| 1 | M | 47.3 | Very low | 57.3 | Low | 241 Ų | 241 | 147.2 Ų | 147.2 | 100% | 1.187 | 86% | 0.86 | S | S | * | * | | | | 0 | 121.5 | 0 | -65 | -144.4 | 75.3 | 0 | 0 | 109 | | |
| 2 | S | 47.5 | Very low | 57.6 | Low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 86% | 0.863 | S | S | * | * | | | trans | 179.9 | 101.6 | 144.8 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 3 | L | 55.8 | Low | 57 | Low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 86% | 0.863 | S | S | * | * | | | trans | -80.3 | 114.9 | 173.3 | -68.7 | 170 | 0 | 0 | 0 | 107.6 | K5 | L3-K5 PolarHBondContact O-N 3.36Š|
| 4 | G | 57.3 | Low | 56.4 | Low | 74 Ų | 74 | 146.8 Ų | 146.8 | 76% | 0.763 | 86% | 0.862 | S | S | * | * | | | trans | -62 | 123.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L6 | G4-L6 PolarHBondContact O-N 3.41Š|
| 5 | K | 64.1 | Low | 55.8 | Low | 205 Ų | 205 | 141 Ų | 141 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | | | trans | -76.5 | 111.2 | 175.9 | -69.5 | 163.1 | 177.5 | 172 | 0 | 108.9 | L3 | L3-K5 PolarHBondContact O-N 3.36Š|
| 6 | L | 64.9 | Low | 55.9 | Low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.6 | 164.7 | -70 | 172.7 | 0 | 0 | 0 | 108.8 | G4 G8 | G4-L6 PolarHBondContact O-N 3.41Å; L6-G8 PolarHBondContact O-N 3.43Å |
| 7 | P | 57.1 | Low | 55.7 | Low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129.7 | 171.8 | 20 | -23.9 | 0 | 0 | 0 | 110.6 | | |
| 8 | G | 53.6 | Low | 55.5 | Low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L6 K10 | L6-G8 PolarHBondContact O-N 3.43Å; G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 2.92Å |
| 9 | I | 63.6 | Low | 55.5 | Low | 180 Ų | 180 | 142.2 Ų | 142.2 | 92% | 0.923 | 84% | 0.84 | S | S | * | * | | | trans | -60.8 | 85.8 | 151.6 | 45.9 | 158.6 | 0 | 0 | 0 | 109.6 | | |
| 10 | K | 59.7 | Low | 55.8 | Low | 202 Ų | 202 | 146.3 Ų | 146.3 | 88% | 0.878 | 84% | 0.84 | S | S | * | * | | | trans | -122 | 92.8 | 168 | -63.9 | -170.9 | -177.8 | -165.2 | 0 | 107.8 | G8 | G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 2.92Å |
| 11 | G | 59.2 | Low | 56 | Low | 74 Ų | 74 | 150.2 Ų | 150.2 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | | | trans | -173.5 | 9.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 12 | L | 60.6 | Low | 56.5 | Low | 172 Ų | 172 | 148.3 Ų | 148.3 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -106.6 | 119.7 | 171.5 | -60.4 | 179.3 | 0 | 0 | 0 | 107.2 | | |
| 13 | V | 50.2 | Low | 57.4 | Low | 142 Ų | 142 | 150.8 Ų | 150.8 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | | | trans | 78 | 108.9 | -179.6 | 160.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 14 | S | 48.3 | Very low | 58 | Low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | | 176.4 | 125.4 | 99.7 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 15 | G | 47.7 | Very low | 59.1 | Low | 60 Ų | 60 | 150.2 Ų | 150.2 | 62% | 0.619 | 81% | 0.809 | S | S | * | * | | | trans | 165.5 | 39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q17 | G15-Q17 PolarHBondContact O-N 3.14Š|
| 16 | S | 57 | Low | 60.1 | Low | 121 Ų | 121 | 145.9 Ų | 145.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -68.8 | 79.4 | 157.5 | 56.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 17 | Q | 53.4 | Low | 61.1 | Low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -121.1 | 112.7 | 174 | -74.1 | -65.8 | -24.1 | 0 | 0 | 108.6 | G15 | G15-Q17 PolarHBondContact O-N 3.14Š|
| 18 | G | 51.8 | Low | 62.7 | Low | 56 Ų | 56 | 140.2 Ų | 140.2 | 58% | 0.577 | 77% | 0.767 | S | S | * | * | | | trans | 89.6 | 88.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R20 | G18-R20 PolarHBondContact O-N 3.24Š|
| 19 | K | 55.4 | Low | 64.4 | Low | 231 Ų | 231 | 144.7 Ų | 144.7 | 100% | 1.004 | 78% | 0.777 | S | S | * | * | | | trans | -58 | 71.6 | 134.4 | -79 | -177.4 | 171.2 | 176.8 | 0 | 108.2 | | |
| 20 | R | 60.9 | Low | 65.8 | Low | 224 Ų | 224 | 141.5 Ų | 141.5 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -115.1 | 95.7 | 169.7 | -161 | 178.9 | 175.3 | -157.7 | -2.6 | 103.9 | G18 F22 | G18-R20 PolarHBondContact O-N 3.24Å; R20-F22 PolarHBondContact O-N 3.14Å |
| 21 | R | 60.3 | Low | 67.3 | Low | 228 Ų | 228 | 136.7 Ų | 136.7 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | 11.1 | 98.7 | 168.9 | -56.4 | -174.5 | -173 | -177.4 | 2.1 | 111.2 | K23 | R21-K23 PolarHBondContact O-N 3.46Š|
| 22 | F | 59.1 | Low | 68.8 | Low | 202 Ų | 202 | 136.7 Ų | 136.7 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | | | trans | -56.4 | 86.7 | 158.7 | -81.1 | -87.8 | 0 | 0 | 0 | 105.5 | R20 S24 | R20-F22 PolarHBondContact O-N 3.14Å; F22-S24 PolarHBondContact O-N 2.91Å |
| 23 | K | 64.7 | Low | 70.2 | Confident | 173 Ų | 173 | 133.2 Ų | 133.2 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | | | trans | -60.7 | 90.3 | 149.9 | -70.8 | -172 | 170.9 | -169.1 | 0 | 101.4 | R21 D25 | R21-K23 PolarHBondContact O-N 3.46Å; K23-D25 PolarHBondContact O-N 2.84Å |
| 24 | S | 69.4 | Low | 72.1 | Confident | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | | | trans | -60.6 | 95.9 | 167 | 49.7 | 0 | 0 | 0 | 0 | 103.8 | F22 L26 | F22-S24 PolarHBondContact O-N 2.91Å; S24-L26 PolarHBondContact O-N 2.89Å |
| 25 | D | 80.1 | Confident | 73.9 | Confident | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | | | trans | -54.2 | 110.7 | 175.5 | -71.7 | -32.1 | 0 | 0 | 0 | 106 | K23 S27 M30 | K23-D25 PolarHBondContact O-N 2.84Å; D25-S27 PolarHBondContact O-N 2.98Å; D25-M30 VanDerWaalsContact O-CE 3.25Å; D25-M30 WeakPolarHBondContact O-CE 3.43Å |
| 26 | L | 84.9 | Confident | 75.9 | Confident | 114 Ų | 114 | 132.2 Ų | 132.2 | 60% | 0.597 | 70% | 0.699 | S | S | * | * | | | trans | -77.9 | 95.4 | -173.4 | -154.7 | 116.9 | 0 | 0 | 0 | 106.7 | S24 M30 I31 | S24-L26 PolarHBondContact O-N 2.89Å; L26-M30 VanDerWaalsContact CA-CE 3.49Å; L26-M30 HydrophobicContact CB-CE 4.47Å; L26-M30 HydrophobicContact CG-CE 4.26Å; L26-I31 HydrophobicContact CD2-CD1 3.66Å; L26-I31 HydrophobicContact CD2-CG1 3.34Å |
| 27 | S | 87.1 | Confident | 77.5 | Confident | 55 Ų | 55 | 132.3 Ų | 132.3 | 39% | 0.385 | 69% | 0.689 | S | S | . | * | | | trans | -65.4 | 149.3 | 176 | 65.5 | 0 | 0 | 0 | 0 | 110.1 | D25 D29 M30 | D25-S27 PolarHBondContact O-N 2.98Å; S27-D29 PolarHBondContact O-N 3.01Å; S27-D29 VanDerWaalsContact O-N 3.14Å; S27-M30 WeakPolarHBondContact O-CB 3.46Å; S27-M30 PolarHBondContact O-N 3.27Å |
| 28 | V | 90.3 | Very high | 79.1 | Confident | 119 Ų | 119 | 132.7 Ų | 132.7 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -55.8 | -32.5 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | M30 I31 | V28-M30 PolarHBondContact O-N 2.93Å; V28-I31 WeakPolarHBondContact O-CB 3.25Å; V28-I31 PolarHBondContact O-N 3Å |
| 29 | D | 88.8 | Confident | 80.8 | Confident | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -67.8 | -18.7 | 178.2 | -55.1 | -34.7 | 0 | 0 | 0 | 113.7 | S27 I31 | S27-D29 PolarHBondContact O-N 3.01Å; S27-D29 VanDerWaalsContact O-N 3.14Å; D29-I31 VanDerWaalsContact C-N 3.33Å |
| 30 | M | 93.4 | Very high | 82.5 | Confident | 114 Ų | 114 | 138 Ų | 138 | 56% | 0.562 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -86 | -6.8 | 172.3 | -65.6 | -168.4 | -68.6 | 0 | 0 | 112.6 | D25 L26 S27 V28 | D25-M30 VanDerWaalsContact O-CE 3.25Å; D25-M30 WeakPolarHBondContact O-CE 3.43Å; L26-M30 VanDerWaalsContact CA-CE 3.49Å; L26-M30 HydrophobicContact CB-CE 4.47Å; L26-M30 HydrophobicContact CG-CE 4.26Å; S27-M30 WeakPolarHBondContact O-CB 3.46Å; S27-M30 PolarHBondContact O-N 3.27Å; V28-M30 PolarHBondContact O-N 2.93Å |
| 31 | I | 89.9 | Confident | 83.8 | Confident | 101 Ų | 101 | 130.9 Ų | 130.9 | 52% | 0.518 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -97.8 | 112.2 | 174.1 | -54.3 | 174.8 | 0 | 0 | 0 | 107.9 | L26 V28 D29 | L26-I31 HydrophobicContact CD2-CD1 3.66Å; L26-I31 HydrophobicContact CD2-CG1 3.34Å; V28-I31 WeakPolarHBondContact O-CB 3.25Å; V28-I31 PolarHBondContact O-N 3Å; D29-I31 VanDerWaalsContact C-N 3.33Å |
| 32 | S | 90.8 | Very high | 85.2 | Confident | 73 Ų | 73 | 122 Ų | 122 | 51% | 0.51 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -66 | 149.5 | 172.6 | 59.4 | 0 | 0 | 0 | 0 | 111 | | |
| 33 | P | 91.3 | Very high | 86.7 | Confident | 100 Ų | 100 | 118.2 Ų | 118.2 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 160.5 | 166.2 | 25.8 | -34 | 0 | 0 | 0 | 110.9 | L35 | P33-L35 PolarHBondContact O-N 3.13Š|
| 34 | P | 89.1 | Confident | 87.9 | Confident | 121 Ų | 121 | 112.7 Ų | 112.7 | 79% | 0.786 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 127.2 | 178.7 | 21.8 | -33.3 | 0 | 0 | 0 | 110.3 | G36 | P34-G36 PolarHBondContact O-N 3.09Š|
| 35 | L | 87.3 | Confident | 88.6 | Confident | 146 Ų | 146 | 109.2 Ų | 109.2 | 76% | 0.764 | 59% | 0.587 | S | S | * | * | | | trans | -75.8 | 7.2 | -170.9 | -61.2 | 179.9 | 0 | 0 | 0 | 113.6 | P33 D37 | P33-L35 PolarHBondContact O-N 3.13Å; L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 2.83Å |
| 36 | G | 89.4 | Confident | 88.7 | Confident | 36 Ų | 36 | 115.2 Ų | 115.2 | 37% | 0.371 | 60% | 0.6 | S | S | . | * | | | trans | 69.2 | 28.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P34 F38 | P34-G36 PolarHBondContact O-N 3.09Å; G36-F38 VanDerWaalsContact CA-CE2 3.44Å; G36-F38 VanDerWaalsContact O-CD2 3.23Å; G36-F38 WeakPolarHBondContact O-CD2 3.23Å; G36-F38 PolarHBondContact O-N 3.47Å |
| 37 | D | 89.5 | Confident | 88.6 | Confident | 122 Ų | 122 | 113.1 Ų | 113.1 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | | | trans | -71.7 | 62.7 | 167.8 | 65.7 | -39 | 0 | 0 | 0 | 110.3 | L35 R39 | L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 2.83Å; D37-R39 PolarHBondContact O-N 3.43Å |
| 38 | F | 87.9 | Confident | 88.4 | Confident | 187 Ų | 187 | 111.1 Ų | 111.1 | 82% | 0.82 | 59% | 0.593 | S | S | * | * | | | trans | -72.4 | 99.4 | 179.2 | -66.5 | -74.4 | 0 | 0 | 0 | 109.6 | G36 | G36-F38 VanDerWaalsContact CA-CE2 3.44Å; G36-F38 VanDerWaalsContact O-CD2 3.23Å; G36-F38 WeakPolarHBondContact O-CD2 3.23Å; G36-F38 PolarHBondContact O-N 3.47Å |
| 39 | R | 88.4 | Confident | 88.1 | Confident | 208 Ų | 208 | 111.1 Ų | 111.1 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | | | trans | -101.2 | 121.9 | 173 | -61.1 | 176.8 | 68 | -157.5 | -0.5 | 108 | D37 T41 | D37-R39 PolarHBondContact O-N 3.43Å; R39-T41 PolarHBondContact O-N 2.64Å |
| 40 | H | 90.2 | Very high | 87.9 | Confident | 192 Ų | 192 | 105.5 Ų | 105.5 | 89% | 0.889 | 56% | 0.56 | S | S | * | * | | | trans | -69.3 | 104.4 | 170 | -69.8 | -64.6 | 0 | 0 | 0 | 108.8 | | |
