| 1 | M | 56.3 | Low | 58.7 | Low | 217 Ų | 217 | 148.7 Ų | 148.7 | 100% | 1.069 | 85% | 0.848 | S | S | * | * | | | | 0 | 119.1 | 0 | -81.9 | -74.8 | -118.1 | 0 | 0 | 108.8 | | |
| 2 | H | 59.6 | Low | 58.3 | Low | 157 Ų | 157 | 145.6 Ų | 145.6 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | | | trans | 49.8 | 95.5 | 163.5 | -56.4 | 99.5 | 0 | 0 | 0 | 119.7 | | |
| 3 | L | 48.7 | Very low | 58.3 | Low | 165 Ų | 165 | 152.5 Ų | 152.5 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | | | trans | -72.4 | 142.5 | 147.5 | -71.5 | 88.1 | 0 | 0 | 0 | 109.3 | | |
| 4 | K | 66.1 | Low | 57.8 | Low | 199 Ų | 199 | 155.4 Ų | 155.4 | 87% | 0.865 | 84% | 0.844 | S | S | * | * | | | trans | -137.1 | 92.4 | 161.4 | -83.2 | -169.6 | 176.1 | -179 | 0 | 110.3 | | |
| 5 | T | 55.6 | Low | 57.9 | Low | 139 Ų | 139 | 151.7 Ų | 151.7 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | | | trans | -75.3 | 124.7 | 160.4 | 41.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 6 | A | 67.4 | Low | 57.5 | Low | 107 Ų | 107 | 149.9 Ų | 149.9 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | | | trans | -109.8 | 118.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 7 | A | 56.3 | Low | 57.3 | Low | 93 Ų | 93 | 152.1 Ų | 152.1 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -104.5 | 131.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 8 | M | 61.8 | Low | 57.2 | Low | 179 Ų | 179 | 151.7 Ų | 151.7 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | | | trans | -157.8 | 99.5 | 152.9 | -61.6 | -160 | 96.9 | 0 | 0 | 104.5 | | |
| 9 | E | 54.9 | Low | 56.6 | Low | 194 Ų | 194 | 149.3 Ų | 149.3 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | | | | 63.3 | 77.1 | 62.7 | -151.6 | 172.9 | -138.3 | 0 | 0 | 112.4 | | |
| 10 | S | 63.5 | Low | 56.3 | Low | 123 Ų | 123 | 149.9 Ų | 149.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -120.5 | 86.6 | 169.7 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 11 | G | 54.9 | Low | 55.8 | Low | 63 Ų | 63 | 152.8 Ų | 152.8 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | | | trans | -68.1 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 12 | P | 54 | Low | 55.6 | Low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -82.8 | 135 | -144.1 | 30.1 | -36.5 | 0 | 0 | 0 | 115.2 | F14 | P12-F14 HydrophobicContact CG-CD2 4.44Å; P12-F14 PolarHBondContact O-N 3.27Å |
| 13 | Y | 58 | Low | 55.2 | Low | 235 Ų | 235 | 149.3 Ų | 149.3 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | | | trans | -69.9 | 96.6 | 165.8 | -116.4 | -98.7 | 0 | 0 | 0 | 110.5 | S15 | Y13-S15 PolarHBondContact O-N 3.48Š|
| 14 | F | 52.4 | Low | 55.4 | Low | 193 Ų | 193 | 148.9 Ų | 148.9 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -67.3 | 87.9 | 173.8 | -113.2 | -99.3 | 0 | 0 | 0 | 110.6 | P12 N16 | P12-F14 HydrophobicContact CG-CD2 4.44Å; P12-F14 PolarHBondContact O-N 3.27Å; F14-N16 PolarHBondContact O-N 3.47Å |
| 15 | S | 58.5 | Low | 54.7 | Low | 101 Ų | 101 | 146.2 Ų | 146.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -77.5 | 113.2 | 174.3 | -174 | 0 | 0 | 0 | 0 | 110.9 | Y13 Q17 | Y13-S15 PolarHBondContact O-N 3.48Å; S15-Q17 VanDerWaalsContact C-N 3.34Å; S15-Q17 PolarHBondContact O-N 2.78Å |
| 16 | N | 51.8 | Low | 54.3 | Low | 123 Ų | 123 | 150.3 Ų | 150.3 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 70.2 | -170.1 | -173.7 | 28.7 | 0 | 0 | 0 | 113 | F14 Q18 | F14-N16 PolarHBondContact O-N 3.47Å; N16-Q18 VanDerWaalsContact C-N 3.31Å; N16-Q18 PolarHBondContact ND2-NE2 3.45Å; N16-Q18 PolarHBondContact O-N 3.11Å; N16-Q18 WeakPolarHBondContact OD1-CG 3.49Å; N16-Q18 PolarHBondContact OD1-NE2 3.09Å; N16-Q18 VanDerWaalsContact OD1-NE2 3.16Å |
| 17 | Q | 54.8 | Low | 53.7 | Low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -74.5 | 81.8 | 170 | -76.5 | -164.7 | 11.8 | 0 | 0 | 111.5 | S15 S19 | S15-Q17 VanDerWaalsContact C-N 3.34Å; S15-Q17 PolarHBondContact O-N 2.78Å; Q17-S19 PolarHBondContact O-N 3.49Å; Q17-S19 VanDerWaalsContact O-N 3.15Å |
| 18 | Q | 53.8 | Low | 53.4 | Low | 146 Ų | 146 | 155.5 Ų | 155.5 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | | | trans | -72 | 107.3 | 173.8 | -61.4 | -165 | -4.7 | 0 | 0 | 111.7 | N16 I20 | N16-Q18 VanDerWaalsContact C-N 3.31Å; N16-Q18 PolarHBondContact ND2-NE2 3.45Å; N16-Q18 PolarHBondContact O-N 3.11Å; N16-Q18 WeakPolarHBondContact OD1-CG 3.49Å; N16-Q18 PolarHBondContact OD1-NE2 3.09Å; N16-Q18 VanDerWaalsContact OD1-NE2 3.16Å; Q18-I20 PolarHBondContact O-N 3.24Å |
| 19 | S | 46.5 | Very low | 52.8 | Low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | | 40.3 | 69.7 | 124.5 | -174.1 | 0 | 0 | 0 | 0 | 117.8 | Q17 | Q17-S19 PolarHBondContact O-N 3.49Å; Q17-S19 VanDerWaalsContact O-N 3.15Å |
| 20 | I | 50.3 | Low | 52.8 | Low | 161 Ų | 161 | 148.6 Ų | 148.6 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | -114.1 | 65.5 | 143.4 | -49.4 | -178.2 | 0 | 0 | 0 | 108.4 | Q18 T22 | Q18-I20 PolarHBondContact O-N 3.24Å; I20-T22 PolarHBondContact O-N 3.38Å |
| 21 | R | 46.8 | Very low | 52.1 | Low | 212 Ų | 212 | 153.9 Ų | 153.9 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -80.7 | 98.4 | 162.7 | -74 | -179.6 | 174.4 | 161.9 | -0.7 | 107.6 | | |
| 22 | T | 50.8 | Low | 52 | Low | 86 Ų | 86 | 161.4 Ų | 161.4 | 53% | 0.528 | 80% | 0.797 | S | S | . | * | | | trans | -52.3 | 144.4 | 168 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | I20 E24 | I20-T22 PolarHBondContact O-N 3.38Å; T22-E24 PolarHBondContact O-N 3.49Å |
| 23 | K | 51.4 | Low | 52 | Low | 215 Ų | 215 | 159.4 Ų | 159.4 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 25.6 | -173.4 | -68.6 | -177.5 | 177.1 | 175.8 | 0 | 113.6 | | |
| 24 | E | 53.2 | Low | 51.7 | Low | 155 Ų | 155 | 158.3 Ų | 158.3 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -35.7 | -168.7 | -83.8 | 172.1 | 128.8 | 0 | 0 | 115 | T22 R26 | T22-E24 PolarHBondContact O-N 3.49Å; E24-R26 VanDerWaalsContact C-N 3.35Å; E24-R26 PolarHBondContact O-N 3.49Å; E24-R26 VanDerWaalsContact O-N 3.15Å |
| 25 | D | 51.7 | Low | 51.5 | Low | 143 Ų | 143 | 153.1 Ų | 153.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -88.7 | 24.3 | -168.4 | -66.6 | -42.9 | 0 | 0 | 0 | 116.5 | | |
| 26 | R | 47.5 | Very low | 51.4 | Low | 225 Ų | 225 | 153.7 Ų | 153.7 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | | | trans | -112.2 | 34 | 179.8 | -84.7 | -171.2 | 172.5 | -176 | -2.8 | 115.2 | E24 | E24-R26 VanDerWaalsContact C-N 3.35Å; E24-R26 PolarHBondContact O-N 3.49Å; E24-R26 VanDerWaalsContact O-N 3.15Å |
