| 1 | M | 41.7 | Very low | 47.2 | Very low | 244 Ų | 244 | 132.4 Ų | 132.4 | 100% | 1.202 | 82% | 0.817 | S | S | * | * | | | | 0 | 115.3 | 0 | -66.6 | -175.4 | -162.4 | 0 | 0 | 106.7 | | |
| 2 | T | 50.3 | Low | 47 | Very low | 143 Ų | 143 | 135 Ų | 135 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | | | trans | -130.4 | 116.4 | -173.4 | -23.4 | 0 | 0 | 0 | 0 | 106.8 | S4 | T2-S4 PolarHBondContact O-N 3.46Š|
| 3 | V | 49.4 | Very low | 47.5 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | | | trans | -78.9 | 109.2 | -175.8 | -160.5 | 0 | 0 | 0 | 0 | 107.4 | S5 | V3-S5 PolarHBondContact O-N 3.12Š|
| 4 | S | 44.6 | Very low | 48.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | trans | -83.3 | 104.8 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | T2 | T2-S4 PolarHBondContact O-N 3.46Š|
| 5 | S | 45.3 | Very low | 49 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | | | trans | -98.2 | 98.1 | 170.2 | -57.7 | 0 | 0 | 0 | 0 | 107.8 | V3 A7 | V3-S5 PolarHBondContact O-N 3.12Å; S5-A7 PolarHBondContact O-N 3.44Å |
| 6 | C | 49.6 | Very low | 49.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -70.6 | 119 | 176.1 | -151.7 | 0 | 0 | 0 | 0 | 109 | | |
| 7 | A | 49.7 | Very low | 50 | Low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | trans | -74.3 | 129.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S5 | S5-A7 PolarHBondContact O-N 3.44Š|
| 8 | S | 43.8 | Very low | 50.5 | Low | 87 Ų | 87 | 136.4 Ų | 136.4 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | trans | -10.4 | 127.3 | 157.5 | 179 | 0 | 0 | 0 | 0 | 118.5 | F10 | S8-F10 WeakPolarHBondContact OG-CD2 3.49Š|
| 9 | T | 41.3 | Very low | 51.1 | Low | 137 Ų | 137 | 133.6 Ų | 133.6 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -134.8 | 94.8 | 141.4 | -47.1 | 0 | 0 | 0 | 0 | 108.2 | A11 | T9-A11 PolarHBondContact O-N 3.32Š|
| 10 | F | 49.6 | Very low | 51.7 | Low | 193 Ų | 193 | 133.4 Ų | 133.4 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -76.6 | 104 | 167.7 | -74.9 | -82.3 | 0 | 0 | 0 | 108.9 | S8 N12 | S8-F10 WeakPolarHBondContact OG-CD2 3.49Å; F10-N12 PolarHBondContact O-N 3.31Å |
| 11 | A | 54.1 | Low | 52.2 | Low | 74 Ų | 74 | 132 Ų | 132 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | | | trans | -67 | 125.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | T9 T13 | T9-A11 PolarHBondContact O-N 3.32Å; A11-T13 PolarHBondContact O-N 3.19Å |
| 12 | N | 44.7 | Very low | 53.4 | Low | 164 Ų | 164 | 127.4 Ų | 127.4 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -70.4 | 71.8 | -177.4 | -146.7 | -39 | 0 | 0 | 0 | 110.2 | F10 R14 | F10-N12 PolarHBondContact O-N 3.31Å; N12-R14 PolarHBondContact O-N 2.82Å |
| 13 | T | 53 | Low | 54.3 | Low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | -84.7 | 86 | 174.6 | 48.6 | 0 | 0 | 0 | 0 | 109.1 | A11 L15 | A11-T13 PolarHBondContact O-N 3.19Å; T13-L15 PolarHBondContact O-N 2.98Å |
| 14 | R | 55.9 | Low | 55.8 | Low | 209 Ų | 209 | 130 Ų | 130 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | | | trans | -52.3 | 112.4 | 164.8 | -176.2 | 175.3 | 180 | -116.1 | 2.5 | 108.1 | N12 T16 | N12-R14 PolarHBondContact O-N 2.82Å; R14-T16 VanDerWaalsContact C-N 3.32Å; R14-T16 PolarHBondContact O-N 2.92Å |
| 15 | L | 62.3 | Low | 57.4 | Low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | trans | -63.8 | 92.7 | 173.5 | -69.3 | 168.1 | 0 | 0 | 0 | 108.4 | T13 H17 | T13-L15 PolarHBondContact O-N 2.98Å; L15-H17 VanDerWaalsContact C-N 3.27Å; L15-H17 PolarHBondContact O-N 3.13Å |
| 16 | T | 54.5 | Low | 59.2 | Low | 98 Ų | 98 | 130.3 Ų | 130.3 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | | | trans | -74.8 | 87 | 170.3 | 52.6 | 0 | 0 | 0 | 0 | 107.9 | R14 V18 | R14-T16 VanDerWaalsContact C-N 3.32Å; R14-T16 PolarHBondContact O-N 2.92Å; T16-V18 PolarHBondContact O-N 3.37Å |
| 17 | H | 59.8 | Low | 61 | Low | 135 Ų | 135 | 133 Ų | 133 | 63% | 0.625 | 73% | 0.732 | S | S | * | * | | | trans | -67.8 | 85.9 | 166 | -176.7 | -87.7 | 0 | 0 | 0 | 107.7 | L15 P19 | L15-H17 VanDerWaalsContact C-N 3.27Å; L15-H17 PolarHBondContact O-N 3.13Å; H17-P19 VanDerWaalsContact O-CD 3.22Å; H17-P19 WeakPolarHBondContact O-CD 3.46Å |
| 18 | V | 58.6 | Low | 62.8 | Low | 111 Ų | 111 | 136.7 Ų | 136.7 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | | | trans | -61.5 | 114.1 | 161.3 | 179 | 0 | 0 | 0 | 0 | 104.9 | T16 L20 | T16-V18 PolarHBondContact O-N 3.37Å; V18-L20 PolarHBondContact O-N 3.48Å |
| 19 | P | 63.4 | Low | 64.7 | Low | 84 Ų | 84 | 136.4 Ų | 136.4 | 55% | 0.545 | 73% | 0.727 | S | S | . | * | | | trans | -58 | 118.2 | 174.8 | -16.2 | 29.4 | 0 | 0 | 0 | 106.5 | H17 A21 | H17-P19 VanDerWaalsContact O-CD 3.22Å; H17-P19 WeakPolarHBondContact O-CD 3.46Å; P19-A21 PolarHBondContact O-N 3.38Å; P19-A21 VanDerWaalsContact O-N 3.17Å |
| 20 | L | 61.8 | Low | 66.6 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | | | trans | -50.2 | 129.3 | 164.6 | -80.2 | 96.3 | 0 | 0 | 0 | 106 | V18 N22 F23 | V18-L20 PolarHBondContact O-N 3.48Å; L20-N22 PolarHBondContact O-N 3.05Å; L20-F23 PolarHBondContact O-N 2.85Å; L20-F23 VanDerWaalsContact O-N 3.15Å |
| 21 | A | 63.1 | Low | 68.1 | Low | 104 Ų | 104 | 130.1 Ų | 130.1 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 7.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P19 | P19-A21 PolarHBondContact O-N 3.38Å; P19-A21 VanDerWaalsContact O-N 3.17Å |
| 22 | N | 66.2 | Low | 69.3 | Low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 9.3 | -177.8 | -59.7 | -9.2 | 0 | 0 | 0 | 112.9 | L20 Q24 | L20-N22 PolarHBondContact O-N 3.05Å; N22-Q24 VanDerWaalsContact C-N 3.29Å; N22-Q24 PolarHBondContact O-N 3.34Å |
| 23 | F | 69.6 | Low | 70.3 | Confident | 156 Ų | 156 | 136.5 Ų | 136.5 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | | | trans | -72.3 | 88.4 | 168.4 | -101.5 | -82.5 | 0 | 0 | 0 | 109.6 | L20 T25 | L20-F23 PolarHBondContact O-N 2.85Å; L20-F23 VanDerWaalsContact O-N 3.15Å; F23-T25 PolarHBondContact O-N 3.12Å |
| 24 | Q | 80.2 | Confident | 70.8 | Confident | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 118.9 | 167.2 | -166.9 | 143.4 | -17.3 | 0 | 0 | 108.3 | N22 | N22-Q24 VanDerWaalsContact C-N 3.29Å; N22-Q24 PolarHBondContact O-N 3.34Å |