| 41 | T | 88.9 | Confident | 87.5 | Confident | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.454 | 57% | 0.568 | S | S | . | * | | | trans | -91.8 | -21.5 | 177.8 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | R39 G52 D53 | R39-T41 PolarHBondContact O-N 2.64Å; T41-G52 CarbonylContact O-C 3.48Å; T41-G52 WeakPolarHBondContact O-CA 3.45Å; T41-D53 PolarHBondContact O-N 3.24Å |
| 42 | M | 89.4 | Confident | 87.5 | Confident | 40 Ų | 40 | 105.1 Ų | 105.1 | 20% | 0.197 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.4 | -172.1 | -178.5 | -176.5 | -61.7 | 0 | 0 | 111.8 | V44 V50 F51 D53 T54 F56 L57 F81 | M42-V44 HydrophobicContact CG-CG2 4.3Å; M42-V44 HydrophobicContact SD-CG2 4.06Å; M42-V50 HydrophobicContact CE-CG1 4.14Å; M42-V50 HydrophobicContact CG-CG1 3.52Å; M42-V50 HydrophobicContact SD-CG1 3.36Å; M42-V50 WeakPolarHBondContact SD-CG1 3.33Å; M42-F51 CarbonylContact C-O 3.55Å; M42-F51 WeakPolarHBondContact CA-O 3.4Å; M42-D53 WeakPolarHBondContact CE-O 3.43Å; M42-T54 VanDerWaalsContact CE-CA 3.48Å; M42-T54 HydrophobicContact CE-CG2 3.34Å; M42-T54 HydrophobicContact SD-CG2 4.37Å; M42-F56 HydrophobicContact CE-CE1 3.45Å; M42-F56 VanDerWaalsContact CE-CE1 3.45Å; M42-F56 HydrophobicContact CE-CZ 3.5Å; M42-F56 VanDerWaalsContact CE-CZ 3.5Å; M42-F56 HydrophobicContact SD-CZ 4.33Å; M42-L57 HydrophobicContact CE-CD1 3.94Å; M42-F81 HydrophobicContact CE-CZ 4.44Å; M42-F81 HydrophobicContact SD-CE2 3.93Å; M42-F81 HydrophobicContact SD-CZ 3.66Å |
| 43 | H | 90.4 | Very high | 87.4 | Confident | 123 Ų | 123 | 105.6 Ų | 105.6 | 57% | 0.569 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.7 | 167.7 | 176.9 | 75.4 | 0 | 0 | 0 | 109.8 | V50 F51 | H43-V50 VanDerWaalsContact O-CA 3.31Å; H43-V50 WeakPolarHBondContact O-CA 3.22Å; H43-F51 PolarHBondContact N-O 3.43Å; H43-F51 PolarHBondContact O-N 2.74Å |
| 44 | V | 88.9 | Confident | 87 | Confident | 57 Ų | 57 | 103 Ų | 103 | 35% | 0.345 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 111.3 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | M42 D49 V50 F81 F85 | M42-V44 HydrophobicContact CG-CG2 4.3Å; M42-V44 HydrophobicContact SD-CG2 4.06Å; V44-D49 CarbonylContact C-O 3.54Å; V44-D49 WeakPolarHBondContact CA-O 3.11Å; V44-V50 HydrophobicContact CB-CG2 4.41Å; V44-V50 HydrophobicContact CG1-CG2 4.1Å; V44-V50 HydrophobicContact CG2-CG1 4.29Å; V44-V50 HydrophobicContact CG2-CG2 4Å; V44-F81 HydrophobicContact CG2-CD1 4.29Å; V44-F81 HydrophobicContact CG2-CE1 4.28Å; V44-F85 HydrophobicContact CG1-CE2 4.44Å |
| 45 | G | 84.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 100.3 Ų | 100.3 | 19% | 0.186 | 53% | 0.527 | C | S | . | . | | | trans | -75.9 | 160.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | G47 G48 D49 | G45-G47 PolarHBondContact O-N 2.87Å; G45-G48 PolarHBondContact O-N 3.04Å; G45-D49 PolarHBondContact N-O 3.2Å |
| 46 | R | 83 | Confident | 86.3 | Confident | 265 Ų | 265 | 97.8 Ų | 97.8 | 100% | 1 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.7 | -179.9 | -83.8 | -179.2 | 152.1 | 96.1 | -1.5 | 115 | | |
| 47 | G | 81.9 | Confident | 85.7 | Confident | 69 Ų | 69 | 98 Ų | 98 | 71% | 0.711 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G45 | G45-G47 PolarHBondContact O-N 2.87Š|
| 48 | G | 82.8 | Confident | 84.9 | Confident | 13 Ų | 13 | 96.3 Ų | 96.3 | 13% | 0.134 | 50% | 0.5 | C | S | . | . | S | Bend | trans | 74.7 | 13.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G45 | G45-G48 PolarHBondContact O-N 3.04Š|
| 49 | D | 84 | Confident | 84.1 | Confident | 120 Ų | 120 | 94 Ų | 94 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | | | trans | -70.1 | 137.8 | 167.1 | -175 | 22.9 | 0 | 0 | 0 | 109.1 | V44 G45 | V44-D49 CarbonylContact C-O 3.54Å; V44-D49 WeakPolarHBondContact CA-O 3.11Å; G45-D49 PolarHBondContact N-O 3.2Å |
| 50 | V | 85.1 | Confident | 83.1 | Confident | 37 Ų | 37 | 93.2 Ų | 93.2 | 22% | 0.224 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.9 | -173.8 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | M42 H43 V44 T54 F81 | M42-V50 HydrophobicContact CE-CG1 4.14Å; M42-V50 HydrophobicContact CG-CG1 3.52Å; M42-V50 HydrophobicContact SD-CG1 3.36Å; M42-V50 WeakPolarHBondContact SD-CG1 3.33Å; H43-V50 VanDerWaalsContact O-CA 3.31Å; H43-V50 WeakPolarHBondContact O-CA 3.22Å; V44-V50 HydrophobicContact CB-CG2 4.41Å; V44-V50 HydrophobicContact CG1-CG2 4.1Å; V44-V50 HydrophobicContact CG2-CG1 4.29Å; V44-V50 HydrophobicContact CG2-CG2 4Å; V50-T54 HydrophobicContact CG1-CG2 3.86Å; V50-F81 HydrophobicContact CB-CD2 4.47Å; V50-F81 HydrophobicContact CG1-CD2 4.42Å; V50-F81 HydrophobicContact CG1-CE2 4.19Å; V50-F81 HydrophobicContact CG2-CB 3.97Å; V50-F81 HydrophobicContact CG2-CD2 3.57Å; V50-F81 HydrophobicContact CG2-CE2 4.15Å; V50-F81 HydrophobicContact CG2-CG 3.88Å |
| 51 | F | 84.3 | Confident | 81.7 | Confident | 166 Ų | 166 | 87.1 Ų | 87.1 | 73% | 0.728 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.9 | 177.6 | -172.9 | -95.7 | 0 | 0 | 0 | 110.4 | M42 H43 | M42-F51 CarbonylContact C-O 3.55Å; M42-F51 WeakPolarHBondContact CA-O 3.4Å; H43-F51 PolarHBondContact N-O 3.43Å; H43-F51 PolarHBondContact O-N 2.74Å |
| 52 | G | 91 | Very high | 80 | Confident | 41 Ų | 41 | 86.4 Ų | 86.4 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.7 | -168.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T41 T54 | T41-G52 CarbonylContact O-C 3.48Å; T41-G52 WeakPolarHBondContact O-CA 3.45Å; G52-T54 PolarHBondContact O-N 3.34Å; G52-T54 VanDerWaalsContact O-N 3.14Å |
| 53 | D | 88.8 | Confident | 78.3 | Confident | 83 Ų | 83 | 92.8 Ų | 92.8 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | | | trans | -72.3 | 104.5 | -177.1 | -176 | 7.2 | 0 | 0 | 0 | 111 | T41 M42 S55 F56 | T41-D53 PolarHBondContact O-N 3.24Å; M42-D53 WeakPolarHBondContact CE-O 3.43Å; D53-S55 WeakPolarHBondContact OD1-CB 3.14Å; D53-S55 PolarHBondContact OD1-N 3.35Å; D53-S55 PolarHBondContact OD1-OG 2.81Å; D53-S55 PolarHBondContact OD2-OG 3.31Å; D53-F56 VanDerWaalsContact O-CE1 3.25Å; D53-F56 WeakPolarHBondContact O-CE1 3.25Å |
| 54 | T | 83.4 | Confident | 76.4 | Confident | 46 Ų | 46 | 97 Ų | 97 | 28% | 0.282 | 54% | 0.535 | S | S | . | . | | | trans | -98.5 | 6.6 | 174.5 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | M42 V50 G52 F56 L57 | M42-T54 VanDerWaalsContact CE-CA 3.48Å; M42-T54 HydrophobicContact CE-CG2 3.34Å; M42-T54 HydrophobicContact SD-CG2 4.37Å; V50-T54 HydrophobicContact CG1-CG2 3.86Å; G52-T54 PolarHBondContact O-N 3.34Å; G52-T54 VanDerWaalsContact O-N 3.14Å; T54-F56 PolarHBondContact O-N 2.97Å; T54-L57 WeakPolarHBondContact O-CB 3.1Å; T54-L57 PolarHBondContact O-N 3.32Å |
| 55 | S | 80.7 | Confident | 74.7 | Confident | 64 Ų | 64 | 101.9 Ų | 101.9 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.7 | -35.3 | -172.1 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | D53 L57 S58 | D53-S55 WeakPolarHBondContact OD1-CB 3.14Å; D53-S55 PolarHBondContact OD1-N 3.35Å; D53-S55 PolarHBondContact OD1-OG 2.81Å; D53-S55 PolarHBondContact OD2-OG 3.31Å; S55-L57 PolarHBondContact O-N 3.17Å; S55-L57 VanDerWaalsContact O-N 3.15Å; S55-S58 PolarHBondContact O-N 2.94Å; S55-S58 PolarHBondContact O-OG 2.98Å |
| 56 | F | 80.8 | Confident | 72.9 | Confident | 93 Ų | 93 | 107 Ų | 107 | 41% | 0.408 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.5 | -24.9 | 177.6 | 66.5 | -90.6 | 0 | 0 | 0 | 113.6 | M42 D53 T54 Y60 | M42-F56 HydrophobicContact CE-CE1 3.45Å; M42-F56 VanDerWaalsContact CE-CE1 3.45Å; M42-F56 HydrophobicContact CE-CZ 3.5Å; M42-F56 VanDerWaalsContact CE-CZ 3.5Å; M42-F56 HydrophobicContact SD-CZ 4.33Å; D53-F56 VanDerWaalsContact O-CE1 3.25Å; D53-F56 WeakPolarHBondContact O-CE1 3.25Å; T54-F56 PolarHBondContact O-N 2.97Å; F56-Y60 WeakPolarHBondContact O-CD2 3.45Å |
| 57 | L | 76.6 | Confident | 71.1 | Confident | 39 Ų | 39 | 97.2 Ų | 97.2 | 20% | 0.204 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -83 | -22.8 | -178.3 | -62.3 | 169.3 | 0 | 0 | 0 | 113.5 | M42 T54 S55 N59 Y60 G61 F81 | M42-L57 HydrophobicContact CE-CD1 3.94Å; T54-L57 WeakPolarHBondContact O-CB 3.1Å; T54-L57 PolarHBondContact O-N 3.32Å; S55-L57 PolarHBondContact O-N 3.17Å; S55-L57 VanDerWaalsContact O-N 3.15Å; L57-N59 PolarHBondContact O-N 3.27Å; L57-Y60 PolarHBondContact O-N 3.15Å; L57-Y60 VanDerWaalsContact O-N 3.17Å; L57-G61 PolarHBondContact O-N 2.98Å; L57-F81 HydrophobicContact CD1-CD2 4.35Å; L57-F81 HydrophobicContact CD1-CE2 3.15Å; L57-F81 HydrophobicContact CD1-CZ 3.33Å; L57-F81 HydrophobicContact CD2-CZ 4.33Å; L57-F81 HydrophobicContact CG-CZ 4.43Å |
| 58 | S | 71.8 | Confident | 69.2 | Low | 88 Ų | 88 | 99.1 Ų | 99.1 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.4 | -32.8 | 179.8 | 65.8 | 0 | 0 | 0 | 0 | 111 | S55 | S55-S58 PolarHBondContact O-N 2.94Å; S55-S58 PolarHBondContact O-OG 2.98Å |
| 59 | N | 71.3 | Confident | 67.7 | Low | 137 Ų | 137 | 103.9 Ų | 103.9 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -17 | -179.1 | -63.4 | -26 | 0 | 0 | 0 | 113.8 | L57 | L57-N59 PolarHBondContact O-N 3.27Š|
| 60 | Y | 67.3 | Low | 65.6 | Low | 192 Ų | 192 | 105.1 Ų | 105.1 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 10 | 178.7 | -61.5 | -81 | 0 | 0 | 0 | 113.1 | F56 L57 G62 | F56-Y60 WeakPolarHBondContact O-CD2 3.45Å; L57-Y60 PolarHBondContact O-N 3.15Å; L57-Y60 VanDerWaalsContact O-N 3.17Å; Y60-G62 VanDerWaalsContact C-N 3.27Å; Y60-G62 PolarHBondContact O-N 2.95Å |
| 61 | G | 60.7 | Low | 63.6 | Low | 64 Ų | 64 | 109.4 Ų | 109.4 | 66% | 0.66 | 64% | 0.635 | S | S | * | * | | | trans | -66 | 86.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L57 | L57-G61 PolarHBondContact O-N 2.98Š|
| 62 | G | 54.7 | Low | 61.6 | Low | 60 Ų | 60 | 106.8 Ų | 106.8 | 62% | 0.619 | 64% | 0.638 | S | S | * | * | | | trans | -46.6 | 152.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116 | Y60 R64 | Y60-G62 VanDerWaalsContact C-N 3.27Å; Y60-G62 PolarHBondContact O-N 2.95Å; G62-R64 PolarHBondContact O-N 2.81Å; G62-R64 VanDerWaalsContact O-N 3.09Å |
| 63 | I | 52.4 | Low | 59.4 | Low | 174 Ų | 174 | 110 Ų | 110 | 89% | 0.892 | 65% | 0.654 | S | S | * | * | | | trans | -26.9 | 112.8 | 163.2 | -79.1 | 146.1 | 0 | 0 | 0 | 110.5 | E65 | I63-E65 PolarHBondContact O-N 3.49Å; I63-E65 VanDerWaalsContact O-N 3.13Å |
| 64 | R | 51 | Low | 57.2 | Low | 210 Ų | 210 | 111.1 Ų | 111.1 | 79% | 0.792 | 67% | 0.668 | S | S | * | * | | | trans | -65.9 | 109.5 | 169 | -73.2 | -174.3 | 160.8 | -143 | -8.4 | 107.3 | G62 | G62-R64 PolarHBondContact O-N 2.81Å; G62-R64 VanDerWaalsContact O-N 3.09Å |