| 27 | K | 53.6 | Low | 51.7 | Low | 206 Ų | 206 | 155.7 Ų | 155.7 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | | | trans | -120.1 | 7.3 | 176.4 | -74.4 | -177 | 177.9 | 172.8 | 0 | 115.8 | | |
| 28 | A | 51 | Low | 52 | Low | 103 Ų | 103 | 149.1 Ų | 149.1 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -107 | 26.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 29 | A | 50.2 | Low | 52.5 | Low | 86 Ų | 86 | 148.5 Ų | 148.5 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | -154.6 | 97.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 30 | T | 53.1 | Low | 53.7 | Low | 143 Ų | 143 | 150.5 Ų | 150.5 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | | | trans | 179.6 | 155.8 | 147.1 | 21.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 31 | R | 49.7 | Very low | 55 | Low | 233 Ų | 233 | 151.5 Ų | 151.5 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | | | trans | 68.1 | 74.5 | 167.8 | -67.4 | 178 | 169.3 | -172.1 | -5.6 | 117 | G33 | R31-G33 PolarHBondContact O-N 3.48Š|
| 32 | K | 52.9 | Low | 56.6 | Low | 222 Ų | 222 | 145.3 Ų | 145.3 | 97% | 0.965 | 74% | 0.74 | S | S | * | * | | | trans | -49.9 | 121.5 | 131.1 | -68.5 | -174.7 | 178 | -177.6 | 0 | 107.5 | | |
| 33 | G | 53.6 | Low | 58.1 | Low | 68 Ų | 68 | 144.1 Ų | 144.1 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | trans | 157.1 | 42.9 | -169 | 0 | 0 | 0 | 0 | 0 | 112.1 | R31 S35 | R31-G33 PolarHBondContact O-N 3.48Å; G33-S35 VanDerWaalsContact C-N 3.34Å; G33-S35 PolarHBondContact O-N 3.46Å |
| 34 | R | 51.1 | Low | 59.8 | Low | 213 Ų | 213 | 139.9 Ų | 139.9 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | -83.7 | 71.8 | -162.8 | -154.4 | 174.5 | -162 | 171.8 | 5.1 | 111.7 | T36 | R34-T36 PolarHBondContact O-N 3.32Å; R34-T36 VanDerWaalsContact O-N 3.14Å |
| 35 | S | 49.4 | Very low | 61.5 | Low | 83 Ų | 83 | 136.7 Ų | 136.7 | 58% | 0.58 | 71% | 0.711 | S | S | * | * | | | trans | -52.5 | 117.1 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | G33 K37 G38 | G33-S35 VanDerWaalsContact C-N 3.34Å; G33-S35 PolarHBondContact O-N 3.46Å; S35-K37 PolarHBondContact O-N 3.41Å; S35-G38 PolarHBondContact O-N 3.28Å |
| 36 | T | 57.1 | Low | 63.3 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.693 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -60.3 | -30.2 | -176.2 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | R34 G38 K39 M40 | R34-T36 PolarHBondContact O-N 3.32Å; R34-T36 VanDerWaalsContact O-N 3.14Å; T36-G38 PolarHBondContact O-N 3.35Å; T36-G38 VanDerWaalsContact O-N 3.16Å; T36-K39 PolarHBondContact O-N 3.16Å; T36-M40 PolarHBondContact O-N 3.04Å |
| 37 | K | 58.1 | Low | 65.2 | Low | 166 Ų | 166 | 127.8 Ų | 127.8 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -56.2 | -30 | 176.8 | -65.2 | -174.6 | 177.5 | -178.6 | 0 | 113.4 | S35 R41 | S35-K37 PolarHBondContact O-N 3.41Å; K37-R41 PolarHBondContact O-N 2.82Å; K37-R41 VanDerWaalsContact O-N 3.13Å |
| 38 | G | 60.3 | Low | 66.8 | Low | 48 Ų | 48 | 122.6 Ų | 122.6 | 50% | 0.495 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -68 | -40.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S35 T36 R41 S42 | S35-G38 PolarHBondContact O-N 3.28Å; T36-G38 PolarHBondContact O-N 3.35Å; T36-G38 VanDerWaalsContact O-N 3.16Å; G38-R41 PolarHBondContact O-N 3.32Å; G38-S42 PolarHBondContact O-N 3.3Å |
| 39 | K | 64.6 | Low | 68.4 | Low | 132 Ų | 132 | 121.9 Ų | 121.9 | 57% | 0.574 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.3 | -46.1 | 177.9 | -68.6 | -176 | 176.7 | -176.1 | 0 | 111.2 | T36 R41 S42 A43 | T36-K39 PolarHBondContact O-N 3.16Å; K39-R41 PolarHBondContact O-N 3.39Å; K39-S42 PolarHBondContact O-N 3.16Å; K39-A43 PolarHBondContact O-N 2.98Å |
| 40 | M | 71.3 | Confident | 70.1 | Confident | 147 Ų | 147 | 121.7 Ų | 121.7 | 72% | 0.724 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -56.8 | -46.1 | 174.9 | -89.8 | -177.4 | 69.8 | 0 | 0 | 112.2 | T36 S42 A43 M44 | T36-M40 PolarHBondContact O-N 3.04Å; M40-S42 VanDerWaalsContact C-N 3.31Å; M40-S42 PolarHBondContact O-N 3.4Å; M40-A43 PolarHBondContact O-N 3.16Å; M40-M44 VanDerWaalsContact O-CB 3.29Å; M40-M44 WeakPolarHBondContact O-CB 3.35Å; M40-M44 PolarHBondContact O-N 3.2Å |
| 41 | R | 77.7 | Confident | 71.4 | Confident | 182 Ų | 182 | 119.5 Ų | 119.5 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.7 | -38.8 | -178.7 | -163.4 | 174.7 | -173.8 | 176.7 | 2.2 | 112.1 | K37 G38 K39 L45 | K37-R41 PolarHBondContact O-N 2.82Å; K37-R41 VanDerWaalsContact O-N 3.13Å; G38-R41 PolarHBondContact O-N 3.32Å; K39-R41 PolarHBondContact O-N 3.39Å; R41-L45 HydrophobicContact CG-CD1 4.34Å; R41-L45 WeakPolarHBondContact O-CB 2.9Å; R41-L45 WeakPolarHBondContact O-CD1 3.48Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 3.04Å |
| 42 | S | 79.8 | Confident | 72.9 | Confident | 82 Ų | 82 | 114.1 Ų | 114.1 | 57% | 0.573 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65 | -48.1 | 174.5 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | G38 K39 M40 M44 L45 A46 | G38-S42 PolarHBondContact O-N 3.3Å; K39-S42 PolarHBondContact O-N 3.16Å; M40-S42 VanDerWaalsContact C-N 3.31Å; M40-S42 PolarHBondContact O-N 3.4Å; S42-M44 VanDerWaalsContact C-N 3.34Å; S42-M44 PolarHBondContact O-N 2.77Å; S42-L45 PolarHBondContact O-N 3.29Å; S42-A46 PolarHBondContact O-N 3.27Å |
| 43 | A | 84.2 | Confident | 73.9 | Confident | 61 Ų | 61 | 109.6 Ų | 109.6 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.2 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | K39 M40 A46 F47 | K39-A43 PolarHBondContact O-N 2.98Å; M40-A43 PolarHBondContact O-N 3.16Å; A43-A46 PolarHBondContact O-N 2.89Å; A43-F47 WeakPolarHBondContact O-CB 3.26Å; A43-F47 PolarHBondContact O-N 3.4Å |
| 44 | M | 86.2 | Confident | 74.8 | Confident | 126 Ų | 126 | 112.4 Ų | 112.4 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -40.4 | 177 | -173.8 | 179.8 | 70.1 | 0 | 0 | 112.3 | M40 S42 F47 Q48 | M40-M44 VanDerWaalsContact O-CB 3.29Å; M40-M44 WeakPolarHBondContact O-CB 3.35Å; M40-M44 PolarHBondContact O-N 3.2Å; S42-M44 VanDerWaalsContact C-N 3.34Å; S42-M44 PolarHBondContact O-N 2.77Å; M44-F47 PolarHBondContact O-N 3.43Å; M44-Q48 WeakPolarHBondContact O-CB 3.49Å; M44-Q48 PolarHBondContact O-N 2.85Å |
