| 1 | M | 64.8 | Low | 83.3 | Confident | 233 Ų | 233 | 176 Ų | 176 | 100% | 1.148 | 84% | 0.837 | S | S | * | * | | | | 0 | 87.5 | 0 | -86.6 | -57.7 | -150.5 | 0 | 0 | 104.9 | | |
| 2 | D | 84.1 | Confident | 83.2 | Confident | 157 Ų | 157 | 171.9 Ų | 171.9 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 130.6 | -159 | -48 | -32.5 | 0 | 0 | 0 | 109.1 | | |
| 3 | Q | 85.9 | Confident | 82.4 | Confident | 168 Ų | 168 | 167.5 Ų | 167.5 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 129.4 | -170.8 | -167.4 | 175 | 13.7 | 0 | 0 | 110.3 | | |
| 4 | P | 87.2 | Confident | 81.7 | Confident | 104 Ų | 104 | 164.4 Ų | 164.4 | 68% | 0.675 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 136.5 | -178.9 | 24.8 | -33.8 | 0 | 0 | 0 | 111.1 | I6 | P4-I6 PolarHBondContact O-N 3.48Š|
| 5 | P | 87.1 | Confident | 80.8 | Confident | 117 Ų | 117 | 161.8 Ų | 161.8 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | | | trans | -68.9 | 115.4 | -171 | 25.4 | -34.2 | 0 | 0 | 0 | 112.4 | R7 | P5-R7 PolarHBondContact O-N 3.22Š|
| 6 | I | 84.9 | Confident | 79.8 | Confident | 144 Ų | 144 | 158.6 Ų | 158.6 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | | | trans | -68.4 | 115.2 | 178.3 | -57.4 | 176.3 | 0 | 0 | 0 | 109.9 | P4 I8 | P4-I6 PolarHBondContact O-N 3.48Å; I6-I8 HydrophobicContact CG2-CG1 4.46Å |
| 7 | R | 88 | Confident | 78.5 | Confident | 232 Ų | 232 | 154.4 Ų | 154.4 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -98.6 | 95.7 | 175.7 | -65.4 | 178.5 | 68.7 | 179.6 | 1.9 | 110.3 | P5 L9 | P5-R7 PolarHBondContact O-N 3.22Å; R7-L9 PolarHBondContact O-N 3.25Å |
| 8 | I | 84.5 | Confident | 77.4 | Confident | 150 Ų | 150 | 154.7 Ų | 154.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.3 | 172.9 | -60 | 176.1 | 0 | 0 | 0 | 108.9 | I6 R10 | I6-I8 HydrophobicContact CG2-CG1 4.46Å; I8-R10 PolarHBondContact O-N 3.19Å |
| 9 | L | 85.4 | Confident | 76.5 | Confident | 158 Ų | 158 | 150.8 Ų | 150.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 124.5 | 173.2 | -145.7 | 75.8 | 0 | 0 | 0 | 108.7 | R7 R11 | R7-L9 PolarHBondContact O-N 3.25Å; L9-R11 PolarHBondContact O-N 3.2Å |
| 10 | R | 82.8 | Confident | 75.4 | Confident | 242 Ų | 242 | 149.3 Ų | 149.3 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.9 | 175.6 | -72.1 | -176.1 | 179.1 | 166 | -0.1 | 108.6 | I8 | I8-R10 PolarHBondContact O-N 3.19Š|
| 11 | R | 82 | Confident | 74.5 | Confident | 231 Ų | 231 | 148.4 Ų | 148.4 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 142.1 | 169.1 | -65.1 | -179.2 | -179.2 | 173.1 | 0.3 | 108.4 | L9 C13 | L9-R11 PolarHBondContact O-N 3.2Å; R11-C13 PolarHBondContact O-N 3.37Å |
| 12 | P | 81.9 | Confident | 74 | Confident | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124.4 | 167.1 | -22.1 | 33.1 | 0 | 0 | 0 | 109.1 | | |
| 13 | C | 72.4 | Confident | 72.7 | Confident | 114 Ų | 114 | 141 Ų | 141 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137 | 162.6 | -65.3 | 0 | 0 | 0 | 0 | 107.4 | R11 V15 | R11-C13 PolarHBondContact O-N 3.37Å; C13-V15 PolarHBondContact O-N 2.94Å |
| 14 | P | 72.4 | Confident | 71.1 | Confident | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -63.2 | 112.5 | 174.4 | 26.4 | -32.6 | 0 | 0 | 0 | 108.5 | | |
| 15 | V | 69.2 | Low | 69.7 | Low | 125 Ų | 125 | 146.5 Ų | 146.5 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | | | trans | -59.8 | 133.1 | 159.1 | -104.1 | 0 | 0 | 0 | 0 | 107.2 | C13 S17 | C13-V15 PolarHBondContact O-N 2.94Å; V15-S17 PolarHBondContact O-N 3.02Å |
| 16 | P | 63.4 | Low | 68.4 | Low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | -62.8 | 106.5 | 171.5 | 26.8 | -32.2 | 0 | 0 | 0 | 107.6 | | |
| 17 | S | 58 | Low | 67.1 | Low | 87 Ų | 87 | 144.5 Ų | 144.5 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | -90.7 | 103.7 | 175.5 | 64.5 | 0 | 0 | 0 | 0 | 107.9 | V15 V19 | V15-S17 PolarHBondContact O-N 3.02Å; S17-V19 PolarHBondContact O-N 3.19Å |
| 18 | D | 58.3 | Low | 65.9 | Low | 160 Ų | 160 | 138.3 Ų | 138.3 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | | | trans | -68.3 | 21.6 | 179.7 | -63 | -48.9 | 0 | 0 | 0 | 114.2 | | |
| 19 | V | 60.9 | Low | 65.3 | Low | 80 Ų | 80 | 137 Ų | 137 | 49% | 0.485 | 75% | 0.754 | S | S | . | * | S | Bend | trans | -81.3 | 124.1 | 165 | -71.4 | 0 | 0 | 0 | 0 | 108.6 | S17 N21 | S17-V19 PolarHBondContact O-N 3.19Å; V19-N21 HydrophobicContact CG2-CB 4.28Å; V19-N21 WeakPolarHBondContact CG2-ND2 3.37Å; V19-N21 PolarHBondContact O-N 3.31Å |
| 20 | P | 54.3 | Low | 64.9 | Low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | trans | -74.8 | 57.4 | 170.4 | 33.1 | -35.7 | 0 | 0 | 0 | 110.2 | T22 | P20-T22 PolarHBondContact O-N 3.24Š|
| 21 | N | 56.1 | Low | 65 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | trans | -71.5 | 70.5 | 166 | -84.2 | -29.7 | 0 | 0 | 0 | 108.5 | V19 P23 | V19-N21 HydrophobicContact CG2-CB 4.28Å; V19-N21 WeakPolarHBondContact CG2-ND2 3.37Å; V19-N21 PolarHBondContact O-N 3.31Å; N21-P23 WeakPolarHBondContact O-CD 3.15Å; N21-P23 VanDerWaalsContact O-N 3.12Å |
| 22 | T | 54.4 | Low | 65.3 | Low | 117 Ų | 117 | 121.4 Ų | 121.4 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | | | trans | -54.3 | 113.3 | 147.3 | 51.5 | 0 | 0 | 0 | 0 | 105.7 | P20 Q24 | P20-T22 PolarHBondContact O-N 3.24Å; T22-Q24 PolarHBondContact O-N 3.37Å |
| 23 | P | 57.1 | Low | 65.7 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | | | trans | -61.1 | 113.6 | 167 | 26.9 | -31.1 | 0 | 0 | 0 | 104.8 | N21 R25 | N21-P23 WeakPolarHBondContact O-CD 3.15Å; N21-P23 VanDerWaalsContact O-N 3.12Å; P23-R25 PolarHBondContact O-N 3.48Å |
| 24 | Q | 53.4 | Low | 66.6 | Low | 187 Ų | 187 | 120.5 Ų | 120.5 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | | | trans | -66.7 | 84.5 | 179.2 | -167.7 | -179.6 | 21.5 | 0 | 0 | 106.3 | T22 P26 | T22-Q24 PolarHBondContact O-N 3.37Å; Q24-P26 WeakPolarHBondContact O-CD 3.33Å |
| 25 | R | 58.3 | Low | 67.5 | Low | 202 Ų | 202 | 119 Ų | 119 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 118.7 | -170.7 | -173.1 | -179.3 | -167.1 | 173.7 | 5.2 | 105.7 | P23 P27 | P23-R25 PolarHBondContact O-N 3.48Å; R25-P27 VanDerWaalsContact O-N 3.16Å |
| 26 | P | 59.5 | Low | 68.7 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 68% | 0.682 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 129.8 | -178.9 | -29.6 | 35.5 | 0 | 0 | 0 | 108 | Q24 V28 | Q24-P26 WeakPolarHBondContact O-CD 3.33Å; P26-V28 PolarHBondContact O-N 2.75Å; P26-V28 VanDerWaalsContact O-N 3.15Å |
| 27 | P | 56.4 | Low | 70.2 | Confident | 114 Ų | 114 | 121.1 Ų | 121.1 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 129 | -171.8 | 20 | -32.5 | 0 | 0 | 0 | 107.8 | R25 V29 | R25-P27 VanDerWaalsContact O-N 3.16Å; P27-V29 VanDerWaalsContact C-N 3.26Å; P27-V29 WeakPolarHBondContact O-CG2 3.26Å; P27-V29 PolarHBondContact O-N 2.99Å |
| 28 | V | 64.3 | Low | 71.8 | Confident | 101 Ų | 101 | 119.5 Ų | 119.5 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | | | trans | -68.5 | 90.8 | -168 | -179.9 | 0 | 0 | 0 | 0 | 108 | P26 T30 | P26-V28 PolarHBondContact O-N 2.75Å; P26-V28 VanDerWaalsContact O-N 3.15Å; V28-T30 VanDerWaalsContact C-N 3.29Å; V28-T30 HydrophobicContact CG1-CG2 4.4Å; V28-T30 PolarHBondContact O-N 3.08Å |
| 29 | V | 70.6 | Confident | 73.5 | Confident | 124 Ų | 124 | 114.7 Ų | 114.7 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | | | trans | -65.1 | 96.5 | 174.1 | -178.3 | 0 | 0 | 0 | 0 | 106 | P27 K31 | P27-V29 VanDerWaalsContact C-N 3.26Å; P27-V29 WeakPolarHBondContact O-CG2 3.26Å; P27-V29 PolarHBondContact O-N 2.99Å; V29-K31 PolarHBondContact O-N 3.04Å |
| 30 | T | 77 | Confident | 75.1 | Confident | 120 Ų | 120 | 119 Ų | 119 | 74% | 0.736 | 63% | 0.628 | S | S | * | * | | | trans | -67.8 | 86.6 | -179.7 | 46.9 | 0 | 0 | 0 | 0 | 108.7 | V28 T32 | V28-T30 VanDerWaalsContact C-N 3.29Å; V28-T30 HydrophobicContact CG1-CG2 4.4Å; V28-T30 PolarHBondContact O-N 3.08Å; T30-T32 PolarHBondContact O-N 3.45Å |
| 31 | K | 85.8 | Confident | 76.9 | Confident | 102 Ų | 102 | 115.8 Ų | 115.8 | 44% | 0.443 | 61% | 0.611 | S | S | . | * | | | trans | -48.7 | 126.5 | 168.3 | -71.3 | -175.6 | 171.1 | -171.5 | 0 | 108.5 | V29 Q35 R36 D39 | V29-K31 PolarHBondContact O-N 3.04Å; K31-Q35 HydrophobicContact CB-CB 4.29Å; K31-Q35 HydrophobicContact CB-CG 4.15Å; K31-Q35 HydrophobicContact CD-CG 4.02Å; K31-Q35 HydrophobicContact CG-CG 4.05Å; K31-R36 PolarHBondContact O-NH2 3.41Å; K31-D39 WeakPolarHBondContact CD-OD2 3.47Å; K31-D39 IonicContact NZ-OD1 3.91Å; K31-D39 IonicContact NZ-OD2 2.6Å; K31-D39 PolarHBondContact NZ-OD2 3.22Å |
| 32 | T | 87.8 | Confident | 78.6 | Confident | 81 Ų | 81 | 112 Ų | 112 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | | | trans | -58.3 | 167.5 | 174.6 | 76 | 0 | 0 | 0 | 0 | 109.9 | T30 E34 Q35 R36 | T30-T32 PolarHBondContact O-N 3.45Å; T32-E34 VanDerWaalsContact C-N 3.29Å; T32-E34 WeakPolarHBondContact CB-OE2 3.35Å; T32-E34 PolarHBondContact O-N 2.69Å; T32-E34 PolarHBondContact OG1-OE2 2.81Å; T32-Q35 PolarHBondContact O-N 2.7Å; T32-Q35 PolarHBondContact OG1-N 2.76Å; T32-R36 PolarHBondContact O-N 2.83Å |
