| 1 | M | 37.8 | Very low | 45 | Very low | 238 Ų | 238 | 132 Ų | 132 | 100% | 1.172 | 84% | 0.835 | S | S | * | * | | | | 0 | 133.7 | 0 | -88 | -173.9 | -177.1 | 0 | 0 | 108.4 | | |
| 2 | V | 43.5 | Very low | 45 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | | | trans | 64.3 | 101.3 | 162.4 | -171.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 3 | A | 38.9 | Very low | 45.3 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | | 70.5 | 113.8 | 60.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 4 | A | 44.4 | Very low | 45.1 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | | 170.6 | 104.5 | 130 | 0 | 0 | 0 | 0 | 0 | 109.4 | G6 | A4-G6 PolarHBondContact O-N 3.38Š|
| 5 | D | 44.7 | Very low | 45.2 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 94% | 0.941 | 82% | 0.816 | S | S | * | * | | | trans | -52.1 | 126.2 | 162.7 | -69.8 | -66.6 | 0 | 0 | 0 | 111.4 | | |
| 6 | G | 46.8 | Very low | 45.1 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -131.4 | 46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A4 | A4-G6 PolarHBondContact O-N 3.38Š|
| 7 | S | 44 | Very low | 45 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | | | trans | 25.7 | 94 | 146 | -170.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 8 | L | 45.8 | Very low | 45.2 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | | | | 62.4 | 169.4 | 129.4 | -60.4 | 171.2 | 0 | 0 | 0 | 118.8 | | |
| 9 | P | 55.9 | Low | 45.3 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | | | | -123.8 | 115.1 | -97.4 | 26.4 | -2.6 | 0 | 0 | 0 | 111.5 | Q11 | P9-Q11 VanDerWaalsContact C-N 3.26Å; P9-Q11 PolarHBondContact O-N 3.46Å |
| 10 | A | 50.2 | Low | 45.2 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | | | trans | -81.5 | 77.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 11 | Q | 42.5 | Very low | 45.2 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 80% | 0.8 | S | S | * | * | | | trans | 46.5 | 96.1 | 144 | -54.6 | -175.7 | 10.6 | 0 | 0 | 116.9 | P9 V13 | P9-Q11 VanDerWaalsContact C-N 3.26Å; P9-Q11 PolarHBondContact O-N 3.46Å; Q11-V13 VanDerWaalsContact C-N 3.27Å; Q11-V13 HydrophobicContact CB-CG2 3.82Å; Q11-V13 PolarHBondContact O-N 3.1Å |
| 12 | T | 46 | Very low | 45.8 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -35.2 | 91.6 | 130.2 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 13 | V | 48.1 | Very low | 46.2 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | trans | -116.8 | 71.2 | 159.5 | -168.7 | 0 | 0 | 0 | 0 | 108.2 | Q11 R15 | Q11-V13 VanDerWaalsContact C-N 3.27Å; Q11-V13 HydrophobicContact CB-CG2 3.82Å; Q11-V13 PolarHBondContact O-N 3.1Å; V13-R15 PolarHBondContact O-N 3.4Å |
| 14 | T | 43.3 | Very low | 46.8 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | | | trans | 25.1 | 99.4 | 133.6 | -39.7 | 0 | 0 | 0 | 0 | 116.2 | R16 | T14-R16 PolarHBondContact O-N 3.43Š|
| 15 | R | 45.5 | Very low | 47.2 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | | | trans | 3.8 | 81.9 | 134 | -64.4 | -179.4 | 173.5 | -174 | -2 | 115.1 | V13 | V13-R15 PolarHBondContact O-N 3.4Š|