| 65 | E | 54 | Low | 55.4 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | | | trans | -69.1 | 124.1 | 161.9 | -146.6 | -91.9 | 158.2 | 0 | 0 | 106.9 | I63 G67 | I63-E65 PolarHBondContact O-N 3.49Å; I63-E65 VanDerWaalsContact O-N 3.13Å; E65-G67 PolarHBondContact O-N 2.94Å |
| 66 | P | 44.9 | Very low | 54.2 | Low | 125 Ų | 125 | 120.2 Ų | 120.2 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -80.2 | 85.8 | -171.3 | 31.8 | -32.6 | 0 | 0 | 0 | 109.7 | | |
| 67 | G | 45.4 | Very low | 53 | Low | 60 Ų | 60 | 119 Ų | 119 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | | | trans | -169.7 | 8.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | E65 | E65-G67 PolarHBondContact O-N 2.94Š|
| 68 | S | 42.9 | Very low | 51.9 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -124.7 | 104.1 | 179 | -168.5 | 0 | 0 | 0 | 0 | 112.4 | D70 | S68-D70 PolarHBondContact O-N 3.09Š|
| 69 | P | 50.7 | Low | 51.2 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | | | trans | -93.6 | 73.5 | -179.6 | 36.1 | -28.9 | 0 | 0 | 0 | 109.5 | | |
| 70 | D | 40.4 | Very low | 50.7 | Low | 146 Ų | 146 | 119.5 Ų | 119.5 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | | | trans | -163.3 | 76.6 | 168.7 | -85.3 | -35.3 | 0 | 0 | 0 | 109.9 | S68 | S68-D70 PolarHBondContact O-N 3.09Š|
| 71 | S | 43.3 | Very low | 50.4 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 88% | 0.881 | 69% | 0.688 | S | S | * | * | | | trans | -176.5 | 84.4 | 153.4 | -80.4 | 0 | 0 | 0 | 0 | 110 | | |
| 72 | S | 41.8 | Very low | 50.2 | Low | 111 Ų | 111 | 110.6 Ų | 110.6 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | | | trans | -64.8 | 127.9 | 164 | 48.9 | 0 | 0 | 0 | 0 | 111 | | |
| 73 | S | 45 | Very low | 50.4 | Low | 108 Ų | 108 | 116.6 Ų | 116.6 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 49.9 | 98.3 | 157.7 | 73 | 0 | 0 | 0 | 0 | 119.2 | | |
| 74 | S | 43.1 | Very low | 50.4 | Low | 108 Ų | 108 | 111.7 Ų | 111.7 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | S | Bend | | 164.6 | 131.1 | 112.7 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 75 | S | 45.3 | Very low | 50.5 | Low | 91 Ų | 91 | 107.9 Ų | 107.9 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | | | trans | 64.9 | 92.8 | 160.7 | -46.6 | 0 | 0 | 0 | 0 | 117.4 | S77 | S75-S77 PolarHBondContact O-N 3.14Š|
| 76 | K | 55 | Low | 50.6 | Low | 209 Ų | 209 | 106.9 Ų | 106.9 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 22.2 | -172.3 | -65.3 | 177.5 | 177 | 173.7 | 0 | 117.6 | | |
| 77 | S | 54.8 | Low | 51 | Low | 69 Ų | 69 | 107.4 Ų | 107.4 | 48% | 0.483 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.2 | -9.8 | 177.1 | 60.1 | 0 | 0 | 0 | 0 | 114.9 | S75 G79 | S75-S77 PolarHBondContact O-N 3.14Å; S77-G79 VanDerWaalsContact C-N 3.33Å; S77-G79 PolarHBondContact O-N 3.07Å |
| 78 | T | 54.9 | Low | 51.4 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -6.1 | -169.5 | -62.7 | 0 | 0 | 0 | 0 | 115.1 | T82 | T78-T82 HydrophobicContact CG2-CG2 4.01Å; T78-T82 WeakPolarHBondContact O-CG2 3.31Å; T78-T82 PolarHBondContact O-OG1 2.89Å |
| 79 | G | 56 | Low | 51.8 | Low | 57 Ų | 57 | 116 Ų | 116 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -22.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | S77 | S77-G79 VanDerWaalsContact C-N 3.33Å; S77-G79 PolarHBondContact O-N 3.07Å |
| 80 | F | 61.6 | Low | 51.8 | Low | 132 Ų | 132 | 119 Ų | 119 | 58% | 0.579 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -50.7 | -172.3 | -172.5 | -101.6 | 0 | 0 | 0 | 112.6 | | |
| 81 | F | 60.5 | Low | 52.1 | Low | 30 Ų | 30 | 118.8 Ų | 118.8 | 13% | 0.132 | 63% | 0.631 | C | S | . | * | H | α-helix | trans | -78.9 | -28.7 | -174 | -60.3 | -69.5 | 0 | 0 | 0 | 114 | M42 V44 V50 L57 R83 F85 | M42-F81 HydrophobicContact CE-CZ 4.44Å; M42-F81 HydrophobicContact SD-CE2 3.93Å; M42-F81 HydrophobicContact SD-CZ 3.66Å; V44-F81 HydrophobicContact CG2-CD1 4.29Å; V44-F81 HydrophobicContact CG2-CE1 4.28Å; V50-F81 HydrophobicContact CB-CD2 4.47Å; V50-F81 HydrophobicContact CG1-CD2 4.42Å; V50-F81 HydrophobicContact CG1-CE2 4.19Å; V50-F81 HydrophobicContact CG2-CB 3.97Å; V50-F81 HydrophobicContact CG2-CD2 3.57Å; V50-F81 HydrophobicContact CG2-CE2 4.15Å; V50-F81 HydrophobicContact CG2-CG 3.88Å; L57-F81 HydrophobicContact CD1-CD2 4.35Å; L57-F81 HydrophobicContact CD1-CE2 3.15Å; L57-F81 HydrophobicContact CD1-CZ 3.33Å; L57-F81 HydrophobicContact CD2-CZ 4.33Å; L57-F81 HydrophobicContact CG-CZ 4.43Å; F81-R83 PolarHBondContact O-N 2.78Å; F81-F85 WeakPolarHBondContact O-CD2 3.4Å |
| 82 | T | 57.2 | Low | 52 | Low | 38 Ų | 38 | 118.2 Ų | 118.2 | 23% | 0.233 | 63% | 0.627 | C | S | . | * | H | α-helix | trans | -73.5 | -18.3 | -178.7 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | T78 R86 | T78-T82 HydrophobicContact CG2-CG2 4.01Å; T78-T82 WeakPolarHBondContact O-CG2 3.31Å; T78-T82 PolarHBondContact O-OG1 2.89Å; T82-R86 WeakPolarHBondContact O-CD 3.2Å; T82-R86 VanDerWaalsContact O-CG 3.22Å; T82-R86 WeakPolarHBondContact O-CG 3.36Å; T82-R86 PolarHBondContact O-NE 3.19Å |
| 83 | R | 57.8 | Low | 52.2 | Low | 186 Ų | 186 | 118.8 Ų | 118.8 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -90 | -39.7 | -177.1 | -170.3 | 162.1 | 179.7 | -123.4 | 0.6 | 113.3 | F81 F85 | F81-R83 PolarHBondContact O-N 2.78Å; R83-F85 PolarHBondContact O-N 3.24Å |
| 84 | T | 51.8 | Low | 52.2 | Low | 72 Ų | 72 | 120 Ų | 120 | 44% | 0.442 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.7 | -28.4 | -172.3 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 85 | F | 54.7 | Low | 52.3 | Low | 129 Ų | 129 | 125.6 Ų | 125.6 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -7.6 | -178.1 | -64.3 | -74.1 | 0 | 0 | 0 | 115 | V44 F81 R83 H87 | V44-F85 HydrophobicContact CG1-CE2 4.44Å; F81-F85 WeakPolarHBondContact O-CD2 3.4Å; R83-F85 PolarHBondContact O-N 3.24Å; F85-H87 VanDerWaalsContact C-N 3.28Å; F85-H87 PolarHBondContact O-N 3.14Å |
| 86 | R | 56.4 | Low | 52.3 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 53% | 0.528 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | -13.3 | 177.7 | -71.7 | 177.9 | -172.4 | -107.3 | 1.6 | 113.7 | T82 | T82-R86 WeakPolarHBondContact O-CD 3.2Å; T82-R86 VanDerWaalsContact O-CG 3.22Å; T82-R86 WeakPolarHBondContact O-CG 3.36Å; T82-R86 PolarHBondContact O-NE 3.19Å |
| 87 | H | 51.7 | Low | 52.1 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 63% | 0.63 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -9.5 | -178.6 | -63.3 | -34 | 0 | 0 | 0 | 114 | F85 R89 | F85-H87 VanDerWaalsContact C-N 3.28Å; F85-H87 PolarHBondContact O-N 3.14Å; H87-R89 VanDerWaalsContact C-N 3.32Å; H87-R89 PolarHBondContact O-N 3.41Å |
| 88 | V | 53.8 | Low | 51.3 | Low | 120 Ų | 120 | 131 Ų | 131 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -7.2 | 179.4 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 89 | R | 52.7 | Low | 51 | Low | 228 Ų | 228 | 130.8 Ų | 130.8 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | 39.1 | 177.9 | -69 | -169.4 | 173.5 | -165.2 | -2.8 | 114.8 | H87 | H87-R89 VanDerWaalsContact C-N 3.32Å; H87-R89 PolarHBondContact O-N 3.41Å |
| 90 | R | 50.9 | Low | 50.5 | Low | 179 Ų | 179 | 133.4 Ų | 133.4 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | | | trans | -121.9 | 60 | 169.6 | -72 | -168.8 | 168.9 | 129 | -8.6 | 112.4 | | |
| 91 | T | 46.8 | Very low | 50.1 | Low | 141 Ų | 141 | 137.9 Ų | 137.9 | 87% | 0.865 | 69% | 0.694 | S | S | * | * | | | trans | -128.7 | 77.3 | 154.1 | 52.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 92 | S | 40.4 | Very low | 49.8 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | | | trans | -151.9 | 108.4 | 147.3 | 43.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 93 | V | 45 | Very low | 49.6 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | | | trans | -36.7 | 141 | 163.6 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | R95 | V93-R95 PolarHBondContact O-N 2.62Å; V93-R95 VanDerWaalsContact O-N 3.14Å |
| 94 | P | 46.3 | Very low | 49.5 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | -70.5 | 107.8 | 166.3 | 28.7 | -28.7 | 0 | 0 | 0 | 108.5 | | |
| 95 | R | 44.2 | Very low | 49.7 | Very low | 227 Ų | 227 | 148 Ų | 148 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -120.3 | 135.5 | 169.6 | -161.8 | 168.5 | -175.5 | 163.1 | 1.8 | 109 | V93 | V93-R95 PolarHBondContact O-N 2.62Å; V93-R95 VanDerWaalsContact O-N 3.14Å |
| 96 | P | 44.8 | Very low | 50 | Low | 115 Ų | 115 | 147.4 Ų | 147.4 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 156.2 | -165.2 | 30.4 | -35.2 | 0 | 0 | 0 | 111.7 | S98 | P96-S98 PolarHBondContact O-N 2.91Š|
| 97 | R | 51.4 | Low | 50.3 | Low | 250 Ų | 250 | 145.8 Ų | 145.8 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | | | trans | -21 | 113.5 | 165.1 | -82.9 | 173.9 | 152.1 | 85 | -2.2 | 113.4 | | |
| 98 | S | 37.9 | Very low | 51 | Low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -153.2 | 120.5 | 151.5 | -168.1 | 0 | 0 | 0 | 0 | 108.5 | P96 | P96-S98 PolarHBondContact O-N 2.91Š|
| 99 | G | 49.5 | Very low | 51.2 | Low | 79 Ų | 79 | 146.2 Ų | 146.2 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | -67.9 | 143.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 100 | S | 44.3 | Very low | 51.8 | Low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -160.2 | 107.6 | 144.9 | -163.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 101 | R | 54.1 | Low | 52.2 | Low | 226 Ų | 226 | 137.2 Ų | 137.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -64.5 | 161.7 | 151 | -68.7 | -158.9 | -81.5 | -142.9 | 0.9 | 107.2 | | |
| 102 | D | 54.3 | Low | 52.8 | Low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | 94.3 | 43 | 170.2 | -56.6 | -14.9 | 0 | 0 | 0 | 120.1 | | |
| 103 | L | 53.6 | Low | 53.8 | Low | 180 Ų | 180 | 138 Ų | 138 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | | | trans | -141.2 | 32.1 | 157.2 | -67.1 | 178.5 | 0 | 0 | 0 | 114.3 | | |
| 104 | S | 54.3 | Low | 54.4 | Low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -98.6 | 116.7 | 161.8 | 60.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 105 | S | 56.2 | Low | 55.3 | Low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 140.1 | 168.1 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 106 | P | 60.8 | Low | 55.9 | Low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.6 | 176.3 | 22.7 | -31.5 | 0 | 0 | 0 | 109.3 | | |
