 | 65.1 | -179.6 | 75.8 | 0 | 0 | 0 | 0 | 110.4 | A145 G146 N151 K152 | A145-S149 WeakPolarHBondContact CA-OG 3.5Å; G146-S149 PolarHBondContact N-OG 2.86Å; G146-S149 VanDerWaalsContact N-OG 3.14Å; G146-S149 VanDerWaalsContact O-CB 3.25Å; G146-S149 WeakPolarHBondContact O-CB 3.45Å; G146-S149 PolarHBondContact O-N 3.37Å; G146-S149 PolarHBondContact O-OG 3.45Å; S149-N151 PolarHBondContact O-N 2.99Å; S149-K152 PolarHBondContact O-N 3.39Å |
| 150 | F | 71.2 | Confident | 77.3 | Confident | 172 Ų | 172 | 88.8 Ų | 88.8 | 75% | 0.754 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 127.6 | 176.1 | -169 | -108.8 | 0 | 0 | 0 | 109.5 | N148 K152 F157 | N148-F150 VanDerWaalsContact C-N 3.32Å; N148-F150 PolarHBondContact O-N 3.41Å; F150-K152 PolarHBondContact O-N 3.14Å; F150-K152 VanDerWaalsContact O-N 3.08Å; F150-F157 WeakPolarHBondContact O-CE2 3.48Å |
| 151 | N | 72.6 | Confident | 77.5 | Confident | 32 Ų | 32 | 89 Ų | 89 | 17% | 0.171 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 13.8 | -178.5 | -77.1 | 72.4 | 0 | 0 | 0 | 117 | S149 F157 S158 N160 | S149-N151 PolarHBondContact O-N 2.99Å; N151-F157 HydrophobicContact CB-CD2 4.04Å; N151-F157 HydrophobicContact CB-CE2 3.78Å; N151-F157 HydrophobicContact CB-CZ 4.38Å; N151-F157 WeakPolarHBondContact O-CA 3.44Å; N151-S158 WeakPolarHBondContact CB-O 3.47Å; N151-S158 PolarHBondContact ND2-O 3.14Å; N151-S158 PolarHBondContact O-N 2.86Å; N151-N160 VanDerWaalsContact ND2-CG 3.35Å; N151-N160 PolarHBondContact ND2-ND2 3.37Å |
| 152 | K | 78.8 | Confident | 78 | Confident | 101 Ų | 101 | 93.7 Ų | 93.7 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 97.5 | 177.4 | -165.3 | -171.7 | 178.6 | -161.4 | 0 | 110.7 | S144 A145 S149 F150 G156 | S144-K152 WeakPolarHBondContact O-CD 3.45Å; S144-K152 WeakPolarHBondContact O-CE 3.28Å; S144-K152 PolarHBondContact O-NZ 3.38Å; A145-K152 VanDerWaalsContact CB-O 3.24Å; A145-K152 WeakPolarHBondContact CB-O 3.36Å; S149-K152 PolarHBondContact O-N 3.39Å; F150-K152 PolarHBondContact O-N 3.14Å; F150-K152 VanDerWaalsContact O-N 3.08Å; K152-G156 CarbonylContact C-O 3.5Å; K152-G156 WeakPolarHBondContact CA-O 3.44Å |
| 153 | G | 78.9 | Confident | 78.5 | Confident | 36 Ų | 36 | 92.4 Ų | 92.4 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -167.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q155 G156 | G153-Q155 PolarHBondContact O-N 3.24Å; G153-G156 PolarHBondContact N-O 2.84Å; G153-G156 PolarHBondContact O-N 3.17Å |
| 154 | K | 78.6 | Confident | 79.2 | Confident | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -31.1 | 170.7 | 175.2 | 71 | 171.1 | -123.1 | 0 | 113.3 | R139 E140 | R139-K154 PolarHBondContact NE-O 2.87Å; R139-K154 PolarHBondContact NH2-O 3.33Å; E140-K154 WeakPolarHBondContact OE1-CD 3.5Å; E140-K154 WeakPolarHBondContact OE1-CE 3.13Å; E140-K154 IonicContact OE1-NZ 2.92Å; E140-K154 PolarHBondContact OE1-NZ 2.95Å; E140-K154 WeakPolarHBondContact OE2-CE 3.26Å; E140-K154 IonicContact OE2-NZ 2.66Å; E140-K154 PolarHBondContact OE2-NZ 2.96Å |
| 155 | Q | 77.9 | Confident | 80 | Confident | 154 Ų | 154 | 98.1 Ų | 98.1 | 72% | 0.72 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 7.2 | -179.6 | -57.1 | -61 | -12.4 | 0 | 0 | 113.6 | G153 | G153-Q155 PolarHBondContact O-N 3.24Š|