| 25 | T | 79.6 | Confident | 71 | Confident | 118 Ų | 118 | 129.2 Ų | 129.2 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136.3 | 171.7 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | F23 Y27 | F23-T25 PolarHBondContact O-N 3.12Å; T25-Y27 PolarHBondContact O-N 3.4Å; T25-Y27 VanDerWaalsContact O-N 3.16Å |
| 26 | P | 82.3 | Confident | 70.8 | Confident | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.1 | 176.3 | 22.5 | -30.7 | 0 | 0 | 0 | 109.5 | | |
| 27 | Y | 88.1 | Confident | 70.5 | Confident | 181 Ų | 181 | 129.1 Ų | 129.1 | 71% | 0.71 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 125.1 | 176.1 | 176.5 | -102 | 0 | 0 | 0 | 109.5 | T25 P29 P30 | T25-Y27 PolarHBondContact O-N 3.4Å; T25-Y27 VanDerWaalsContact O-N 3.16Å; Y27-P29 HydrophobicContact CE1-CB 4.37Å; Y27-P30 VanDerWaalsContact OH-CD 3.24Å; Y27-P30 WeakPolarHBondContact OH-CD 3.33Å |
| 28 | F | 86.2 | Confident | 69.9 | Low | 172 Ų | 172 | 132 Ų | 132 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 128.7 | 166.7 | -76.4 | -89.1 | 0 | 0 | 0 | 108.7 | | |
| 29 | P | 85.2 | Confident | 69.3 | Low | 82 Ų | 82 | 131.8 Ų | 131.8 | 53% | 0.532 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 144.7 | 176.5 | 26.6 | -32.6 | 0 | 0 | 0 | 109.7 | Y27 | Y27-P29 HydrophobicContact CE1-CB 4.37Š|
| 30 | P | 80.6 | Confident | 68.3 | Low | 84 Ų | 84 | 132 Ų | 132 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 143.1 | 172.6 | 24.5 | -32.9 | 0 | 0 | 0 | 108.6 | Y27 Y32 | Y27-P30 VanDerWaalsContact OH-CD 3.24Å; Y27-P30 WeakPolarHBondContact OH-CD 3.33Å; P30-Y32 PolarHBondContact O-N 3.28Å |
| 31 | P | 80.6 | Confident | 67.3 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.4 | 175.4 | 22.1 | -30.9 | 0 | 0 | 0 | 108.3 | N33 | P31-N33 PolarHBondContact O-N 3.15Å; P31-N33 VanDerWaalsContact O-N 3.12Å |
| 32 | Y | 80.4 | Confident | 66.7 | Low | 211 Ų | 211 | 132.6 Ų | 132.6 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.9 | 167.1 | -64.4 | -75.2 | 0 | 0 | 0 | 106.4 | P30 A34 | P30-Y32 PolarHBondContact O-N 3.28Å; Y32-A34 PolarHBondContact O-N 3.06Å |
| 33 | N | 66.1 | Low | 66.1 | Low | 161 Ų | 161 | 128.5 Ų | 128.5 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | | | trans | -61 | 87.7 | 169.8 | -71.5 | -18.4 | 0 | 0 | 0 | 106.9 | P31 | P31-N33 PolarHBondContact O-N 3.15Å; P31-N33 VanDerWaalsContact O-N 3.12Å |
| 34 | A | 62.3 | Low | 65.6 | Low | 75 Ų | 75 | 127 Ų | 127 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | | | trans | -59.4 | 140.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | Y32 T36 | Y32-A34 PolarHBondContact O-N 3.06Å; A34-T36 PolarHBondContact O-N 3.26Å |
| 35 | P | 61 | Low | 64.8 | Low | 98 Ų | 98 | 122.9 Ų | 122.9 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | -50 | 131.9 | -179.7 | 18.5 | -29.4 | 0 | 0 | 0 | 109.8 | D37 | P35-D37 PolarHBondContact O-N 3.11Š|
| 36 | T | 57.7 | Low | 64.3 | Low | 125 Ų | 125 | 121.1 Ų | 121.1 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -62.4 | 26.7 | 179.4 | 25.9 | 0 | 0 | 0 | 0 | 114.3 | A34 F38 S39 | A34-T36 PolarHBondContact O-N 3.26Å; T36-F38 PolarHBondContact O-N 3.49Å; T36-S39 PolarHBondContact O-N 3.44Å |
| 37 | D | 48.4 | Very low | 63.9 | Low | 137 Ų | 137 | 120.3 Ų | 120.3 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 17.8 | -175.8 | -67.1 | -23.7 | 0 | 0 | 0 | 113.5 | P35 | P35-D37 PolarHBondContact O-N 3.11Š|
| 38 | F | 47.4 | Very low | 63.2 | Low | 195 Ų | 195 | 118.8 Ų | 118.8 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 16.9 | 165.3 | -65.7 | -76.3 | 0 | 0 | 0 | 112.9 | T36 A40 | T36-F38 PolarHBondContact O-N 3.49Å; F38-A40 PolarHBondContact O-N 3.08Å; F38-A40 VanDerWaalsContact O-N 3.07Å |
| 39 | S | 45.6 | Very low | 62.2 | Low | 107 Ų | 107 | 112.4 Ų | 112.4 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | | | trans | -74.5 | 18.5 | 172.6 | -172.6 | 0 | 0 | 0 | 0 | 113.8 | T36 S41 | T36-S39 PolarHBondContact O-N 3.44Å; S39-S41 PolarHBondContact O-N 3.49Å; S39-S41 VanDerWaalsContact O-N 3.14Å |
| 40 | A | 42.2 | Very low | 61.7 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 72% | 0.719 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -83 | 86.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | F38 | F38-A40 PolarHBondContact O-N 3.08Å; F38-A40 VanDerWaalsContact O-N 3.07Å |
| 41 | S | 40.9 | Very low | 61.5 | Low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | | | trans | 36.2 | 93.9 | 162.9 | 69.1 | 0 | 0 | 0 | 0 | 115.8 | S39 A43 | S39-S41 PolarHBondContact O-N 3.49Å; S39-S41 VanDerWaalsContact O-N 3.14Å; S41-A43 PolarHBondContact O-N 3.17Å |
| 42 | V | 49.3 | Very low | 60.9 | Low | 144 Ų | 144 | 114 Ų | 114 | 87% | 0.873 | 66% | 0.663 | S | S | * | * | | | trans | -69.8 | 69.9 | 149.3 | -173 | 0 | 0 | 0 | 0 | 106.6 | | |
| 43 | A | 54.7 | Low | 60.1 | Low | 63 Ų | 63 | 108.9 Ų | 108.9 | 52% | 0.521 | 66% | 0.656 | S | S | . | * | | | trans | -56.3 | 138.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | S41 A45 | S41-A43 PolarHBondContact O-N 3.17Å; A43-A45 PolarHBondContact O-N 3.07Å |
| 44 | P | 58.2 | Low | 59.9 | Low | 126 Ų | 126 | 107.1 Ų | 107.1 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | | | trans | -51 | 112.7 | -176.4 | 20.9 | -31.4 | 0 | 0 | 0 | 108.1 | D46 | P44-D46 PolarHBondContact O-N 3.43Š|
| 45 | A | 64.1 | Low | 59.6 | Low | 91 Ų | 91 | 105.9 Ų | 105.9 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | | | trans | -58.1 | 113.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | A43 P47 | A43-A45 PolarHBondContact O-N 3.07Å; A45-P47 VanDerWaalsContact O-CD 3.29Å; A45-P47 WeakPolarHBondContact O-CD 3.31Å; A45-P47 VanDerWaalsContact O-N 3.13Å |
| 46 | D | 69.4 | Low | 59.4 | Low | 80 Ų | 80 | 106.5 Ų | 106.5 | 43% | 0.428 | 63% | 0.629 | S | S | . | * | | | trans | -59.9 | 115.7 | 175.7 | 176 | 7.4 | 0 | 0 | 0 | 107.6 | P44 Y48 A49 | P44-D46 PolarHBondContact O-N 3.43Å; D46-Y48 PolarHBondContact O-N 3.47Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.45Å; D46-Y48 WeakPolarHBondContact OD1-CB 3.04Å; D46-Y48 WeakPolarHBondContact OD1-CD2 3.41Å; D46-Y48 PolarHBondContact OD1-N 3.05Å; D46-A49 HydrophobicContact CB-CB 4.33Å; D46-A49 VanDerWaalsContact O-CB 3.28Å; D46-A49 WeakPolarHBondContact O-CB 3.16Å; D46-A49 PolarHBondContact O-N 3.42Å |