| 16 | R | 43.5 | Very low | 47.7 | Very low | 230 Ų | 230 | 145.4 Ų | 145.4 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | | | trans | -125.9 | 82.1 | 149.6 | -80.4 | -176.3 | 176.2 | 163.2 | -1 | 105.9 | T14 V18 | T14-R16 PolarHBondContact O-N 3.43Å; R16-V18 PolarHBondContact O-N 3.25Å |
| 17 | R | 43.6 | Very low | 48.1 | Very low | 218 Ų | 218 | 148.7 Ų | 148.7 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | | | | 36.1 | 79.7 | 104.5 | -80.7 | -175.3 | 171.6 | 173.8 | -1.7 | 111.3 | L19 | R17-L19 HydrophobicContact CG-CD1 4.35Š|
| 18 | V | 48.7 | Very low | 48.6 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | -112.7 | 60.6 | 146.4 | -171.8 | 0 | 0 | 0 | 0 | 105.2 | R16 | R16-V18 PolarHBondContact O-N 3.25Š|
| 19 | L | 46.9 | Very low | 49.1 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | | | | -7.8 | 117.7 | 107.1 | -73.7 | 170.5 | 0 | 0 | 0 | 112.5 | R17 | R17-L19 HydrophobicContact CG-CD1 4.35Š|
| 20 | L | 44.2 | Very low | 49.1 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 65% | 0.654 | 74% | 0.742 | S | S | * | * | | | trans | 93.4 | 75 | 162.9 | -49.3 | 164.2 | 0 | 0 | 0 | 116.5 | | |
| 21 | Y | 45.5 | Very low | 49.5 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | | | | -125.1 | 65.7 | 119.1 | -79.4 | -78.2 | 0 | 0 | 0 | 109.1 | N23 | Y21-N23 PolarHBondContact O-N 3.27Š|
| 22 | R | 49.6 | Very low | 50.2 | Low | 224 Ų | 224 | 149.1 Ų | 149.1 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | -67.5 | 59.6 | 157.4 | -173.1 | -168.6 | -178.6 | -179.8 | 1.7 | 108.2 | | |
| 23 | N | 51.1 | Low | 50.8 | Low | 123 Ų | 123 | 147.4 Ų | 147.4 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | | | trans | -147.5 | 102.1 | 174.5 | -83.5 | -33.2 | 0 | 0 | 0 | 109.4 | Y21 | Y21-N23 PolarHBondContact O-N 3.27Š|
| 24 | Q | 52.5 | Low | 51.3 | Low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 97.9 | 107.9 | 150.4 | -56.5 | -177.2 | 59.1 | 0 | 0 | 119 | | |
| 25 | V | 53.7 | Low | 51.9 | Low | 118 Ų | 118 | 150.3 Ų | 150.3 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | | | trans | 82.9 | 104.4 | 161.9 | -160.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 26 | S | 54.1 | Low | 52.7 | Low | 74 Ų | 74 | 142 Ų | 142 | 52% | 0.517 | 74% | 0.739 | S | S | . | * | | | trans | -73.9 | 132.1 | 167 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | S28 Q29 | S26-S28 VanDerWaalsContact CB-OG 3.32Å; S26-S28 PolarHBondContact OG-OG 2.77Å; S26-S28 PolarHBondContact O-N 2.89Å; S26-S28 WeakPolarHBondContact CB-OG 3.35Å; S26-Q29 PolarHBondContact O-N 2.79Å |
| 27 | L | 55.4 | Low | 53.7 | Low | 146 Ų | 146 | 137.8 Ų | 137.8 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -55.5 | -6.6 | 173.5 | -74.6 | 161 | 0 | 0 | 0 | 114.8 | Q29 L30 | L27-Q29 PolarHBondContact O-N 3.47Å; L27-L30 VanDerWaalsContact O-N 3.13Å; L27-L30 PolarHBondContact O-N 3.04Å; L27-L30 WeakPolarHBondContact O-CB 3.32Å; L27-L30 HydrophobicContact CD2-CD1 3.4Å; L27-L30 HydrophobicContact CB-CD1 4.44Å; L27-L30 HydrophobicContact CD2-CG 4.44Å |