| 33 | L | 90.7 | Very high | 80.5 | Confident | 101 Ų | 101 | 108.4 Ų | 108.4 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.3 | -43.5 | -177.5 | -176.5 | 142.2 | 0 | 0 | 0 | 110.4 | Q35 R36 E37 | L33-Q35 PolarHBondContact O-N 3.24Å; L33-R36 WeakPolarHBondContact O-CB 3.46Å; L33-R36 PolarHBondContact O-N 3.28Å; L33-R36 VanDerWaalsContact O-N 3.09Å; L33-E37 HydrophobicContact CD2-CG 4.32Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.47Å; L33-E37 WeakPolarHBondContact O-CG 3.12Å; L33-E37 PolarHBondContact O-N 3.43Å |
| 34 | E | 90 | Very high | 82.2 | Confident | 121 Ų | 121 | 110 Ų | 110 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.1 | -43.5 | -179.3 | -46.6 | 71.9 | -155.4 | 0 | 0 | 111.4 | T32 R36 E37 A38 | T32-E34 VanDerWaalsContact C-N 3.29Å; T32-E34 WeakPolarHBondContact CB-OE2 3.35Å; T32-E34 PolarHBondContact O-N 2.69Å; T32-E34 PolarHBondContact OG1-OE2 2.81Å; E34-R36 VanDerWaalsContact C-N 3.27Å; E34-R36 PolarHBondContact O-N 2.95Å; E34-E37 PolarHBondContact O-N 2.83Å; E34-A38 WeakPolarHBondContact O-CB 3.4Å; E34-A38 PolarHBondContact O-N 2.78Å |
| 35 | Q | 92.9 | Very high | 83.9 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 44% | 0.435 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -34.7 | 175.5 | -178.8 | 63.1 | 66.4 | 0 | 0 | 111.8 | K31 T32 L33 D39 | K31-Q35 HydrophobicContact CB-CB 4.29Å; K31-Q35 HydrophobicContact CB-CG 4.15Å; K31-Q35 HydrophobicContact CD-CG 4.02Å; K31-Q35 HydrophobicContact CG-CG 4.05Å; T32-Q35 PolarHBondContact O-N 2.7Å; T32-Q35 PolarHBondContact OG1-N 2.76Å; L33-Q35 PolarHBondContact O-N 3.24Å; Q35-D39 PolarHBondContact NE2-OD1 3.4Å; Q35-D39 WeakPolarHBondContact O-CB 3.37Å; Q35-D39 PolarHBondContact O-N 2.9Å |
| 36 | R | 93.3 | Very high | 85.3 | Confident | 160 Ų | 160 | 105.9 Ų | 105.9 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.2 | -36.9 | 179.4 | -161.1 | -177.7 | -51.6 | 162.7 | 11 | 111.8 | K31 T32 L33 E34 Y40 | K31-R36 PolarHBondContact O-NH2 3.41Å; T32-R36 PolarHBondContact O-N 2.83Å; L33-R36 WeakPolarHBondContact O-CB 3.46Å; L33-R36 PolarHBondContact O-N 3.28Å; L33-R36 VanDerWaalsContact O-N 3.09Å; E34-R36 VanDerWaalsContact C-N 3.27Å; E34-R36 PolarHBondContact O-N 2.95Å; R36-Y40 WeakPolarHBondContact O-CB 3.41Å; R36-Y40 PolarHBondContact O-N 3.03Å |
| 37 | E | 94.5 | Very high | 86.6 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.1 | -41.8 | 172.8 | -70.2 | -178.9 | 160.3 | 0 | 0 | 111.7 | L33 E34 Y40 A41 | L33-E37 HydrophobicContact CD2-CG 4.32Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.47Å; L33-E37 WeakPolarHBondContact O-CG 3.12Å; L33-E37 PolarHBondContact O-N 3.43Å; E34-E37 PolarHBondContact O-N 2.83Å; E37-Y40 PolarHBondContact O-N 2.96Å; E37-A41 WeakPolarHBondContact O-CB 3.34Å; E37-A41 PolarHBondContact O-N 2.87Å |
| 38 | A | 92.2 | Very high | 88.2 | Confident | 53 Ų | 53 | 108.1 Ų | 108.1 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E34 Y40 A41 A42 | E34-A38 WeakPolarHBondContact O-CB 3.4Å; E34-A38 PolarHBondContact O-N 2.78Å; A38-Y40 VanDerWaalsContact C-N 3.32Å; A38-Y40 PolarHBondContact O-N 3Å; A38-A41 PolarHBondContact O-N 3.49Å; A38-A42 WeakPolarHBondContact O-CB 3.41Å; A38-A42 PolarHBondContact O-N 3.18Å |
| 39 | D | 93.5 | Very high | 88.9 | Confident | 59 Ų | 59 | 106.4 Ų | 106.4 | 32% | 0.316 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 174.2 | -73.1 | -4.4 | 0 | 0 | 0 | 111.5 | K31 Q35 A42 A43 | K31-D39 WeakPolarHBondContact CD-OD2 3.47Å; K31-D39 IonicContact NZ-OD1 3.91Å; K31-D39 IonicContact NZ-OD2 2.6Å; K31-D39 PolarHBondContact NZ-OD2 3.22Å; Q35-D39 PolarHBondContact NE2-OD1 3.4Å; Q35-D39 WeakPolarHBondContact O-CB 3.37Å; Q35-D39 PolarHBondContact O-N 2.9Å; D39-A42 PolarHBondContact O-N 2.83Å; D39-A43 WeakPolarHBondContact O-CB 3.47Å; D39-A43 PolarHBondContact O-N 3.08Å |
| 40 | Y | 94.5 | Very high | 88.4 | Confident | 171 Ų | 171 | 104.3 Ų | 104.3 | 67% | 0.671 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | 179.6 | -179.3 | -107.1 | 0 | 0 | 0 | 112.4 | R36 E37 A38 A43 R44 | R36-Y40 WeakPolarHBondContact O-CB 3.41Å; R36-Y40 PolarHBondContact O-N 3.03Å; E37-Y40 PolarHBondContact O-N 2.96Å; A38-Y40 VanDerWaalsContact C-N 3.32Å; A38-Y40 PolarHBondContact O-N 3Å; Y40-A43 PolarHBondContact O-N 2.91Å; Y40-R44 WeakPolarHBondContact O-CB 3.36Å; Y40-R44 PolarHBondContact O-N 3.15Å |
| 41 | A | 93.2 | Very high | 87.7 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E37 A38 R44 K45 | E37-A41 WeakPolarHBondContact O-CB 3.34Å; E37-A41 PolarHBondContact O-N 2.87Å; A38-A41 PolarHBondContact O-N 3.49Å; A41-R44 PolarHBondContact O-N 2.6Å; A41-K45 PolarHBondContact O-N 3.06Å |
| 42 | A | 91.3 | Very high | 86.3 | Confident | 51 Ų | 51 | 101.1 Ų | 101.1 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | A38 D39 K45 R46 | A38-A42 WeakPolarHBondContact O-CB 3.41Å; A38-A42 PolarHBondContact O-N 3.18Å; D39-A42 PolarHBondContact O-N 2.83Å; A42-K45 PolarHBondContact O-N 2.92Å; A42-R46 PolarHBondContact O-N 2.68Å |
| 43 | A | 93.8 | Very high | 84.9 | Confident | 41 Ų | 41 | 103.2 Ų | 103.2 | 34% | 0.339 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D39 Y40 R46 I47 | D39-A43 WeakPolarHBondContact O-CB 3.47Å; D39-A43 PolarHBondContact O-N 3.08Å; Y40-A43 PolarHBondContact O-N 2.91Å; A43-R46 PolarHBondContact O-N 2.9Å; A43-I47 WeakPolarHBondContact O-CG1 3.33Å; A43-I47 PolarHBondContact O-N 2.96Å |
| 44 | R | 93.2 | Very high | 82.8 | Confident | 149 Ų | 149 | 105.7 Ų | 105.7 | 56% | 0.562 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.3 | -46.1 | 175.8 | -173 | 180 | -178.8 | -83.6 | 0.1 | 112 | Y40 A41 R46 I47 M48 | Y40-R44 WeakPolarHBondContact O-CB 3.36Å; Y40-R44 PolarHBondContact O-N 3.15Å; A41-R44 PolarHBondContact O-N 2.6Å; R44-R46 VanDerWaalsContact C-N 3.29Å; R44-R46 PolarHBondContact O-N 3.35Å; R44-I47 PolarHBondContact O-N 3.37Å; R44-M48 VanDerWaalsContact O-CB 3.26Å; R44-M48 WeakPolarHBondContact O-CB 3.4Å; R44-M48 PolarHBondContact O-N 2.88Å |
| 45 | K | 89.2 | Confident | 80.5 | Confident | 109 Ų | 109 | 104.2 Ų | 104.2 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.5 | -44.4 | 172.8 | -76.4 | -174.1 | 175.6 | -174.3 | 0 | 111.1 | A41 A42 G49 S50 A51 E54 | A41-K45 PolarHBondContact O-N 3.06Å; A42-K45 PolarHBondContact O-N 2.92Å; K45-G49 PolarHBondContact O-N 2.84Å; K45-S50 PolarHBondContact O-N 3.25Å; K45-A51 HydrophobicContact CB-CB 4.2Å; K45-A51 PolarHBondContact O-N 3.37Å; K45-A51 VanDerWaalsContact O-N 3.08Å; K45-E54 IonicContact NZ-OE2 3.49Å; K45-E54 PolarHBondContact NZ-OE2 2.85Å |
| 46 | R | 88 | Confident | 77.8 | Confident | 194 Ų | 194 | 108.1 Ų | 108.1 | 73% | 0.732 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.2 | -46.2 | -179.7 | -170.8 | -178.9 | -64.3 | 162.4 | 1.9 | 113 | A42 A43 R44 M48 G49 A51 | A42-R46 PolarHBondContact O-N 2.68Å; A43-R46 PolarHBondContact O-N 2.9Å; R44-R46 VanDerWaalsContact C-N 3.29Å; R44-R46 PolarHBondContact O-N 3.35Å; R46-M48 VanDerWaalsContact C-N 3.34Å; R46-G49 PolarHBondContact O-N 3.49Å; R46-A51 HydrophobicContact CB-CB 4.39Å |
| 47 | I | 87.3 | Confident | 75.2 | Confident | 149 Ų | 149 | 109.5 Ų | 109.5 | 76% | 0.764 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.3 | -34.6 | -180 | -66.3 | 165.3 | 0 | 0 | 0 | 111.3 | A43 R44 G49 | A43-I47 WeakPolarHBondContact O-CG1 3.33Å; A43-I47 PolarHBondContact O-N 2.96Å; R44-I47 PolarHBondContact O-N 3.37Å; I47-G49 PolarHBondContact O-N 3.42Å |
| 48 | M | 89 | Confident | 72.7 | Confident | 117 Ų | 117 | 109.7 Ų | 109.7 | 58% | 0.576 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -3.8 | 177.8 | -162.1 | 60.5 | 63.2 | 0 | 0 | 113.7 | R44 R46 S50 | R44-M48 VanDerWaalsContact O-CB 3.26Å; R44-M48 WeakPolarHBondContact O-CB 3.4Å; R44-M48 PolarHBondContact O-N 2.88Å; R46-M48 VanDerWaalsContact C-N 3.34Å; M48-S50 PolarHBondContact O-N 3Å |
| 49 | G | 78.2 | Confident | 70.2 | Confident | 65 Ų | 65 | 113.9 Ų | 113.9 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | -3.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K45 R46 I47 A51 | K45-G49 PolarHBondContact O-N 2.84Å; R46-G49 PolarHBondContact O-N 3.49Å; I47-G49 PolarHBondContact O-N 3.42Å; G49-A51 VanDerWaalsContact C-N 3.31Å |
| 50 | S | 61.9 | Low | 67.5 | Low | 80 Ų | 80 | 117.9 Ų | 117.9 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | | | trans | -84.8 | -2.6 | 177.1 | 60 | 0 | 0 | 0 | 0 | 113.9 | K45 M48 T52 | K45-S50 PolarHBondContact O-N 3.25Å; M48-S50 PolarHBondContact O-N 3Å; S50-T52 VanDerWaalsContact C-N 3.28Å; S50-T52 PolarHBondContact O-N 2.84Å |
| 51 | A | 61.2 | Low | 65 | Low | 45 Ų | 45 | 116.7 Ų | 116.7 | 37% | 0.372 | 64% | 0.638 | S | S | . | * | | | trans | -70.9 | 87 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K45 R46 G49 | K45-A51 HydrophobicContact CB-CB 4.2Å; K45-A51 PolarHBondContact O-N 3.37Å; K45-A51 VanDerWaalsContact O-N 3.08Å; R46-A51 HydrophobicContact CB-CB 4.39Å; G49-A51 VanDerWaalsContact C-N 3.31Å |
| 52 | T | 56.5 | Low | 62.4 | Low | 110 Ų | 110 | 122.1 Ų | 122.1 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | | | trans | -48.5 | 151.2 | 142.9 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | S50 E54 | S50-T52 VanDerWaalsContact C-N 3.28Å; S50-T52 PolarHBondContact O-N 2.84Å; T52-E54 PolarHBondContact O-N 2.93Å |