| 47 | P | 73 | Confident | 59.2 | Low | 94 Ų | 94 | 107.7 Ų | 107.7 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -16.9 | 178.8 | 26.5 | -34.3 | 0 | 0 | 0 | 111.7 | A45 H50 | A45-P47 VanDerWaalsContact O-CD 3.29Å; A45-P47 WeakPolarHBondContact O-CD 3.31Å; A45-P47 VanDerWaalsContact O-N 3.13Å; P47-H50 PolarHBondContact O-CE1 3.39Å; P47-H50 PolarHBondContact O-ND1 2.66Å |
| 48 | Y | 74.1 | Confident | 59.5 | Low | 149 Ų | 149 | 107.1 Ų | 107.1 | 58% | 0.584 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 8.7 | 177.4 | -54.5 | -67 | 0 | 0 | 0 | 114 | D46 H50 L51 | D46-Y48 PolarHBondContact O-N 3.47Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.45Å; D46-Y48 WeakPolarHBondContact OD1-CB 3.04Å; D46-Y48 WeakPolarHBondContact OD1-CD2 3.41Å; D46-Y48 PolarHBondContact OD1-N 3.05Å; Y48-H50 PolarHBondContact O-N 2.84Å; Y48-L51 HydrophobicContact CD1-CD1 3.71Å; Y48-L51 HydrophobicContact CG-CD1 4.25Å; Y48-L51 WeakPolarHBondContact O-CA 3.47Å; Y48-L51 VanDerWaalsContact O-CB 3.28Å; Y48-L51 WeakPolarHBondContact O-CB 3.28Å; Y48-L51 PolarHBondContact O-N 3.35Å |
| 49 | A | 66.1 | Low | 59.5 | Low | 37 Ų | 37 | 106.9 Ų | 106.9 | 31% | 0.306 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -55.8 | -29.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D46 L51 N52 Q55 | D46-A49 HydrophobicContact CB-CB 4.33Å; D46-A49 VanDerWaalsContact O-CB 3.28Å; D46-A49 WeakPolarHBondContact O-CB 3.16Å; D46-A49 PolarHBondContact O-N 3.42Å; A49-L51 VanDerWaalsContact C-N 3.26Å; A49-L51 PolarHBondContact O-N 3.26Å; A49-N52 PolarHBondContact O-N 3.19Å; A49-Q55 VanDerWaalsContact CB-OE1 3.27Å; A49-Q55 PolarHBondContact O-OE1 3.07Å |
| 50 | H | 73.6 | Confident | 59.6 | Low | 141 Ų | 141 | 106.3 Ų | 106.3 | 65% | 0.653 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -70.7 | -16.8 | 175.3 | 65.8 | -85 | 0 | 0 | 0 | 114.3 | P47 Y48 N52 | P47-H50 PolarHBondContact O-CE1 3.39Å; P47-H50 PolarHBondContact O-ND1 2.66Å; Y48-H50 PolarHBondContact O-N 2.84Å; H50-N52 VanDerWaalsContact C-N 3.3Å |
| 51 | L | 76 | Confident | 59.8 | Low | 116 Ų | 116 | 106 Ų | 106 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -82.8 | -11.1 | 173.9 | -58.9 | -176.1 | 0 | 0 | 0 | 112.3 | Y48 A49 P53 | Y48-L51 HydrophobicContact CD1-CD1 3.71Å; Y48-L51 HydrophobicContact CG-CD1 4.25Å; Y48-L51 WeakPolarHBondContact O-CA 3.47Å; Y48-L51 VanDerWaalsContact O-CB 3.28Å; Y48-L51 WeakPolarHBondContact O-CB 3.28Å; Y48-L51 PolarHBondContact O-N 3.35Å; A49-L51 VanDerWaalsContact C-N 3.26Å; A49-L51 PolarHBondContact O-N 3.26Å; L51-P53 WeakPolarHBondContact O-CD 3.48Å |
| 52 | N | 69.2 | Low | 59.8 | Low | 57 Ų | 57 | 105 Ų | 105 | 31% | 0.305 | 60% | 0.601 | S | S | . | * | | | trans | -95.7 | 97 | 178.1 | -167.6 | -5.2 | 0 | 0 | 0 | 109.9 | A49 H50 L54 Q55 | A49-N52 PolarHBondContact O-N 3.19Å; H50-N52 VanDerWaalsContact C-N 3.3Å; N52-L54 PolarHBondContact O-N 2.64Å; N52-L54 VanDerWaalsContact OD1-CB 3.31Å; N52-L54 WeakPolarHBondContact OD1-CB 3.31Å; N52-L54 PolarHBondContact OD1-N 3.09Å; N52-Q55 HydrophobicContact CB-CB 4.19Å; N52-Q55 HydrophobicContact CB-CG 4.14Å; N52-Q55 PolarHBondContact O-N 3.48Å |
| 53 | P | 62.5 | Low | 59.7 | Low | 103 Ų | 103 | 106.9 Ų | 106.9 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -13.4 | 178.3 | 26.1 | -35.2 | 0 | 0 | 0 | 113.2 | L51 | L51-P53 WeakPolarHBondContact O-CD 3.48Š|
| 54 | L | 62.9 | Low | 59.1 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -26.1 | 175.6 | -58.2 | 170 | 0 | 0 | 0 | 112.7 | N52 Q57 | N52-L54 PolarHBondContact O-N 2.64Å; N52-L54 VanDerWaalsContact OD1-CB 3.31Å; N52-L54 WeakPolarHBondContact OD1-CB 3.31Å; N52-L54 PolarHBondContact OD1-N 3.09Å; L54-Q57 PolarHBondContact O-N 3.37Å |
| 55 | Q | 56.1 | Low | 58.4 | Low | 49 Ų | 49 | 117.4 Ų | 117.4 | 23% | 0.229 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -74.5 | -31.3 | -178 | -87.9 | 173.6 | -20.1 | 0 | 0 | 112.7 | A49 N52 Q57 Q58 Y59 | A49-Q55 VanDerWaalsContact CB-OE1 3.27Å; A49-Q55 PolarHBondContact O-OE1 3.07Å; N52-Q55 HydrophobicContact CB-CB 4.19Å; N52-Q55 HydrophobicContact CB-CG 4.14Å; N52-Q55 PolarHBondContact O-N 3.48Å; Q55-Q57 PolarHBondContact O-N 2.96Å; Q55-Q57 VanDerWaalsContact O-N 3.14Å; Q55-Q58 PolarHBondContact O-N 2.94Å; Q55-Q58 VanDerWaalsContact O-N 3.07Å; Q55-Y59 WeakPolarHBondContact O-CD2 3.37Å |
| 56 | T | 55.2 | Low | 57.5 | Low | 110 Ų | 110 | 118 Ų | 118 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.1 | -20.2 | 176.7 | -26.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 57 | Q | 55.1 | Low | 56.4 | Low | 150 Ų | 150 | 122.8 Ų | 122.8 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -85.5 | -27.8 | 175.6 | -71.1 | -89.7 | -15 | 0 | 0 | 112.6 | L54 Q55 | L54-Q57 PolarHBondContact O-N 3.37Å; Q55-Q57 PolarHBondContact O-N 2.96Å; Q55-Q57 VanDerWaalsContact O-N 3.14Å |
| 58 | Q | 53.4 | Low | 55.1 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.4 | -24.2 | -170.8 | -70 | 178.2 | -58.4 | 0 | 0 | 113.8 | Q55 S61 | Q55-Q58 PolarHBondContact O-N 2.94Å; Q55-Q58 VanDerWaalsContact O-N 3.07Å; Q58-S61 PolarHBondContact O-OG 2.81Å |
| 59 | Y | 47.5 | Very low | 54 | Low | 190 Ų | 190 | 122.7 Ų | 122.7 | 75% | 0.745 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -15.9 | 176.2 | -74.9 | -81 | 0 | 0 | 0 | 113.8 | Q55 S62 | Q55-Y59 WeakPolarHBondContact O-CD2 3.37Å; Y59-S62 PolarHBondContact O-OG 3.38Å |
| 60 | A | 47.5 | Very low | 53 | Low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 61 | S | 47.6 | Very low | 51.8 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -111 | 10.5 | -175.9 | 59 | 0 | 0 | 0 | 0 | 114.4 | Q58 F63 | Q58-S61 PolarHBondContact O-OG 2.81Å; S61-F63 PolarHBondContact O-N 3.15Å |
| 62 | S | 40.6 | Very low | 50.4 | Low | 80 Ų | 80 | 133.6 Ų | 133.6 | 56% | 0.559 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -78.8 | 6.9 | -175.1 | 48.6 | 0 | 0 | 0 | 0 | 115.3 | Y59 | Y59-S62 PolarHBondContact O-OG 3.38Š|
| 63 | F | 46.8 | Very low | 49.4 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -137.2 | 84.7 | 171.8 | -61.1 | -84.9 | 0 | 0 | 0 | 109.6 | S61 | S61-F63 PolarHBondContact O-N 3.15Š|
| 64 | Q | 42.5 | Very low | 48.8 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 150.8 | 97.6 | 154.6 | -81.9 | 161 | -12 | 0 | 0 | 112.4 | N66 | Q64-N66 PolarHBondContact O-N 3.12Š|
| 65 | R | 42.7 | Very low | 47.6 | Very low | 235 Ų | 235 | 140.4 Ų | 140.4 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | | | trans | 44 | 59.9 | 136.4 | -55.7 | -157 | -67.1 | 165.4 | -5.6 | 119.5 | | |