| 28 | S | 55.6 | Low | 54.9 | Low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -71 | -1 | 172.8 | 41.9 | 0 | 0 | 0 | 0 | 114.8 | S26 | S26-S28 VanDerWaalsContact CB-OG 3.32Å; S26-S28 PolarHBondContact OG-OG 2.77Å; S26-S28 PolarHBondContact O-N 2.89Å; S26-S28 WeakPolarHBondContact CB-OG 3.35Å |
| 29 | Q | 56.2 | Low | 56.2 | Low | 148 Ų | 148 | 140 Ų | 140 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -97.8 | 4.4 | 166.7 | -71.6 | -172.1 | -25.6 | 0 | 0 | 113.7 | S26 L27 D31 | S26-Q29 PolarHBondContact O-N 2.79Å; L27-Q29 PolarHBondContact O-N 3.47Å; Q29-D31 PolarHBondContact O-N 3.28Å |
| 30 | L | 55.8 | Low | 57.4 | Low | 119 Ų | 119 | 143.3 Ų | 143.3 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | | | trans | -71.4 | 78.7 | 163 | -77.3 | 163.5 | 0 | 0 | 0 | 107.2 | L27 T32 | L27-L30 VanDerWaalsContact O-N 3.13Å; L27-L30 PolarHBondContact O-N 3.04Å; L27-L30 WeakPolarHBondContact O-CB 3.32Å; L27-L30 HydrophobicContact CD2-CD1 3.4Å; L27-L30 HydrophobicContact CB-CD1 4.44Å; L27-L30 HydrophobicContact CD2-CG 4.44Å; L30-T32 VanDerWaalsContact C-N 3.26Å; L30-T32 PolarHBondContact O-N 2.87Å |
| 31 | D | 58 | Low | 58.7 | Low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | -56.5 | 96.9 | 166.4 | -84.1 | -36.5 | 0 | 0 | 0 | 107 | Q29 S33 | Q29-D31 PolarHBondContact O-N 3.28Å; D31-S33 PolarHBondContact O-N 2.81Å |
| 32 | T | 58 | Low | 59.8 | Low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -76.5 | 48.9 | 172.6 | 38.1 | 0 | 0 | 0 | 0 | 109.8 | L30 A34 | L30-T32 VanDerWaalsContact C-N 3.26Å; L30-T32 PolarHBondContact O-N 2.87Å; T32-A34 PolarHBondContact O-N 2.89Å |
| 33 | S | 57.2 | Low | 60.6 | Low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | -74.6 | 51.8 | 167.4 | 72.2 | 0 | 0 | 0 | 0 | 110 | D31 E35 | D31-S33 PolarHBondContact O-N 2.81Å; S33-E35 PolarHBondContact O-N 2.84Å; S33-E35 VanDerWaalsContact O-N 3.13Å |
| 34 | A | 59.4 | Low | 61 | Low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | | | trans | -80.1 | 57.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | T32 G36 | T32-A34 PolarHBondContact O-N 2.89Å; A34-G36 PolarHBondContact O-N 3.13Å; A34-G36 VanDerWaalsContact C-N 3.3Å |
| 35 | E | 56.5 | Low | 61.7 | Low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | trans | -64.6 | 103.4 | 161.6 | -75.1 | -168.6 | 167.2 | 0 | 0 | 105.7 | S33 N37 | S33-E35 PolarHBondContact O-N 2.84Å; S33-E35 VanDerWaalsContact O-N 3.13Å; E35-N37 PolarHBondContact O-N 2.93Å |
| 36 | G | 61.7 | Low | 62.1 | Low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | | | trans | -54.5 | 97.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A34 E38 | A34-G36 PolarHBondContact O-N 3.13Å; A34-G36 VanDerWaalsContact C-N 3.3Å; G36-E38 PolarHBondContact O-N 2.8Å |
| 37 | N | 64.9 | Low | 62.5 | Low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | -75.5 | 68.8 | 163.2 | -168.6 | 22.9 | 0 | 0 | 0 | 108.1 | E35 R39 | E35-N37 PolarHBondContact O-N 2.93Å; N37-R39 PolarHBondContact O-N 2.86Å |