| 53 | P | 57.8 | Low | 60.3 | Low | 125 Ų | 125 | 126.8 Ų | 126.8 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | | | trans | -69 | 84 | 172.3 | 29.6 | -33.9 | 0 | 0 | 0 | 109 | S55 | P53-S55 PolarHBondContact O-N 3.1Š|
| 54 | E | 47.4 | Very low | 57.6 | Low | 154 Ų | 154 | 129.7 Ų | 129.7 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | | | trans | -62.4 | 91.8 | 167.1 | -172.7 | 160.7 | -155.1 | 0 | 0 | 106.8 | K45 T52 L56 | K45-E54 IonicContact NZ-OE2 3.49Å; K45-E54 PolarHBondContact NZ-OE2 2.85Å; T52-E54 PolarHBondContact O-N 2.93Å; E54-L56 PolarHBondContact O-N 3.21Å |
| 55 | S | 42.3 | Very low | 55.1 | Low | 89 Ų | 89 | 130.7 Ų | 130.7 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | | | trans | -64.8 | 128.8 | -169.8 | 48.5 | 0 | 0 | 0 | 0 | 109.2 | P53 K57 | P53-S55 PolarHBondContact O-N 3.1Å; S55-K57 PolarHBondContact O-N 3.03Å |
| 56 | L | 34.8 | Very low | 53 | Low | 176 Ų | 176 | 130.2 Ų | 130.2 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -64.8 | 74.3 | 175 | -71.2 | 164 | 0 | 0 | 0 | 110.3 | E54 | E54-L56 PolarHBondContact O-N 3.21Š|
| 57 | K | 38.5 | Very low | 50.6 | Low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | | | trans | -176 | 55.5 | 177.1 | -109.1 | 166.6 | -174.9 | -171.7 | 0 | 112.9 | S55 | S55-K57 PolarHBondContact O-N 3.03Š|
| 58 | V | 42 | Very low | 48.8 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | | | trans | -127 | 64.7 | 152.1 | -164.8 | 0 | 0 | 0 | 0 | 109 | | |
| 59 | E | 40.1 | Very low | 46.8 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | | | trans | -62.3 | 130.2 | 140.5 | -72.9 | -175.1 | 120.3 | 0 | 0 | 106 | K61 | E59-K61 HydrophobicContact CB-CD 4.43Å; E59-K61 HydrophobicContact CB-CG 4.49Å; E59-K61 PolarHBondContact O-N 2.7Å; E59-K61 IonicContact OE1-NZ 2.69Å; E59-K61 PolarHBondContact OE1-NZ 2.8Å; E59-K61 IonicContact OE2-NZ 2.87Å; E59-K61 PolarHBondContact OE2-NZ 2.85Å |
| 60 | T | 36.2 | Very low | 45 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | | | trans | -72.6 | 76.8 | 173.6 | -49.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 61 | K | 43 | Very low | 44.1 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | | | trans | -105.6 | 106 | 169 | -79.1 | 171.4 | -176.2 | 154.3 | 0 | 108.7 | E59 | E59-K61 HydrophobicContact CB-CD 4.43Å; E59-K61 HydrophobicContact CB-CG 4.49Å; E59-K61 PolarHBondContact O-N 2.7Å; E59-K61 IonicContact OE1-NZ 2.69Å; E59-K61 PolarHBondContact OE1-NZ 2.8Å; E59-K61 IonicContact OE2-NZ 2.87Å; E59-K61 PolarHBondContact OE2-NZ 2.85Å |
| 62 | E | 38.1 | Very low | 43.3 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | -35.9 | 147.3 | 149.8 | -86.1 | -93.7 | 110.2 | 0 | 0 | 112 | | |
| 63 | L | 47.9 | Very low | 43 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | 66.4 | 140.9 | 170.9 | -53.3 | 156.3 | 0 | 0 | 0 | 114.5 | | |
| 64 | T | 37.4 | Very low | 42.6 | Very low | 103 Ų | 103 | 146 Ų | 146 | 63% | 0.632 | 78% | 0.776 | S | S | * | * | | | cis | 171.6 | 163.6 | -7.6 | -95.3 | 0 | 0 | 0 | 0 | 103.5 | | |
| 65 | E | 40.7 | Very low | 42.8 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 66.5 | 106 | 166.8 | -85.7 | 172.2 | 112.8 | 0 | 0 | 120.6 | | |
| 66 | S | 44.6 | Very low | 43.3 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | | 103.9 | 130.8 | 121.6 | 82.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 67 | N | 38.4 | Very low | 44 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 59.6 | 80.4 | 153.8 | -62.7 | -50.6 | 0 | 0 | 0 | 120.3 | V69 | N67-V69 PolarHBondContact O-N 2.79Š|
| 68 | P | 48.5 | Very low | 44.3 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -71.6 | 113.6 | 141 | 31.9 | -29.3 | 0 | 0 | 0 | 109.5 | | |
| 69 | V | 47.3 | Very low | 44.7 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -71.6 | 135.7 | 178 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | N67 | N67-V69 PolarHBondContact O-N 2.79Š|
| 70 | K | 39.8 | Very low | 44.9 | Very low | 192 Ų | 192 | 143 Ų | 143 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | -49.9 | 139.1 | 174.7 | -70.7 | -178.4 | 171 | -172.3 | 0 | 112.5 | | |
| 71 | M | 44.1 | Very low | 45.4 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | | | | -175 | 92.6 | 127.1 | -102.2 | 179.8 | -61.2 | 0 | 0 | 110.3 | | |
| 72 | T | 44.7 | Very low | 45.5 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | trans | -138.1 | 116.5 | 161 | 47.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 73 | D | 50.3 | Low | 45.6 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -85.5 | 165.4 | -174.2 | -151.6 | -1.2 | 0 | 0 | 0 | 111.9 | | |
| 74 | D | 48 | Very low | 45.3 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -60 | 149.5 | -165.1 | -73.2 | -35.3 | 0 | 0 | 0 | 115.8 | | |
| 75 | T | 51.1 | Low | 45.4 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | | 174.3 | 116.7 | 112.5 | -75.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 76 | N | 53 | Low | 45.6 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | 28.4 | 139.9 | 138.7 | -62.4 | -65.3 | 0 | 0 | 0 | 120.6 | | |
| 77 | K | 49.6 | Very low | 45.2 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | cis | -164.4 | 130.4 | 24.7 | -122.5 | 156.3 | -174.1 | -71.8 | 0 | 109.1 | | |
| 78 | V | 45.1 | Very low | 45.3 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | | | | 84.2 | 108.6 | 104.1 | 158.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 79 | I | 50.1 | Low | 44.9 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | 54.2 | 126.1 | 139.8 | -40.1 | 170.9 | 0 | 0 | 0 | 116.9 | | |
| 80 | T | 44.3 | Very low | 45.1 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | cis | -154.5 | 166 | 48.3 | -34.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 81 | K | 47.5 | Very low | 45.3 | Very low | 194 Ų | 194 | 140 Ų | 140 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -82 | 145.4 | -179.5 | -46.9 | 165.2 | -178.4 | 176.6 | 0 | 113.5 | | |
| 82 | Q | 45.4 | Very low | 45 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | | -161.2 | 170.3 | 130 | -122.6 | 174 | -17.2 | 0 | 0 | 112.3 | | |
| 83 | D | 38.9 | Very low | 45.2 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -91.5 | 163.7 | -152.7 | -81.6 | -72.1 | 0 | 0 | 0 | 117.4 | | |
| 84 | P | 43 | Very low | 45.2 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -96.8 | 120 | -165 | 35.6 | -33.9 | 0 | 0 | 0 | 116 | | |
| 85 | S | 39 | Very low | 45.2 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -166.7 | 157 | 148.1 | 66.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 86 | T | 44.3 | Very low | 45.4 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | cis | -133.5 | -178.7 | 11.2 | 42.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 87 | A | 37.4 | Very low | 44.7 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | | | trans | -66.6 | 138.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 88 | S | 40.2 | Very low | 44.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -146.7 | 140.6 | 169.3 | -166.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 89 | T | 40.7 | Very low | 44.7 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | | | trans | -67.2 | 149 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 90 | I | 50.2 | Low | 44.5 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | | | trans | -140.4 | 147.5 | 174.3 | -7.4 | 177.1 | 0 | 0 | 0 | 109.3 | | |
| 91 | P | 45.3 | Very low | 44.5 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | | -127.4 | 161 | -65.8 | 38.7 | -28.6 | 0 | 0 | 0 | 113.1 | | |
| 92 | T | 37.8 | Very low | 44.2 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | -77.6 | 132.7 | 167.2 | -58 | 0 | 0 | 0 | 0 | 110.5 | | |
| 93 | T | 47.7 | Very low | 44.1 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | trans | -138.1 | 99.5 | 174.3 | -18.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 94 | Q | 50.1 | Low | 44.2 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | 171.7 | 153.8 | 162.3 | -102.1 | 156.9 | 97.2 | 0 | 0 | 109.4 | | |
| 95 | N | 49.6 | Very low | 44.2 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | | | cis | -163.7 | 150 | -42.6 | -108.6 | -4.5 | 0 | 0 | 0 | 108 | | |
| 96 | M | 55.1 | Low | 44.4 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | | | trans | 13.7 | 118.2 | 171 | -72.3 | 178.9 | -74.5 | 0 | 0 | 120.3 | | |
| 97 | E | 38.5 | Very low | 44.6 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -51.9 | 134.7 | 164.3 | 176.8 | -172.4 | 162.2 | 0 | 0 | 114.8 | | |
| 98 | V | 53.7 | Low | 45 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -141.2 | 127.9 | 152.6 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 99 | S | 40.5 | Very low | 44.9 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -81.8 | 143.9 | 179.8 | -77.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 100 | G | 45.8 | Very low | 45.5 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | | | trans | -162.3 | 112.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 101 | Q | 45 | Very low | 44.9 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | | | trans | -77 | 160.4 | 170.8 | -68.2 | 167.8 | -5.2 | 0 | 0 | 110.3 | | |