| 45 | L | 89.5 | Confident | 75.4 | Confident | 88 Ų | 88 | 105 Ų | 105 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -44.1 | 173.3 | -81.4 | 160.1 | 0 | 0 | 0 | 111.7 | R41 S42 Q48 N49 | R41-L45 HydrophobicContact CG-CD1 4.34Å; R41-L45 WeakPolarHBondContact O-CB 2.9Å; R41-L45 WeakPolarHBondContact O-CD1 3.48Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 3.04Å; S42-L45 PolarHBondContact O-N 3.29Å; L45-Q48 PolarHBondContact O-N 3.49Å; L45-N49 WeakPolarHBondContact O-CB 3.42Å; L45-N49 PolarHBondContact O-N 3.39Å |
| 46 | A | 88.9 | Confident | 75.8 | Confident | 61 Ų | 61 | 103.7 Ų | 103.7 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S42 A43 N49 M50 | S42-A46 PolarHBondContact O-N 3.27Å; A43-A46 PolarHBondContact O-N 2.89Å; A46-N49 PolarHBondContact O-N 2.87Å; A46-M50 WeakPolarHBondContact O-CB 3.45Å; A46-M50 PolarHBondContact O-N 3.49Å |
| 47 | F | 86.3 | Confident | 75.9 | Confident | 120 Ų | 120 | 105.7 Ų | 105.7 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.3 | -177 | -97.3 | 0 | 0 | 0 | 112 | A43 M44 N49 M50 M51 | A43-F47 WeakPolarHBondContact O-CB 3.26Å; A43-F47 PolarHBondContact O-N 3.4Å; M44-F47 PolarHBondContact O-N 3.43Å; F47-N49 VanDerWaalsContact C-N 3.32Å; F47-N49 PolarHBondContact O-N 3.27Å; F47-M50 HydrophobicContact CD2-CE 3.59Å; F47-M50 HydrophobicContact CE2-CE 3.92Å; F47-M50 PolarHBondContact O-N 3.35Å; F47-M51 HydrophobicContact CD1-CG 4.06Å; F47-M51 HydrophobicContact CE1-CG 3.66Å; F47-M51 HydrophobicContact CE1-SD 4.46Å; F47-M51 HydrophobicContact CE2-CG 4.29Å; F47-M51 HydrophobicContact CE2-SD 4.46Å; F47-M51 HydrophobicContact CZ-CG 3.79Å; F47-M51 HydrophobicContact CZ-SD 4.03Å; F47-M51 WeakPolarHBondContact O-CG 3.42Å; F47-M51 PolarHBondContact O-N 3.28Å |
| 48 | Q | 87.7 | Confident | 75.6 | Confident | 97 Ų | 97 | 104.6 Ų | 104.6 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 177.3 | -164.6 | -167.5 | 62.3 | 0 | 0 | 111.5 | M44 L45 M51 K52 | M44-Q48 WeakPolarHBondContact O-CB 3.49Å; M44-Q48 PolarHBondContact O-N 2.85Å; L45-Q48 PolarHBondContact O-N 3.49Å; Q48-M51 PolarHBondContact O-N 3.23Å; Q48-K52 HydrophobicContact CG-CD 4.45Å; Q48-K52 WeakPolarHBondContact O-CB 3.47Å; Q48-K52 WeakPolarHBondContact O-CG 3.33Å; Q48-K52 PolarHBondContact O-N 3.46Å |
| 49 | N | 85.4 | Confident | 75.4 | Confident | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 176 | -73.1 | -14.8 | 0 | 0 | 0 | 112 | L45 A46 F47 M51 K52 M53 | L45-N49 WeakPolarHBondContact O-CB 3.42Å; L45-N49 PolarHBondContact O-N 3.39Å; A46-N49 PolarHBondContact O-N 2.87Å; F47-N49 VanDerWaalsContact C-N 3.32Å; F47-N49 PolarHBondContact O-N 3.27Å; N49-M51 PolarHBondContact O-N 2.94Å; N49-K52 PolarHBondContact O-N 3.35Å; N49-M53 WeakPolarHBondContact O-CB 3.47Å; N49-M53 VanDerWaalsContact O-CG 3.28Å; N49-M53 WeakPolarHBondContact O-CG 3.46Å; N49-M53 PolarHBondContact O-N 3.12Å |
| 50 | M | 84.8 | Confident | 74.9 | Confident | 82 Ų | 82 | 104.2 Ų | 104.2 | 40% | 0.404 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 172.9 | 178.3 | -179.3 | 56.7 | 0 | 0 | 111.6 | A46 F47 M53 K54 | A46-M50 WeakPolarHBondContact O-CB 3.45Å; A46-M50 PolarHBondContact O-N 3.49Å; F47-M50 HydrophobicContact CD2-CE 3.59Å; F47-M50 HydrophobicContact CE2-CE 3.92Å; F47-M50 PolarHBondContact O-N 3.35Å; M50-M53 PolarHBondContact O-N 2.8Å; M50-K54 HydrophobicContact CG-CD 4.2Å; M50-K54 HydrophobicContact CG-CG 4.48Å; M50-K54 WeakPolarHBondContact O-CB 3.28Å; M50-K54 WeakPolarHBondContact O-CG 3.47Å; M50-K54 PolarHBondContact O-N 2.85Å |
| 51 | M | 82 | Confident | 74 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 48% | 0.478 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.5 | -70.7 | -62 | -75.9 | 0 | 0 | 111.5 | F47 Q48 N49 M53 K54 A55 | F47-M51 HydrophobicContact CD1-CG 4.06Å; F47-M51 HydrophobicContact CE1-CG 3.66Å; F47-M51 HydrophobicContact CE1-SD 4.46Å; F47-M51 HydrophobicContact CE2-CG 4.29Å; F47-M51 HydrophobicContact CE2-SD 4.46Å; F47-M51 HydrophobicContact CZ-CG 3.79Å; F47-M51 HydrophobicContact CZ-SD 4.03Å; F47-M51 WeakPolarHBondContact O-CG 3.42Å; F47-M51 PolarHBondContact O-N 3.28Å; Q48-M51 PolarHBondContact O-N 3.23Å; N49-M51 PolarHBondContact O-N 2.94Å; M51-M53 PolarHBondContact O-N 2.81Å; M51-K54 PolarHBondContact O-N 3.45Å; M51-A55 VanDerWaalsContact O-CB 3.26Å; M51-A55 WeakPolarHBondContact O-CB 3.33Å; M51-A55 PolarHBondContact O-N 3.19Å |
| 52 | K | 79.5 | Confident | 72.9 | Confident | 119 Ų | 119 | 103.8 Ų | 103.8 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 171.7 | -75.6 | 167.6 | 174.3 | 169.5 | 0 | 112.2 | Q48 N49 A55 S56 | Q48-K52 HydrophobicContact CG-CD 4.45Å; Q48-K52 WeakPolarHBondContact O-CB 3.47Å; Q48-K52 WeakPolarHBondContact O-CG 3.33Å; Q48-K52 PolarHBondContact O-N 3.46Å; N49-K52 PolarHBondContact O-N 3.35Å; K52-A55 PolarHBondContact O-N 3.14Å; K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 3.38Å |
| 53 | M | 74.1 | Confident | 71.7 | Confident | 127 Ų | 127 | 108.3 Ų | 108.3 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.8 | -41.3 | 177 | -71.8 | -68.1 | -77.4 | 0 | 0 | 112.6 | N49 M50 M51 S56 K57 | N49-M53 WeakPolarHBondContact O-CB 3.47Å; N49-M53 VanDerWaalsContact O-CG 3.28Å; N49-M53 WeakPolarHBondContact O-CG 3.46Å; N49-M53 PolarHBondContact O-N 3.12Å; M50-M53 PolarHBondContact O-N 2.8Å; M51-M53 PolarHBondContact O-N 2.81Å; M53-S56 PolarHBondContact O-N 2.85Å; M53-K57 PolarHBondContact O-N 3.39Å; M53-K57 VanDerWaalsContact O-N 3.14Å |
| 54 | K | 73.9 | Confident | 70.3 | Confident | 128 Ų | 128 | 108.8 Ų | 108.8 | 56% | 0.557 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 174.2 | -74 | -179.6 | 177.3 | -178.9 | 0 | 111.4 | M50 M51 K57 F58 | M50-K54 HydrophobicContact CG-CD 4.2Å; M50-K54 HydrophobicContact CG-CG 4.48Å; M50-K54 WeakPolarHBondContact O-CB 3.28Å; M50-K54 WeakPolarHBondContact O-CG 3.47Å; M50-K54 PolarHBondContact O-N 2.85Å; M51-K54 PolarHBondContact O-N 3.45Å; K54-K57 PolarHBondContact O-N 3.03Å; K54-F58 PolarHBondContact O-N 2.87Å |
| 55 | A | 62.4 | Low | 68.7 | Low | 58 Ų | 58 | 112.5 Ų | 112.5 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -37.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M51 K52 F58 S59 | M51-A55 VanDerWaalsContact O-CB 3.26Å; M51-A55 WeakPolarHBondContact O-CB 3.33Å; M51-A55 PolarHBondContact O-N 3.19Å; K52-A55 PolarHBondContact O-N 3.14Å; A55-F58 CarbonylContact O-C 3.56Å; A55-F58 WeakPolarHBondContact O-CB 3.43Å; A55-F58 PolarHBondContact O-N 2.97Å; A55-F58 VanDerWaalsContact O-N 3.12Å; A55-S59 WeakPolarHBondContact O-CB 3.29Å; A55-S59 PolarHBondContact O-N 3.23Å |