| 66 | N | 45.1 | Very low | 47 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 55% | 0.551 | 74% | 0.736 | S | S | * | * | | | trans | -105.6 | 23.8 | 178.7 | -152.1 | 22.4 | 0 | 0 | 0 | 116 | Q64 D68 L69 | Q64-N66 PolarHBondContact O-N 3.12Å; N66-D68 VanDerWaalsContact C-N 3.35Å; N66-L69 WeakPolarHBondContact OD1-CB 3.41Å |
| 67 | E | 46.3 | Very low | 46.3 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -81.7 | -10 | 174 | -75.5 | -94.3 | 153.1 | 0 | 0 | 113.1 | | |
| 68 | D | 46.2 | Very low | 45.8 | Very low | 131 Ų | 131 | 144 Ų | 144 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -107.8 | 3.6 | -172 | -77.1 | -61.8 | 0 | 0 | 0 | 115.2 | N66 | N66-D68 VanDerWaalsContact C-N 3.35Š|
| 69 | L | 50.6 | Low | 45 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 58% | 0.576 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -105 | 6.1 | -172.3 | -122.9 | 101.2 | 0 | 0 | 0 | 115.7 | N66 | N66-L69 WeakPolarHBondContact OD1-CB 3.41Š|
| 70 | H | 45.8 | Very low | 44.7 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -88.5 | -6.3 | 177.7 | -66.8 | -57 | 0 | 0 | 0 | 114.3 | | |
| 71 | N | 47.5 | Very low | 44.6 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -112.7 | 10.7 | -174.2 | -73.1 | 3.9 | 0 | 0 | 0 | 114.8 | | |
| 72 | R | 47 | Very low | 44.8 | Very low | 206 Ų | 206 | 152.4 Ų | 152.4 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | -128.3 | 5.3 | -160.3 | -91.6 | -172 | 169.5 | 177 | -0.4 | 119.6 | | |
| 73 | L | 49 | Very low | 45.2 | Very low | 156 Ų | 156 | 152 Ų | 152 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | trans | -120.1 | 112.1 | 179.8 | -79.9 | 155 | 0 | 0 | 0 | 112.4 | | |
| 74 | P | 49 | Very low | 45.5 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -79.6 | 151.2 | 179.7 | 32.4 | -31.8 | 0 | 0 | 0 | 111.8 | M76 | P74-M76 PolarHBondContact O-N 2.87Š|
| 75 | D | 37.9 | Very low | 46 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | | | trans | -31.4 | 113.3 | 171.1 | -84.8 | -41.8 | 0 | 0 | 0 | 114.7 | | |
| 76 | M | 44.2 | Very low | 46.3 | Very low | 182 Ų | 182 | 143 Ų | 143 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | | | trans | -140.9 | 83.7 | 155.2 | -89 | -80.6 | 92.7 | 0 | 0 | 109.1 | P74 | P74-M76 PolarHBondContact O-N 2.87Š|
| 77 | A | 40.4 | Very low | 46.6 | Very low | 77 Ų | 77 | 147.8 Ų | 147.8 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | -66.5 | 157.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 78 | T | 44.6 | Very low | 46.8 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | 86.9 | 87.5 | 159.5 | -23.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 79 | Y | 36.8 | Very low | 47.4 | Very low | 237 Ų | 237 | 143.4 Ų | 143.4 | 93% | 0.929 | 74% | 0.735 | S | S | * | * | | | trans | 179 | 71.6 | 140.4 | -107.7 | -76.8 | 0 | 0 | 0 | 110.3 | | |
| 80 | S | 40.2 | Very low | 47.8 | Very low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | trans | -166.6 | 69.4 | 155.6 | -157.5 | 0 | 0 | 0 | 0 | 111.6 | R82 | S80-R82 VanDerWaalsContact C-N 3.3Š|
| 81 | S | 46.3 | Very low | 47.7 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -86.8 | 7.3 | 176.1 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 82 | R | 50.6 | Low | 47.7 | Very low | 228 Ų | 228 | 141 Ų | 141 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -115 | -0.7 | -175.5 | -73.9 | -173.2 | 169.4 | 169 | -2.3 | 115.4 | S80 | S80-R82 VanDerWaalsContact C-N 3.3Š|
| 83 | A | 50.7 | Low | 47.7 | Very low | 71 Ų | 71 | 135 Ų | 135 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -94.6 | -2.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 84 | T | 53.2 | Low | 47.8 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 55% | 0.552 | 72% | 0.721 | S | S | * | * | | | trans | -86.3 | -13.8 | -166.9 | -35.2 | 0 | 0 | 0 | 0 | 114 | Y86 R87 | T84-Y86 PolarHBondContact O-N 3.39Å; T84-R87 PolarHBondContact O-N 3.11Å |
| 85 | D | 52.3 | Low | 47.7 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -20.3 | -165 | -60.1 | -25.1 | 0 | 0 | 0 | 114.7 | S88 | D85-S88 PolarHBondContact O-OG 3.27Š|
| 86 | Y | 48.2 | Very low | 48.5 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -15.8 | 176.5 | -71.9 | -81.1 | 0 | 0 | 0 | 113.7 | T84 | T84-Y86 PolarHBondContact O-N 3.39Š|
| 87 | R | 51.5 | Low | 48.7 | Very low | 203 Ų | 203 | 131 Ų | 131 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -15.4 | -172.4 | -133.7 | 177.1 | 174.2 | 167.7 | -2 | 113.5 | T84 | T84-R87 PolarHBondContact O-N 3.11Š|
| 88 | S | 50.3 | Low | 49.3 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -17.6 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | D85 | D85-S88 PolarHBondContact O-OG 3.27Š|
| 89 | I | 58.4 | Low | 49.8 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 70% | 0.703 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -25 | 179.1 | -54.4 | 175.4 | 0 | 0 | 0 | 111.1 | | |
| 90 | I | 60.2 | Low | 50.9 | Low | 123 Ų | 123 | 118.9 Ų | 118.9 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -19 | -173 | -54 | 178.9 | 0 | 0 | 0 | 111.9 | | |
| 91 | H | 44.3 | Very low | 52.1 | Low | 124 Ų | 124 | 121.6 Ų | 121.6 | 57% | 0.574 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -138 | 114.1 | -179.4 | -65 | -75.3 | 0 | 0 | 0 | 110.2 | A93 | H91-A93 PolarHBondContact O-N 3.42Š|
| 92 | P | 46 | Very low | 52.8 | Low | 130 Ų | 130 | 120.3 Ų | 120.3 | 84% | 0.844 | 65% | 0.651 | S | S | * | * | | | trans | -51.8 | 126.4 | 167.8 | -19.6 | 30.4 | 0 | 0 | 0 | 108.5 | | |
| 93 | A | 48.4 | Very low | 53.4 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 65% | 0.653 | 63% | 0.625 | S | S | * | * | | | trans | -61.3 | 161.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H91 | H91-A93 PolarHBondContact O-N 3.42Š|
| 94 | T | 51.4 | Low | 54.1 | Low | 124 Ų | 124 | 113.4 Ų | 113.4 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | | | trans | 74.9 | 108.3 | 154.3 | 66.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 95 | H | 46.9 | Very low | 55 | Low | 150 Ų | 150 | 113.8 Ų | 113.8 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | | | | -151.9 | 136.7 | 104.8 | -114.8 | -94.7 | 0 | 0 | 0 | 109.1 | V98 | H95-V98 HydrophobicContact CB-CG2 4.48Š|