| 102 | S | 41.1 | Very low | 45 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | | | cis | -174 | 168.7 | -10.5 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 103 | N | 42.6 | Very low | 45.1 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | 68.5 | 155 | 161.3 | -55.4 | -18.7 | 0 | 0 | 0 | 117.3 | | |
| 104 | S | 41.2 | Very low | 45.1 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -169.9 | 168.9 | -17.8 | 48 | 0 | 0 | 0 | 0 | 111.3 | | |
| 105 | S | 43.1 | Very low | 44.5 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | 77.7 | 126.1 | 164.6 | -85.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 106 | E | 42.4 | Very low | 44.5 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | | | | 52.3 | 144.7 | 126.9 | -60.9 | 162.1 | 119.7 | 0 | 0 | 119.9 | | |
| 107 | M | 47.9 | Very low | 44.1 | Very low | 149 Ų | 149 | 136 Ų | 136 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | cis | -161.7 | 174.6 | -1.1 | -119.9 | -170.4 | -132.2 | 0 | 0 | 106.9 | | |
| 108 | T | 46.4 | Very low | 44 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | cis | -149 | 174.2 | 8.4 | -22.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 109 | T | 39.3 | Very low | 43.9 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | | | trans | -93.7 | 155.6 | 165.5 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 110 | N | 51.3 | Low | 43.7 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | trans | -158.5 | 152.2 | 147.9 | -106.2 | -43.6 | 0 | 0 | 0 | 110.6 | | |
| 111 | H | 38.2 | Very low | 43.7 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | | | trans | -132.7 | 144 | -170.6 | -40.9 | -94.6 | 0 | 0 | 0 | 110.4 | | |
| 112 | L | 48.6 | Very low | 43.5 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | | | trans | -152.6 | 149.4 | 155.6 | -147.2 | 63.4 | 0 | 0 | 0 | 113.1 | | |
| 113 | F | 38.5 | Very low | 43.7 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 77% | 0.772 | 77% | 0.766 | S | S | * | * | | | trans | -87.7 | 159.9 | -176.1 | -63.1 | -105 | 0 | 0 | 0 | 112.2 | | |
| 114 | T | 47.7 | Very low | 44 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | trans | -160.5 | 152.4 | 139.8 | -77.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 115 | N | 38.9 | Very low | 43.7 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -104.1 | -140.5 | -178 | -78.5 | -86.9 | 0 | 0 | 0 | 108.8 | | |
| 116 | H | 49.7 | Very low | 43.8 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | cis | -157.4 | 147.4 | 4.7 | -31.1 | -126.9 | 0 | 0 | 0 | 109.7 | | |
| 117 | S | 45 | Very low | 43.7 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | 70.2 | 143.6 | 168.1 | -149.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 118 | G | 38.2 | Very low | 43.4 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | cis | 132.8 | 63.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 119 | V | 50.5 | Low | 43.3 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | -134.7 | 123.7 | 171 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 120 | Q | 36.3 | Very low | 43.5 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -82 | 141.7 | 167 | -63 | 179.4 | 10 | 0 | 0 | 109.9 | | |
| 121 | L | 45.5 | Very low | 43.3 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -137.1 | 115.3 | 155.5 | -84.6 | 174.5 | 0 | 0 | 0 | 109.5 | | |
| 122 | S | 40.9 | Very low | 43.3 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 145.9 | -179.9 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 123 | M | 45.5 | Very low | 43.5 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 135.1 | 169 | -70.5 | -79.5 | -73.5 | 0 | 0 | 111.5 | | |
| 124 | P | 48.2 | Very low | 43.6 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 119 | 153.7 | 33 | -24.6 | 0 | 0 | 0 | 110.3 | | |
| 125 | Q | 36 | Very low | 43.6 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 140.9 | 160.7 | -68.6 | 177.2 | -31.9 | 0 | 0 | 109.1 | | |
| 126 | S | 43.9 | Very low | 43.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -132.7 | 154.3 | 166 | 73.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 127 | N | 40.7 | Very low | 43.9 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -98.7 | 145.2 | -171.6 | -97.8 | -81.4 | 0 | 0 | 0 | 112.3 | | |
| 128 | K | 41.4 | Very low | 43.7 | Very low | 180 Ų | 180 | 148 Ų | 148 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | 31 | 116.3 | 137.5 | -54 | 172.7 | -174.1 | -178.5 | 0 | 118.1 | | |
| 129 | Q | 44.5 | Very low | 44 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | | 178.7 | 134.6 | 102.9 | -96.2 | -179.5 | 16.4 | 0 | 0 | 111.3 | | |
| 130 | P | 43.6 | Very low | 43.6 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -90.8 | 154 | 157.8 | 35.8 | -30.2 | 0 | 0 | 0 | 110.9 | | |
| 131 | L | 48.5 | Very low | 44 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | -120.5 | 124.7 | 173 | -128.4 | 80.1 | 0 | 0 | 0 | 110 | | |
| 132 | D | 38.1 | Very low | 43.8 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -82.5 | 129.3 | 177.5 | -68.8 | -70.6 | 0 | 0 | 0 | 112.3 | | |
| 133 | I | 52 | Low | 43.7 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | -136.8 | 101.7 | 165.2 | -61.4 | -173.2 | 0 | 0 | 0 | 112.4 | | |
| 134 | N | 40.8 | Very low | 43.7 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | trans | 76.4 | 160.9 | 141.2 | -150.4 | 9.7 | 0 | 0 | 0 | 120.8 | | |
| 135 | V | 47.4 | Very low | 43.2 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -130.1 | 134.8 | -157 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 136 | G | 45.6 | Very low | 43.8 | Very low | 73 Ų | 73 | 146.3 Ų | 146.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -107.7 | 157.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 137 | R | 49 | Very low | 43.6 | Very low | 251 Ų | 251 | 145.6 Ų | 145.6 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | | | trans | -103.7 | 149.7 | -163.9 | -66.4 | -178 | 177.1 | 178.2 | -0.9 | 116.3 | | |
| 138 | K | 40.7 | Very low | 43.9 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -59.2 | -179.8 | 160.5 | -104.4 | -177.8 | 178.1 | 176.9 | 0 | 112.8 | | |
| 139 | P | 45.3 | Very low | 43.9 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | | | cis | -142.4 | -179.5 | 14.1 | 42 | -23 | 0 | 0 | 0 | 118.6 | | |
| 140 | Q | 40.8 | Very low | 43.9 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | 64.5 | 151.7 | 147 | -95.7 | 164.7 | -69.1 | 0 | 0 | 119.5 | | |
| 141 | Q | 44.7 | Very low | 43.8 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | cis | -147.5 | 170.1 | 33.9 | -79.6 | -168.4 | -21.2 | 0 | 0 | 115.5 | | |
| 142 | H | 41.6 | Very low | 43.7 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 61% | 0.611 | 80% | 0.797 | S | S | * | * | | | trans | 8.8 | 129.2 | 153.3 | -58.2 | -66 | 0 | 0 | 0 | 121 | | |
| 143 | S | 39 | Very low | 43.9 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | | 82.1 | 135 | 57.8 | -58.1 | 0 | 0 | 0 | 0 | 115 | | |
| 144 | H | 45.7 | Very low | 43.7 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 158.3 | 151 | 138.8 | -79.2 | -53.2 | 0 | 0 | 0 | 112.8 | | |
| 145 | S | 38.1 | Very low | 43.7 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -148.5 | 134.7 | -177.4 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 146 | T | 49.4 | Very low | 43.6 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -166 | 138.9 | 160.8 | 37 | 0 | 0 | 0 | 0 | 107.4 | | |
| 147 | S | 39.1 | Very low | 43.4 | Very low | 106 Ų | 106 | 158.3 Ų | 158.3 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | cis | 81.6 | 102.5 | 32.9 | -163.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 148 | N | 47 | Very low | 42.8 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | 171 | 157.6 | 160.4 | -88.4 | -34.1 | 0 | 0 | 0 | 107.9 | | |
| 149 | G | 42 | Very low | 43 | Very low | 67 Ų | 67 | 147.6 Ų | 147.6 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | cis | -165.4 | -176.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 150 | V | 43.9 | Very low | 42.8 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -121.8 | 136.5 | -160 | 162.6 | 0 | 0 | 0 | 0 | 116 | | |
| 151 | R | 40.3 | Very low | 43.2 | Very low | 228 Ų | 228 | 148.8 Ų | 148.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | 37.9 | 121.7 | 156.4 | -71.4 | 175.8 | 167.1 | -153.5 | -1.9 | 122.2 | | |
| 152 | Q | 47.9 | Very low | 43 | Very low | 197 Ų | 197 | 146 Ų | 146 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -146.7 | 142.8 | 134.1 | -62.6 | -172 | 10.5 | 0 | 0 | 108.5 | | |
| 153 | N | 41.7 | Very low | 43.2 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | cis | 91.1 | 81.8 | -8.4 | -162.1 | 98.4 | 0 | 0 | 0 | 120.2 | | |
| 154 | L | 47.9 | Very low | 43.4 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | | | trans | -161.6 | 156.4 | 141.6 | -136.8 | 69.1 | 0 | 0 | 0 | 114.4 | | |
| 155 | Q | 41.5 | Very low | 43.5 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | | | trans | 11.8 | 123 | 161.7 | -68.8 | 150.8 | 2.1 | 0 | 0 | 120.1 | | |
| 156 | Q | 43.7 | Very low | 43.8 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | | | | 55.6 | 103.6 | 74.6 | -78.1 | -166.6 | -15.3 | 0 | 0 | 116.6 | | |