| 107 | P | 63.1 | Low | 56.7 | Low | 107 Ų | 107 | 133.7 Ų | 133.7 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 144.9 | 178.6 | 25.4 | -32.6 | 0 | 0 | 0 | 109.4 | D109 | P107-D109 PolarHBondContact O-N 2.74Š|
| 108 | P | 66.3 | Low | 57.2 | Low | 91 Ų | 91 | 129.5 Ų | 129.5 | 59% | 0.591 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.2 | 178 | 24.4 | -33.1 | 0 | 0 | 0 | 110.3 | I110 | P108-I110 PolarHBondContact O-N 2.77Š|
| 109 | D | 58.9 | Low | 58.1 | Low | 173 Ų | 173 | 129.2 Ų | 129.2 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -56.2 | -20 | -177.1 | -67.6 | -26.8 | 0 | 0 | 0 | 113.5 | P107 | P107-D109 PolarHBondContact O-N 2.74Š|
| 110 | I | 64.1 | Low | 58.8 | Low | 134 Ų | 134 | 132.6 Ų | 132.6 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -123.3 | 117.8 | 177.4 | -58.3 | 166.6 | 0 | 0 | 0 | 108.2 | P108 P112 | P108-I110 PolarHBondContact O-N 2.77Å; I110-P112 WeakPolarHBondContact O-CD 3.4Å |
| 111 | S | 60 | Low | 59.6 | Low | 84 Ų | 84 | 132.5 Ų | 132.5 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | | | trans | -63.5 | 122.3 | 179.6 | -74.7 | 0 | 0 | 0 | 0 | 111.2 | I113 | S111-I113 PolarHBondContact O-N 2.95Å; S111-I113 VanDerWaalsContact O-N 3.09Å |
| 112 | P | 58.3 | Low | 59.7 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -7.3 | -176.9 | 24.9 | -32.2 | 0 | 0 | 0 | 114.2 | I110 | I110-P112 WeakPolarHBondContact O-CD 3.4Š|
| 113 | I | 61.5 | Low | 59.9 | Low | 154 Ų | 154 | 128.7 Ų | 128.7 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -20.1 | -173.3 | -58.9 | 175.4 | 0 | 0 | 0 | 111.9 | S111 | S111-I113 PolarHBondContact O-N 2.95Å; S111-I113 VanDerWaalsContact O-N 3.09Å |
| 114 | I | 58.6 | Low | 59.9 | Low | 101 Ų | 101 | 126.2 Ų | 126.2 | 52% | 0.518 | 72% | 0.723 | S | S | . | * | | | trans | -151.9 | 89.7 | -179.6 | -33 | 171.1 | 0 | 0 | 0 | 110.2 | N116 A117 | I114-N116 PolarHBondContact O-N 2.77Å; I114-A117 HydrophobicContact CB-CB 3.76Å; I114-A117 HydrophobicContact CD1-CB 4.23Å; I114-A117 HydrophobicContact CG2-CB 3.85Å; I114-A117 PolarHBondContact O-N 3.07Å; I114-A117 VanDerWaalsContact O-N 3.14Å |
| 115 | K | 64.6 | Low | 60.1 | Low | 194 Ų | 194 | 126.7 Ų | 126.7 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -11 | 174.7 | -172.9 | 172.6 | 168.8 | 178.1 | 0 | 113.5 | | |
| 116 | N | 56.5 | Low | 60.1 | Low | 152 Ų | 152 | 128.7 Ų | 128.7 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 2.9 | 178.5 | -65.2 | -19.1 | 0 | 0 | 0 | 113.9 | I114 I118 | I114-N116 PolarHBondContact O-N 2.77Å; N116-I118 PolarHBondContact O-N 3.13Å |
| 117 | A | 62.4 | Low | 59.6 | Low | 60 Ų | 60 | 127.5 Ų | 127.5 | 50% | 0.496 | 71% | 0.713 | S | S | . | * | | | trans | -80.5 | 108.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | I114 S119 | I114-A117 HydrophobicContact CB-CB 3.76Å; I114-A117 HydrophobicContact CD1-CB 4.23Å; I114-A117 HydrophobicContact CG2-CB 3.85Å; I114-A117 PolarHBondContact O-N 3.07Å; I114-A117 VanDerWaalsContact O-N 3.14Å; A117-S119 PolarHBondContact O-N 3.3Å; A117-S119 VanDerWaalsContact O-N 3.13Å |
| 118 | I | 62 | Low | 59.3 | Low | 163 Ų | 163 | 129.4 Ų | 129.4 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | | | trans | -58.3 | 111.9 | 162.9 | 31.2 | 170.2 | 0 | 0 | 0 | 108.1 | N116 L120 | N116-I118 PolarHBondContact O-N 3.13Å; I118-L120 PolarHBondContact O-N 3.04Å |
| 119 | S | 57.1 | Low | 58.8 | Low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 123.7 | 173.3 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | A117 | A117-S119 PolarHBondContact O-N 3.3Å; A117-S119 VanDerWaalsContact O-N 3.13Å |
| 120 | L | 64.4 | Low | 58.6 | Low | 150 Ų | 150 | 126.9 Ų | 126.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.2 | 169.9 | -65.4 | 174.5 | 0 | 0 | 0 | 109.2 | I118 Q122 | I118-L120 PolarHBondContact O-N 3.04Å; L120-Q122 PolarHBondContact O-N 3.12Å |
| 121 | P | 61.2 | Low | 57.7 | Low | 111 Ų | 111 | 126.1 Ų | 126.1 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 125.7 | 174.6 | 22.2 | -31.4 | 0 | 0 | 0 | 109.1 | L123 | P121-L123 PolarHBondContact O-N 3.49Š|
| 122 | Q | 56 | Low | 57.3 | Low | 169 Ų | 169 | 127.8 Ų | 127.8 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.3 | -179.9 | -65.8 | -179.6 | 23.3 | 0 | 0 | 108.7 | L120 N124 | L120-Q122 PolarHBondContact O-N 3.12Å; Q122-N124 PolarHBondContact O-N 3.2Å |
| 123 | L | 58.5 | Low | 56.9 | Low | 122 Ų | 122 | 130.7 Ų | 130.7 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | trans | -85.2 | 98.5 | 170.2 | -64.6 | 178.2 | 0 | 0 | 0 | 107.5 | P121 I125 | P121-L123 PolarHBondContact O-N 3.49Å; L123-I125 PolarHBondContact O-N 3.35Å |
| 124 | N | 53.8 | Low | 56.4 | Low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | | | trans | -68.3 | 111.8 | 171.7 | -66.6 | -28.7 | 0 | 0 | 0 | 108.5 | Q122 D126 | Q122-N124 PolarHBondContact O-N 3.2Å; N124-D126 PolarHBondContact O-N 3.17Å |
| 125 | I | 58.4 | Low | 55.9 | Low | 120 Ų | 120 | 133 Ų | 133 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | | | trans | -100.7 | 69.5 | 172.6 | -55.3 | 161.3 | 0 | 0 | 0 | 107 | L123 L132 | L123-I125 PolarHBondContact O-N 3.35Å; I125-L132 HydrophobicContact CD1-CD2 4.41Å; I125-L132 HydrophobicContact CG1-CD2 4.14Å |
| 126 | D | 55.9 | Low | 55.1 | Low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | trans | -118.1 | 83.2 | 171.3 | -72.7 | -31.1 | 0 | 0 | 0 | 108.5 | N124 | N124-D126 PolarHBondContact O-N 3.17Š|
| 127 | S | 50.2 | Low | 54.4 | Low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -157.8 | 133.5 | 154.5 | -83.7 | 0 | 0 | 0 | 0 | 108.6 | N129 | S127-N129 CarbonylContact O-C 3.54Å; S127-N129 PolarHBondContact O-N 3.17Å |
| 128 | V | 55.8 | Low | 53.4 | Low | 147 Ų | 147 | 135.6 Ų | 135.6 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -55.9 | -0.9 | -179.6 | -73.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 129 | N | 57.6 | Low | 51.9 | Low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -132.2 | 98.7 | 173.8 | -49.9 | -46.8 | 0 | 0 | 0 | 107.1 | S127 C131 | S127-N129 CarbonylContact O-C 3.54Å; S127-N129 PolarHBondContact O-N 3.17Å; N129-C131 PolarHBondContact O-N 3.3Å |
| 130 | G | 53 | Low | 50.9 | Low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | | | trans | -62.4 | 77.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 131 | C | 46.4 | Very low | 49.8 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -110.4 | 124.7 | 169.6 | -167 | 0 | 0 | 0 | 0 | 110.1 | N129 Q133 | N129-C131 PolarHBondContact O-N 3.3Å; C131-Q133 PolarHBondContact O-N 3.03Å |
| 132 | L | 52.2 | Low | 48.4 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | | | trans | -71.4 | 120.4 | 176.8 | -66.4 | 172.3 | 0 | 0 | 0 | 109.7 | I125 R134 | I125-L132 HydrophobicContact CD1-CD2 4.41Å; I125-L132 HydrophobicContact CG1-CD2 4.14Å; L132-R134 PolarHBondContact O-N 3.44Å |
| 133 | Q | 48.3 | Very low | 47.3 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -67.1 | 100.8 | 172 | -168.1 | 173 | 5.9 | 0 | 0 | 108.9 | C131 A135 | C131-Q133 PolarHBondContact O-N 3.03Å; Q133-A135 PolarHBondContact O-N 3.38Å |
| 134 | R | 51.8 | Low | 46.4 | Very low | 224 Ų | 224 | 131.3 Ų | 131.3 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -66.2 | 100 | 173.5 | -163.5 | -174.6 | -129.4 | 152.2 | 0.7 | 108 | L132 L136 | L132-R134 PolarHBondContact O-N 3.44Å; R134-L136 PolarHBondContact O-N 2.8Å; R134-L136 VanDerWaalsContact O-N 3.11Å |
| 135 | A | 48.5 | Very low | 45.7 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | | | trans | -61.5 | 112.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q133 F137 | Q133-A135 PolarHBondContact O-N 3.38Å; A135-F137 PolarHBondContact O-N 3.04Å |
| 136 | L | 46.5 | Very low | 44.9 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -71 | 116 | 174.1 | -67 | 168.4 | 0 | 0 | 0 | 108.2 | R134 | R134-L136 PolarHBondContact O-N 2.8Å; R134-L136 VanDerWaalsContact O-N 3.11Å |
| 137 | F | 42.5 | Very low | 44 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -72 | 140.3 | 163.6 | -66.3 | -78.6 | 0 | 0 | 0 | 109 | A135 N139 | A135-F137 PolarHBondContact O-N 3.04Å; F137-N139 PolarHBondContact O-N 3.27Å; F137-N139 VanDerWaalsContact O-N 3.13Å |
| 138 | P | 40.4 | Very low | 43.7 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -73.4 | 104.3 | 171.4 | 28.3 | -29.7 | 0 | 0 | 0 | 109.3 | S140 | P138-S140 PolarHBondContact O-N 3.21Å; P138-S140 VanDerWaalsContact O-N 3.17Å |
| 139 | N | 31.3 | Very low | 42.7 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -75.2 | 97 | 164.8 | -59.4 | -10.2 | 0 | 0 | 0 | 107.4 | F137 M141 | F137-N139 PolarHBondContact O-N 3.27Å; F137-N139 VanDerWaalsContact O-N 3.13Å; N139-M141 PolarHBondContact O-N 2.77Å |
| 140 | S | 36.7 | Very low | 41.5 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -84.8 | 96.5 | 171.6 | -145.2 | 0 | 0 | 0 | 0 | 108.9 | P138 | P138-S140 PolarHBondContact O-N 3.21Å; P138-S140 VanDerWaalsContact O-N 3.17Å |
| 141 | M | 40.5 | Very low | 40.9 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | | | trans | -83.5 | 130.9 | 159.5 | -69.8 | -169.4 | 68.9 | 0 | 0 | 109 | N139 | N139-M141 PolarHBondContact O-N 2.77Š|
| 142 | G | 32 | Very low | 40.5 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | 147 | 138.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 143 | S | 33.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | cis | -165.8 | 160.4 | 3.8 | 172.1 | 0 | 0 | 0 | 0 | 104.5 | | |
| 144 | A | 39.4 | Very low | 40.4 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | trans | -61.6 | 162.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 145 | D | 39.1 | Very low | 40 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | 83.2 | 118.1 | 159.3 | -62.5 | -28.7 | 0 | 0 | 0 | 120.7 | | |
| 146 | D | 41.1 | Very low | 40.1 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 51.8 | 103.8 | 139 | -151.7 | 19.7 | 0 | 0 | 0 | 119 | | |
| 147 | S | 37 | Very low | 40 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -160.4 | 110.2 | 139 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 148 | F | 43.2 | Very low | 40 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | -62.6 | 154.7 | 155.2 | -65.3 | -93.2 | 0 | 0 | 0 | 109.9 | | |
| 149 | C | 35.6 | Very low | 40 | Very low | 120 Ų | 120 | 134 Ų | 134 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | 105.9 | 130.9 | 176.4 | -62 | 0 | 0 | 0 | 0 | 112.6 | | |
| 150 | T | 31.6 | Very low | 40.7 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 57% | 0.571 | 79% | 0.794 | S | S | * | * | | | cis | -164.2 | 144.7 | 3.2 | -72.5 | 0 | 0 | 0 | 0 | 106.1 | G152 | T150-G152 PolarHBondContact O-N 3.39Š|