| 156 | G | 82.3 | Confident | 80.7 | Confident | 25 Ų | 25 | 104.9 Ų | 104.9 | 26% | 0.258 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.1 | -152.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K152 G153 S158 | K152-G156 CarbonylContact C-O 3.5Å; K152-G156 WeakPolarHBondContact CA-O 3.44Å; G153-G156 PolarHBondContact N-O 2.84Å; G153-G156 PolarHBondContact O-N 3.17Å; G156-S158 PolarHBondContact O-N 2.87Å |
| 157 | F | 78.3 | Confident | 81.2 | Confident | 158 Ų | 158 | 110.8 Ų | 110.8 | 69% | 0.693 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 115.9 | -179.2 | -170.8 | -101.7 | 0 | 0 | 0 | 110.3 | F150 N151 | F150-F157 WeakPolarHBondContact O-CE2 3.48Å; N151-F157 HydrophobicContact CB-CD2 4.04Å; N151-F157 HydrophobicContact CB-CE2 3.78Å; N151-F157 HydrophobicContact CB-CZ 4.38Å; N151-F157 WeakPolarHBondContact O-CA 3.44Å |
| 158 | S | 77.7 | Confident | 81.7 | Confident | 41 Ų | 41 | 107.9 Ų | 107.9 | 29% | 0.287 | 52% | 0.518 | S | S | . | . | | | trans | -122.1 | 124 | 174.5 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | N151 G156 N160 | N151-S158 WeakPolarHBondContact CB-O 3.47Å; N151-S158 PolarHBondContact ND2-O 3.14Å; N151-S158 PolarHBondContact O-N 2.86Å; G156-S158 PolarHBondContact O-N 2.87Å; S158-N160 PolarHBondContact O-N 3.4Å |
| 159 | D | 85.5 | Confident | 82.5 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | | | trans | -70.5 | 120.8 | 169.9 | 176.1 | 13.4 | 0 | 0 | 0 | 110.1 | Q161 K162 L163 | D159-Q161 VanDerWaalsContact C-N 3.28Å; D159-Q161 PolarHBondContact O-N 3.44Å; D159-Q161 PolarHBondContact OD1-N 3.42Å; D159-K162 HydrophobicContact CB-CB 4.1Å; D159-K162 PolarHBondContact O-N 3.08Å; D159-L163 PolarHBondContact O-N 3.3Å; D159-L163 VanDerWaalsContact O-N 3.09Å |
| 160 | N | 83.2 | Confident | 83.4 | Confident | 102 Ų | 102 | 107.4 Ų | 107.4 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | -179.7 | -75.2 | -44.5 | 0 | 0 | 0 | 111.9 | N151 S158 L163 W164 | N151-N160 VanDerWaalsContact ND2-CG 3.35Å; N151-N160 PolarHBondContact ND2-ND2 3.37Å; S158-N160 PolarHBondContact O-N 3.4Å; N160-L163 PolarHBondContact O-N 3.04Å; N160-W164 WeakPolarHBondContact O-CB 3.03Å; N160-W164 PolarHBondContact O-N 3.23Å |
| 161 | Q | 86.4 | Confident | 84.2 | Confident | 126 Ų | 126 | 105.1 Ų | 105.1 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -50.2 | -179.8 | -179.8 | 173.7 | -2.7 | 0 | 0 | 110.4 | D159 L163 W164 E165 | D159-Q161 VanDerWaalsContact C-N 3.28Å; D159-Q161 PolarHBondContact O-N 3.44Å; D159-Q161 PolarHBondContact OD1-N 3.42Å; Q161-L163 VanDerWaalsContact C-N 3.25Å; Q161-L163 PolarHBondContact O-N 2.82Å; Q161-W164 WeakPolarHBondContact O-CB 3.46Å; Q161-W164 PolarHBondContact O-N 2.87Å; Q161-W164 VanDerWaalsContact O-N 3.11Å; Q161-E165 WeakPolarHBondContact O-CG 3.32Å; Q161-E165 PolarHBondContact O-N 2.67Å |
| 162 | K | 88.6 | Confident | 84.8 | Confident | 144 Ų | 144 | 107 Ų | 107 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -33.8 | 177.2 | -158.8 | 126 | -176.8 | 170.9 | 0 | 112.8 | D159 R166 | D159-K162 HydrophobicContact CB-CB 4.1Å; D159-K162 PolarHBondContact O-N 3.08Å; K162-R166 WeakPolarHBondContact O-CB 3.27Å; K162-R166 PolarHBondContact O-N 3Å; K162-R166 VanDerWaalsContact O-N 3.08Å |