| 157 | R | 42.2 | Very low | 43.4 | Very low | 257 Ų | 257 | 148.5 Ų | 148.5 | 97% | 0.97 | 81% | 0.814 | S | S | * | * | | | trans | -161.2 | 150.5 | 135.9 | -113.1 | 170.5 | -177.5 | -131.7 | -2.7 | 111 | | |
| 158 | S | 36.6 | Very low | 43.8 | Very low | 125 Ų | 125 | 154.5 Ų | 154.5 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | trans | -115.6 | 141.8 | -172.2 | -50.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 159 | A | 44.1 | Very low | 44.3 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -146.9 | 133.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 160 | T | 42.6 | Very low | 45.3 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | -124.7 | 122.6 | -178.6 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 161 | V | 48.4 | Very low | 46.4 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | | | trans | -134.5 | 132.7 | 165 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 162 | S | 39.8 | Very low | 47 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -123.3 | 134.9 | 174.3 | 178 | 0 | 0 | 0 | 0 | 108.8 | | |
| 163 | A | 45.9 | Very low | 47.5 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | -151.3 | 98.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 164 | N | 43.1 | Very low | 48.4 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -68.5 | 136.8 | 168.1 | -56.5 | -32.1 | 0 | 0 | 0 | 109.7 | | |
| 165 | R | 47.6 | Very low | 48.6 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -151.1 | 138.1 | 145 | -83.4 | -147.4 | 177 | -90 | -6.2 | 114.2 | | |
| 166 | L | 45.2 | Very low | 49.3 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | | | trans | 60.3 | 117.1 | 155.7 | -98 | 59.3 | 0 | 0 | 0 | 120.4 | | |
| 167 | S | 41.5 | Very low | 49.7 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | -85 | 147.2 | 166.6 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 168 | Y | 48 | Very low | 50.2 | Low | 232 Ų | 232 | 138 Ų | 138 | 91% | 0.91 | 78% | 0.779 | S | S | * | * | | | trans | -145 | 119.3 | 149.1 | -138.4 | -94.1 | 0 | 0 | 0 | 108.2 | | |
| 169 | I | 57.4 | Low | 50.7 | Low | 134 Ų | 134 | 141.1 Ų | 141.1 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | trans | -126.2 | 118.4 | -177.4 | -61.5 | 177.6 | 0 | 0 | 0 | 108 | | |
| 170 | P | 63.1 | Low | 51 | Low | 91 Ų | 91 | 141.8 Ų | 141.8 | 59% | 0.591 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 157.6 | 173 | 32.3 | -34.1 | 0 | 0 | 0 | 111.4 | H172 | P170-H172 PolarHBondContact O-N 3.11Š|
| 171 | P | 65.9 | Low | 51.2 | Low | 132 Ų | 132 | 138.5 Ų | 138.5 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 130.1 | -175.3 | 27.5 | -34.8 | 0 | 0 | 0 | 112.1 | | |
| 172 | H | 52.2 | Low | 51.1 | Low | 142 Ų | 142 | 141.8 Ų | 141.8 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 146.4 | 173.7 | -71.8 | -91.1 | 0 | 0 | 0 | 111.5 | P170 | P170-H172 PolarHBondContact O-N 3.11Š|
| 173 | P | 60 | Low | 51.9 | Low | 102 Ų | 102 | 144.2 Ų | 144.2 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 163.5 | 165.9 | 29.4 | -34.9 | 0 | 0 | 0 | 111.2 | L175 | P173-L175 PolarHBondContact O-N 3.38Š|
| 174 | P | 59.2 | Low | 51.9 | Low | 131 Ų | 131 | 145.9 Ų | 145.9 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.5 | -169.2 | 19.3 | -33.1 | 0 | 0 | 0 | 113.2 | | |
| 175 | L | 53.8 | Low | 52.1 | Low | 136 Ų | 136 | 145.5 Ų | 145.5 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 137.8 | 178.9 | -68 | 167.3 | 0 | 0 | 0 | 110.8 | P173 | P173-L175 PolarHBondContact O-N 3.38Š|
| 176 | F | 55.3 | Low | 52.5 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 136.5 | 158.6 | -77.5 | -90.6 | 0 | 0 | 0 | 109.2 | F178 | F176-F178 HydrophobicContact CB-CE2 4.37Å; F176-F178 HydrophobicContact CB-CZ 4.25Å; F176-F178 WeakPolarHBondContact O-CD2 3.39Å; F176-F178 WeakPolarHBondContact O-CE2 3.39Å; F176-F178 PolarHBondContact O-N 3.4Å |
| 177 | S | 52.6 | Low | 53.1 | Low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -70.9 | 84.8 | -177.5 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | Q179 | S177-Q179 PolarHBondContact O-N 3.02Š|
| 178 | F | 51.7 | Low | 54.6 | Low | 166 Ų | 166 | 140.7 Ų | 140.7 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | | | trans | -69.5 | 81.1 | 170.4 | -58.9 | -71.5 | 0 | 0 | 0 | 110.2 | F176 T180 | F176-F178 HydrophobicContact CB-CE2 4.37Å; F176-F178 HydrophobicContact CB-CZ 4.25Å; F176-F178 WeakPolarHBondContact O-CD2 3.39Å; F176-F178 WeakPolarHBondContact O-CE2 3.39Å; F176-F178 PolarHBondContact O-N 3.4Å; F178-T180 VanDerWaalsContact C-N 3.35Å; F178-T180 PolarHBondContact O-N 3.35Å |
| 179 | Q | 48.5 | Very low | 55.7 | Low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -71.7 | 90.9 | 174.9 | -166.2 | 175.2 | 42.2 | 0 | 0 | 109 | S177 G181 | S177-Q179 PolarHBondContact O-N 3.02Å; Q179-G181 VanDerWaalsContact C-N 3.3Å; Q179-G181 PolarHBondContact O-N 2.91Å |
| 180 | T | 48.9 | Very low | 56.2 | Low | 116 Ų | 116 | 133.8 Ų | 133.8 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | | | trans | -72.2 | 80 | -174.8 | 53.6 | 0 | 0 | 0 | 0 | 112 | F178 Y182 | F178-T180 VanDerWaalsContact C-N 3.35Å; F178-T180 PolarHBondContact O-N 3.35Å; T180-Y182 PolarHBondContact O-N 3.19Å |
| 181 | G | 46.9 | Very low | 56.6 | Low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | trans | -64.2 | 112.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q179 N183 | Q179-G181 VanDerWaalsContact C-N 3.3Å; Q179-G181 PolarHBondContact O-N 2.91Å; G181-N183 PolarHBondContact O-N 3.21Å |
| 182 | Y | 46.4 | Very low | 56.9 | Low | 213 Ų | 213 | 133.1 Ų | 133.1 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 118.4 | 172.6 | -62.3 | -96.1 | 0 | 0 | 0 | 109.8 | T180 | T180-Y182 PolarHBondContact O-N 3.19Š|
| 183 | N | 56.4 | Low | 57.6 | Low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.6 | -25.7 | 151.2 | -90.1 | -26.5 | 0 | 0 | 0 | 113.4 | G181 | G181-N183 PolarHBondContact O-N 3.21Š|
| 184 | N | 47.6 | Very low | 57.6 | Low | 130 Ų | 130 | 131.4 Ų | 131.4 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | trans | -102.8 | 99.5 | -171.4 | -73.4 | -65.5 | 0 | 0 | 0 | 113.7 | | |
| 185 | V | 46.8 | Very low | 57.5 | Low | 143 Ų | 143 | 133.3 Ų | 133.3 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -87 | 108 | 172.2 | -78.8 | 0 | 0 | 0 | 0 | 112 | | |
| 186 | G | 54.8 | Low | 57.2 | Low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 91.7 | 11.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 187 | L | 58.6 | Low | 57.2 | Low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 136.7 | 166.3 | -65.5 | 177.2 | 0 | 0 | 0 | 110.4 | | |
| 188 | L | 73.3 | Confident | 57.3 | Low | 158 Ų | 158 | 130.8 Ų | 130.8 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 144.8 | 167.4 | -127.2 | 70.9 | 0 | 0 | 0 | 108.9 | T190 | L188-T190 PolarHBondContact O-N 3.09Å; L188-T190 VanDerWaalsContact O-N 3.1Å |
| 189 | P | 70.9 | Confident | 57.3 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 119.3 | 172 | 23.1 | -34.1 | 0 | 0 | 0 | 110.2 | | |
| 190 | T | 68.1 | Low | 57.1 | Low | 102 Ų | 102 | 122.6 Ų | 122.6 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 136.9 | 177.4 | 6 | 0 | 0 | 0 | 0 | 109.9 | L188 F194 | L188-T190 PolarHBondContact O-N 3.09Å; L188-T190 VanDerWaalsContact O-N 3.1Å; T190-F194 HydrophobicContact CG2-CB 3.7Å |
| 191 | P | 70.3 | Confident | 56.7 | Low | 73 Ų | 73 | 125 Ų | 125 | 47% | 0.474 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 152.2 | 179.5 | -19.1 | 30.1 | 0 | 0 | 0 | 111.6 | G193 F194 | P191-G193 PolarHBondContact O-N 3.05Å; P191-F194 HydrophobicContact CB-CD2 3.78Å; P191-F194 HydrophobicContact CB-CE2 4.21Å; P191-F194 HydrophobicContact CG-CD2 3.95Å; P191-F194 HydrophobicContact CG-CE2 4.27Å; P191-F194 WeakPolarHBondContact O-CB 3.48Å; P191-F194 PolarHBondContact O-N 3.37Å |
| 192 | P | 74 | Confident | 56.7 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 124.6 | 171.9 | -27 | 35.5 | 0 | 0 | 0 | 111.2 | | |
| 193 | G | 65.2 | Low | 56.6 | Low | 77 Ų | 77 | 125.5 Ų | 125.5 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.6 | -24.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P191 Q195 | P191-G193 PolarHBondContact O-N 3.05Å; G193-Q195 PolarHBondContact O-N 3.28Å |
| 194 | F | 60.3 | Low | 56.4 | Low | 131 Ų | 131 | 120.1 Ų | 120.1 | 58% | 0.575 | 73% | 0.725 | S | S | * | * | | | trans | -86.1 | 49.8 | 179.6 | -72 | -100.2 | 0 | 0 | 0 | 112.8 | T190 P191 C196 | T190-F194 HydrophobicContact CG2-CB 3.7Å; P191-F194 HydrophobicContact CB-CD2 3.78Å; P191-F194 HydrophobicContact CB-CE2 4.21Å; P191-F194 HydrophobicContact CG-CD2 3.95Å; P191-F194 HydrophobicContact CG-CE2 4.27Å; P191-F194 WeakPolarHBondContact O-CB 3.48Å; P191-F194 PolarHBondContact O-N 3.37Å; F194-C196 PolarHBondContact O-N 2.88Å |
| 195 | Q | 56.5 | Low | 56.7 | Low | 171 Ų | 171 | 116.2 Ų | 116.2 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | | | trans | -84.7 | 84.5 | 169.6 | -68.6 | -162.5 | 36.9 | 0 | 0 | 110.3 | G193 S197 | G193-Q195 PolarHBondContact O-N 3.28Å; Q195-S197 PolarHBondContact O-N 2.88Å |