| 151 | Y | 41.8 | Very low | 41 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | | | trans | -46.4 | 104.5 | 171.9 | 43 | -86.8 | 0 | 0 | 0 | 112.6 | V153 | Y151-V153 PolarHBondContact O-N 2.98Š|
| 152 | G | 36.8 | Very low | 40.8 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -93.9 | 79.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T150 Q154 | T150-G152 PolarHBondContact O-N 3.39Å; G152-Q154 PolarHBondContact O-N 3.11Å; G152-Q154 VanDerWaalsContact O-N 3.12Å |
| 153 | V | 50 | Low | 41.2 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -77.6 | 84.9 | 174.5 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | Y151 | Y151-V153 PolarHBondContact O-N 2.98Š|
| 154 | Q | 48.5 | Very low | 41.3 | Very low | 191 Ų | 191 | 138 Ų | 138 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -161.7 | 62.6 | 160 | -153 | 141.5 | 26.4 | 0 | 0 | 114.2 | G152 | G152-Q154 PolarHBondContact O-N 3.11Å; G152-Q154 VanDerWaalsContact O-N 3.12Å |
| 155 | S | 43.8 | Very low | 41.6 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -162.9 | 104.7 | 152.5 | -167.5 | 0 | 0 | 0 | 0 | 109.7 | F157 | S155-F157 PolarHBondContact O-N 3Š|
| 156 | G | 50.9 | Low | 41.6 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -81.5 | 69.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 157 | F | 44.3 | Very low | 41.6 | Very low | 190 Ų | 190 | 148 Ų | 148 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | | | trans | -152.4 | 89.9 | 162.7 | -71.1 | -74.1 | 0 | 0 | 0 | 111.7 | S155 | S155-F157 PolarHBondContact O-N 3Š|
| 158 | L | 41.7 | Very low | 41.9 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -145.1 | 92.3 | 156.4 | -69.2 | 179.6 | 0 | 0 | 0 | 107.9 | L160 | L158-L160 PolarHBondContact O-N 3.37Š|
| 159 | T | 41.3 | Very low | 41.8 | Very low | 145 Ų | 145 | 153.2 Ų | 153.2 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | -91.4 | 81.3 | 163.6 | 36.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 160 | L | 46.1 | Very low | 41.8 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | | | trans | -69.2 | 150.9 | 153.6 | -67.7 | 172.4 | 0 | 0 | 0 | 108.7 | L158 R162 | L158-L160 PolarHBondContact O-N 3.37Å; L160-R162 PolarHBondContact O-N 3.13Å |
| 161 | P | 41.8 | Very low | 42 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | | | trans | -56.6 | 114 | 176.5 | -19.8 | 30.6 | 0 | 0 | 0 | 110.1 | V163 | P161-V163 PolarHBondContact O-N 3.17Å; P161-V163 VanDerWaalsContact O-N 3.12Å |
| 162 | R | 38.3 | Very low | 41.5 | Very low | 234 Ų | 234 | 156.6 Ų | 156.6 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -71.9 | 104.8 | 171.2 | -80.5 | -170.4 | 168.3 | 127.6 | -0.6 | 108.1 | L160 S164 | L160-R162 PolarHBondContact O-N 3.13Å; R162-S164 PolarHBondContact O-N 3.12Å |
| 163 | V | 38.7 | Very low | 41.3 | Very low | 139 Ų | 139 | 155.5 Ų | 155.5 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | trans | -58.7 | 121.6 | 157.8 | -169.2 | 0 | 0 | 0 | 0 | 106.8 | P161 R165 | P161-V163 PolarHBondContact O-N 3.17Å; P161-V163 VanDerWaalsContact O-N 3.12Å; V163-R165 PolarHBondContact O-N 3.02Å |
| 164 | S | 36.5 | Very low | 40.4 | Very low | 109 Ų | 109 | 156.4 Ų | 156.4 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | trans | -52.9 | 118.5 | -176.8 | -46.9 | 0 | 0 | 0 | 0 | 110.9 | R162 L166 | R162-S164 PolarHBondContact O-N 3.12Å; S164-L166 PolarHBondContact O-N 3.43Å |
| 165 | R | 45.3 | Very low | 40.1 | Very low | 233 Ų | 233 | 152.8 Ų | 152.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -83.6 | 57.7 | -179.8 | -153.5 | -172.5 | -161.7 | -156.5 | 5.5 | 110.9 | V163 | V163-R165 PolarHBondContact O-N 3.02Š|
| 166 | L | 39.8 | Very low | 39.5 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | -113 | 53.3 | 170.5 | -162.8 | 76.2 | 0 | 0 | 0 | 110.6 | S164 | S164-L166 PolarHBondContact O-N 3.43Š|
| 167 | E | 41.4 | Very low | 38.8 | Very low | 185 Ų | 185 | 166.7 Ų | 166.7 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -152.9 | 66.8 | 162.7 | -166.5 | 150 | -171.2 | 0 | 0 | 109.5 | | |
| 168 | R | 41.8 | Very low | 38 | Very low | 221 Ų | 221 | 164.3 Ų | 164.3 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | | | trans | -155.2 | 73.5 | 157 | -153.2 | 177.8 | -57 | -93.3 | -6.7 | 109.8 | | |
| 169 | Q | 41.3 | Very low | 37.5 | Very low | 181 Ų | 181 | 161.8 Ų | 161.8 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -149.6 | 133.8 | 155.4 | -165.8 | 171.4 | -53.7 | 0 | 0 | 104.7 | | |
| 170 | I | 35.4 | Very low | 37.7 | Very low | 152 Ų | 152 | 161 Ų | 161 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | 93.5 | 109 | -163.6 | -51.9 | 156.5 | 0 | 0 | 0 | 109.5 | | |
| 171 | Q | 36.3 | Very low | 37.1 | Very low | 174 Ų | 174 | 159.4 Ų | 159.4 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | cis | -140.4 | 155.5 | 16.7 | -66.8 | -75.8 | 26.8 | 0 | 0 | 111.6 | | |
| 172 | D | 32 | Very low | 36.9 | Very low | 158 Ų | 158 | 161 Ų | 161 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | trans | -87.9 | 147.1 | 162.7 | -176 | 19.5 | 0 | 0 | 0 | 109.8 | | |
| 173 | G | 32.7 | Very low | 36.8 | Very low | 58 Ų | 58 | 157.7 Ų | 157.7 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | | | trans | 64.7 | 148 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 174 | D | 31.7 | Very low | 36.9 | Very low | 150 Ų | 150 | 155 Ų | 155 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | cis | -171.1 | 147.7 | 14 | 42.8 | -5.1 | 0 | 0 | 0 | 109.9 | | |
| 175 | V | 40.8 | Very low | 37 | Very low | 114 Ų | 114 | 155.6 Ų | 155.6 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | | | trans | -2.8 | 122.1 | 156.6 | 175.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 176 | W | 31.1 | Very low | 36.7 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | | | | -158.3 | 124.2 | 122.9 | -73 | 105.3 | 0 | 0 | 0 | 111.3 | | |
| 177 | R | 35.8 | Very low | 36.9 | Very low | 234 Ų | 234 | 144.5 Ų | 144.5 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -83.7 | 131.6 | 167.1 | -83 | -120.5 | -74.5 | -130.8 | 0 | 109.9 | | |
| 178 | T | 28.6 | Very low | 37.1 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | | | trans | -162 | 115.7 | 144.4 | 22.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 179 | S | 32.1 | Very low | 37.3 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -94.7 | -177.7 | 158.9 | -43.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 180 | P | 44.7 | Very low | 37.5 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | cis | -123.8 | 157.7 | -47.2 | 29.7 | -12.6 | 0 | 0 | 0 | 110.6 | | |
| 181 | A | 32.8 | Very low | 38.1 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -131.9 | 121.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 182 | D | 37.8 | Very low | 38.7 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -54.3 | 127.1 | -179.1 | -147.6 | -5.5 | 0 | 0 | 0 | 111.6 | | |
| 183 | N | 37.1 | Very low | 39.6 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -169.7 | 101.1 | 147.4 | -100.4 | -11.3 | 0 | 0 | 0 | 108.4 | C185 | N183-C185 PolarHBondContact O-N 3.37Š|
| 184 | G | 40.1 | Very low | 40.7 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -60 | 121.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 185 | C | 37.8 | Very low | 41.9 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -148.6 | 119.8 | 146.8 | -167.4 | 0 | 0 | 0 | 0 | 106.1 | N183 A187 | N183-C185 PolarHBondContact O-N 3.37Å; C185-A187 PolarHBondContact O-N 3.09Å |
| 186 | G | 39.4 | Very low | 42.6 | Very low | 63 Ų | 63 | 136.4 Ų | 136.4 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | trans | -47.4 | 132.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L188 | G186-L188 PolarHBondContact O-N 3.06Š|
| 187 | A | 43.8 | Very low | 44.3 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -55.9 | 94.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | C185 T189 | C185-A187 PolarHBondContact O-N 3.09Å; A187-T189 VanDerWaalsContact C-N 3.32Å; A187-T189 PolarHBondContact O-N 3.38Å |
| 188 | L | 46.4 | Very low | 45.9 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -61.1 | 104 | 171.2 | -70.9 | 175 | 0 | 0 | 0 | 105.5 | G186 R190 | G186-L188 PolarHBondContact O-N 3.06Å; L188-R190 PolarHBondContact O-N 2.98Å; L188-R190 VanDerWaalsContact O-N 3.08Å |
| 189 | T | 44.7 | Very low | 48.2 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -39.2 | 116.6 | 165.1 | 49.8 | 0 | 0 | 0 | 0 | 107.6 | A187 S191 | A187-T189 VanDerWaalsContact C-N 3.32Å; A187-T189 PolarHBondContact O-N 3.38Å; T189-S191 PolarHBondContact O-N 2.95Å |
| 190 | R | 46.2 | Very low | 50.5 | Low | 235 Ų | 235 | 127.6 Ų | 127.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | -45.3 | 112.5 | 175.7 | -82.1 | 173.9 | 84.1 | -173.7 | 7.6 | 107.1 | L188 D192 | L188-R190 PolarHBondContact O-N 2.98Å; L188-R190 VanDerWaalsContact O-N 3.08Å; R190-D192 VanDerWaalsContact C-N 3.3Å; R190-D192 PolarHBondContact O-N 2.65Å |
| 191 | S | 47.9 | Very low | 52.1 | Low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | -65 | 100.8 | 165.7 | -48.7 | 0 | 0 | 0 | 0 | 106 | T189 S193 | T189-S191 PolarHBondContact O-N 2.95Å; S191-S193 PolarHBondContact O-N 3.35Å |
| 192 | D | 50.1 | Low | 54.7 | Low | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | | | trans | -65.9 | 68.4 | 166.8 | 40.5 | -40.9 | 0 | 0 | 0 | 108.9 | R190 L194 | R190-D192 VanDerWaalsContact C-N 3.3Å; R190-D192 PolarHBondContact O-N 2.65Å; D192-L194 PolarHBondContact O-N 3.37Å; D192-L194 VanDerWaalsContact O-N 3.12Å |
| 193 | S | 49.6 | Very low | 56.9 | Low | 85 Ų | 85 | 119.4 Ų | 119.4 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | | | trans | -68.9 | 105.5 | 171 | -152.8 | 0 | 0 | 0 | 0 | 107.3 | S191 A195 S196 | S191-S193 PolarHBondContact O-N 3.35Å; S193-A195 PolarHBondContact O-N 3.28Å; S193-S196 PolarHBondContact O-N 2.86Å |
| 194 | L | 56.5 | Low | 59.2 | Low | 181 Ų | 181 | 116.5 Ų | 116.5 | 95% | 0.948 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 11.4 | 177.9 | -64.1 | 174.7 | 0 | 0 | 0 | 114.1 | D192 | D192-L194 PolarHBondContact O-N 3.37Å; D192-L194 VanDerWaalsContact O-N 3.12Å |
| 195 | A | 57.6 | Low | 61.3 | Low | 76 Ų | 76 | 117 Ų | 117 | 63% | 0.628 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 2.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S193 F197 | S193-A195 PolarHBondContact O-N 3.28Å; A195-F197 WeakPolarHBondContact O-CD1 3.43Å; A195-F197 PolarHBondContact O-N 3.37Å |