| 56 | S | 58.9 | Low | 66.9 | Low | 54 Ų | 54 | 114 Ų | 114 | 38% | 0.378 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.8 | -49.5 | 175.9 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | K52 M53 F58 S59 E60 | K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 3.38Å; M53-S56 PolarHBondContact O-N 2.85Å; S56-F58 PolarHBondContact O-N 2.89Å; S56-S59 WeakPolarHBondContact O-CA 3.39Å; S56-S59 PolarHBondContact O-N 2.93Å; S56-S59 PolarHBondContact O-OG 2.87Å; S56-E60 PolarHBondContact O-N 3.46Å |
| 57 | K | 59.2 | Low | 65.7 | Low | 156 Ų | 156 | 120 Ų | 120 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -23.1 | 174.8 | -70.6 | -170.4 | 175.7 | -170.8 | 0 | 113.7 | M53 K54 | M53-K57 PolarHBondContact O-N 3.39Å; M53-K57 VanDerWaalsContact O-N 3.14Å; K54-K57 PolarHBondContact O-N 3.03Å |
| 58 | F | 51.9 | Low | 64.6 | Low | 143 Ų | 143 | 120.3 Ų | 120.3 | 63% | 0.627 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83.2 | -35.2 | 170.8 | -145.8 | -92.5 | 0 | 0 | 0 | 112 | K54 A55 S56 R61 L62 | K54-F58 PolarHBondContact O-N 2.87Å; A55-F58 CarbonylContact O-C 3.56Å; A55-F58 WeakPolarHBondContact O-CB 3.43Å; A55-F58 PolarHBondContact O-N 2.97Å; A55-F58 VanDerWaalsContact O-N 3.12Å; S56-F58 PolarHBondContact O-N 2.89Å; F58-R61 PolarHBondContact O-N 3.4Å; F58-L62 HydrophobicContact CD1-CD1 4.09Å; F58-L62 HydrophobicContact CE1-CD1 4.47Å; F58-L62 PolarHBondContact O-N 2.86Å |
| 59 | S | 55.2 | Low | 63.3 | Low | 36 Ų | 36 | 124.7 Ų | 124.7 | 25% | 0.252 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.2 | -33 | 179.9 | 84.2 | 0 | 0 | 0 | 0 | 113.6 | A55 S56 R61 L62 K63 | A55-S59 WeakPolarHBondContact O-CB 3.29Å; A55-S59 PolarHBondContact O-N 3.23Å; S56-S59 WeakPolarHBondContact O-CA 3.39Å; S56-S59 PolarHBondContact O-N 2.93Å; S56-S59 PolarHBondContact O-OG 2.87Å; S59-R61 VanDerWaalsContact C-N 3.3Å; S59-R61 PolarHBondContact O-N 3.42Å; S59-L62 CarbonylContact O-C 3.57Å; S59-L62 PolarHBondContact O-N 3.48Å; S59-K63 WeakPolarHBondContact O-CG 3.46Å; S59-K63 PolarHBondContact O-N 3.27Å |
| 60 | E | 53.9 | Low | 62.2 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 63% | 0.631 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.2 | -38.2 | 174.1 | -73.7 | -176.7 | 135 | 0 | 0 | 111.4 | S56 L62 K63 | S56-E60 PolarHBondContact O-N 3.46Å; E60-L62 PolarHBondContact O-N 3.33Å; E60-K63 PolarHBondContact O-N 2.88Å |
| 61 | R | 52.2 | Low | 61.1 | Low | 209 Ų | 209 | 130.8 Ų | 130.8 | 79% | 0.789 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.7 | -19.3 | 171.8 | -93.8 | -179.1 | 152.2 | -179.3 | -6.2 | 114.1 | F58 S59 | F58-R61 PolarHBondContact O-N 3.4Å; S59-R61 VanDerWaalsContact C-N 3.3Å; S59-R61 PolarHBondContact O-N 3.42Å |
| 62 | L | 54.2 | Low | 59.8 | Low | 112 Ų | 112 | 133.9 Ų | 133.9 | 59% | 0.586 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -95.2 | -29.5 | 176.7 | -68.2 | 169.4 | 0 | 0 | 0 | 112.6 | F58 S59 E60 G64 R65 | F58-L62 HydrophobicContact CD1-CD1 4.09Å; F58-L62 HydrophobicContact CE1-CD1 4.47Å; F58-L62 PolarHBondContact O-N 2.86Å; S59-L62 CarbonylContact O-C 3.57Å; S59-L62 PolarHBondContact O-N 3.48Å; E60-L62 PolarHBondContact O-N 3.33Å; L62-G64 VanDerWaalsContact C-N 3.25Å; L62-G64 PolarHBondContact O-N 3.46Å; L62-R65 PolarHBondContact O-N 3.13Å |
| 63 | K | 54.4 | Low | 58.6 | Low | 176 Ų | 176 | 132.6 Ų | 132.6 | 77% | 0.765 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.6 | -17.7 | 176.5 | -74.2 | 171.3 | 178.7 | 173.6 | 0 | 113.9 | S59 E60 | S59-K63 WeakPolarHBondContact O-CG 3.46Å; S59-K63 PolarHBondContact O-N 3.27Å; E60-K63 PolarHBondContact O-N 2.88Å |
| 64 | G | 55.4 | Low | 57.8 | Low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 2.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L62 | L62-G64 VanDerWaalsContact C-N 3.25Å; L62-G64 PolarHBondContact O-N 3.46Å |
| 65 | R | 51.9 | Low | 57.1 | Low | 204 Ų | 204 | 135.7 Ų | 135.7 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -125.5 | 127.5 | -179.6 | -74.5 | -175.5 | 139.3 | -179.8 | -6.6 | 111 | L62 | L62-R65 PolarHBondContact O-N 3.13Š|
| 66 | S | 53.3 | Low | 56.7 | Low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | | | trans | -43.3 | 137.7 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 112 | | |
| 67 | K | 62.8 | Low | 56.5 | Low | 187 Ų | 187 | 143.2 Ų | 143.2 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | | | trans | 0.6 | 124.2 | 169 | -60.8 | -176.4 | 179 | -174.5 | 0 | 114.7 | K69 | K67-K69 PolarHBondContact O-N 3.44Š|
| 68 | P | 62.6 | Low | 56 | Low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | | | trans | -53.6 | 115.1 | 171 | 25.4 | -32.9 | 0 | 0 | 0 | 107.9 | K70 | P68-K70 PolarHBondContact O-N 3.46Š|
| 69 | K | 61.8 | Low | 56.2 | Low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | | | trans | -58.6 | 129.8 | 162.9 | -73.6 | -173 | 173.9 | -170.4 | 0 | 105 | K67 L71 | K67-K69 PolarHBondContact O-N 3.44Å; K69-L71 PolarHBondContact O-N 3.04Å |
| 70 | K | 60.8 | Low | 55.8 | Low | 144 Ų | 144 | 146 Ų | 146 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | | | trans | -47.7 | 119 | 172.3 | -67 | 178.2 | 172 | -167 | 0 | 107.5 | P68 D73 | P68-K70 PolarHBondContact O-N 3.46Å; K70-D73 WeakPolarHBondContact CD-OD1 3.4Å; K70-D73 WeakPolarHBondContact CE-OD1 3.47Å; K70-D73 IonicContact NZ-OD1 2.77Å; K70-D73 PolarHBondContact NZ-OD1 3.38Å |
| 71 | L | 62.6 | Low | 55.7 | Low | 155 Ų | 155 | 142.1 Ų | 142.1 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -85.9 | -9.6 | 177.9 | -148.5 | 76.3 | 0 | 0 | 0 | 111.3 | K69 | K69-L71 PolarHBondContact O-N 3.04Š|
| 72 | F | 55.5 | Low | 55.6 | Low | 162 Ų | 162 | 141.2 Ų | 141.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | trans | -133.9 | 108.9 | 168.4 | -53.1 | -79.1 | 0 | 0 | 0 | 104.9 | | |
| 73 | D | 53.5 | Low | 55.6 | Low | 91 Ų | 91 | 141 Ų | 141 | 49% | 0.487 | 75% | 0.751 | S | S | . | * | | | trans | -88.2 | 121.1 | 152.8 | -89.9 | -58.5 | 0 | 0 | 0 | 104.6 | K70 E75 | K70-D73 WeakPolarHBondContact CD-OD1 3.4Å; K70-D73 WeakPolarHBondContact CE-OD1 3.47Å; K70-D73 IonicContact NZ-OD1 2.77Å; K70-D73 PolarHBondContact NZ-OD1 3.38Å; D73-E75 PolarHBondContact O-N 2.85Å |
| 74 | D | 57.7 | Low | 55.4 | Low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 24.1 | -166.9 | -55.2 | -64.9 | 0 | 0 | 0 | 114.3 | | |