| 196 | C | 48.9 | Very low | 56.9 | Low | 122 Ų | 122 | 114.4 Ų | 114.4 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | | | trans | -74 | 70.7 | 165.9 | -62 | 0 | 0 | 0 | 0 | 110 | F194 L198 | F194-C196 PolarHBondContact O-N 2.88Å; C196-L198 PolarHBondContact O-N 3.48Å; C196-L198 VanDerWaalsContact O-N 3.08Å |
| 197 | S | 55.3 | Low | 57.1 | Low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | | | trans | -63.1 | 105.9 | 168.3 | 40.4 | 0 | 0 | 0 | 0 | 109 | Q195 P199 | Q195-S197 PolarHBondContact O-N 2.88Å; S197-P199 WeakPolarHBondContact O-CD 3.15Å |
| 198 | L | 53.5 | Low | 57.5 | Low | 157 Ų | 157 | 117.3 Ų | 117.3 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | | | trans | -65.5 | 112.4 | -175.9 | -164.6 | 78.6 | 0 | 0 | 0 | 110 | C196 T200 | C196-L198 PolarHBondContact O-N 3.48Å; C196-L198 VanDerWaalsContact O-N 3.08Å; L198-T200 PolarHBondContact O-N 3.38Å |
| 199 | P | 53.1 | Low | 57.6 | Low | 69 Ų | 69 | 114.4 Ų | 114.4 | 45% | 0.448 | 67% | 0.67 | S | S | . | * | | | trans | -80.7 | 110 | 177.9 | -5.5 | 24.8 | 0 | 0 | 0 | 108.5 | S197 | S197-P199 WeakPolarHBondContact O-CD 3.15Š|
| 200 | T | 43.7 | Very low | 57.8 | Low | 117 Ų | 117 | 112.1 Ų | 112.1 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -57.9 | 139.8 | 159.8 | 37.1 | 0 | 0 | 0 | 0 | 109.8 | L198 | L198-T200 PolarHBondContact O-N 3.38Š|
| 201 | E | 39.8 | Very low | 58.4 | Low | 166 Ų | 166 | 110 Ų | 110 | 78% | 0.776 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 56.3 | 70.2 | 168.4 | -45.3 | -43.9 | 103.8 | 0 | 0 | 117.8 | | |
| 202 | T | 48.4 | Very low | 59.1 | Low | 103 Ų | 103 | 113 Ų | 113 | 63% | 0.632 | 65% | 0.652 | S | S | * | * | | | trans | -170.4 | 117.7 | 143.3 | 12.8 | 0 | 0 | 0 | 0 | 114.1 | G204 | T202-G204 VanDerWaalsContact C-N 3.29Å; T202-G204 PolarHBondContact O-N 2.89Å |
| 203 | N | 42.6 | Very low | 59.7 | Low | 186 Ų | 186 | 109 Ų | 109 | 100% | 0.995 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 41.8 | -171.8 | -72.5 | -70.7 | 0 | 0 | 0 | 115.8 | | |
| 204 | G | 54 | Low | 60.9 | Low | 43 Ų | 43 | 110.3 Ų | 110.3 | 44% | 0.443 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -156.5 | -17.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | T202 Q208 | T202-G204 VanDerWaalsContact C-N 3.29Å; T202-G204 PolarHBondContact O-N 2.89Å; G204-Q208 PolarHBondContact O-NE2 3.34Å |
| 205 | S | 52.2 | Low | 62.3 | Low | 48 Ų | 48 | 109 Ų | 109 | 34% | 0.336 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -86.8 | -42 | -176 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | Q207 Q208 T209 | S205-Q207 VanDerWaalsContact C-N 3.3Å; S205-Q207 PolarHBondContact O-N 2.97Å; S205-Q208 WeakPolarHBondContact O-CA 3.47Å; S205-Q208 WeakPolarHBondContact O-CB 3.36Å; S205-Q208 PolarHBondContact O-N 2.86Å; S205-T209 PolarHBondContact O-N 2.92Å; S205-T209 PolarHBondContact O-OG1 3.04Å |
| 206 | L | 51.9 | Low | 63.9 | Low | 106 Ų | 106 | 107.8 Ų | 107.8 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.9 | -36.5 | -171.6 | -171.3 | 65.8 | 0 | 0 | 0 | 113.9 | T210 | L206-T210 WeakPolarHBondContact O-CB 3.47Å; L206-T210 PolarHBondContact O-N 3.01Å; L206-T210 VanDerWaalsContact O-N 3.11Å; L206-T210 PolarHBondContact O-OG1 3.08Å |
| 207 | Q | 58.8 | Low | 65.9 | Low | 156 Ų | 156 | 108.3 Ų | 108.3 | 73% | 0.729 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.6 | -44.6 | 172.3 | -73.7 | -75.7 | -0.7 | 0 | 0 | 111.5 | S205 T210 A211 | S205-Q207 VanDerWaalsContact C-N 3.3Å; S205-Q207 PolarHBondContact O-N 2.97Å; Q207-T210 PolarHBondContact O-N 3.41Å; Q207-A211 WeakPolarHBondContact O-CB 3.39Å; Q207-A211 PolarHBondContact O-N 2.9Å |
| 208 | Q | 67 | Low | 67.6 | Low | 124 Ų | 124 | 109.4 Ų | 109.4 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.9 | -43.9 | -179.4 | -62.5 | 179.9 | 57.9 | 0 | 0 | 111.6 | G204 S205 T210 A211 F212 | G204-Q208 PolarHBondContact O-NE2 3.34Å; S205-Q208 WeakPolarHBondContact O-CA 3.47Å; S205-Q208 WeakPolarHBondContact O-CB 3.36Å; S205-Q208 PolarHBondContact O-N 2.86Å; Q208-T210 VanDerWaalsContact C-N 3.29Å; Q208-T210 PolarHBondContact O-N 3.38Å; Q208-A211 PolarHBondContact O-N 3.38Å; Q208-F212 WeakPolarHBondContact O-CB 2.98Å; Q208-F212 PolarHBondContact O-N 3.18Å |
| 209 | T | 74.9 | Confident | 69.5 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.9 | -41 | 175.9 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | S205 A213 | S205-T209 PolarHBondContact O-N 2.92Å; S205-T209 PolarHBondContact O-OG1 3.04Å; T209-A213 WeakPolarHBondContact O-CB 3.44Å; T209-A213 PolarHBondContact O-N 2.9Å; T209-A213 VanDerWaalsContact O-N 3.08Å |
| 210 | T | 76 | Confident | 71.3 | Confident | 71 Ų | 71 | 106.3 Ų | 106.3 | 44% | 0.436 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.3 | -42.1 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | L206 Q207 Q208 A213 L214 | L206-T210 WeakPolarHBondContact O-CB 3.47Å; L206-T210 PolarHBondContact O-N 3.01Å; L206-T210 VanDerWaalsContact O-N 3.11Å; L206-T210 PolarHBondContact O-OG1 3.08Å; Q207-T210 PolarHBondContact O-N 3.41Å; Q208-T210 VanDerWaalsContact C-N 3.29Å; Q208-T210 PolarHBondContact O-N 3.38Å; T210-A213 PolarHBondContact O-N 2.59Å; T210-L214 HydrophobicContact CG2-CD1 4.19Å; T210-L214 WeakPolarHBondContact O-CG 3.47Å; T210-L214 PolarHBondContact O-N 3.43Å |
| 211 | A | 80.5 | Confident | 73.6 | Confident | 56 Ų | 56 | 105.7 Ų | 105.7 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.1 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q207 Q208 L214 M215 | Q207-A211 WeakPolarHBondContact O-CB 3.39Å; Q207-A211 PolarHBondContact O-N 2.9Å; Q208-A211 PolarHBondContact O-N 3.38Å; A211-L214 PolarHBondContact O-N 3.22Å; A211-M215 VanDerWaalsContact O-CB 3.31Å; A211-M215 WeakPolarHBondContact O-CB 3.49Å; A211-M215 PolarHBondContact O-N 3.23Å |
| 212 | F | 85.5 | Confident | 75.9 | Confident | 136 Ų | 136 | 102.8 Ų | 102.8 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -42.4 | 175 | -98.7 | -85.5 | 0 | 0 | 0 | 112.3 | Q208 M215 Q216 | Q208-F212 WeakPolarHBondContact O-CB 2.98Å; Q208-F212 PolarHBondContact O-N 3.18Å; F212-M215 HydrophobicContact CD1-CE 3.62Å; F212-M215 HydrophobicContact CE1-CE 3.61Å; F212-M215 HydrophobicContact CG-CE 4.29Å; F212-M215 HydrophobicContact CZ-CE 4.28Å; F212-M215 PolarHBondContact O-N 3.45Å; F212-Q216 WeakPolarHBondContact O-CB 3.31Å; F212-Q216 PolarHBondContact O-N 3.45Å |
| 213 | A | 84.9 | Confident | 77.8 | Confident | 54 Ų | 54 | 103.5 Ų | 103.5 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T209 T210 Q216 Q217 | T209-A213 WeakPolarHBondContact O-CB 3.44Å; T209-A213 PolarHBondContact O-N 2.9Å; T209-A213 VanDerWaalsContact O-N 3.08Å; T210-A213 PolarHBondContact O-N 2.59Å; A213-Q216 PolarHBondContact O-N 3.38Å; A213-Q217 WeakPolarHBondContact O-CB 3.45Å; A213-Q217 PolarHBondContact O-N 3.2Å |
| 214 | L | 90.7 | Very high | 79.7 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 176.1 | -70.7 | 171.6 | 0 | 0 | 0 | 112.2 | T210 A211 Q217 F218 | T210-L214 HydrophobicContact CG2-CD1 4.19Å; T210-L214 WeakPolarHBondContact O-CG 3.47Å; T210-L214 PolarHBondContact O-N 3.43Å; A211-L214 PolarHBondContact O-N 3.22Å; L214-Q217 PolarHBondContact O-N 3.01Å; L214-F218 WeakPolarHBondContact O-CB 3.43Å; L214-F218 PolarHBondContact O-N 3.16Å |
| 215 | M | 90.2 | Very high | 81.2 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 175.2 | -177.1 | 174 | 66.6 | 0 | 0 | 111.7 | A211 F212 F218 S219 | A211-M215 VanDerWaalsContact O-CB 3.31Å; A211-M215 WeakPolarHBondContact O-CB 3.49Å; A211-M215 PolarHBondContact O-N 3.23Å; F212-M215 HydrophobicContact CD1-CE 3.62Å; F212-M215 HydrophobicContact CE1-CE 3.61Å; F212-M215 HydrophobicContact CG-CE 4.29Å; F212-M215 HydrophobicContact CZ-CE 4.28Å; F212-M215 PolarHBondContact O-N 3.45Å; M215-F218 PolarHBondContact O-N 3.01Å; M215-S219 PolarHBondContact O-N 2.96Å; M215-S219 PolarHBondContact O-OG 3.4Å |
| 216 | Q | 90.7 | Very high | 82.7 | Confident | 146 Ų | 146 | 108 Ų | 108 | 68% | 0.682 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 175.5 | -172 | -178.5 | 27 | 0 | 0 | 111.7 | F212 A213 F218 S219 L220 | F212-Q216 WeakPolarHBondContact O-CB 3.31Å; F212-Q216 PolarHBondContact O-N 3.45Å; A213-Q216 PolarHBondContact O-N 3.38Å; Q216-F218 VanDerWaalsContact C-N 3.34Å; Q216-F218 PolarHBondContact O-N 3.33Å; Q216-S219 PolarHBondContact O-N 2.94Å; Q216-L220 PolarHBondContact O-N 3.38Å |
| 217 | Q | 89.5 | Confident | 83.9 | Confident | 133 Ų | 133 | 109.1 Ų | 109.1 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 175.8 | -175.9 | -176.8 | -13.9 | 0 | 0 | 111.9 | A213 L214 L220 L221 | A213-Q217 WeakPolarHBondContact O-CB 3.45Å; A213-Q217 PolarHBondContact O-N 3.2Å; L214-Q217 PolarHBondContact O-N 3.01Å; Q217-L220 PolarHBondContact O-N 3.43Å; Q217-L221 PolarHBondContact O-N 3.39Å |
| 218 | F | 92.4 | Very high | 84.8 | Confident | 122 Ų | 122 | 105.6 Ų | 105.6 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 177.5 | -175.8 | -109.2 | 0 | 0 | 0 | 112.3 | L214 M215 Q216 L220 L221 Q222 | L214-F218 WeakPolarHBondContact O-CB 3.43Å; L214-F218 PolarHBondContact O-N 3.16Å; M215-F218 PolarHBondContact O-N 3.01Å; Q216-F218 VanDerWaalsContact C-N 3.34Å; Q216-F218 PolarHBondContact O-N 3.33Å; F218-L220 VanDerWaalsContact C-N 3.33Å; F218-L220 PolarHBondContact O-N 3.06Å; F218-L221 PolarHBondContact O-N 3.48Å; F218-Q222 HydrophobicContact CE1-CG 4.23Å; F218-Q222 HydrophobicContact CZ-CG 4.33Å; F218-Q222 PolarHBondContact O-N 2.92Å |