| 196 | S | 55.2 | Low | 63.9 | Low | 104 Ų | 104 | 114.1 Ų | 114.1 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | | | trans | -80.1 | 97.3 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | S193 | S193-S196 PolarHBondContact O-N 2.86Š|
| 197 | F | 66 | Low | 66.1 | Low | 166 Ų | 166 | 115.6 Ų | 115.6 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | | | trans | -99.9 | 122.9 | 168.5 | 62.5 | -81.9 | 0 | 0 | 0 | 108.6 | A195 V199 | A195-F197 WeakPolarHBondContact O-CD1 3.43Å; A195-F197 PolarHBondContact O-N 3.37Å; F197-V199 HydrophobicContact CD2-CG2 3.26Å; F197-V199 HydrophobicContact CE2-CG2 3.26Å; F197-V199 PolarHBondContact O-N 3.45Å |
| 198 | T | 69.1 | Low | 68.3 | Low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 66% | 0.663 | S | S | * | * | | | trans | -82.3 | 108.4 | 169.8 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 199 | V | 77.3 | Confident | 70.4 | Confident | 89 Ų | 89 | 111.9 Ų | 111.9 | 54% | 0.539 | 64% | 0.639 | S | S | . | * | | | trans | -85.7 | 110.4 | 169.9 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | F197 L201 | F197-V199 HydrophobicContact CD2-CG2 3.26Å; F197-V199 HydrophobicContact CE2-CG2 3.26Å; F197-V199 PolarHBondContact O-N 3.45Å; V199-L201 HydrophobicContact CG1-CD2 3.59Å; V199-L201 HydrophobicContact CG1-CG 3.87Å; V199-L201 PolarHBondContact O-N 3.32Å |
| 200 | D | 80.4 | Confident | 72.4 | Confident | 149 Ų | 149 | 110.3 Ų | 110.3 | 80% | 0.797 | 63% | 0.625 | S | S | * | * | | | trans | -84.7 | 99.2 | 167 | -174.6 | 18.2 | 0 | 0 | 0 | 108.6 | G202 | D200-G202 PolarHBondContact O-N 2.93Š|
| 201 | L | 78.8 | Confident | 74.4 | Confident | 68 Ų | 68 | 101.5 Ų | 101.5 | 36% | 0.356 | 60% | 0.603 | S | S | . | * | | | trans | -81.2 | 103.7 | 167.3 | -61.6 | 178.3 | 0 | 0 | 0 | 105.6 | V199 L205 M206 | V199-L201 HydrophobicContact CG1-CD2 3.59Å; V199-L201 HydrophobicContact CG1-CG 3.87Å; V199-L201 PolarHBondContact O-N 3.32Å; L201-L205 HydrophobicContact CB-CB 4.3Å; L201-L205 HydrophobicContact CD2-CD1 4.23Å; L201-M206 HydrophobicContact CB-CG 3.75Å; L201-M206 HydrophobicContact CB-SD 3.77Å; L201-M206 HydrophobicContact CD1-SD 4.01Å; L201-M206 HydrophobicContact CG-SD 4.49Å; L201-M206 WeakPolarHBondContact O-CG 3.03Å |
| 202 | G | 87.9 | Confident | 76.4 | Confident | 29 Ų | 29 | 99.5 Ų | 99.5 | 30% | 0.299 | 58% | 0.583 | S | S | . | * | | | trans | -56.5 | 168.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D200 S204 L205 M206 | D200-G202 PolarHBondContact O-N 2.93Å; G202-S204 PolarHBondContact O-N 2.96Å; G202-L205 PolarHBondContact O-N 3.48Å; G202-M206 PolarHBondContact O-N 3.32Å; G202-M206 VanDerWaalsContact O-N 3.09Å |
| 203 | P | 82.9 | Confident | 78.2 | Confident | 114 Ų | 114 | 98.1 Ų | 98.1 | 74% | 0.74 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -51.7 | -35.3 | -169 | -27.5 | 33.2 | 0 | 0 | 0 | 115 | T207 | P203-T207 WeakPolarHBondContact O-CB 3Å; P203-T207 PolarHBondContact O-N 2.85Å; P203-T207 PolarHBondContact O-OG1 3.42Å |
| 204 | S | 85.6 | Confident | 80 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 72% | 0.72 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.7 | -46.8 | 179.3 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | G202 T207 E208 | G202-S204 PolarHBondContact O-N 2.96Å; S204-T207 PolarHBondContact O-N 2.87Å; S204-E208 PolarHBondContact O-N 2.86Å |
| 205 | L | 84.6 | Confident | 81.2 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.8 | -34.3 | 179.4 | -66.6 | 177.4 | 0 | 0 | 0 | 110.9 | L201 G202 T207 E208 V209 | L201-L205 HydrophobicContact CB-CB 4.3Å; L201-L205 HydrophobicContact CD2-CD1 4.23Å; G202-L205 PolarHBondContact O-N 3.48Å; L205-T207 VanDerWaalsContact C-N 3.29Å; L205-T207 PolarHBondContact O-N 3.29Å; L205-E208 PolarHBondContact O-N 3.45Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 2.84Å |
| 206 | M | 92.3 | Very high | 82 | Confident | 63 Ų | 63 | 97.4 Ų | 97.4 | 31% | 0.31 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.3 | -35.2 | 173.5 | -79.6 | -57.8 | -27.7 | 0 | 0 | 112.5 | L201 G202 E208 V209 L210 | L201-M206 HydrophobicContact CB-CG 3.75Å; L201-M206 HydrophobicContact CB-SD 3.77Å; L201-M206 HydrophobicContact CD1-SD 4.01Å; L201-M206 HydrophobicContact CG-SD 4.49Å; L201-M206 WeakPolarHBondContact O-CG 3.03Å; G202-M206 PolarHBondContact O-N 3.32Å; G202-M206 VanDerWaalsContact O-N 3.09Å; M206-E208 VanDerWaalsContact C-N 3.34Å; M206-V209 HydrophobicContact CE-CB 4.2Å; M206-V209 HydrophobicContact CE-CG1 4.15Å; M206-V209 PolarHBondContact O-N 3.12Å; M206-L210 HydrophobicContact CE-CD1 4.27Å; M206-L210 HydrophobicContact CE-CD2 4.31Å; M206-L210 HydrophobicContact CE-CG 3.9Å; M206-L210 VanDerWaalsContact O-CB 3.29Å; M206-L210 WeakPolarHBondContact O-CB 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.37Å; M206-L210 PolarHBondContact O-N 3.27Å |
| 207 | T | 86 | Confident | 82.4 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | P203 S204 L205 A211 | P203-T207 WeakPolarHBondContact O-CB 3Å; P203-T207 PolarHBondContact O-N 2.85Å; P203-T207 PolarHBondContact O-OG1 3.42Å; S204-T207 PolarHBondContact O-N 2.87Å; L205-T207 VanDerWaalsContact C-N 3.29Å; L205-T207 PolarHBondContact O-N 3.29Å; T207-A211 WeakPolarHBondContact O-CB 3.19Å; T207-A211 PolarHBondContact O-N 3.19Å |
| 208 | E | 88.4 | Confident | 82.1 | Confident | 132 Ų | 132 | 91.5 Ų | 91.5 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -45.2 | 175.4 | -174.7 | -179.6 | 171.7 | 0 | 0 | 111.9 | S204 L205 M206 L210 A211 L212 | S204-E208 PolarHBondContact O-N 2.86Å; L205-E208 PolarHBondContact O-N 3.45Å; M206-E208 VanDerWaalsContact C-N 3.34Å; E208-L210 PolarHBondContact O-N 3.19Å; E208-A211 PolarHBondContact O-N 3.09Å; E208-L212 WeakPolarHBondContact O-CB 3.15Å; E208-L212 PolarHBondContact O-N 3.42Å |
| 209 | V | 91.3 | Very high | 81.4 | Confident | 57 Ų | 57 | 91.1 Ų | 91.1 | 35% | 0.345 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.1 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L205 M206 L212 I213 | L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 2.84Å; M206-V209 HydrophobicContact CE-CB 4.2Å; M206-V209 HydrophobicContact CE-CG1 4.15Å; M206-V209 PolarHBondContact O-N 3.12Å; V209-L212 PolarHBondContact O-N 3.05Å; V209-I213 HydrophobicContact CG1-CD1 3.89Å; V209-I213 WeakPolarHBondContact O-CD1 3.29Å; V209-I213 VanDerWaalsContact O-CG1 3.24Å; V209-I213 WeakPolarHBondContact O-CG1 3.49Å; V209-I213 PolarHBondContact O-N 3.27Å |
| 210 | L | 87.5 | Confident | 80.1 | Confident | 89 Ų | 89 | 94.8 Ų | 94.8 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 176.6 | -69.3 | 170.3 | 0 | 0 | 0 | 111.4 | M206 E208 L212 I213 D214 | M206-L210 HydrophobicContact CE-CD1 4.27Å; M206-L210 HydrophobicContact CE-CD2 4.31Å; M206-L210 HydrophobicContact CE-CG 3.9Å; M206-L210 VanDerWaalsContact O-CB 3.29Å; M206-L210 WeakPolarHBondContact O-CB 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.37Å; M206-L210 PolarHBondContact O-N 3.27Å; E208-L210 PolarHBondContact O-N 3.19Å; L210-L212 VanDerWaalsContact C-N 3.26Å; L210-L212 PolarHBondContact O-N 2.85Å; L210-I213 PolarHBondContact O-N 3.14Å; L210-D214 WeakPolarHBondContact O-CB 3.46Å; L210-D214 VanDerWaalsContact O-CG 3.25Å; L210-D214 PolarHBondContact O-N 2.82Å |
| 211 | A | 86.7 | Confident | 78.5 | Confident | 50 Ų | 50 | 92.3 Ų | 92.3 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -34.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | T207 E208 N215 | T207-A211 WeakPolarHBondContact O-CB 3.19Å; T207-A211 PolarHBondContact O-N 3.19Å; E208-A211 PolarHBondContact O-N 3.09Å; A211-N215 PolarHBondContact O-N 3.08Å |
| 212 | L | 89.8 | Confident | 76.7 | Confident | 68 Ų | 68 | 95 Ų | 95 | 36% | 0.356 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.7 | -41.9 | 174.9 | -178.3 | 67.1 | 0 | 0 | 0 | 112.1 | E208 V209 L210 D214 N215 P216 L219 | E208-L212 WeakPolarHBondContact O-CB 3.15Å; E208-L212 PolarHBondContact O-N 3.42Å; V209-L212 PolarHBondContact O-N 3.05Å; L210-L212 VanDerWaalsContact C-N 3.26Å; L210-L212 PolarHBondContact O-N 2.85Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-N215 CarbonylContact O-C 3.25Å; L212-N215 VanDerWaalsContact O-C 3.25Å; L212-N215 PolarHBondContact O-N 3.09Å; L212-P216 WeakPolarHBondContact O-CA 3.43Å; L212-P216 VanDerWaalsContact O-N 3.17Å; L212-L219 HydrophobicContact CD1-CD1 3.71Å; L212-L219 HydrophobicContact CD1-CG 3.92Å; L212-L219 HydrophobicContact CD2-CD1 4.41Å |
| 213 | I | 88.6 | Confident | 74.5 | Confident | 117 Ų | 117 | 100 Ų | 100 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.4 | -41.8 | 176 | -68.5 | 163.3 | 0 | 0 | 0 | 110.3 | V209 L210 N215 | V209-I213 HydrophobicContact CG1-CD1 3.89Å; V209-I213 WeakPolarHBondContact O-CD1 3.29Å; V209-I213 VanDerWaalsContact O-CG1 3.24Å; V209-I213 WeakPolarHBondContact O-CG1 3.49Å; V209-I213 PolarHBondContact O-N 3.27Å; L210-I213 PolarHBondContact O-N 3.14Å; I213-N215 VanDerWaalsContact C-N 3.34Å |
| 214 | D | 86.6 | Confident | 72.3 | Confident | 132 Ų | 132 | 103.3 Ų | 103.3 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.6 | -26.7 | 179.9 | -69.9 | -19.5 | 0 | 0 | 0 | 112.4 | L210 L212 | L210-D214 WeakPolarHBondContact O-CB 3.46Å; L210-D214 VanDerWaalsContact O-CG 3.25Å; L210-D214 PolarHBondContact O-N 2.82Å; L212-D214 VanDerWaalsContact C-N 3.33Å |
| 215 | N | 82.8 | Confident | 69.8 | Low | 92 Ų | 92 | 103 Ų | 103 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | | | trans | -145 | 80.6 | -178.7 | -139.1 | -22.8 | 0 | 0 | 0 | 112.4 | A211 L212 I213 S217 S218 | A211-N215 PolarHBondContact O-N 3.08Å; L212-N215 CarbonylContact O-C 3.25Å; L212-N215 VanDerWaalsContact O-C 3.25Å; L212-N215 PolarHBondContact O-N 3.09Å; I213-N215 VanDerWaalsContact C-N 3.34Å; N215-S217 PolarHBondContact O-N 2.87Å; N215-S217 VanDerWaalsContact O-N 3.08Å; N215-S217 PolarHBondContact OD1-OG 3.21Å; N215-S218 WeakPolarHBondContact O-CB 3.43Å; N215-S218 PolarHBondContact O-N 3Å; N215-S218 VanDerWaalsContact O-N 3.14Å; N215-S218 PolarHBondContact O-OG 3.41Å |
| 216 | P | 73.5 | Confident | 67.6 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 66% | 0.662 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -7.2 | -173.5 | 28.2 | -36 | 0 | 0 | 0 | 113.9 | L212 | L212-P216 WeakPolarHBondContact O-CA 3.43Å; L212-P216 VanDerWaalsContact O-N 3.17Å |