| 38 | E | 68.9 | Low | 62.5 | Low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -66.6 | 98.7 | 171.2 | -66.6 | -172.6 | 166.2 | 0 | 0 | 107.7 | G36 K40 | G36-E38 PolarHBondContact O-N 2.8Å; E38-K40 PolarHBondContact O-N 2.76Å; E38-K40 VanDerWaalsContact O-N 3.11Å |
| 39 | R | 74.7 | Confident | 62.6 | Low | 212 Ų | 212 | 142.2 Ų | 142.2 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | trans | -64.1 | 112.6 | 174.3 | -71.2 | -176.7 | -78.6 | -174.2 | -4.4 | 108.2 | N37 V41 | N37-R39 PolarHBondContact O-N 2.86Å; R39-V41 PolarHBondContact O-N 2.99Å |
| 40 | K | 71.6 | Confident | 62.6 | Low | 193 Ų | 193 | 144.3 Ų | 144.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | -60.1 | 120.3 | 167.4 | -66.7 | -174.2 | 179.7 | -174.7 | 0 | 107.9 | E38 | E38-K40 PolarHBondContact O-N 2.76Å; E38-K40 VanDerWaalsContact O-N 3.11Å |
| 41 | V | 72.7 | Confident | 62.6 | Low | 105 Ų | 105 | 140.8 Ų | 140.8 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -98.5 | 109.7 | 171.1 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | R39 | R39-V41 PolarHBondContact O-N 2.99Š|
| 42 | D | 68.9 | Low | 62.7 | Low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | -73.5 | 124.9 | 173.1 | -68.5 | -45.1 | 0 | 0 | 0 | 109.2 | | |
| 43 | H | 66.8 | Low | 62.7 | Low | 168 Ų | 168 | 145.1 Ų | 145.1 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | | | trans | -108.7 | 55 | -179.3 | -87.7 | -56.5 | 0 | 0 | 0 | 110.9 | | |
| 44 | D | 59.5 | Low | 62.5 | Low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -102.7 | 57.4 | 177 | -78.6 | -23.3 | 0 | 0 | 0 | 112.3 | | |
| 45 | E | 66.3 | Low | 62.3 | Low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | -141.4 | 83.3 | 157.4 | -67.4 | -168.1 | -172.5 | 0 | 0 | 110.1 | S47 | E45-S47 PolarHBondContact O-N 2.91Š|
| 46 | T | 63 | Low | 62.5 | Low | 141 Ų | 141 | 141.2 Ų | 141.2 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | | | trans | -66.2 | 71.2 | 154.5 | 38.3 | 0 | 0 | 0 | 0 | 108.9 | T48 | T46-T48 VanDerWaalsContact C-N 3.32Å; T46-T48 PolarHBondContact O-N 2.96Å |
| 47 | S | 60.8 | Low | 62.4 | Low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | | | trans | -70.1 | 96 | 165.2 | -173.7 | 0 | 0 | 0 | 0 | 106.7 | E45 Y49 | E45-S47 PolarHBondContact O-N 2.91Å; S47-Y49 PolarHBondContact O-N 2.84Å |
| 48 | T | 55.4 | Low | 62.5 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -67 | 68.2 | 164 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | T46 K50 | T46-T48 VanDerWaalsContact C-N 3.32Å; T46-T48 PolarHBondContact O-N 2.96Å; T48-K50 PolarHBondContact O-N 2.92Å; T48-K50 VanDerWaalsContact C-N 3.34Å |
| 49 | Y | 58.4 | Low | 62.4 | Low | 170 Ų | 170 | 145.6 Ų | 145.6 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | | | trans | -68.2 | 103.3 | 158.9 | -167.8 | -100.1 | 0 | 0 | 0 | 105.3 | S47 A51 | S47-Y49 PolarHBondContact O-N 2.84Å; Y49-A51 PolarHBondContact O-N 3.13Å; Y49-A51 VanDerWaalsContact C-N 3.25Å |