| 96 | P | 53.4 | Low | 55.5 | Low | 99 Ų | 99 | 113.3 Ų | 113.3 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | | | trans | -59 | 148.3 | -178.1 | 27.7 | -35.5 | 0 | 0 | 0 | 109.8 | V98 | P96-V98 VanDerWaalsContact C-N 3.26Å; P96-V98 WeakPolarHBondContact O-CG2 3.45Å; P96-V98 PolarHBondContact O-N 2.8Å |
| 97 | T | 48.4 | Very low | 56.3 | Low | 150 Ų | 150 | 109.3 Ų | 109.3 | 92% | 0.92 | 61% | 0.61 | S | S | * | * | | | trans | -23.5 | 81.9 | 178.3 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | S99 | T97-S99 PolarHBondContact O-N 3.07Š|
| 98 | V | 52.8 | Low | 56.7 | Low | 50 Ų | 50 | 103.6 Ų | 103.6 | 30% | 0.303 | 60% | 0.598 | S | S | . | * | | | trans | -79.8 | 114.9 | 170.4 | -178.2 | 0 | 0 | 0 | 0 | 103.1 | H95 P96 A100 D102 A103 | H95-V98 HydrophobicContact CB-CG2 4.48Å; P96-V98 VanDerWaalsContact C-N 3.26Å; P96-V98 WeakPolarHBondContact O-CG2 3.45Å; P96-V98 PolarHBondContact O-N 2.8Å; V98-A100 PolarHBondContact O-N 3.04Å; V98-D102 HydrophobicContact CG1-CB 3.35Å; V98-A103 HydrophobicContact CG1-CB 3.92Å; V98-A103 VanDerWaalsContact CG1-N 3.28Å |
| 99 | S | 55.9 | Low | 57.2 | Low | 59 Ų | 59 | 106.1 Ų | 106.1 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | | | trans | -48.1 | 139 | 170.4 | 173.4 | 0 | 0 | 0 | 0 | 107.9 | T97 Q101 D102 A103 | T97-S99 PolarHBondContact O-N 3.07Å; S99-Q101 CarbonylContact O-C 3.58Å; S99-Q101 PolarHBondContact O-N 3.22Å; S99-D102 PolarHBondContact O-N 3.14Å; S99-A103 PolarHBondContact O-N 2.89Å; S99-A103 VanDerWaalsContact O-N 3.12Å |
| 100 | A | 60.5 | Low | 57 | Low | 78 Ų | 78 | 104.3 Ų | 104.3 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -51.5 | -25.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V98 L104 | V98-A100 PolarHBondContact O-N 3.04Å; A100-L104 PolarHBondContact O-N 3.38Å; A100-L104 VanDerWaalsContact O-N 3.15Å |
| 101 | Q | 63.8 | Low | 56.8 | Low | 149 Ų | 149 | 101.1 Ų | 101.1 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.5 | -45.5 | 173.1 | -63.9 | 178.4 | -8.6 | 0 | 0 | 113 | S99 A103 L104 L105 | S99-Q101 CarbonylContact O-C 3.58Å; S99-Q101 PolarHBondContact O-N 3.22Å; Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-L104 PolarHBondContact O-N 3.19Å; Q101-L105 WeakPolarHBondContact O-CG 3.35Å; Q101-L105 PolarHBondContact O-N 3Å; Q101-L105 VanDerWaalsContact O-N 3.07Å |
| 102 | D | 62.4 | Low | 57.2 | Low | 84 Ų | 84 | 102.7 Ų | 102.7 | 45% | 0.449 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.2 | -31.6 | 178.1 | -68.4 | -34.9 | 0 | 0 | 0 | 111.8 | V98 S99 L105 Q106 | V98-D102 HydrophobicContact CG1-CB 3.35Å; S99-D102 PolarHBondContact O-N 3.14Å; D102-L105 PolarHBondContact O-N 2.91Å; D102-Q106 WeakPolarHBondContact O-CG 3.5Å; D102-Q106 PolarHBondContact O-N 3.33Å |
| 103 | A | 63.2 | Low | 57.6 | Low | 38 Ų | 38 | 100.4 Ų | 100.4 | 31% | 0.314 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.2 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V98 S99 Q101 Q106 L107 | V98-A103 HydrophobicContact CG1-CB 3.92Å; V98-A103 VanDerWaalsContact CG1-N 3.28Å; S99-A103 PolarHBondContact O-N 2.89Å; S99-A103 VanDerWaalsContact O-N 3.12Å; Q101-A103 VanDerWaalsContact C-N 3.33Å; A103-Q106 PolarHBondContact O-N 2.76Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.28Å; A103-L107 VanDerWaalsContact O-N 3.07Å |
| 104 | L | 65.1 | Low | 57.8 | Low | 116 Ų | 116 | 102.2 Ų | 102.2 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.6 | -44 | 172.8 | -96.3 | 162.9 | 0 | 0 | 0 | 111.8 | A100 Q101 Q106 L107 T108 | A100-L104 PolarHBondContact O-N 3.38Å; A100-L104 VanDerWaalsContact O-N 3.15Å; Q101-L104 PolarHBondContact O-N 3.19Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.05Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L104-T108 PolarHBondContact O-N 3.1Å; L104-T108 PolarHBondContact O-OG1 2.98Å |
| 105 | L | 71.6 | Confident | 57.8 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.3 | -43.7 | 177 | -73.4 | 168.7 | 0 | 0 | 0 | 111.9 | Q101 D102 L107 T108 H109 | Q101-L105 WeakPolarHBondContact O-CG 3.35Å; Q101-L105 PolarHBondContact O-N 3Å; Q101-L105 VanDerWaalsContact O-N 3.07Å; D102-L105 PolarHBondContact O-N 2.91Å; L105-L107 PolarHBondContact O-N 3.45Å; L105-T108 VanDerWaalsContact CA-OG1 3.31Å; L105-T108 WeakPolarHBondContact CA-OG1 3.28Å; L105-T108 PolarHBondContact O-N 3.44Å; L105-T108 PolarHBondContact O-OG1 2.99Å; L105-H109 PolarHBondContact O-CD2 3.04Å; L105-H109 PolarHBondContact O-N 2.88Å; L105-H109 VanDerWaalsContact O-N 3.08Å |
| 106 | Q | 62.4 | Low | 58 | Low | 105 Ų | 105 | 103.9 Ų | 103.9 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -38.6 | 175.4 | -74.7 | 178.5 | 31.4 | 0 | 0 | 112.7 | D102 A103 L104 H109 N110 | D102-Q106 WeakPolarHBondContact O-CG 3.5Å; D102-Q106 PolarHBondContact O-N 3.33Å; A103-Q106 PolarHBondContact O-N 2.76Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.05Å; Q106-H109 PolarHBondContact O-N 3.03Å; Q106-N110 VanDerWaalsContact O-CG 3.24Å; Q106-N110 PolarHBondContact O-N 3.45Å; Q106-N110 VanDerWaalsContact O-N 3.11Å; Q106-N110 PolarHBondContact O-ND2 3.14Å |
| 107 | L | 64.4 | Low | 57.8 | Low | 115 Ų | 115 | 106.7 Ų | 106.7 | 60% | 0.602 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.2 | -41 | 176.1 | -72 | 168.8 | 0 | 0 | 0 | 112 | A103 L104 L105 H109 N110 A111 | A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.28Å; A103-L107 VanDerWaalsContact O-N 3.07Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L105-L107 PolarHBondContact O-N 3.45Å; L107-H109 PolarHBondContact O-N 3.03Å; L107-N110 PolarHBondContact O-N 3.48Å; L107-A111 PolarHBondContact O-N 3.07Å |
| 108 | T | 60.6 | Low | 57.8 | Low | 84 Ų | 84 | 108 Ų | 108 | 52% | 0.515 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.1 | -38.1 | 175.6 | 30 | 0 | 0 | 0 | 0 | 112.7 | L104 L105 N110 A111 | L104-T108 PolarHBondContact O-N 3.1Å; L104-T108 PolarHBondContact O-OG1 2.98Å; L105-T108 VanDerWaalsContact CA-OG1 3.31Å; L105-T108 WeakPolarHBondContact CA-OG1 3.28Å; L105-T108 PolarHBondContact O-N 3.44Å; L105-T108 PolarHBondContact O-OG1 2.99Å; T108-N110 VanDerWaalsContact C-N 3.33Å; T108-N110 PolarHBondContact O-N 3.41Å; T108-A111 PolarHBondContact O-N 2.98Å |
| 109 | H | 60.9 | Low | 57.5 | Low | 137 Ų | 137 | 117 Ų | 117 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.4 | -32.8 | 175.1 | -80 | -63.4 | 0 | 0 | 0 | 113 | L105 Q106 L107 | L105-H109 PolarHBondContact O-CD2 3.04Å; L105-H109 PolarHBondContact O-N 2.88Å; L105-H109 VanDerWaalsContact O-N 3.08Å; Q106-H109 PolarHBondContact O-N 3.03Å; L107-H109 PolarHBondContact O-N 3.03Å |