| 219 | S | 91.8 | Very high | 85.1 | Confident | 61 Ų | 61 | 103 Ų | 103 | 43% | 0.427 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 174.1 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | M215 Q216 Q222 Q223 | M215-S219 PolarHBondContact O-N 2.96Å; M215-S219 PolarHBondContact O-OG 3.4Å; Q216-S219 PolarHBondContact O-N 2.94Å; S219-Q222 PolarHBondContact O-N 3.41Å; S219-Q223 PolarHBondContact O-N 3.24Å |
| 220 | L | 91.5 | Very high | 84.9 | Confident | 99 Ų | 99 | 101.7 Ų | 101.7 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.3 | -172.7 | 68.1 | 0 | 0 | 0 | 111.7 | Q216 Q217 F218 Q223 Q224 | Q216-L220 PolarHBondContact O-N 3.38Å; Q217-L220 PolarHBondContact O-N 3.43Å; F218-L220 VanDerWaalsContact C-N 3.33Å; F218-L220 PolarHBondContact O-N 3.06Å; L220-Q223 PolarHBondContact O-N 3.44Å; L220-Q224 WeakPolarHBondContact O-CG 3.48Å; L220-Q224 PolarHBondContact O-N 3.3Å |
| 221 | L | 92 | Very high | 84.4 | Confident | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 176 | -177.3 | 63.6 | 0 | 0 | 0 | 111.9 | Q217 F218 Q224 Y225 | Q217-L221 PolarHBondContact O-N 3.39Å; F218-L221 PolarHBondContact O-N 3.48Å; L221-Q224 PolarHBondContact O-N 2.98Å; L221-Y225 PolarHBondContact O-N 2.95Å |
| 222 | Q | 89.1 | Confident | 83.4 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.4 | -75 | -164.5 | -10.7 | 0 | 0 | 112.2 | F218 S219 Q224 Y225 Q226 | F218-Q222 HydrophobicContact CE1-CG 4.23Å; F218-Q222 HydrophobicContact CZ-CG 4.33Å; F218-Q222 PolarHBondContact O-N 2.92Å; S219-Q222 PolarHBondContact O-N 3.41Å; Q222-Q224 PolarHBondContact O-N 2.86Å; Q222-Y225 PolarHBondContact O-N 3.37Å; Q222-Q226 WeakPolarHBondContact O-CG 3.42Å; Q222-Q226 PolarHBondContact O-N 3.05Å |
| 223 | Q | 87.4 | Confident | 82.2 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.1 | -47.5 | 173.6 | -76.5 | -173.2 | -10.3 | 0 | 0 | 111.5 | S219 L220 Y225 Q226 H227 | S219-Q223 PolarHBondContact O-N 3.24Å; L220-Q223 PolarHBondContact O-N 3.44Å; Q223-Y225 VanDerWaalsContact C-N 3.31Å; Q223-Y225 PolarHBondContact O-N 2.76Å; Q223-Q226 PolarHBondContact O-N 3.34Å; Q223-H227 WeakPolarHBondContact O-CB 3.41Å; Q223-H227 PolarHBondContact O-CD2 2.87Å; Q223-H227 PolarHBondContact O-N 3.47Å |
| 224 | Q | 83 | Confident | 80.9 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 177.8 | -73.8 | -176.3 | -34.2 | 0 | 0 | 112.6 | L220 L221 Q222 H227 T228 | L220-Q224 WeakPolarHBondContact O-CG 3.48Å; L220-Q224 PolarHBondContact O-N 3.3Å; L221-Q224 PolarHBondContact O-N 2.98Å; Q222-Q224 PolarHBondContact O-N 2.86Å; Q224-H227 PolarHBondContact O-N 3.4Å; Q224-T228 WeakPolarHBondContact O-CB 3.47Å; Q224-T228 PolarHBondContact O-N 3.24Å; Q224-T228 PolarHBondContact O-OG1 3.32Å |
| 225 | Y | 85.8 | Confident | 79.2 | Confident | 146 Ų | 146 | 107.5 Ų | 107.5 | 57% | 0.573 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.9 | -47.7 | 174.8 | -176.8 | -105.4 | 0 | 0 | 0 | 112.2 | L221 Q222 Q223 H227 T228 L229 | L221-Y225 PolarHBondContact O-N 2.95Å; Q222-Y225 PolarHBondContact O-N 3.37Å; Q223-Y225 VanDerWaalsContact C-N 3.31Å; Q223-Y225 PolarHBondContact O-N 2.76Å; Y225-H227 PolarHBondContact O-N 2.98Å; Y225-T228 WeakPolarHBondContact O-CB 3.45Å; Y225-T228 PolarHBondContact O-N 3.05Å; Y225-T228 VanDerWaalsContact O-N 3.14Å; Y225-L229 HydrophobicContact CD1-CD1 4.02Å; Y225-L229 HydrophobicContact CD1-CG 4.48Å; Y225-L229 HydrophobicContact CE1-CD1 3.45Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.45Å; Y225-L229 HydrophobicContact CE1-CG 4.15Å; Y225-L229 PolarHBondContact O-N 3.02Å |
| 226 | Q | 83.3 | Confident | 77.5 | Confident | 114 Ų | 114 | 108.8 Ų | 108.8 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 177.8 | -64.8 | -63.5 | 92 | 0 | 0 | 112.6 | Q222 Q223 T228 T230 | Q222-Q226 WeakPolarHBondContact O-CG 3.42Å; Q222-Q226 PolarHBondContact O-N 3.05Å; Q223-Q226 PolarHBondContact O-N 3.34Å; Q226-T228 VanDerWaalsContact C-N 3.34Å; Q226-T230 WeakPolarHBondContact O-CB 3.38Å; Q226-T230 WeakPolarHBondContact O-CG2 3.12Å; Q226-T230 PolarHBondContact O-N 2.91Å; Q226-T230 PolarHBondContact O-OG1 3.46Å |
| 227 | H | 77.8 | Confident | 75.9 | Confident | 131 Ų | 131 | 107.9 Ų | 107.9 | 61% | 0.606 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -36.3 | 171.9 | -73.6 | -54.3 | 0 | 0 | 0 | 112.4 | Q223 Q224 Y225 T230 G231 | Q223-H227 WeakPolarHBondContact O-CB 3.41Å; Q223-H227 PolarHBondContact O-CD2 2.87Å; Q223-H227 PolarHBondContact O-N 3.47Å; Q224-H227 PolarHBondContact O-N 3.4Å; Y225-H227 PolarHBondContact O-N 2.98Å; H227-T230 WeakPolarHBondContact CA-OG1 3.31Å; H227-T230 PolarHBondContact O-OG1 3.5Å; H227-G231 PolarHBondContact O-N 3.35Å |
| 228 | T | 76.6 | Confident | 74.2 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -47.6 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 111 | Q224 Y225 Q226 T230 G231 I232 | Q224-T228 WeakPolarHBondContact O-CB 3.47Å; Q224-T228 PolarHBondContact O-N 3.24Å; Q224-T228 PolarHBondContact O-OG1 3.32Å; Y225-T228 WeakPolarHBondContact O-CB 3.45Å; Y225-T228 PolarHBondContact O-N 3.05Å; Y225-T228 VanDerWaalsContact O-N 3.14Å; Q226-T228 VanDerWaalsContact C-N 3.34Å; T228-T230 PolarHBondContact O-N 2.88Å; T228-G231 PolarHBondContact O-N 3.23Å; T228-I232 HydrophobicContact CG2-CD1 3.89Å; T228-I232 VanDerWaalsContact O-CG1 3.31Å; T228-I232 WeakPolarHBondContact O-CG1 3.46Å; T228-I232 PolarHBondContact O-N 3.3Å |
| 229 | L | 74.3 | Confident | 72 | Confident | 70 Ų | 70 | 104.3 Ų | 104.3 | 37% | 0.366 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 177 | -70.3 | -176.8 | 0 | 0 | 0 | 112.8 | Y225 G231 I232 Q233 | Y225-L229 HydrophobicContact CD1-CD1 4.02Å; Y225-L229 HydrophobicContact CD1-CG 4.48Å; Y225-L229 HydrophobicContact CE1-CD1 3.45Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.45Å; Y225-L229 HydrophobicContact CE1-CG 4.15Å; Y225-L229 PolarHBondContact O-N 3.02Å; L229-G231 VanDerWaalsContact C-N 3.35Å; L229-I232 PolarHBondContact O-N 3.14Å; L229-Q233 PolarHBondContact O-N 3.23Å |
| 230 | T | 70.2 | Confident | 69.7 | Low | 69 Ų | 69 | 104.6 Ų | 104.6 | 42% | 0.423 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.4 | -30.4 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | Q226 H227 T228 K234 | Q226-T230 WeakPolarHBondContact O-CB 3.38Å; Q226-T230 WeakPolarHBondContact O-CG2 3.12Å; Q226-T230 PolarHBondContact O-N 2.91Å; Q226-T230 PolarHBondContact O-OG1 3.46Å; H227-T230 WeakPolarHBondContact CA-OG1 3.31Å; H227-T230 PolarHBondContact O-OG1 3.5Å; T228-T230 PolarHBondContact O-N 2.88Å; T230-K234 WeakPolarHBondContact O-CG 3.22Å; T230-K234 PolarHBondContact O-N 3.35Å |
| 231 | G | 65.1 | Low | 67.3 | Low | 36 Ų | 36 | 104 Ų | 104 | 37% | 0.371 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -48.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H227 T228 L229 Q233 K234 Q235 | H227-G231 PolarHBondContact O-N 3.35Å; T228-G231 PolarHBondContact O-N 3.23Å; L229-G231 VanDerWaalsContact C-N 3.35Å; G231-Q233 PolarHBondContact O-N 2.94Å; G231-K234 PolarHBondContact O-N 3.28Å; G231-Q235 PolarHBondContact O-N 3.48Å |
| 232 | I | 59.8 | Low | 65.2 | Low | 83 Ų | 83 | 107.2 Ų | 107.2 | 43% | 0.426 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.2 | -44.8 | 178.9 | -68.4 | 164.7 | 0 | 0 | 0 | 111.1 | T228 L229 K234 Q235 L236 | T228-I232 HydrophobicContact CG2-CD1 3.89Å; T228-I232 VanDerWaalsContact O-CG1 3.31Å; T228-I232 WeakPolarHBondContact O-CG1 3.46Å; T228-I232 PolarHBondContact O-N 3.3Å; L229-I232 PolarHBondContact O-N 3.14Å; I232-K234 PolarHBondContact O-N 2.94Å; I232-Q235 PolarHBondContact O-N 3.03Å; I232-L236 HydrophobicContact CG2-CD1 3.85Å; I232-L236 HydrophobicContact CG2-CG 4.35Å; I232-L236 WeakPolarHBondContact O-CG 3.43Å; I232-L236 PolarHBondContact O-N 3.48Å |
| 233 | Q | 60.4 | Low | 63.1 | Low | 137 Ų | 137 | 107.1 Ų | 107.1 | 64% | 0.64 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.7 | -45.6 | 175.4 | -81.9 | -168 | -10.7 | 0 | 0 | 112.5 | L229 G231 Q235 L236 V237 | L229-Q233 PolarHBondContact O-N 3.23Å; G231-Q233 PolarHBondContact O-N 2.94Å; Q233-Q235 VanDerWaalsContact C-N 3.33Å; Q233-Q235 PolarHBondContact O-N 3.37Å; Q233-L236 PolarHBondContact O-N 3.02Å; Q233-V237 WeakPolarHBondContact O-CG2 3.49Å; Q233-V237 PolarHBondContact O-N 3.46Å |
| 234 | K | 57.8 | Low | 60.8 | Low | 153 Ų | 153 | 106.2 Ų | 106.2 | 67% | 0.665 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.4 | -42.2 | 177.1 | -75.3 | 178.5 | 177.2 | -175.9 | 0 | 111.7 | T230 G231 I232 V237 S238 | T230-K234 WeakPolarHBondContact O-CG 3.22Å; T230-K234 PolarHBondContact O-N 3.35Å; G231-K234 PolarHBondContact O-N 3.28Å; I232-K234 PolarHBondContact O-N 2.94Å; K234-V237 PolarHBondContact O-N 3.46Å; K234-S238 WeakPolarHBondContact O-CB 3.33Å; K234-S238 PolarHBondContact O-N 2.94Å; K234-S238 PolarHBondContact O-OG 2.79Å |