| 75 | E | 58.7 | Low | 55.4 | Low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | -5.3 | -165.5 | -63.9 | -71.8 | 163.5 | 0 | 0 | 113.6 | D73 | D73-E75 PolarHBondContact O-N 2.85Š|
| 76 | D | 54.2 | Low | 55.4 | Low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -107.9 | 19.3 | -173.3 | -105.3 | -17.9 | 0 | 0 | 0 | 114.3 | | |
| 77 | V | 54.7 | Low | 55.5 | Low | 122 Ų | 122 | 132.8 Ų | 132.8 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | | | trans | -120 | 93.2 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | M79 | V77-M79 VanDerWaalsContact C-N 3.34Å; V77-M79 HydrophobicContact CG1-CB 4.13Å; V77-M79 PolarHBondContact O-N 3.29Å; V77-M79 VanDerWaalsContact O-N 3.09Å |
| 78 | P | 49 | Very low | 55.2 | Low | 127 Ų | 127 | 129.4 Ų | 129.4 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | | | trans | -81.1 | 81.7 | 168.3 | 33.6 | -32.3 | 0 | 0 | 0 | 109.2 | | |
| 79 | M | 55 | Low | 55 | Low | 147 Ų | 147 | 132 Ų | 132 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | | | trans | -141.6 | 122.8 | 169.9 | -111 | -151.3 | 70.9 | 0 | 0 | 113.6 | V77 | V77-M79 VanDerWaalsContact C-N 3.34Å; V77-M79 HydrophobicContact CG1-CB 4.13Å; V77-M79 PolarHBondContact O-N 3.29Å; V77-M79 VanDerWaalsContact O-N 3.09Å |
| 80 | P | 48.2 | Very low | 54.8 | Low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -73.1 | 143.8 | 176 | 31.6 | -34.2 | 0 | 0 | 0 | 110.7 | | |
| 81 | G | 51.6 | Low | 54.6 | Low | 52 Ų | 52 | 127.5 Ų | 127.5 | 54% | 0.536 | 70% | 0.698 | S | S | . | * | | | trans | 113.7 | 36.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S83 A84 | G81-S83 PolarHBondContact O-N 3.3Å; G81-A84 PolarHBondContact O-N 3.01Å |
| 82 | F | 48.7 | Very low | 54.4 | Low | 191 Ų | 191 | 126 Ų | 126 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 42.3 | 178.1 | -143.9 | -88.7 | 0 | 0 | 0 | 114.4 | | |
| 83 | S | 54.1 | Low | 54.6 | Low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -9.9 | 172.1 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | G81 | G81-S83 PolarHBondContact O-N 3.3Š|
| 84 | A | 52.2 | Low | 54.7 | Low | 69 Ų | 69 | 127.5 Ų | 127.5 | 57% | 0.57 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -85.1 | -17.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G81 L86 T87 | G81-A84 PolarHBondContact O-N 3.01Å; A84-L86 PolarHBondContact O-N 3.34Å; A84-T87 PolarHBondContact O-OG1 2.96Å; A84-T87 VanDerWaalsContact O-OG1 3.11Å |
| 85 | T | 55 | Low | 54.6 | Low | 84 Ų | 84 | 124 Ų | 124 | 52% | 0.515 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | 0 | -169.5 | 48.8 | 0 | 0 | 0 | 0 | 115 | T87 | T85-T87 PolarHBondContact O-N 3.28Š|
| 86 | L | 52.2 | Low | 54.3 | Low | 167 Ų | 167 | 118.6 Ų | 118.6 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 13.8 | 172.6 | -94.2 | 160 | 0 | 0 | 0 | 113.7 | A84 | A84-L86 PolarHBondContact O-N 3.34Š|
| 87 | T | 54.4 | Low | 54.4 | Low | 79 Ų | 79 | 116.2 Ų | 116.2 | 49% | 0.485 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -93.9 | 125.7 | 174.7 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | A84 T85 K89 A90 | A84-T87 PolarHBondContact O-OG1 2.96Å; A84-T87 VanDerWaalsContact O-OG1 3.11Å; T85-T87 PolarHBondContact O-N 3.28Å; T87-K89 PolarHBondContact O-N 3.27Å; T87-A90 WeakPolarHBondContact O-CB 3.25Å; T87-A90 PolarHBondContact O-N 3.42Å |
| 88 | P | 56.9 | Low | 54.3 | Low | 115 Ų | 115 | 117 Ų | 117 | 75% | 0.747 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -26.3 | 178.8 | -28.8 | 35.5 | 0 | 0 | 0 | 114.1 | A90 W91 | P88-A90 PolarHBondContact O-N 2.98Å; P88-W91 PolarHBondContact O-N 3.37Å; P88-W91 VanDerWaalsContact O-N 3.16Å |
| 89 | K | 59 | Low | 54.6 | Low | 183 Ų | 183 | 118.8 Ų | 118.8 | 80% | 0.796 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.3 | -19.4 | 178.9 | -154.8 | 161.6 | -173.7 | 170 | 0 | 114 | T87 | T87-K89 PolarHBondContact O-N 3.27Å |
| 90 | A | 55.8 | Low | 54.8 | Low | 41 Ų | 41 | 120.1 Ų | 120.1 | 34% | 0.339 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -72.6 | -33 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | T87 P88 M93 | T87-A90 WeakPolarHBondContact O-CB 3.25Å; T87-A90 PolarHBondContact O-N 3.42Å; P88-A90 PolarHBondContact O-N 2.98Å; A90-M93 PolarHBondContact O-N 2.8Å |
| 91 | W | 57.8 | Low | 55.2 | Low | 198 Ų | 198 | 120 Ų | 120 | 75% | 0.75 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.9 | -30.9 | -173.7 | -74.7 | 9.2 | 0 | 0 | 0 | 113.5 | P88 | P88-W91 PolarHBondContact O-N 3.37Å; P88-W91 VanDerWaalsContact O-N 3.16Å |
| 92 | D | 58.3 | Low | 55.5 | Low | 123 Ų | 123 | 126.7 Ų | 126.7 | 66% | 0.658 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.3 | -34.9 | 177 | -86.3 | -32.5 | 0 | 0 | 0 | 112.9 | E94 T95 S96 | D92-E94 PolarHBondContact O-N 2.67Å; D92-T95 PolarHBondContact O-N 3.19Å; D92-T95 PolarHBondContact O-OG1 3.23Å; D92-S96 PolarHBondContact O-N 3.14Å |
| 93 | M | 58.8 | Low | 55.9 | Low | 139 Ų | 139 | 127.3 Ų | 127.3 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.3 | -40 | -179.9 | -74.6 | -73.1 | -78.2 | 0 | 0 | 112.2 | A90 T95 S96 T97 | A90-M93 PolarHBondContact O-N 2.8Å; M93-T95 PolarHBondContact O-N 3.17Å; M93-S96 PolarHBondContact O-N 3.16Å; M93-T97 PolarHBondContact O-N 3.17Å |
| 94 | E | 56.3 | Low | 55.8 | Low | 145 Ų | 145 | 125.6 Ų | 125.6 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.3 | -29.7 | -176.9 | -159.2 | 166.3 | -145.1 | 0 | 0 | 112.6 | D92 T97 | D92-E94 PolarHBondContact O-N 2.67Å; E94-T97 PolarHBondContact O-OG1 3.3Å |
| 95 | T | 56 | Low | 55.8 | Low | 71 Ų | 71 | 130.8 Ų | 130.8 | 44% | 0.436 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -79.3 | -18.5 | 174.5 | 74.1 | 0 | 0 | 0 | 0 | 114 | D92 M93 | D92-T95 PolarHBondContact O-N 3.19Å; D92-T95 PolarHBondContact O-OG1 3.23Å; M93-T95 PolarHBondContact O-N 3.17Å |
| 96 | S | 52.8 | Low | 55.3 | Low | 64 Ų | 64 | 133 Ų | 133 | 45% | 0.448 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -78.8 | -42.6 | -179.8 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | D92 M93 | D92-S96 PolarHBondContact O-N 3.14Å; M93-S96 PolarHBondContact O-N 3.16Å |
| 97 | T | 55 | Low | 55.3 | Low | 96 Ų | 96 | 130.9 Ų | 130.9 | 59% | 0.589 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.9 | -38.3 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | M93 E94 K99 K100 | M93-T97 PolarHBondContact O-N 3.17Å; E94-T97 PolarHBondContact O-OG1 3.3Å; T97-K99 PolarHBondContact O-N 3.23Å; T97-K99 VanDerWaalsContact O-N 3.16Å; T97-K100 PolarHBondContact O-N 2.94Å |