| 163 | L | 83.9 | Confident | 84.8 | Confident | 101 Ų | 101 | 107.8 Ų | 107.8 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176 | -148.8 | 82.5 | 0 | 0 | 0 | 111.7 | D159 N160 Q161 R166 K167 | D159-L163 PolarHBondContact O-N 3.3Å; D159-L163 VanDerWaalsContact O-N 3.09Å; N160-L163 PolarHBondContact O-N 3.04Å; Q161-L163 VanDerWaalsContact C-N 3.25Å; Q161-L163 PolarHBondContact O-N 2.82Å; L163-R166 PolarHBondContact O-N 3.27Å; L163-K167 WeakPolarHBondContact O-CB 3.24Å; L163-K167 PolarHBondContact O-N 3.48Å |
| 164 | W | 86.7 | Confident | 84.6 | Confident | 165 Ų | 165 | 112.8 Ų | 112.8 | 63% | 0.625 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -47 | 177.4 | -177.9 | 75 | 0 | 0 | 0 | 111.8 | N160 Q161 R166 K167 L168 | N160-W164 WeakPolarHBondContact O-CB 3.03Å; N160-W164 PolarHBondContact O-N 3.23Å; Q161-W164 WeakPolarHBondContact O-CB 3.46Å; Q161-W164 PolarHBondContact O-N 2.87Å; Q161-W164 VanDerWaalsContact O-N 3.11Å; W164-R166 VanDerWaalsContact C-N 3.32Å; W164-R166 PolarHBondContact O-N 3.28Å; W164-K167 WeakPolarHBondContact O-CB 3.11Å; W164-K167 PolarHBondContact O-N 3.21Å; W164-K167 VanDerWaalsContact O-N 3.13Å; W164-L168 HydrophobicContact CD2-CD1 4.24Å; W164-L168 HydrophobicContact CE3-CD1 4.27Å; W164-L168 HydrophobicContact CH2-CD1 3.75Å; W164-L168 HydrophobicContact CZ2-CD1 3.69Å; W164-L168 HydrophobicContact CZ3-CD1 4.04Å; W164-L168 PolarHBondContact O-N 3.46Å |
| 165 | E | 92.3 | Very high | 83.6 | Confident | 92 Ų | 92 | 117.8 Ų | 117.8 | 43% | 0.43 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.2 | -44.6 | 174.4 | -70.7 | 172.2 | -174.2 | 0 | 0 | 111.8 | Q161 K167 L168 K169 | Q161-E165 WeakPolarHBondContact O-CG 3.32Å; Q161-E165 PolarHBondContact O-N 2.67Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.39Å; E165-L168 PolarHBondContact O-N 3.31Å; E165-K169 WeakPolarHBondContact O-CB 3.36Å; E165-K169 PolarHBondContact O-N 3.06Å |
| 166 | R | 89.9 | Confident | 83.9 | Confident | 192 Ų | 192 | 116 Ų | 116 | 73% | 0.725 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.5 | -33.2 | 179.1 | -155.6 | 173.1 | 95.3 | 140.8 | 5 | 112.4 | K162 L163 W164 A170 | K162-R166 WeakPolarHBondContact O-CB 3.27Å; K162-R166 PolarHBondContact O-N 3Å; K162-R166 VanDerWaalsContact O-N 3.08Å; L163-R166 PolarHBondContact O-N 3.27Å; W164-R166 VanDerWaalsContact C-N 3.32Å; W164-R166 PolarHBondContact O-N 3.28Å; R166-A170 VanDerWaalsContact O-CB 3.31Å; R166-A170 WeakPolarHBondContact O-CB 3.38Å; R166-A170 PolarHBondContact O-N 3.37Å |
| 167 | K | 88.4 | Confident | 84 | Confident | 146 Ų | 146 | 120.7 Ų | 120.7 | 64% | 0.635 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.2 | -42.2 | 174.4 | -174.4 | -179.6 | 176.4 | -176.6 | 0 | 111.1 | L163 W164 E165 Q171 | L163-K167 WeakPolarHBondContact O-CB 3.24Å; L163-K167 PolarHBondContact O-N 3.48Å; W164-K167 WeakPolarHBondContact O-CB 3.11Å; W164-K167 PolarHBondContact O-N 3.21Å; W164-K167 VanDerWaalsContact O-N 3.13Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.39Å; K167-Q171 WeakPolarHBondContact O-CG 3.25Å; K167-Q171 PolarHBondContact O-N 3.16Å |