| 235 | Q | 54.8 | Low | 58.9 | Low | 134 Ų | 134 | 108.7 Ų | 108.7 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.6 | -41.8 | 177.9 | -166.4 | 170 | 10.3 | 0 | 0 | 112.1 | G231 I232 Q233 S238 S239 | G231-Q235 PolarHBondContact O-N 3.48Å; I232-Q235 PolarHBondContact O-N 3.03Å; Q233-Q235 VanDerWaalsContact C-N 3.33Å; Q233-Q235 PolarHBondContact O-N 3.37Å; Q235-S238 PolarHBondContact O-N 3.25Å; Q235-S239 VanDerWaalsContact O-CB 3.22Å; Q235-S239 WeakPolarHBondContact O-CB 3.41Å; Q235-S239 PolarHBondContact O-N 2.93Å; Q235-S239 PolarHBondContact O-OG 2.65Å |
| 236 | L | 54.6 | Low | 56.9 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.3 | -38.5 | 177 | -71.7 | 170.5 | 0 | 0 | 0 | 113 | I232 Q233 | I232-L236 HydrophobicContact CG2-CD1 3.85Å; I232-L236 HydrophobicContact CG2-CG 4.35Å; I232-L236 WeakPolarHBondContact O-CG 3.43Å; I232-L236 PolarHBondContact O-N 3.48Å; Q233-L236 PolarHBondContact O-N 3.02Å |
| 237 | V | 56.9 | Low | 55.4 | Low | 128 Ų | 128 | 111.1 Ų | 111.1 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.8 | -29.8 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | Q233 K234 | Q233-V237 WeakPolarHBondContact O-CG2 3.49Å; Q233-V237 PolarHBondContact O-N 3.46Å; K234-V237 PolarHBondContact O-N 3.46Å |
| 238 | S | 53.4 | Low | 54.3 | Low | 103 Ų | 103 | 111 Ų | 111 | 72% | 0.72 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -87.7 | -19.1 | 177.9 | -62 | 0 | 0 | 0 | 0 | 114.9 | K234 Q235 G240 | K234-S238 WeakPolarHBondContact O-CB 3.33Å; K234-S238 PolarHBondContact O-N 2.94Å; K234-S238 PolarHBondContact O-OG 2.79Å; Q235-S238 PolarHBondContact O-N 3.25Å; S238-G240 PolarHBondContact O-N 3.32Å |
| 239 | S | 47.6 | Very low | 53.2 | Low | 76 Ų | 76 | 112.5 Ų | 112.5 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | | | trans | -84.9 | 42.4 | -177.8 | -56 | 0 | 0 | 0 | 0 | 113.1 | Q235 S241 | Q235-S239 VanDerWaalsContact O-CB 3.22Å; Q235-S239 WeakPolarHBondContact O-CB 3.41Å; Q235-S239 PolarHBondContact O-N 2.93Å; Q235-S239 PolarHBondContact O-OG 2.65Å; S239-S241 PolarHBondContact O-N 3.19Å |
| 240 | G | 42.7 | Very low | 52.3 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | | | trans | -75 | 23.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | S238 | S238-G240 PolarHBondContact O-N 3.32Š|
| 241 | S | 41.8 | Very low | 51.1 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -171.6 | 158.4 | 168.1 | -85.4 | 0 | 0 | 0 | 0 | 113.6 | S239 | S239-S241 PolarHBondContact O-N 3.19Š|
| 242 | H | 46.9 | Very low | 50.4 | Low | 172 Ų | 172 | 125.7 Ų | 125.7 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | | | trans | 79.8 | 120.9 | 163.8 | -44 | -58.5 | 0 | 0 | 0 | 119.8 | | |
| 243 | S | 44.3 | Very low | 49.6 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | | | trans | 53.2 | 101.9 | 145.3 | 55.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 244 | S | 40 | Very low | 48.9 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | | 34.1 | 131.1 | 124.6 | 61 | 0 | 0 | 0 | 0 | 121.4 | | |
| 245 | N | 44 | Very low | 48.6 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | | | trans | 72.8 | 66.5 | 152.3 | -58.7 | -8.1 | 0 | 0 | 0 | 118.9 | | |
| 246 | S | 42.9 | Very low | 48 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | | | trans | -158.6 | 82.8 | 144.3 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | N248 | S246-N248 PolarHBondContact O-N 2.93Š|
| 247 | F | 51.7 | Low | 47.3 | Very low | 216 Ų | 216 | 128.3 Ų | 128.3 | 95% | 0.947 | 74% | 0.74 | S | S | * | * | | | trans | -75.5 | 107.9 | 153.3 | -97.6 | -87.8 | 0 | 0 | 0 | 107.7 | P249 | F247-P249 WeakPolarHBondContact O-CD 3.39Š|
| 248 | N | 54.5 | Low | 46.9 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | | | trans | -100.1 | 95.1 | 176.8 | -93.1 | -59.3 | 0 | 0 | 0 | 110.5 | S246 L250 | S246-N248 PolarHBondContact O-N 2.93Å; N248-L250 PolarHBondContact O-N 2.97Å |
| 249 | P | 53 | Low | 46.4 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | | | trans | -73.4 | 109.4 | 168.2 | 30.3 | -32.8 | 0 | 0 | 0 | 109.8 | F247 N251 | F247-P249 WeakPolarHBondContact O-CD 3.39Å; P249-N251 PolarHBondContact O-N 3.45Å |
| 250 | L | 55.4 | Low | 46.7 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | 40 | 74.1 | 160.1 | -59.7 | 175.7 | 0 | 0 | 0 | 115.3 | N248 F252 | N248-L250 PolarHBondContact O-N 2.97Å; L250-F252 HydrophobicContact CB-CD2 4.43Å; L250-F252 HydrophobicContact CB-CE2 4.18Å; L250-F252 WeakPolarHBondContact O-CD2 3.39Å; L250-F252 PolarHBondContact O-N 3.44Å |
| 251 | N | 44.8 | Very low | 47.1 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | | | trans | -67.9 | 89.9 | 174.5 | -174.1 | -4.3 | 0 | 0 | 0 | 111.3 | P249 S253 | P249-N251 PolarHBondContact O-N 3.45Å; N251-S253 PolarHBondContact O-N 3.28Å; N251-S253 PolarHBondContact OD1-N 2.99Å |
| 252 | F | 50.7 | Low | 47.4 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | -71.1 | 82.2 | 161.8 | -72.9 | -84.2 | 0 | 0 | 0 | 109 | L250 S254 | L250-F252 HydrophobicContact CB-CD2 4.43Å; L250-F252 HydrophobicContact CB-CE2 4.18Å; L250-F252 WeakPolarHBondContact O-CD2 3.39Å; L250-F252 PolarHBondContact O-N 3.44Å; F252-S254 PolarHBondContact O-N 3.42Å |
| 253 | S | 44.3 | Very low | 47.8 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 54% | 0.538 | 76% | 0.764 | S | S | . | * | | | trans | -62 | 96.3 | 177.9 | 42.8 | 0 | 0 | 0 | 0 | 110.6 | N251 F255 | N251-S253 PolarHBondContact O-N 3.28Å; N251-S253 PolarHBondContact OD1-N 2.99Å; S253-F255 PolarHBondContact O-N 3.22Å; S253-F255 VanDerWaalsContact O-N 3.16Å |
| 254 | S | 45.2 | Very low | 47.9 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -61.4 | 118 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | F252 S256 | F252-S254 PolarHBondContact O-N 3.42Å; S254-S256 PolarHBondContact O-N 3.02Å |
| 255 | F | 51.4 | Low | 48.7 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | | | trans | -64.4 | 132.8 | -172.5 | -68.2 | -96 | 0 | 0 | 0 | 111.9 | S253 | S253-F255 PolarHBondContact O-N 3.22Å; S253-F255 VanDerWaalsContact O-N 3.16Å |
| 256 | S | 42.3 | Very low | 49.3 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | 59.8 | 75.3 | 157.5 | -54.1 | 0 | 0 | 0 | 0 | 118 | S254 S258 | S254-S256 PolarHBondContact O-N 3.02Å; S256-S258 PolarHBondContact O-N 3.03Å |
| 257 | Q | 40.2 | Very low | 50 | Low | 208 Ų | 208 | 147 Ų | 147 | 97% | 0.972 | 77% | 0.772 | S | S | * | * | | | trans | -79.9 | 97.1 | 138.6 | -75.2 | -166.7 | 0.1 | 0 | 0 | 108.8 | | |
| 258 | S | 47.9 | Very low | 50.7 | Low | 88 Ų | 88 | 142.4 Ų | 142.4 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | trans | -126.5 | 104.2 | -179.3 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | S256 | S256-S258 PolarHBondContact O-N 3.03Š|
| 259 | N | 41.9 | Very low | 51.1 | Low | 165 Ų | 165 | 142.8 Ų | 142.8 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | trans | 29.5 | 107.5 | 158.3 | -70.6 | -48.4 | 0 | 0 | 0 | 118.8 | | |
| 260 | I | 55.6 | Low | 51.4 | Low | 162 Ų | 162 | 146.3 Ų | 146.3 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -128.7 | 92.1 | 155.5 | -23.9 | 178.4 | 0 | 0 | 0 | 110.7 | | |
| 261 | N | 49.9 | Very low | 51.5 | Low | 135 Ų | 135 | 150 Ų | 150 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | 21.9 | 109.2 | 154.5 | -59.2 | -79 | 0 | 0 | 0 | 118.9 | K263 | N261-K263 PolarHBondContact O-N 3.02Š|
| 262 | Q | 49.3 | Very low | 51.9 | Low | 203 Ų | 203 | 151.1 Ų | 151.1 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | | | trans | -68.6 | 115.2 | 145.6 | -66.5 | -173.4 | 19.7 | 0 | 0 | 108.4 | | |
| 263 | K | 54.4 | Low | 51.9 | Low | 145 Ų | 145 | 149.7 Ų | 149.7 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | | | trans | -155.3 | 134.2 | 171.5 | -141.9 | 176.1 | -179.3 | -167.4 | 0 | 112.2 | N261 | N261-K263 PolarHBondContact O-N 3.02Š|
| 264 | Y | 45.8 | Very low | 52.4 | Low | 190 Ų | 190 | 153.7 Ų | 153.7 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | | | trans | 66.6 | 114 | 176.2 | -47.5 | -73.3 | 0 | 0 | 0 | 117.2 | | |
| 265 | T | 57.6 | Low | 52.8 | Low | 124 Ų | 124 | 155.8 Ų | 155.8 | 76% | 0.761 | 82% | 0.819 | S | S | * | * | | | | -172.4 | 151.1 | 120.7 | -78.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 266 | N | 56 | Low | 52.9 | Low | 145 Ų | 145 | 153.7 Ų | 153.7 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | | | trans | 66.8 | 97 | 177 | -61.1 | -20.2 | 0 | 0 | 0 | 118.5 | | |
| 267 | P | 58.2 | Low | 53.6 | Low | 130 Ų | 130 | 157.3 Ų | 157.3 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | | | trans | -89.4 | 128.8 | 146 | 34.2 | -26.5 | 0 | 0 | 0 | 110.5 | | |
| 268 | S | 66.5 | Low | 54.5 | Low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | -159.9 | 127.9 | 159.7 | -165.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 269 | T | 62.7 | Low | 55 | Low | 134 Ų | 134 | 158.8 Ų | 158.8 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | | | trans | -118.1 | 126 | -179.2 | -48.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 270 | F | 58.6 | Low | 56.1 | Low | 190 Ų | 190 | 158.3 Ų | 158.3 | 83% | 0.833 | 83% | 0.828 | S | S | * | * | | | trans | -156.7 | 134.7 | 164.1 | -132.2 | -84.1 | 0 | 0 | 0 | 111.2 | | |
| 271 | N | 59.1 | Low | 56.2 | Low | 222 Ų | 222 | 157.9 Ų | 157.9 | 100% | 1.187 | 83% | 0.827 | S | S | * | * | | | trans | 63.1 | 0 | -172.4 | -59.8 | -16.7 | 0 | 0 | 0 | 115.3 | | |