| 217 | S | 64.4 | Low | 64.7 | Low | 72 Ų | 72 | 113 Ų | 113 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -8.6 | 175.3 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | N215 L219 Q220 | N215-S217 PolarHBondContact O-N 2.87Å; N215-S217 VanDerWaalsContact O-N 3.08Å; N215-S217 PolarHBondContact OD1-OG 3.21Å; S217-L219 PolarHBondContact O-N 3.35Å; S217-Q220 PolarHBondContact O-N 3.35Å; S217-Q220 VanDerWaalsContact O-N 3.09Å |
| 218 | S | 59.2 | Low | 62.3 | Low | 75 Ų | 75 | 114.5 Ų | 114.5 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -16 | -178.8 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | N215 | N215-S218 WeakPolarHBondContact O-CB 3.43Å; N215-S218 PolarHBondContact O-N 3Å; N215-S218 VanDerWaalsContact O-N 3.14Å; N215-S218 PolarHBondContact O-OG 3.41Å |
| 219 | L | 54.9 | Low | 59.6 | Low | 127 Ų | 127 | 111.1 Ų | 111.1 | 67% | 0.665 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 28.5 | 169.3 | -72.5 | -178.2 | 0 | 0 | 0 | 113.2 | L212 S217 V221 | L212-L219 HydrophobicContact CD1-CD1 3.71Å; L212-L219 HydrophobicContact CD1-CG 3.92Å; L212-L219 HydrophobicContact CD2-CD1 4.41Å; S217-L219 PolarHBondContact O-N 3.35Å; L219-V221 PolarHBondContact O-N 2.91Å |
| 220 | Q | 50.6 | Low | 57 | Low | 166 Ų | 166 | 117.9 Ų | 117.9 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -72.3 | 81.1 | 153.3 | -86.4 | -169.1 | 15 | 0 | 0 | 109.3 | S217 S222 | S217-Q220 PolarHBondContact O-N 3.35Å; S217-Q220 VanDerWaalsContact O-N 3.09Å; Q220-S222 PolarHBondContact O-N 2.78Å |
| 221 | V | 46.6 | Very low | 54.6 | Low | 97 Ų | 97 | 122.3 Ų | 122.3 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | | | trans | 46.2 | 83.1 | 132.1 | -166.8 | 0 | 0 | 0 | 0 | 114.1 | L219 N223 | L219-V221 PolarHBondContact O-N 2.91Å; V221-N223 HydrophobicContact CG1-CB 3.41Å; V221-N223 VanDerWaalsContact CG1-CB 3.41Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.24Å; V221-N223 PolarHBondContact O-N 2.95Å |
| 222 | S | 39.8 | Very low | 52.1 | Low | 124 Ų | 124 | 129.4 Ų | 129.4 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | | | trans | -64.4 | 70.4 | 144.7 | 166.7 | 0 | 0 | 0 | 0 | 109 | Q220 | Q220-S222 PolarHBondContact O-N 2.78Š|
| 223 | N | 43.6 | Very low | 49.5 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | | | trans | -108.5 | 76.3 | 156.9 | -70.9 | -27.3 | 0 | 0 | 0 | 106.6 | V221 | V221-N223 HydrophobicContact CG1-CB 3.41Å; V221-N223 VanDerWaalsContact CG1-CB 3.41Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.24Å; V221-N223 PolarHBondContact O-N 2.95Å |
| 224 | H | 34.7 | Very low | 47 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | | | trans | -94.2 | 97.1 | 157.1 | -161.2 | -13.4 | 0 | 0 | 0 | 107.1 | Q226 | H224-Q226 PolarHBondContact O-N 2.9Š|
| 225 | S | 34.5 | Very low | 44.7 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | | | trans | -56.1 | 127.9 | 166.3 | -54.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 226 | Q | 37.8 | Very low | 42.3 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -76.9 | 110.1 | 167.4 | 176.8 | 177.7 | 3 | 0 | 0 | 107.7 | H224 | H224-Q226 PolarHBondContact O-N 2.9Š|
| 227 | E | 31.3 | Very low | 40.6 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -122.1 | 136.7 | 168 | -176.4 | 173.2 | 179.8 | 0 | 0 | 108.8 | | |
| 228 | V | 34.8 | Very low | 38.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -109.9 | 138.5 | -170.3 | 163.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 229 | G | 32.8 | Very low | 37.8 | Very low | 61 Ų | 61 | 149.7 Ų | 149.7 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | | | trans | 78.8 | 144.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 230 | E | 36 | Very low | 36.8 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | | | cis | -148.5 | 170.6 | 34.9 | -67.8 | 176.5 | 163.2 | 0 | 0 | 111.3 | | |
| 231 | E | 37.3 | Very low | 36 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 151.5 | -175.2 | -52.8 | 174.4 | 176.7 | 0 | 0 | 112.4 | | |
| 232 | E | 34.9 | Very low | 35.5 | Very low | 199 Ų | 199 | 147 Ų | 147 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | | -175.6 | 146.1 | 123.3 | -98.2 | -179.8 | -158.4 | 0 | 0 | 111.7 | | |
| 233 | E | 35.6 | Very low | 35.3 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -74.4 | 159.7 | -172.7 | -56.5 | -178.7 | 148.2 | 0 | 0 | 112.7 | | |
| 234 | E | 35.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | | 177.7 | 147 | 122.9 | -93.5 | -76.8 | 178.1 | 0 | 0 | 111 | | |
| 235 | E | 37.1 | Very low | 34.6 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -78.7 | 158.6 | -165.3 | -58.3 | -179 | 143 | 0 | 0 | 113.6 | | |
| 236 | D | 32.6 | Very low | 34.8 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | | | | 158.6 | 126 | 108.4 | -160.8 | 39.1 | 0 | 0 | 0 | 113.5 | | |
| 237 | R | 38.1 | Very low | 35 | Very low | 219 Ų | 219 | 144.6 Ų | 144.6 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | 44.6 | 133.5 | 150.4 | -76.3 | 164.6 | -143.9 | -81 | -8.1 | 123 | | |
| 238 | G | 30.3 | Very low | 35.3 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | 151.6 | 98.5 | 133.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 239 | D | 36 | Very low | 35.4 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -38.4 | 145 | 172.9 | -55.2 | -59.8 | 0 | 0 | 0 | 116.7 | | |
| 240 | T | 33.6 | Very low | 35.7 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | | 170 | 132.2 | 104.2 | 40 | 0 | 0 | 0 | 0 | 112.2 | | |
| 241 | S | 33 | Very low | 35.8 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | 19 | 131 | 145.5 | 61.3 | 0 | 0 | 0 | 0 | 119 | | |
| 242 | S | 35.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | | 179.7 | 134.2 | 67.3 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 243 | L | 36.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | | 40.7 | 117.6 | 111.2 | -75.1 | 165.6 | 0 | 0 | 0 | 113 | | |
| 244 | T | 33.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | | -179.8 | 146.8 | 52.5 | 33.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 245 | E | 30.8 | Very low | 35.2 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 64.4 | 103.6 | 130.2 | -154 | 171.5 | 179.6 | 0 | 0 | 120.5 | | |
| 246 | T | 37.8 | Very low | 35.3 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -68.3 | 157.2 | 152.2 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 247 | P | 43 | Very low | 35.2 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | | -148.4 | 142.3 | 82.1 | 33 | -12.6 | 0 | 0 | 0 | 116.6 | | |
| 248 | V | 37.3 | Very low | 35.4 | Very low | 128 Ų | 128 | 125 Ų | 125 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -54.7 | 132 | 158.5 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 249 | Q | 36.8 | Very low | 35.4 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -127.7 | 113.9 | 160.4 | -70.1 | -169.8 | 17.9 | 0 | 0 | 110.2 | | |
| 250 | T | 39.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | -83 | 153.9 | 155.8 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 251 | P | 37.9 | Very low | 34.9 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | | -136 | 128.3 | 127.4 | 29.3 | -13.1 | 0 | 0 | 0 | 111.2 | | |
| 252 | T | 27.5 | Very low | 34.7 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | | 76.9 | 123.9 | 89.7 | -56.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 253 | A | 38.3 | Very low | 34.4 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -65 | 149.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 254 | S | 29.6 | Very low | 34.4 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -174.9 | 128.8 | 138.3 | -169 | 0 | 0 | 0 | 0 | 110.4 | | |
| 255 | S | 34.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -88.4 | 143.2 | 158.3 | -53.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 256 | P | 38.3 | Very low | 34.4 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | | -148.5 | 151.5 | 89.1 | 34.6 | -15.4 | 0 | 0 | 0 | 115.1 | | |
| 257 | N | 32.1 | Very low | 34.1 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -74.8 | 172.1 | 159.7 | -74.2 | -23.4 | 0 | 0 | 0 | 109.8 | | |
| 258 | P | 41.4 | Very low | 33.4 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | cis | -136.6 | 166.3 | 6.7 | 38.2 | -19.5 | 0 | 0 | 0 | 115.1 | | |
| 259 | S | 29.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | 155.2 | 126.3 | 133.3 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 260 | Q | 32.8 | Very low | 33.2 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | 46.7 | 137.4 | 143.1 | -61 | -171.3 | 44.3 | 0 | 0 | 123.1 | | |
| 261 | C | 27 | Very low | 32.6 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | 76.3 | 143.2 | 156.5 | -59.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 262 | S | 29.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | cis | 177.3 | 154.1 | -14.9 | 44.7 | 0 | 0 | 0 | 0 | 104.2 | | |
| 263 | A | 29.4 | Very low | 32.5 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | | | trans | 80 | 105.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 264 | S | 35.6 | Very low | 31.9 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | | 45.1 | 110.2 | 115.8 | -144.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 265 | F | 29.8 | Very low | 31.8 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | | | trans | -134.7 | 112.7 | 155.3 | -73.5 | -73.2 | 0 | 0 | 0 | 112.1 | | |
| 266 | R | 33.8 | Very low | 31.5 | Very low | 246 Ų | 246 | 141.6 Ų | 141.6 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | trans | -56.8 | 143.2 | 156.8 | -87 | 175.3 | 168.6 | -135.2 | -1.9 | 110.7 | | |
| 267 | S | 32.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -152.3 | 96.3 | 145.9 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 268 | K | 29.1 | Very low | 30.7 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 81% | 0.809 | 81% | 0.806 | S | S | * | * | | | | 66 | 91.1 | 99.4 | -111.4 | 179.1 | -179.9 | 178.6 | 0 | 113.4 | | |
| 269 | V | 35.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 154 Ų | 154 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | -67.9 | 128.1 | 159.1 | 65.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 270 | N | 32.5 | Very low | 30 | Very low | 153 Ų | 153 | 158.3 Ų | 158.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -96.9 | 115.2 | 166.4 | -87.8 | -14 | 0 | 0 | 0 | 108.3 | | |
| 271 | G | 27.6 | Very low | 29.9 | Very low | 71 Ų | 71 | 157.7 Ų | 157.7 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | -73.1 | 149.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 272 | R | 30.7 | Very low | 30.2 | Very low | 256 Ų | 256 | 160.6 Ų | 160.6 | 97% | 0.966 | 81% | 0.814 | S | S | * | * | | | trans | -126.1 | 140.6 | 153.4 | -116.1 | -178.7 | -164.2 | -169.7 | 4.8 | 108.6 | | |