| 50 | K | 56.6 | Low | 62 | Low | 191 Ų | 191 | 139.7 Ų | 139.7 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | trans | -55.6 | 95.8 | 171.7 | -66.6 | 180 | 179.9 | 178.7 | 0 | 106.9 | T48 R52 | T48-K50 PolarHBondContact O-N 2.92Å; T48-K50 VanDerWaalsContact C-N 3.34Å; K50-R52 PolarHBondContact O-N 3.17Å |
| 51 | A | 56.1 | Low | 61.6 | Low | 45 Ų | 45 | 139.2 Ų | 139.2 | 37% | 0.372 | 75% | 0.754 | S | S | . | * | | | trans | -56.7 | 116.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | Y49 V53 | Y49-A51 PolarHBondContact O-N 3.13Å; Y49-A51 VanDerWaalsContact C-N 3.25Å; A51-V53 PolarHBondContact O-N 3.08Å |
| 52 | R | 58.7 | Low | 61.5 | Low | 205 Ų | 205 | 140.1 Ų | 140.1 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | | | trans | -53.3 | 141.9 | 175.3 | -72 | -177.6 | 178.7 | -176.7 | -0.4 | 108.1 | K50 G54 Q55 | K50-R52 PolarHBondContact O-N 3.17Å; R52-G54 PolarHBondContact O-N 3.11Å; R52-Q55 PolarHBondContact O-N 3.22Å |
| 53 | V | 58.3 | Low | 61.6 | Low | 162 Ų | 162 | 138.6 Ų | 138.6 | 98% | 0.982 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | 114.3 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | A51 | A51-V53 PolarHBondContact O-N 3.08Š|
| 54 | G | 54.3 | Low | 61.7 | Low | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.6 | -14.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R52 A56 | R52-G54 PolarHBondContact O-N 3.11Å; G54-A56 PolarHBondContact O-N 3.42Å |
| 55 | Q | 53.9 | Low | 61.9 | Low | 130 Ų | 130 | 137.5 Ų | 137.5 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | | | trans | -49.3 | 81.6 | 161.6 | 49.2 | 133.3 | -56.4 | 0 | 0 | 114.9 | R52 I57 | R52-Q55 PolarHBondContact O-N 3.22Å; Q55-I57 VanDerWaalsContact C-N 3.29Å; Q55-I57 PolarHBondContact O-N 2.98Å |
| 56 | A | 61.4 | Low | 61.9 | Low | 89 Ų | 89 | 136.3 Ų | 136.3 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -64.2 | 94.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | G54 C58 | G54-A56 PolarHBondContact O-N 3.42Å; A56-C58 PolarHBondContact O-N 3.24Å |
| 57 | I | 59.5 | Low | 62 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | | | trans | -67.5 | 103.2 | 177.2 | -59.4 | 171.3 | 0 | 0 | 0 | 106.7 | Q55 R59 | Q55-I57 VanDerWaalsContact C-N 3.29Å; Q55-I57 PolarHBondContact O-N 2.98Å; I57-R59 HydrophobicContact CG2-CG 4.44Å; I57-R59 PolarHBondContact O-N 3.07Å |
| 58 | C | 67 | Low | 62.2 | Low | 127 Ų | 127 | 138.7 Ų | 138.7 | 86% | 0.858 | 76% | 0.76 | S | S | * | * | | | trans | -61.2 | 100.3 | 168.2 | -78.4 | 0 | 0 | 0 | 0 | 108.3 | A56 A60 | A56-C58 PolarHBondContact O-N 3.24Å; C58-A60 PolarHBondContact O-N 2.8Å |
| 59 | R | 66.4 | Low | 62.5 | Low | 219 Ų | 219 | 141.1 Ų | 141.1 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | -76.6 | 117.3 | 169.3 | -68.5 | -176.5 | 176.9 | 177.5 | -0.9 | 107.2 | I57 M61 | I57-R59 HydrophobicContact CG2-CG 4.44Å; I57-R59 PolarHBondContact O-N 3.07Å; R59-M61 PolarHBondContact O-N 3.01Å; R59-M61 VanDerWaalsContact O-N 3.1Å |