| 98 | M | 52.6 | Low | 55 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -10.7 | -177.5 | -158 | 173.8 | 61.7 | 0 | 0 | 114.4 | | |
| 99 | K | 56.3 | Low | 54.8 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -15.9 | 177.5 | -75.9 | 172.6 | -178.9 | 168.5 | 0 | 114.3 | T97 | T97-K99 PolarHBondContact O-N 3.23Å; T97-K99 VanDerWaalsContact O-N 3.16Å |
| 100 | K | 58.8 | Low | 54.3 | Low | 175 Ų | 175 | 132 Ų | 132 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -92.6 | -9.8 | -170.6 | -69.2 | -177.3 | 178.3 | 177.2 | 0 | 115.9 | T97 | T97-K100 PolarHBondContact O-N 2.94Š|
| 101 | T | 56.2 | Low | 54.3 | Low | 118 Ų | 118 | 137.6 Ų | 137.6 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -99.6 | 7.8 | -170.6 | 51.9 | 0 | 0 | 0 | 0 | 115.8 | K103 | T101-K103 PolarHBondContact O-N 3.15Š|
| 102 | K | 58.7 | Low | 54.1 | Low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | -92.1 | 25.1 | -177.3 | -68.9 | -171.9 | 177 | 178.6 | 0 | 115.4 | | |
| 103 | K | 57.6 | Low | 53.8 | Low | 204 Ų | 204 | 141.9 Ų | 141.9 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -135.1 | 46.8 | -173 | -151.1 | 177.8 | -175.6 | -178.3 | 0 | 114.2 | T101 | T101-K103 PolarHBondContact O-N 3.15Š|
| 104 | A | 52.1 | Low | 54 | Low | 71 Ų | 71 | 145.2 Ų | 145.2 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | | | trans | -151.8 | 158.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 105 | H | 50.6 | Low | 53.9 | Low | 178 Ų | 178 | 148.3 Ų | 148.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | 78.7 | 53.5 | 171.6 | -44.5 | -64.1 | 0 | 0 | 0 | 118.6 | | |
| 106 | S | 45.5 | Very low | 54.3 | Low | 130 Ų | 130 | 150.3 Ų | 150.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -93.7 | 69.4 | 152.1 | -71.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 107 | T | 51.5 | Low | 54.7 | Low | 123 Ų | 123 | 157.4 Ų | 157.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -151.6 | 111.2 | 164.9 | 38.2 | 0 | 0 | 0 | 0 | 110.4 | S109 | T107-S109 PolarHBondContact O-N 2.98Š|
| 108 | S | 48.3 | Very low | 55 | Low | 129 Ų | 129 | 161.3 Ų | 161.3 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | -79.6 | 116.1 | 176.2 | 53 | 0 | 0 | 0 | 0 | 111 | | |
| 109 | S | 52.7 | Low | 55.5 | Low | 100 Ų | 100 | 164 Ų | 164 | 70% | 0.699 | 83% | 0.826 | S | S | * | * | | | trans | -112.7 | 124.7 | 170.9 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | T107 L111 | T107-S109 PolarHBondContact O-N 2.98Å; S109-L111 PolarHBondContact O-N 3.33Å |
| 110 | N | 48.7 | Very low | 56.2 | Low | 170 Ų | 170 | 165.4 Ų | 165.4 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | | | trans | -67.9 | 115.4 | 176.8 | -81.1 | -64.2 | 0 | 0 | 0 | 110.7 | | |
| 111 | L | 55.4 | Low | 56.5 | Low | 159 Ų | 159 | 168.1 Ų | 168.1 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | | | trans | -120 | 124.9 | 171.1 | -81.7 | 167.6 | 0 | 0 | 0 | 112.1 | S109 | S109-L111 PolarHBondContact O-N 3.33Š|
| 112 | K | 54.7 | Low | 57.2 | Low | 206 Ų | 206 | 167.7 Ų | 167.7 | 90% | 0.896 | 84% | 0.84 | S | S | * | * | | | trans | -70.5 | 128.7 | -170.9 | -65.1 | 176.2 | 178 | 176.3 | 0 | 111.2 | K114 | K112-K114 PolarHBondContact O-N 3.2Å; K112-K114 VanDerWaalsContact O-N 3.16Å |
| 113 | K | 51.2 | Low | 57.3 | Low | 206 Ų | 206 | 166.2 Ų | 166.2 | 90% | 0.896 | 84% | 0.84 | S | S | * | * | | | trans | -66.4 | 108.4 | 173.9 | -69 | 179.3 | 178.7 | 174.5 | 0 | 111.1 | | |
| 114 | K | 63.1 | Low | 57.8 | Low | 208 Ų | 208 | 167 Ų | 167 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 130.7 | 156.2 | -76.1 | -169.6 | 174.3 | -177.1 | 0 | 109 | K112 | K112-K114 PolarHBondContact O-N 3.2Å; K112-K114 VanDerWaalsContact O-N 3.16Å |
| 115 | K | 55.2 | Low | 58.8 | Low | 210 Ų | 210 | 170.7 Ų | 170.7 | 91% | 0.913 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 118.7 | 172 | -72 | -166.7 | 176.5 | -174.9 | 0 | 109.7 | | |
| 116 | S | 63.7 | Low | 59.5 | Low | 113 Ų | 113 | 168.9 Ų | 168.9 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 147.5 | 160.1 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 117 | K | 60.6 | Low | 60.4 | Low | 213 Ų | 213 | 169 Ų | 169 | 93% | 0.926 | 84% | 0.837 | S | S | * | * | | | trans | -89.8 | 111.6 | 172 | -73.5 | -177.9 | 177.6 | 178.2 | 0 | 108.6 | | |
| 118 | E | 61 | Low | 60.9 | Low | 179 Ų | 179 | 169.2 Ų | 169.2 | 84% | 0.836 | 84% | 0.839 | S | S | * | * | | | trans | -82.5 | 118.7 | 180 | -167.8 | 173.9 | -159.8 | 0 | 0 | 111 | K120 | E118-K120 PolarHBondContact O-N 2.91Š|
| 119 | K | 63.2 | Low | 61.2 | Low | 195 Ų | 195 | 172.8 Ų | 172.8 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | | | trans | -90.1 | 95.6 | -177.9 | -171.3 | 175.5 | -176.3 | 177.2 | 0 | 109.7 | R121 | K119-R121 PolarHBondContact O-N 3.15Š|
| 120 | K | 71.6 | Confident | 61.4 | Low | 195 Ų | 195 | 172.7 Ų | 172.7 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | | | trans | -60.1 | 125.1 | 177.6 | -66 | -174.1 | 177.3 | -176.7 | 0 | 111 | E118 | E118-K120 PolarHBondContact O-N 2.91Š|
| 121 | R | 66.3 | Low | 61.8 | Low | 231 Ų | 231 | 173.2 Ų | 173.2 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | | | trans | -106.8 | 124.1 | 165 | -58.9 | -179.7 | 83.8 | 145.7 | 0.8 | 107.3 | K119 | K119-R121 PolarHBondContact O-N 3.15Š|
| 122 | S | 69.6 | Low | 61.2 | Low | 109 Ų | 109 | 177.1 Ų | 177.1 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 118.9 | 173.3 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 123 | L | 61.4 | Low | 61.1 | Low | 162 Ų | 162 | 175.9 Ų | 175.9 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 134.8 | 158.8 | -91.2 | 105.3 | 0 | 0 | 0 | 109 | | |
| 124 | R | 68.3 | Low | 60.9 | Low | 220 Ų | 220 | 172 Ų | 172 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 140.5 | 159.2 | -69.8 | 179.3 | 175 | 168.8 | -3 | 106.8 | | |
| 125 | I | 71.7 | Confident | 60 | Low | 148 Ų | 148 | 171.9 Ų | 171.9 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | | | trans | -118.2 | 117.4 | 171.1 | -59.8 | 174.9 | 0 | 0 | 0 | 105.3 | | |
| 126 | D | 66.6 | Low | 59.5 | Low | 141 Ų | 141 | 166.7 Ų | 166.7 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | | | trans | -83.9 | 128 | 176 | -63.9 | -47.3 | 0 | 0 | 0 | 109 | T128 | D126-T128 PolarHBondContact O-N 2.96Š|
| 127 | V | 63.4 | Low | 58.8 | Low | 133 Ų | 133 | 164.5 Ų | 164.5 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | trans | -82.9 | 102.5 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 109 | | |