| 110 | N | 55.4 | Low | 57.1 | Low | 99 Ų | 99 | 119.9 Ų | 119.9 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -77.1 | -25.8 | 177.7 | -68.4 | -31.7 | 0 | 0 | 0 | 112.8 | Q106 L107 T108 E112 S113 | Q106-N110 VanDerWaalsContact O-CG 3.24Å; Q106-N110 PolarHBondContact O-N 3.45Å; Q106-N110 VanDerWaalsContact O-N 3.11Å; Q106-N110 PolarHBondContact O-ND2 3.14Å; L107-N110 PolarHBondContact O-N 3.48Å; T108-N110 VanDerWaalsContact C-N 3.33Å; T108-N110 PolarHBondContact O-N 3.41Å; N110-E112 VanDerWaalsContact C-N 3.32Å; N110-E112 PolarHBondContact O-N 3.03Å; N110-S113 WeakPolarHBondContact O-CB 3.47Å; N110-S113 PolarHBondContact O-N 3.13Å; N110-S113 VanDerWaalsContact O-N 3.12Å |
| 111 | A | 55.2 | Low | 56.6 | Low | 55 Ų | 55 | 119.2 Ų | 119.2 | 46% | 0.455 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.3 | -33.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L107 T108 S113 I114 | L107-A111 PolarHBondContact O-N 3.07Å; T108-A111 PolarHBondContact O-N 2.98Å; A111-S113 PolarHBondContact O-N 3.33Å; A111-I114 PolarHBondContact O-N 2.97Å |
| 112 | E | 52.2 | Low | 56 | Low | 158 Ų | 158 | 121.7 Ų | 121.7 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -23.4 | 175.8 | -69.1 | -178.1 | 163.2 | 0 | 0 | 112.6 | N110 | N110-E112 VanDerWaalsContact C-N 3.32Å; N110-E112 PolarHBondContact O-N 3.03Å |
| 113 | S | 54 | Low | 55.2 | Low | 81 Ų | 81 | 122.8 Ų | 122.8 | 57% | 0.566 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -16.7 | 177.2 | -171.2 | 0 | 0 | 0 | 0 | 113.7 | N110 A111 H115 | N110-S113 WeakPolarHBondContact O-CB 3.47Å; N110-S113 PolarHBondContact O-N 3.13Å; N110-S113 VanDerWaalsContact O-N 3.12Å; A111-S113 PolarHBondContact O-N 3.33Å; S113-H115 VanDerWaalsContact C-N 3.25Å; S113-H115 PolarHBondContact O-N 3.21Å |
| 114 | I | 54 | Low | 54.5 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 61% | 0.605 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -72.7 | -21.6 | -175.6 | -61.6 | 173.5 | 0 | 0 | 0 | 111.4 | A111 N116 M117 | A111-I114 PolarHBondContact O-N 2.97Å; I114-N116 PolarHBondContact O-N 2.87Å; I114-N116 VanDerWaalsContact O-N 3.13Å; I114-M117 PolarHBondContact O-N 3.04Å |
| 115 | H | 51.6 | Low | 53.7 | Low | 168 Ų | 168 | 129.2 Ų | 129.2 | 78% | 0.778 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -66.9 | -14.5 | 179.6 | -113.4 | -55 | 0 | 0 | 0 | 114.9 | S113 | S113-H115 VanDerWaalsContact C-N 3.25Å; S113-H115 PolarHBondContact O-N 3.21Å |
| 116 | N | 49.6 | Very low | 52.6 | Low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -98.4 | -2.5 | -175.9 | -70.5 | -44.6 | 0 | 0 | 0 | 115.1 | I114 | I114-N116 PolarHBondContact O-N 2.87Å; I114-N116 VanDerWaalsContact O-N 3.13Å |
| 117 | M | 50.6 | Low | 51.9 | Low | 159 Ų | 159 | 132.9 Ų | 132.9 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -97.5 | -2.7 | -175.4 | -77 | -144.7 | -64.4 | 0 | 0 | 115.9 | I114 Y119 | I114-M117 PolarHBondContact O-N 3.04Å; M117-Y119 PolarHBondContact O-N 3.46Å |
| 118 | E | 47.9 | Very low | 50.9 | Low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -1.5 | -170.3 | -157 | 167 | -178.5 | 0 | 0 | 115.4 | | |
| 119 | Y | 46.7 | Very low | 50 | Low | 237 Ų | 237 | 136.8 Ų | 136.8 | 93% | 0.929 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 3 | -175.7 | -128.4 | -94 | 0 | 0 | 0 | 116.4 | M117 | M117-Y119 PolarHBondContact O-N 3.46Š|
| 120 | C | 47.9 | Very low | 49.1 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -116.8 | 22.5 | -172.6 | -151.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 121 | G | 50.2 | Low | 48.8 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | trans | -93.9 | -10.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | S123 | G121-S123 PolarHBondContact O-N 3.42Š|
| 122 | Q | 49.5 | Very low | 48.5 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 94% | 0.944 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -7 | -162.5 | -99.2 | 178 | 34.1 | 0 | 0 | 116.9 | | |
| 123 | S | 47 | Very low | 48.3 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 3.4 | -165.4 | -158 | 0 | 0 | 0 | 0 | 117.4 | G121 | G121-S123 PolarHBondContact O-N 3.42Š|
| 124 | V | 47.8 | Very low | 48.1 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -111.4 | 4.8 | -169.3 | -141.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 125 | L | 49.5 | Very low | 47.7 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -88 | 0.3 | -177.1 | -74.3 | 174.3 | 0 | 0 | 0 | 115.2 | | |
| 126 | S | 46.8 | Very low | 47.7 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -89.8 | -12.9 | -166.5 | 50.2 | 0 | 0 | 0 | 0 | 117 | | |
| 127 | E | 48.5 | Very low | 47.6 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -127.9 | 3 | -161.6 | -71.1 | -171.9 | 152.9 | 0 | 0 | 118.3 | | |
| 128 | Q | 43 | Very low | 47.8 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -138.3 | 14.7 | -171.5 | -142.4 | 176.6 | 11.1 | 0 | 0 | 118.6 | | |
| 129 | T | 42.8 | Very low | 48.2 | Very low | 97 Ų | 97 | 143 Ų | 143 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | | | trans | -106.7 | 45.9 | -179 | 37.1 | 0 | 0 | 0 | 0 | 113.8 | V131 I132 | T129-V131 PolarHBondContact O-N 3.34Å; T129-V131 VanDerWaalsContact O-N 3.12Å; T129-I132 HydrophobicContact CG2-CD1 3.4Å; T129-I132 HydrophobicContact CG2-CG1 3.94Å |
| 130 | G | 41.1 | Very low | 48.5 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 10.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 131 | V | 48.3 | Very low | 49 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 62% | 0.618 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 8 | -172.6 | -122.6 | 0 | 0 | 0 | 0 | 115.6 | T129 R133 | T129-V131 PolarHBondContact O-N 3.34Å; T129-V131 VanDerWaalsContact O-N 3.12Å; V131-R133 PolarHBondContact O-N 3Å |
| 132 | I | 49.2 | Very low | 49.5 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | | | trans | -77.5 | 83.8 | 174.7 | -54.1 | -178.4 | 0 | 0 | 0 | 108.9 | T129 K134 | T129-I132 HydrophobicContact CG2-CD1 3.4Å; T129-I132 HydrophobicContact CG2-CG1 3.94Å; I132-K134 PolarHBondContact O-N 3.33Å |