| 60 | A | 66.1 | Low | 62.3 | Low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -57.4 | 117.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | C58 T62 | C58-A60 PolarHBondContact O-N 2.8Å; A60-T62 PolarHBondContact O-N 3.35Å |
| 61 | M | 64.4 | Low | 62.5 | Low | 183 Ų | 183 | 141 Ų | 141 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | | | trans | -70.6 | 98.4 | 174 | -69.1 | -169.2 | -69.5 | 0 | 0 | 107.5 | R59 T63 | R59-M61 PolarHBondContact O-N 3.01Å; R59-M61 VanDerWaalsContact O-N 3.1Å; M61-T63 PolarHBondContact O-N 2.99Å |
| 62 | T | 68.8 | Low | 62.5 | Low | 124 Ų | 124 | 144.3 Ų | 144.3 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | trans | -78.3 | 111.5 | 168 | 52.7 | 0 | 0 | 0 | 0 | 107.3 | A60 P64 | A60-T62 PolarHBondContact O-N 3.35Å; T62-P64 WeakPolarHBondContact O-CD 3.46Å |
| 63 | T | 72.1 | Confident | 62.3 | Low | 111 Ų | 111 | 138 Ų | 138 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 121.5 | 172.5 | -44.9 | 0 | 0 | 0 | 0 | 107.6 | M61 H65 | M61-T63 PolarHBondContact O-N 2.99Å; T63-H65 PolarHBondContact O-N 2.76Å; T63-H65 VanDerWaalsContact O-N 3.07Å |
| 64 | P | 68.7 | Low | 62 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.5 | 176.2 | 24.6 | -31.3 | 0 | 0 | 0 | 108.6 | T62 L66 | T62-P64 WeakPolarHBondContact O-CD 3.46Å; P64-L66 PolarHBondContact O-N 2.92Å |
| 65 | H | 62.7 | Low | 62.3 | Low | 183 Ų | 183 | 140.8 Ų | 140.8 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70 | 116 | 171.6 | -68.1 | -78.2 | 0 | 0 | 0 | 108.2 | T63 | T63-H65 PolarHBondContact O-N 2.76Å; T63-H65 VanDerWaalsContact O-N 3.07Å |
| 66 | L | 66.9 | Low | 62.5 | Low | 155 Ų | 155 | 138.7 Ų | 138.7 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138.6 | 169.3 | -80.9 | 143.4 | 0 | 0 | 0 | 109.1 | P64 L68 | P64-L66 PolarHBondContact O-N 2.92Å; L66-L68 PolarHBondContact O-N 3.41Å; L66-L68 VanDerWaalsContact O-N 3.17Å |
| 67 | P | 65.8 | Low | 62.2 | Low | 115 Ų | 115 | 139.2 Ų | 139.2 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 123.3 | 179.6 | 23.2 | -31.6 | 0 | 0 | 0 | 109.5 | Q69 | P67-Q69 PolarHBondContact O-N 3.1Å; P67-Q69 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 63.9 | Low | 61.9 | Low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -57.7 | 116 | 172.9 | -70.2 | 166.5 | 0 | 0 | 0 | 107.6 | L66 H70 | L66-L68 PolarHBondContact O-N 3.41Å; L66-L68 VanDerWaalsContact O-N 3.17Å; L68-H70 PolarHBondContact O-N 3.04Å |
| 69 | Q | 62.5 | Low | 61.2 | Low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -64.5 | 86.4 | 171.5 | -73.2 | -173.7 | -20 | 0 | 0 | 108.3 | P67 K71 | P67-Q69 PolarHBondContact O-N 3.1Å; P67-Q69 VanDerWaalsContact O-N 3.08Å; Q69-K71 PolarHBondContact O-N 2.74Å |
| 70 | H | 54.8 | Low | 60.5 | Low | 165 Ų | 165 | 134.7 Ų | 134.7 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | trans | -67.8 | 103.5 | 168.8 | -149.3 | -107.1 | 0 | 0 | 0 | 105.9 | L68 S72 | L68-H70 PolarHBondContact O-N 3.04Å; H70-S72 PolarHBondContact O-N 3.44Å |
| 71 | K | 60.4 | Low | 59.5 | Low | 192 Ų | 192 | 136.2 Ų | 136.2 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | | | trans | -64.2 | 90.7 | 163.7 | -73.3 | -168.4 | 179.3 | -174.9 | 0 | 105.8 | Q69 G73 | Q69-K71 PolarHBondContact O-N 2.74Å; K71-G73 PolarHBondContact O-N 2.88Å |