| 128 | T | 62.8 | Low | 58.2 | Low | 127 Ų | 127 | 164.1 Ų | 164.1 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | | | trans | -68.1 | 142.5 | 167.8 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | D126 | D126-T128 PolarHBondContact O-N 2.96Š|
| 129 | K | 53.6 | Low | 57.6 | Low | 203 Ų | 203 | 166.4 Ų | 166.4 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | trans | -113.6 | 115.7 | 179.5 | -63.6 | 176.8 | -177.2 | 174.7 | 0 | 109.6 | | |
| 130 | S | 57 | Low | 56.9 | Low | 99 Ų | 99 | 165.3 Ų | 165.3 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | | | trans | -164.7 | 150.2 | 167.5 | 48.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 131 | E | 56.6 | Low | 55.9 | Low | 180 Ų | 180 | 161.6 Ų | 161.6 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | | | cis | -152 | 119.2 | -19 | -92.4 | 148.2 | 164.4 | 0 | 0 | 102.1 | | |
| 132 | R | 44.1 | Very low | 55.2 | Low | 242 Ų | 242 | 156.2 Ų | 156.2 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | | | | 48 | 67.7 | 77.3 | -152.8 | -173.4 | -158.7 | 165.5 | 6.5 | 116.9 | | |
| 133 | E | 52 | Low | 54.2 | Low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -153 | 110.9 | 143.4 | -105.8 | 176.6 | 170.8 | 0 | 0 | 108.2 | | |
| 134 | V | 47.1 | Very low | 53.6 | Low | 123 Ų | 123 | 152.5 Ų | 152.5 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | | | | 65.3 | 89.8 | 81.5 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 135 | F | 44.8 | Very low | 52.9 | Low | 207 Ų | 207 | 150.4 Ų | 150.4 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | | | trans | -140.8 | 110.7 | 148.6 | -94.9 | -79.1 | 0 | 0 | 0 | 109.4 | | |
| 136 | A | 44.7 | Very low | 51.7 | Low | 100 Ų | 100 | 154.3 Ų | 154.3 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -135.3 | 134.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 137 | G | 47.5 | Very low | 50.9 | Low | 68 Ų | 68 | 153.5 Ų | 153.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | 87.2 | 145.1 | -158.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 138 | E | 48 | Very low | 50.3 | Low | 204 Ų | 204 | 154.6 Ų | 154.6 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | | | cis | -142.3 | 165.2 | 15.5 | -147.5 | 166.2 | 135.8 | 0 | 0 | 111.3 | | |
| 139 | R | 49.2 | Very low | 49.7 | Very low | 227 Ų | 227 | 152.9 Ų | 152.9 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | -117.1 | 140.3 | -170.5 | -109.1 | -174.2 | -171.6 | 177.4 | 3.6 | 110.9 | | |
| 140 | M | 48.4 | Very low | 49.9 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | 71.3 | 117.4 | 166.3 | -44.8 | -63.7 | -86.4 | 0 | 0 | 117.3 | | |
| 141 | S | 50.4 | Low | 50 | Low | 118 Ų | 118 | 152.7 Ų | 152.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | | 175.7 | 165.1 | 104.1 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 142 | S | 52.6 | Low | 49.9 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -34.6 | 151.3 | 165.2 | 47.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 143 | G | 48.6 | Very low | 50.5 | Low | 62 Ų | 62 | 145.6 Ų | 145.6 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | cis | 130.6 | 144.1 | 19.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 144 | T | 48.5 | Very low | 50.6 | Low | 131 Ų | 131 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 70.4 | 123.1 | 168.6 | 48.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 145 | K | 52.2 | Low | 51.4 | Low | 177 Ų | 177 | 145.4 Ų | 145.4 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 75.7 | 102.6 | 137.4 | -65.2 | 169.6 | -179.5 | -178.7 | 0 | 122.1 | | |
| 146 | R | 47.2 | Very low | 51.9 | Low | 229 Ų | 229 | 143.3 Ų | 143.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | | 178.3 | 129.7 | 113.1 | -96.3 | 162.1 | -90.1 | -164.1 | -5.9 | 108.9 | | |
| 147 | V | 50.6 | Low | 52.3 | Low | 125 Ų | 125 | 143.9 Ų | 143.9 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | | 74.1 | 136.4 | 62.1 | -174.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 148 | L | 50.6 | Low | 52.7 | Low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | 95.5 | 133.8 | 177.7 | -73.3 | 104.8 | 0 | 0 | 0 | 116.1 | | |
| 149 | S | 49.3 | Very low | 53.1 | Low | 92 Ų | 92 | 146.1 Ų | 146.1 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | cis | 166.6 | 156.6 | -21 | 45.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 150 | K | 58.6 | Low | 53.4 | Low | 189 Ų | 189 | 140.8 Ų | 140.8 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | 69.3 | 168.8 | 176.1 | -70.2 | -155.5 | 175 | -168.6 | 0 | 115.3 | | |
| 151 | T | 57.8 | Low | 53.5 | Low | 108 Ų | 108 | 139.9 Ų | 139.9 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | | | cis | -152.6 | 119 | 14.9 | -16.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 152 | T | 55.5 | Low | 53.7 | Low | 99 Ų | 99 | 137.8 Ų | 137.8 | 61% | 0.607 | 77% | 0.765 | S | S | * | * | | | | 78.8 | 127 | 111.8 | 52.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 153 | E | 56.6 | Low | 53.6 | Low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 67.3 | 140.3 | 153.2 | -66 | 145.2 | -138.3 | 0 | 0 | 116.6 | | |
| 154 | T | 54.6 | Low | 53.8 | Low | 116 Ų | 116 | 144.3 Ų | 144.3 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | cis | -156 | 145.6 | 37.4 | -47.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 155 | E | 63 | Low | 53.6 | Low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | 42.3 | 116.8 | 155.9 | -65.7 | 172.1 | 158.3 | 0 | 0 | 123.8 | | |
| 156 | E | 55.6 | Low | 53.4 | Low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | -92.1 | 152.7 | 143.7 | -97.3 | -97.5 | 170.5 | 0 | 0 | 107.6 | T158 | E156-T158 PolarHBondContact OE2-N 2.92Š|
| 157 | P | 53.6 | Low | 54.1 | Low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | | -154.9 | 142.8 | 86.8 | 39.9 | -20.3 | 0 | 0 | 0 | 118.4 | | |
| 158 | T | 54.9 | Low | 54.9 | Low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | trans | 36.6 | 118.6 | 137 | 66.8 | 0 | 0 | 0 | 0 | 121 | E156 | E156-T158 PolarHBondContact OE2-N 2.92Š|
| 159 | E | 58.1 | Low | 55.1 | Low | 206 Ų | 206 | 136.4 Ų | 136.4 | 96% | 0.963 | 77% | 0.773 | S | S | * | * | | | trans | -137.2 | 138.6 | 132.7 | -82 | -157.4 | 150.8 | 0 | 0 | 111.4 | | |
| 160 | S | 54.1 | Low | 56.1 | Low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -105.9 | 132.4 | -173.2 | 54 | 0 | 0 | 0 | 0 | 112.1 | | |