| 168 | L | 90.6 | Very high | 84.3 | Confident | 92 Ų | 92 | 118.7 Ų | 118.7 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.7 | -46.1 | 174.7 | -71.4 | -176.9 | 0 | 0 | 0 | 111.6 | W164 E165 A170 Q171 S172 | W164-L168 HydrophobicContact CD2-CD1 4.24Å; W164-L168 HydrophobicContact CE3-CD1 4.27Å; W164-L168 HydrophobicContact CH2-CD1 3.75Å; W164-L168 HydrophobicContact CZ2-CD1 3.69Å; W164-L168 HydrophobicContact CZ3-CD1 4.04Å; W164-L168 PolarHBondContact O-N 3.46Å; E165-L168 PolarHBondContact O-N 3.31Å; L168-A170 PolarHBondContact O-N 3.24Å; L168-Q171 WeakPolarHBondContact O-CB 3.4Å; L168-Q171 PolarHBondContact O-N 3.5Å; L168-Q171 VanDerWaalsContact O-N 3.1Å; L168-S172 PolarHBondContact O-N 3.17Å |
| 169 | K | 90.1 | Very high | 84.7 | Confident | 133 Ų | 133 | 123.2 Ų | 123.2 | 58% | 0.578 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.3 | -42.1 | 177.8 | -175 | 167.7 | -176.3 | 164.1 | 0 | 113 | E165 Q171 S172 D173 | E165-K169 WeakPolarHBondContact O-CB 3.36Å; E165-K169 PolarHBondContact O-N 3.06Å; K169-Q171 PolarHBondContact O-N 3.45Å; K169-S172 WeakPolarHBondContact CA-OG 3.43Å; K169-S172 PolarHBondContact O-N 3.46Å; K169-S172 PolarHBondContact O-OG 3.2Å; K169-D173 WeakPolarHBondContact O-CB 3.48Å; K169-D173 VanDerWaalsContact O-CG 3.26Å; K169-D173 PolarHBondContact O-N 3.36Å |
| 170 | A | 90.7 | Very high | 84.6 | Confident | 53 Ų | 53 | 126.1 Ų | 126.1 | 44% | 0.438 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.6 | -21.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R166 L168 | R166-A170 VanDerWaalsContact O-CB 3.31Å; R166-A170 WeakPolarHBondContact O-CB 3.38Å; R166-A170 PolarHBondContact O-N 3.37Å; L168-A170 PolarHBondContact O-N 3.24Å |
| 171 | Q | 86.9 | Confident | 84.7 | Confident | 124 Ų | 124 | 127.7 Ų | 127.7 | 58% | 0.579 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81 | -39 | 172.9 | -69.5 | -83.3 | -12.8 | 0 | 0 | 110.8 | K167 L168 K169 K174 | K167-Q171 WeakPolarHBondContact O-CG 3.25Å; K167-Q171 PolarHBondContact O-N 3.16Å; L168-Q171 WeakPolarHBondContact O-CB 3.4Å; L168-Q171 PolarHBondContact O-N 3.5Å; L168-Q171 VanDerWaalsContact O-N 3.1Å; K169-Q171 PolarHBondContact O-N 3.45Å; Q171-K174 PolarHBondContact O-N 3.37Å |
| 172 | S | 85.4 | Confident | 84.6 | Confident | 71 Ų | 71 | 127.9 Ų | 127.9 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67 | -38.8 | 175.1 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | L168 K169 K174 L175 | L168-S172 PolarHBondContact O-N 3.17Å; K169-S172 WeakPolarHBondContact CA-OG 3.43Å; K169-S172 PolarHBondContact O-N 3.46Å; K169-S172 PolarHBondContact O-OG 3.2Å; S172-K174 PolarHBondContact O-N 3.21Å; S172-L175 PolarHBondContact O-N 3.19Å |
| 173 | D | 79.1 | Confident | 84.3 | Confident | 117 Ų | 117 | 126.6 Ų | 126.6 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -5.5 | 179.6 | -66.4 | -13.2 | 0 | 0 | 0 | 113.3 | K169 | K169-D173 WeakPolarHBondContact O-CB 3.48Å; K169-D173 VanDerWaalsContact O-CG 3.26Å; K169-D173 PolarHBondContact O-N 3.36Å |
| 174 | K | 74.9 | Confident | 84.3 | Confident | 141 Ų | 141 | 128.8 Ų | 128.8 | 61% | 0.613 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -4.7 | 177.7 | -94.5 | -179.1 | 179.1 | 178.1 | 0 | 113.9 | Q171 S172 | Q171-K174 PolarHBondContact O-N 3.37Å; S172-K174 PolarHBondContact O-N 3.21Å |
| 175 | L | 57.1 | Low | 84.1 | Confident | 219 Ų | 219 | 125.5 Ų | 125.5 | 100% | 1.147 | 61% | 0.613 | S | S | * | * | | | trans | -90.1 | 0 | 170.7 | -149.3 | 91.8 | 0 | 0 | 0 | 109.1 | S172 | S172-L175 PolarHBondContact O-N 3.19Š|