| 133 | R | 49.2 | Very low | 50 | Low | 209 Ų | 209 | 136.5 Ų | 136.5 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | | | trans | -54.3 | 100.6 | 168.2 | -72.5 | 177.9 | -109.3 | -110.5 | -0.6 | 109.4 | V131 G135 | V131-R133 PolarHBondContact O-N 3Å; R133-G135 PolarHBondContact O-N 3.47Å |
| 134 | K | 49.5 | Very low | 50.8 | Low | 213 Ų | 213 | 137.1 Ų | 137.1 | 93% | 0.926 | 72% | 0.724 | S | S | * | * | | | trans | 15.3 | 82.5 | 132.4 | -156.2 | 172.9 | -173 | 175.4 | 0 | 113 | I132 | I132-K134 PolarHBondContact O-N 3.33Š|
| 135 | G | 44.6 | Very low | 51.6 | Low | 54 Ų | 54 | 133.8 Ų | 133.8 | 56% | 0.557 | 71% | 0.706 | S | S | * | * | | | trans | -150.9 | 23 | -170 | 0 | 0 | 0 | 0 | 0 | 114.4 | R133 R137 | R133-G135 PolarHBondContact O-N 3.47Å; G135-R137 PolarHBondContact O-N 3.25Å |
| 136 | I | 52 | Low | 52.2 | Low | 179 Ų | 179 | 128.2 Ų | 128.2 | 92% | 0.918 | 68% | 0.683 | S | S | * | * | | | trans | -73.5 | 70.1 | 159.9 | -51.7 | 173.7 | 0 | 0 | 0 | 106.1 | L138 | I136-L138 PolarHBondContact O-N 2.77Š|
| 137 | R | 48 | Very low | 53.1 | Low | 210 Ų | 210 | 127.7 Ų | 127.7 | 79% | 0.792 | 67% | 0.672 | S | S | * | * | | | trans | -76.7 | 107.2 | -179 | -80.8 | -170.6 | 164 | -163.5 | -4.2 | 107.6 | G135 T139 | G135-R137 PolarHBondContact O-N 3.25Å; R137-T139 PolarHBondContact O-N 2.97Å; R137-T139 PolarHBondContact O-OG1 3.23Å; R137-T139 VanDerWaalsContact O-OG1 3.09Å |
| 138 | L | 53.6 | Low | 54.2 | Low | 133 Ų | 133 | 124.5 Ų | 124.5 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 19.4 | -27.5 | 155 | -102.4 | 70.8 | 0 | 0 | 0 | 122.4 | I136 N140 L141 V142 | I136-L138 PolarHBondContact O-N 2.77Å; L138-N140 PolarHBondContact O-N 3.1Å; L138-L141 PolarHBondContact O-N 2.9Å; L138-V142 WeakPolarHBondContact O-CG2 3.48Å; L138-V142 PolarHBondContact O-N 3.23Å; L138-V142 VanDerWaalsContact O-N 3.11Å |
| 139 | T | 56.8 | Low | 55.2 | Low | 104 Ų | 104 | 122.5 Ų | 122.5 | 64% | 0.638 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.2 | -40.4 | -172.5 | 48 | 0 | 0 | 0 | 0 | 112.7 | R137 F143 | R137-T139 PolarHBondContact O-N 2.97Å; R137-T139 PolarHBondContact O-OG1 3.23Å; R137-T139 VanDerWaalsContact O-OG1 3.09Å; T139-F143 WeakPolarHBondContact O-CB 3.42Å; T139-F143 PolarHBondContact O-N 2.9Å; T139-F143 VanDerWaalsContact O-N 3.07Å |
| 140 | N | 53.6 | Low | 56.2 | Low | 129 Ų | 129 | 127.1 Ų | 127.1 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.2 | -32.9 | 177.5 | -79.4 | -26 | 0 | 0 | 0 | 113.4 | L138 M144 | L138-N140 PolarHBondContact O-N 3.1Å; N140-M144 WeakPolarHBondContact O-CG 3.29Å; N140-M144 PolarHBondContact O-N 3.32Å; N140-M144 VanDerWaalsContact O-N 3.14Å |
| 141 | L | 58.5 | Low | 57.2 | Low | 134 Ų | 134 | 126.5 Ų | 126.5 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73 | -39.3 | 178.8 | -167.9 | 67.3 | 0 | 0 | 0 | 111.3 | L138 F143 M144 S145 | L138-L141 PolarHBondContact O-N 2.9Å; L141-F143 VanDerWaalsContact C-N 3.35Å; L141-M144 PolarHBondContact O-N 3.35Å; L141-S145 PolarHBondContact O-N 3.29Å; L141-S145 PolarHBondContact O-OG 3.14Å |
| 142 | V | 61.4 | Low | 57.9 | Low | 85 Ų | 85 | 126.2 Ų | 126.2 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.4 | -41.5 | 174.4 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | L138 M144 S145 A146 | L138-V142 WeakPolarHBondContact O-CG2 3.48Å; L138-V142 PolarHBondContact O-N 3.23Å; L138-V142 VanDerWaalsContact O-N 3.11Å; V142-M144 PolarHBondContact O-N 3.42Å; V142-S145 WeakPolarHBondContact CA-OG 3.31Å; V142-S145 PolarHBondContact O-N 3.48Å; V142-S145 PolarHBondContact O-OG 3.07Å; V142-A146 PolarHBondContact O-N 3.4Å |
| 143 | F | 59.1 | Low | 58.5 | Low | 139 Ų | 139 | 122.3 Ų | 122.3 | 61% | 0.61 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.2 | -41.9 | 179.2 | -142.2 | -93.5 | 0 | 0 | 0 | 112.5 | T139 L141 A146 L147 | T139-F143 WeakPolarHBondContact O-CB 3.42Å; T139-F143 PolarHBondContact O-N 2.9Å; T139-F143 VanDerWaalsContact O-N 3.07Å; L141-F143 VanDerWaalsContact C-N 3.35Å; F143-A146 PolarHBondContact O-N 3.07Å; F143-L147 HydrophobicContact CD1-CD1 3.71Å; F143-L147 HydrophobicContact CE1-CD1 3.96Å; F143-L147 PolarHBondContact O-N 3.11Å; F143-L147 VanDerWaalsContact O-N 3.1Å |
| 144 | M | 63.1 | Low | 59 | Low | 121 Ų | 121 | 117 Ų | 117 | 60% | 0.596 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.1 | -38.3 | 176.2 | -69.8 | -64.8 | 136.2 | 0 | 0 | 112.4 | N140 L141 V142 L147 L148 | N140-M144 WeakPolarHBondContact O-CG 3.29Å; N140-M144 PolarHBondContact O-N 3.32Å; N140-M144 VanDerWaalsContact O-N 3.14Å; L141-M144 PolarHBondContact O-N 3.35Å; V142-M144 PolarHBondContact O-N 3.42Å; M144-L147 HydrophobicContact CE-CD1 4.44Å; M144-L147 PolarHBondContact O-N 3.05Å; M144-L148 WeakPolarHBondContact O-CB 3.3Å; M144-L148 PolarHBondContact O-N 3.21Å |
| 145 | S | 64.8 | Low | 59.4 | Low | 57 Ų | 57 | 112.3 Ų | 112.3 | 40% | 0.399 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.7 | -36.6 | 176.1 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | L141 V142 L148 Q149 | L141-S145 PolarHBondContact O-N 3.29Å; L141-S145 PolarHBondContact O-OG 3.14Å; V142-S145 WeakPolarHBondContact CA-OG 3.31Å; V142-S145 PolarHBondContact O-N 3.48Å; V142-S145 PolarHBondContact O-OG 3.07Å; S145-L148 PolarHBondContact O-N 3.29Å; S145-Q149 PolarHBondContact O-N 3.47Å |
| 146 | A | 63.5 | Low | 59.9 | Low | 45 Ų | 45 | 113.7 Ų | 113.7 | 37% | 0.372 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.7 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V142 F143 R150 | V142-A146 PolarHBondContact O-N 3.4Å; F143-A146 PolarHBondContact O-N 3.07Å; A146-R150 WeakPolarHBondContact O-CG 3.39Å; A146-R150 PolarHBondContact O-N 3.11Å; A146-R150 VanDerWaalsContact O-N 3.13Å |
| 147 | L | 64.7 | Low | 60.1 | Low | 89 Ų | 89 | 109.2 Ų | 109.2 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -42.6 | 173.2 | -87.5 | 154.4 | 0 | 0 | 0 | 111.5 | F143 M144 R150 S151 | F143-L147 HydrophobicContact CD1-CD1 3.71Å; F143-L147 HydrophobicContact CE1-CD1 3.96Å; F143-L147 PolarHBondContact O-N 3.11Å; F143-L147 VanDerWaalsContact O-N 3.1Å; M144-L147 HydrophobicContact CE-CD1 4.44Å; M144-L147 PolarHBondContact O-N 3.05Å; L147-R150 PolarHBondContact O-N 3.33Å; L147-S151 PolarHBondContact O-N 3.31Å |