| 161 | V | 50.9 | Low | 56 | Low | 153 Ų | 153 | 136 Ų | 136 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | | | trans | -135.2 | 124.7 | 155.4 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 162 | A | 53.9 | Low | 56.1 | Low | 75 Ų | 75 | 139.4 Ų | 139.4 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | | | trans | -97.1 | 177.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 163 | T | 51.1 | Low | 56.3 | Low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 68.5 | 144.9 | 173.4 | 68.8 | 0 | 0 | 0 | 0 | 115 | | |
| 164 | Q | 52.1 | Low | 56.7 | Low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | cis | -149.3 | 146.5 | 12.7 | -142.7 | 165 | 24.5 | 0 | 0 | 110.4 | | |
| 165 | S | 45.5 | Very low | 57.5 | Low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -80.8 | 133 | 173.3 | 52 | 0 | 0 | 0 | 0 | 111.6 | | |
| 166 | C | 46.8 | Very low | 57.7 | Low | 130 Ų | 130 | 142.5 Ų | 142.5 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -153.3 | 97.2 | 155.4 | -100.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 167 | L | 62.1 | Low | 58.5 | Low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 132.6 | 157 | -84.3 | 156.3 | 0 | 0 | 0 | 107.9 | | |
| 168 | P | 67.6 | Low | 59 | Low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 116.3 | 155.5 | 31.7 | -24.8 | 0 | 0 | 0 | 109.4 | | |
| 169 | D | 55.9 | Low | 59.3 | Low | 136 Ų | 136 | 144.6 Ų | 144.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 139.9 | 163 | -69.1 | -54.6 | 0 | 0 | 0 | 109.8 | | |
| 170 | P | 69 | Low | 59.6 | Low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -102.7 | 83.1 | 171.5 | 36.5 | -28.5 | 0 | 0 | 0 | 111 | | |
| 171 | D | 56.9 | Low | 59.7 | Low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -110.7 | 167.6 | 165.1 | -74.5 | -37.2 | 0 | 0 | 0 | 110.3 | | |
| 172 | E | 59.8 | Low | 60 | Low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | 76.9 | 107.3 | -170.8 | -57.3 | -170.9 | 165.3 | 0 | 0 | 114.1 | | |
| 173 | E | 59 | Low | 60.5 | Low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | | 60.3 | 122.6 | 90.6 | -66.4 | -171.6 | -170.4 | 0 | 0 | 111.6 | | |
| 174 | T | 65.6 | Low | 60.8 | Low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | cis | -150.6 | 172.3 | 36.1 | -5.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 175 | D | 72.7 | Confident | 61.5 | Low | 138 Ų | 138 | 140.8 Ų | 140.8 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | | 179 | 142.5 | 67.4 | -166.1 | 9.1 | 0 | 0 | 0 | 108 | | |
| 176 | E | 66.6 | Low | 62.3 | Low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -106.2 | 109.1 | 175.8 | -73.7 | -153.8 | 161 | 0 | 0 | 110.8 | | |
| 177 | D | 71.5 | Confident | 62.6 | Low | 160 Ų | 160 | 145.3 Ų | 145.3 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | -113.1 | 98 | 170.3 | -120.4 | -18.1 | 0 | 0 | 0 | 110.1 | | |
| 178 | D | 64.7 | Low | 62.8 | Low | 146 Ų | 146 | 144.9 Ų | 144.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | -88.7 | 114.1 | 176.1 | -168.8 | 15.6 | 0 | 0 | 0 | 109.1 | | |
| 179 | D | 61.8 | Low | 62.2 | Low | 126 Ų | 126 | 144.7 Ų | 144.7 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | | | trans | -170.4 | 140.4 | 140.7 | -117 | -17.3 | 0 | 0 | 0 | 118.8 | | |
| 180 | K | 63.2 | Low | 62.2 | Low | 157 Ų | 157 | 147.6 Ų | 147.6 | 68% | 0.683 | 77% | 0.767 | S | S | * | * | | | trans | 51.2 | 92.5 | 149.4 | -41.8 | -145.7 | -179.1 | 179.8 | 0 | 122.2 | | |
| 181 | T | 56.2 | Low | 61.6 | Low | 129 Ų | 129 | 155.2 Ų | 155.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | | 32.6 | 124.4 | 112.6 | 60.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 182 | S | 58.4 | Low | 61.9 | Low | 102 Ų | 102 | 155.5 Ų | 155.5 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 90.1 | 114.6 | 134.3 | -160.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 183 | P | 64.2 | Low | 62 | Low | 123 Ų | 123 | 154.3 Ų | 154.3 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -87.8 | 104.8 | 153.8 | 32.7 | -27.6 | 0 | 0 | 0 | 111.1 | T185 | P183-T185 PolarHBondContact O-N 3.16Š|
| 184 | E | 57.7 | Low | 62.2 | Low | 133 Ų | 133 | 152.9 Ų | 152.9 | 62% | 0.621 | 78% | 0.781 | S | S | * | * | | | trans | -79.3 | 96.9 | 177.2 | -168.6 | -159.5 | 164.8 | 0 | 0 | 112.1 | K186 | E184-K186 HydrophobicContact CG-CG 4.34Å; E184-K186 PolarHBondContact O-N 3.37Å; E184-K186 WeakPolarHBondContact OE1-CE 3.11Å; E184-K186 VanDerWaalsContact OE1-CG 3.25Å; E184-K186 WeakPolarHBondContact OE1-CG 3.05Å; E184-K186 IonicContact OE1-NZ 2.67Å; E184-K186 PolarHBondContact OE1-NZ 3.22Å; E184-K186 IonicContact OE2-NZ 2.8Å; E184-K186 PolarHBondContact OE2-NZ 3.01Å |
| 185 | T | 66.4 | Low | 62 | Low | 140 Ų | 140 | 154.1 Ų | 154.1 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -84 | 89.3 | 172.4 | 42.2 | 0 | 0 | 0 | 0 | 112.4 | P183 | P183-T185 PolarHBondContact O-N 3.16Š|
| 186 | K | 62.5 | Low | 61.3 | Low | 128 Ų | 128 | 155.1 Ų | 155.1 | 56% | 0.557 | 78% | 0.782 | S | S | * | * | | | trans | -68.5 | 131.4 | 169.4 | -73.7 | -178.7 | 169 | 85.5 | 0 | 111.9 | E184 | E184-K186 HydrophobicContact CG-CG 4.34Å; E184-K186 PolarHBondContact O-N 3.37Å; E184-K186 WeakPolarHBondContact OE1-CE 3.11Å; E184-K186 VanDerWaalsContact OE1-CG 3.25Å; E184-K186 WeakPolarHBondContact OE1-CG 3.05Å; E184-K186 IonicContact OE1-NZ 2.67Å; E184-K186 PolarHBondContact OE1-NZ 3.22Å; E184-K186 IonicContact OE2-NZ 2.8Å; E184-K186 PolarHBondContact OE2-NZ 3.01Å |
| 187 | R | 53.7 | Low | 60.9 | Low | 206 Ų | 206 | 152.9 Ų | 152.9 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | 46.9 | 137.8 | 130.3 | -51 | 172.9 | 171.7 | 174.6 | -5.3 | 118 | | |
| 188 | Q | 65.4 | Low | 60.2 | Low | 152 Ų | 152 | 152.4 Ų | 152.4 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | | | cis | -157.1 | 154.8 | 38 | -66.8 | -86.2 | -21 | 0 | 0 | 110.6 | | |
| 189 | P | 54 | Low | 59.8 | Low | 111 Ų | 111 | 152.8 Ų | 152.8 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | -96.9 | 142.1 | 154 | 35.5 | -28.2 | 0 | 0 | 0 | 111.3 | | |
| 190 | K | 57.9 | Low | 59.7 | Low | 196 Ų | 196 | 155.1 Ų | 155.1 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | trans | 178.8 | 98.7 | 156.3 | -105.9 | 163.6 | -175 | -179.3 | 0 | 113 | | |
| 191 | K | 56.4 | Low | 59.3 | Low | 284 Ų | 284 | 154.9 Ų | 154.9 | 100% | 1.235 | 79% | 0.785 | S | S | * | * | | | | -174.2 | 0 | 109.3 | -100.7 | -177.7 | 177.1 | -177.7 | 0 | 109.6 | | |