| 72 | S | 55.5 | Low | 58.2 | Low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -62.6 | 85.8 | 172.1 | -160.2 | 0 | 0 | 0 | 0 | 107.9 | H70 | H70-S72 PolarHBondContact O-N 3.44Š|
| 73 | G | 54.6 | Low | 57.7 | Low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | -124.3 | 5.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K71 | K71-G73 PolarHBondContact O-N 2.88Š|
| 74 | Y | 52.5 | Low | 57 | Low | 181 Ų | 181 | 142.4 Ų | 142.4 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | | | trans | -103.4 | 90.2 | 176.2 | -150.4 | -92.7 | 0 | 0 | 0 | 108.9 | P76 | Y74-P76 WeakPolarHBondContact O-CD 3.4Š|
| 75 | D | 60.1 | Low | 56.3 | Low | 113 Ų | 113 | 143.9 Ų | 143.9 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | | | trans | -84.6 | 107.8 | 167.6 | -147.4 | -20 | 0 | 0 | 0 | 107 | V77 | D75-V77 PolarHBondContact O-N 3.01Å; D75-V77 VanDerWaalsContact O-N 3.1Å |
| 76 | P | 57.7 | Low | 55.9 | Low | 85 Ų | 85 | 141.6 Ų | 141.6 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -69.5 | -8.3 | -172.1 | 28.3 | -35.2 | 0 | 0 | 0 | 113.3 | Y74 T78 A79 | Y74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-T78 VanDerWaalsContact C-N 3.31Å; P76-T78 PolarHBondContact O-N 3.01Å; P76-A79 PolarHBondContact O-N 2.99Å |
| 77 | V | 55.9 | Low | 55.3 | Low | 100 Ų | 100 | 140.8 Ų | 140.8 | 61% | 0.606 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -66.2 | -34.1 | -178.9 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | D75 A79 | D75-V77 PolarHBondContact O-N 3.01Å; D75-V77 VanDerWaalsContact O-N 3.1Å; V77-A79 VanDerWaalsContact C-N 3.3Å; V77-A79 PolarHBondContact O-N 3.07Å |
| 78 | T | 53.7 | Low | 54.6 | Low | 116 Ų | 116 | 142.5 Ų | 142.5 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -77.3 | -13.5 | -177.6 | -25.1 | 0 | 0 | 0 | 0 | 113.3 | P76 K80 | P76-T78 VanDerWaalsContact C-N 3.31Å; P76-T78 PolarHBondContact O-N 3.01Å; T78-K80 VanDerWaalsContact C-N 3.31Å; T78-K80 PolarHBondContact O-N 2.91Å |
| 79 | A | 52.8 | Low | 53.9 | Low | 72 Ų | 72 | 140.7 Ų | 140.7 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -80.8 | -6.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P76 V77 | P76-A79 PolarHBondContact O-N 2.99Å; V77-A79 VanDerWaalsContact C-N 3.3Å; V77-A79 PolarHBondContact O-N 3.07Å |
| 80 | K | 50.9 | Low | 53.2 | Low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -113.7 | 5.7 | -176.9 | -73.1 | -169 | 178.1 | -177.7 | 0 | 115.4 | T78 | T78-K80 VanDerWaalsContact C-N 3.31Å; T78-K80 PolarHBondContact O-N 2.91Å |
| 81 | I | 44 | Very low | 53.1 | Low | 120 Ų | 120 | 135.2 Ų | 135.2 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | trans | -117.7 | 99.6 | -177.6 | -52.7 | 178.3 | 0 | 0 | 0 | 110.1 | | |
| 82 | Q | 39.1 | Very low | 52.4 | Low | 262 Ų | 262 | 130 Ų | 130 | 100% | 1.224 | 73% | 0.729 | S | S | * | * | | | trans | 74.2 | 0 | 152.9 | -64.1 | -177.8 | -9.7 | 0 | 0 | 119.5 | | |