| 148 | L | 71.6 | Confident | 60.2 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 59% | 0.592 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.8 | -41.1 | 179.5 | -169.4 | 62.2 | 0 | 0 | 0 | 112.3 | M144 S145 R150 S151 I152 | M144-L148 WeakPolarHBondContact O-CB 3.3Å; M144-L148 PolarHBondContact O-N 3.21Å; S145-L148 PolarHBondContact O-N 3.29Å; L148-R150 VanDerWaalsContact C-N 3.34Å; L148-R150 PolarHBondContact O-N 3.42Å; L148-S151 PolarHBondContact O-N 2.77Å; L148-I152 HydrophobicContact CG-CD1 4.18Å; L148-I152 VanDerWaalsContact O-CG1 3.31Å; L148-I152 WeakPolarHBondContact O-CG1 3.24Å; L148-I152 PolarHBondContact O-N 3.23Å |
| 149 | Q | 65 | Low | 60.4 | Low | 141 Ų | 141 | 100.2 Ų | 100.2 | 66% | 0.659 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.7 | -36.6 | 175.3 | -80 | 174 | -10.5 | 0 | 0 | 112.6 | S145 I152 A153 | S145-Q149 PolarHBondContact O-N 3.47Å; Q149-I152 PolarHBondContact O-N 3.35Å; Q149-A153 WeakPolarHBondContact O-CB 3.28Å; Q149-A153 PolarHBondContact O-N 3.32Å |
| 150 | R | 62.7 | Low | 60.2 | Low | 194 Ų | 194 | 102.5 Ų | 102.5 | 73% | 0.732 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68 | -40 | 174.9 | -76.3 | -176.1 | 168 | -151.9 | -3 | 112.3 | A146 L147 L148 I152 A153 V154 | A146-R150 WeakPolarHBondContact O-CG 3.39Å; A146-R150 PolarHBondContact O-N 3.11Å; A146-R150 VanDerWaalsContact O-N 3.13Å; L147-R150 PolarHBondContact O-N 3.33Å; L148-R150 VanDerWaalsContact C-N 3.34Å; L148-R150 PolarHBondContact O-N 3.42Å; R150-I152 VanDerWaalsContact C-N 3.32Å; R150-I152 PolarHBondContact O-N 2.7Å; R150-A153 PolarHBondContact O-N 3.24Å; R150-V154 VanDerWaalsContact O-CG2 3.28Å; R150-V154 WeakPolarHBondContact O-CG2 3.46Å; R150-V154 PolarHBondContact O-N 3.18Å |
| 151 | S | 62.7 | Low | 60.1 | Low | 69 Ų | 69 | 107.4 Ų | 107.4 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -33.5 | 174.7 | -78 | 0 | 0 | 0 | 0 | 113.1 | L147 L148 N155 | L147-S151 PolarHBondContact O-N 3.31Å; L148-S151 PolarHBondContact O-N 2.77Å; S151-N155 PolarHBondContact O-N 2.81Å; S151-N155 PolarHBondContact O-ND2 2.97Å |
| 152 | I | 62 | Low | 59.5 | Low | 95 Ų | 95 | 111.3 Ų | 111.3 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.6 | -44.1 | 175.8 | -64.3 | 164.4 | 0 | 0 | 0 | 110.5 | L148 Q149 R150 V154 N155 T156 | L148-I152 HydrophobicContact CG-CD1 4.18Å; L148-I152 VanDerWaalsContact O-CG1 3.31Å; L148-I152 WeakPolarHBondContact O-CG1 3.24Å; L148-I152 PolarHBondContact O-N 3.23Å; Q149-I152 PolarHBondContact O-N 3.35Å; R150-I152 VanDerWaalsContact C-N 3.32Å; R150-I152 PolarHBondContact O-N 2.7Å; I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 PolarHBondContact O-N 3.12Å; I152-N155 PolarHBondContact O-N 3.04Å; I152-N155 VanDerWaalsContact O-N 3.1Å; I152-T156 HydrophobicContact CG2-CG2 4.21Å; I152-T156 PolarHBondContact O-N 3.18Å; I152-T156 PolarHBondContact O-OG1 3.43Å |
| 153 | A | 61.5 | Low | 59.4 | Low | 56 Ų | 56 | 112.6 Ų | 112.6 | 46% | 0.463 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63 | -34.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q149 R150 T156 S157 | Q149-A153 WeakPolarHBondContact O-CB 3.28Å; Q149-A153 PolarHBondContact O-N 3.32Å; R150-A153 PolarHBondContact O-N 3.24Å; A153-T156 PolarHBondContact O-OG1 2.88Å; A153-S157 VanDerWaalsContact O-CB 3.3Å; A153-S157 WeakPolarHBondContact O-CB 3.22Å; A153-S157 PolarHBondContact O-N 3.16Å; A153-S157 VanDerWaalsContact O-N 3.11Å |
| 154 | V | 60.9 | Low | 59.4 | Low | 97 Ų | 97 | 111.2 Ų | 111.2 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -35.7 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | R150 I152 C158 | R150-V154 VanDerWaalsContact O-CG2 3.28Å; R150-V154 WeakPolarHBondContact O-CG2 3.46Å; R150-V154 PolarHBondContact O-N 3.18Å; I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 PolarHBondContact O-N 3.12Å; V154-C158 PolarHBondContact O-SG 3Å |
| 155 | N | 57.6 | Low | 59.2 | Low | 115 Ų | 115 | 110.7 Ų | 110.7 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.1 | -32.7 | 178 | -80.4 | -58.7 | 0 | 0 | 0 | 113.4 | S151 I152 C158 A159 | S151-N155 PolarHBondContact O-N 2.81Å; S151-N155 PolarHBondContact O-ND2 2.97Å; I152-N155 PolarHBondContact O-N 3.04Å; I152-N155 VanDerWaalsContact O-N 3.1Å; N155-C158 PolarHBondContact O-N 2.86Å; N155-A159 PolarHBondContact O-N 3.17Å |
| 156 | T | 55.7 | Low | 58.9 | Low | 82 Ų | 82 | 113.8 Ų | 113.8 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.4 | -30.6 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | I152 A153 C158 A159 D160 | I152-T156 HydrophobicContact CG2-CG2 4.21Å; I152-T156 PolarHBondContact O-N 3.18Å; I152-T156 PolarHBondContact O-OG1 3.43Å; A153-T156 PolarHBondContact O-OG1 2.88Å; T156-C158 PolarHBondContact O-N 3.43Å; T156-A159 PolarHBondContact O-N 3.15Å; T156-D160 PolarHBondContact O-N 2.94Å; T156-D160 VanDerWaalsContact O-N 3.11Å |
| 157 | S | 54.5 | Low | 58.6 | Low | 85 Ų | 85 | 118.1 Ų | 118.1 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.8 | -29.1 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | A153 | A153-S157 VanDerWaalsContact O-CB 3.3Å; A153-S157 WeakPolarHBondContact O-CB 3.22Å; A153-S157 PolarHBondContact O-N 3.16Å; A153-S157 VanDerWaalsContact O-N 3.11Å |
| 158 | C | 51.7 | Low | 58.2 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.5 | -21.1 | 172.3 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | V154 N155 T156 | V154-C158 PolarHBondContact O-SG 3Å; N155-C158 PolarHBondContact O-N 2.86Å; T156-C158 PolarHBondContact O-N 3.43Å |
| 159 | A | 57.2 | Low | 57.2 | Low | 65 Ų | 65 | 120.6 Ų | 120.6 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -87.4 | -24.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N155 T156 R161 | N155-A159 PolarHBondContact O-N 3.17Å; T156-A159 PolarHBondContact O-N 3.15Å; A159-R161 PolarHBondContact O-N 2.68Å |
| 160 | D | 53.5 | Low | 56.6 | Low | 151 Ų | 151 | 119 Ų | 119 | 81% | 0.807 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 15.7 | 179.4 | -123.4 | -3.2 | 0 | 0 | 0 | 113.5 | T156 | T156-D160 PolarHBondContact O-N 2.94Å; T156-D160 VanDerWaalsContact O-N 3.11Å |
| 161 | R | 50.2 | Low | 56.1 | Low | 232 Ų | 232 | 112.8 Ų | 112.8 | 88% | 0.875 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 17.7 | -179.8 | -102.7 | -170.7 | -176.3 | -146.3 | 2.1 | 114.5 | A159 | A159-R161 PolarHBondContact O-N 2.68Š|
| 162 | I | 45.8 | Very low | 55.5 | Low | 216 Ų | 216 | 116.7 Ų | 116.7 | 100% | 1.108 | 65% | 0.653 | S | S | * | * | | | trans | -117.1 | 0 | 170.1 | -53.8 | 178.1 | 0 | 0 | 0 | 108.3 | | |