| 273 | V | 32.1 | Very low | 30.3 | Very low | 130 Ų | 130 | 161.6 Ų | 161.6 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | | | trans | -91.8 | 165.4 | -161.1 | 161.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 274 | M | 26.2 | Very low | 30.3 | Very low | 164 Ų | 164 | 168.7 Ų | 168.7 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | | | trans | 92.9 | 124.6 | 159.7 | -128.4 | 64.7 | 140.2 | 0 | 0 | 113.6 | | |
| 275 | S | 28.8 | Very low | 29.9 | Very low | 97 Ų | 97 | 167.2 Ų | 167.2 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | | | cis | -150.8 | 140.6 | 45.9 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 276 | T | 26.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 163 Ų | 163 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | | | trans | -51.6 | 134.3 | 165.3 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 277 | W | 26.7 | Very low | 30.1 | Very low | 248 Ų | 248 | 158.2 Ų | 158.2 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | | | trans | -135.9 | 133.9 | 143.7 | -79.2 | 98.5 | 0 | 0 | 0 | 110 | | |
| 278 | R | 28.4 | Very low | 30.3 | Very low | 230 Ų | 230 | 162.9 Ų | 162.9 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | | | trans | -92.2 | 127.7 | -162.8 | 174.5 | -166.3 | -71.2 | -102 | 2.2 | 110.2 | | |
| 279 | E | 29.1 | Very low | 30.6 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | 3.5 | 118.9 | 141.5 | -160.7 | 158.8 | -170.1 | 0 | 0 | 117.8 | | |
| 280 | Q | 27.2 | Very low | 30.6 | Very low | 197 Ų | 197 | 160.4 Ų | 160.4 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | trans | -116 | 130.9 | 154.3 | -162.4 | 177 | 31.5 | 0 | 0 | 107.8 | | |
| 281 | K | 30.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 160.2 Ų | 160.2 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | | | trans | -101.6 | 163.5 | -169.2 | -167.2 | -176.2 | -179.2 | -177.7 | 0 | 109.8 | | |
| 282 | E | 32.6 | Very low | 31.2 | Very low | 174 Ų | 174 | 162.5 Ų | 162.5 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | 100.8 | 143 | 157.3 | -54.8 | 171.5 | -163.7 | 0 | 0 | 115.7 | | |
| 283 | D | 30.9 | Very low | 31.5 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | cis | -176.6 | 155.9 | -27.3 | -166.6 | 6.4 | 0 | 0 | 0 | 104.7 | | |
| 284 | W | 29.7 | Very low | 31.6 | Very low | 230 Ų | 230 | 155.4 Ų | 155.4 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | | | trans | 70.7 | 127.7 | 170 | -61.7 | 80.4 | 0 | 0 | 0 | 122.2 | | |
| 285 | G | 27.9 | Very low | 31.7 | Very low | 79 Ų | 79 | 154.1 Ų | 154.1 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | trans | 152 | 85.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 286 | S | 33.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 154 Ų | 154 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -78.6 | 128.3 | 169.6 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 287 | V | 33.3 | Very low | 32.9 | Very low | 146 Ų | 146 | 154.5 Ų | 154.5 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | -149.8 | 132.2 | 152.5 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 288 | R | 36.6 | Very low | 33.4 | Very low | 216 Ų | 216 | 150.1 Ų | 150.1 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | | | trans | -80.4 | 171.2 | 178.2 | -80.7 | 179 | 153.9 | -165 | -4.4 | 113.7 | | |
| 289 | T | 35.2 | Very low | 34.5 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | 91.9 | 137.5 | 153.6 | 76.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 290 | N | 36.1 | Very low | 35.3 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | cis | -155.7 | 167.5 | 26.4 | -99.1 | -30.4 | 0 | 0 | 0 | 113.3 | | |
| 291 | D | 34.6 | Very low | 36.4 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -52.5 | 171.4 | 176.6 | -109.5 | -38.4 | 0 | 0 | 0 | 120.1 | | |
| 292 | V | 39.5 | Very low | 37.6 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | trans | 79.3 | 117.7 | 153.4 | 166.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 293 | T | 35.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | | -173.1 | 144.5 | 74.3 | -44.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 294 | S | 34.8 | Very low | 41.8 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -40.2 | 128.1 | 167.5 | -54.8 | 0 | 0 | 0 | 0 | 115.1 | S296 | S294-S296 PolarHBondContact O-N 3.08Š|
| 295 | C | 29.3 | Very low | 44.5 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 92% | 0.919 | 77% | 0.771 | S | S | * | * | | | trans | -84.6 | 99.9 | 171 | -151 | 0 | 0 | 0 | 0 | 109.1 | | |
| 296 | S | 39.5 | Very low | 47.3 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | -75.2 | 131.1 | 169.7 | 57.3 | 0 | 0 | 0 | 0 | 110.1 | S294 H298 | S294-S296 PolarHBondContact O-N 3.08Å; S296-H298 PolarHBondContact O-N 2.8Å |
| 297 | S | 39.8 | Very low | 49.9 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | | | trans | -63.3 | 96.9 | 173.8 | -49.6 | 0 | 0 | 0 | 0 | 110.7 | K299 | S297-K299 PolarHBondContact O-N 2.86Š|
| 298 | H | 38.7 | Very low | 52.7 | Low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -78.1 | 104.2 | 171.2 | -147.4 | -94.9 | 0 | 0 | 0 | 107.9 | S296 E300 | S296-H298 PolarHBondContact O-N 2.8Å; H298-E300 PolarHBondContact O-N 3.41Å |
| 299 | K | 50.4 | Low | 55.3 | Low | 203 Ų | 203 | 131.2 Ų | 131.2 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | | | trans | -71.3 | 81.7 | 166.3 | -164.9 | -176.9 | -176.4 | -173 | 0 | 106.3 | S297 E301 | S297-K299 PolarHBondContact O-N 2.86Å; K299-E301 VanDerWaalsContact C-N 3.29Å; K299-E301 PolarHBondContact O-N 3.06Å |
| 300 | E | 45.4 | Very low | 58.1 | Low | 165 Ų | 165 | 130.6 Ų | 130.6 | 77% | 0.771 | 72% | 0.716 | S | S | * | * | | | trans | -72.5 | 92.8 | 174.9 | -163.9 | 164.8 | -172.9 | 0 | 0 | 107.1 | H298 S302 | H298-E300 PolarHBondContact O-N 3.41Å; E300-S302 PolarHBondContact O-N 3.22Å |
| 301 | E | 50.5 | Low | 60.7 | Low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | | | trans | -51.4 | 112.6 | 164.9 | -166.5 | 166 | -148.8 | 0 | 0 | 106.3 | K299 S303 | K299-E301 VanDerWaalsContact C-N 3.29Å; K299-E301 PolarHBondContact O-N 3.06Å; E301-S303 PolarHBondContact O-N 2.94Å |
| 302 | S | 56.8 | Low | 63.5 | Low | 122 Ų | 122 | 127.3 Ų | 127.3 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | | | trans | -71.4 | 65.6 | -176.5 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | E300 I304 | E300-S302 PolarHBondContact O-N 3.22Å; S302-I304 PolarHBondContact O-N 3.29Å; S302-I304 VanDerWaalsContact O-N 3.13Å |
| 303 | S | 70.9 | Confident | 65.9 | Low | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | | | trans | -72.2 | 103.6 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | E301 E305 | E301-S303 PolarHBondContact O-N 2.94Å; S303-E305 PolarHBondContact O-N 3.06Å |
| 304 | I | 79.8 | Confident | 68.6 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 49% | 0.492 | 65% | 0.652 | S | S | . | * | | | trans | -63.8 | 125.2 | 170.1 | -172.9 | 165.9 | 0 | 0 | 0 | 108.8 | S302 A306 R308 F309 | S302-I304 PolarHBondContact O-N 3.29Å; S302-I304 VanDerWaalsContact O-N 3.13Å; I304-A306 PolarHBondContact O-N 3.43Å; I304-R308 HydrophobicContact CD1-CB 4.25Å; I304-R308 HydrophobicContact CG1-CB 3.9Å; I304-F309 HydrophobicContact CD1-CB 4.24Å; I304-F309 HydrophobicContact CG1-CB 4.27Å; I304-F309 HydrophobicContact CG2-CB 4.13Å; I304-F309 HydrophobicContact CG2-CD2 4.18Å |
| 305 | E | 87.2 | Confident | 71.3 | Confident | 102 Ų | 102 | 119 Ų | 119 | 48% | 0.477 | 64% | 0.637 | S | S | . | * | | | trans | -55.2 | 134.3 | 173.8 | 179.7 | 176.9 | -154.5 | 0 | 0 | 110 | S303 E307 R308 F309 | S303-E305 PolarHBondContact O-N 3.06Å; E305-E307 HydrophobicContact CG-CB 4.46Å; E305-E307 PolarHBondContact O-N 3.47Å; E305-E307 VanDerWaalsContact O-N 3.09Å; E305-R308 HydrophobicContact CB-CB 4.4Å; E305-R308 HydrophobicContact CB-CG 4.08Å; E305-R308 WeakPolarHBondContact O-CA 3.38Å; E305-R308 WeakPolarHBondContact O-CB 3.46Å; E305-R308 PolarHBondContact O-N 3.31Å; E305-R308 IonicContact OE2-NE 3.14Å; E305-R308 PolarHBondContact OE2-NE 3.33Å; E305-R308 VanDerWaalsContact OE2-NE 3.14Å; E305-F309 PolarHBondContact O-N 3.05Å |
| 306 | A | 85.8 | Confident | 74.3 | Confident | 80 Ų | 80 | 117.4 Ų | 117.4 | 66% | 0.661 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.6 | -35.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I304 F309 Q310 | I304-A306 PolarHBondContact O-N 3.43Å; A306-F309 PolarHBondContact O-N 2.86Å; A306-Q310 PolarHBondContact O-N 2.99Å |
| 307 | E | 89.3 | Confident | 76.5 | Confident | 129 Ų | 129 | 115.6 Ų | 115.6 | 60% | 0.603 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.7 | -37.3 | 176.6 | -59.4 | -166.8 | 176.2 | 0 | 0 | 112.8 | E305 Q310 R311 | E305-E307 HydrophobicContact CG-CB 4.46Å; E305-E307 PolarHBondContact O-N 3.47Å; E305-E307 VanDerWaalsContact O-N 3.09Å; E307-Q310 PolarHBondContact O-N 2.87Å; E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 2.75Å |
| 308 | R | 91 | Very high | 78.7 | Confident | 165 Ų | 165 | 119.3 Ų | 119.3 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.6 | -39.4 | 176.9 | -64.6 | -174.5 | -174.5 | -153.8 | -4.1 | 111.1 | I304 E305 R311 A312 | I304-R308 HydrophobicContact CD1-CB 4.25Å; I304-R308 HydrophobicContact CG1-CB 3.9Å; E305-R308 HydrophobicContact CB-CB 4.4Å; E305-R308 HydrophobicContact CB-CG 4.08Å; E305-R308 WeakPolarHBondContact O-CA 3.38Å; E305-R308 WeakPolarHBondContact O-CB 3.46Å; E305-R308 PolarHBondContact O-N 3.31Å; E305-R308 IonicContact OE2-NE 3.14Å; E305-R308 PolarHBondContact OE2-NE 3.33Å; E305-R308 VanDerWaalsContact OE2-NE 3.14Å; R308-R311 PolarHBondContact O-N 2.84Å; R308-A312 WeakPolarHBondContact O-CB 3.39Å; R308-A312 PolarHBondContact O-N 3.35Å |
| 309 | F | 92.4 | Very high | 80.8 | Confident | 122 Ų | 122 | 118.7 Ų | 118.7 | 54% | 0.535 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.4 | -47.4 | 173.3 | 179.9 | -94.3 | 0 | 0 | 0 | 111.2 | I304 E305 A306 R311 A312 A313 | I304-F309 HydrophobicContact CD1-CB 4.24Å; I304-F309 HydrophobicContact CG1-CB 4.27Å; I304-F309 HydrophobicContact CG2-CB 4.13Å; I304-F309 HydrophobicContact CG2-CD2 4.18Å; E305-F309 PolarHBondContact O-N 3.05Å; A306-F309 PolarHBondContact O-N 2.86Å; F309-R311 PolarHBondContact O-N 3.48Å; F309-A312 PolarHBondContact O-N 3.16Å; F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 3.14Å |
| 310 | Q | 92.4 | Very high | 82.3 | Confident | 106 Ų | 106 | 118.1 Ų | 118.1 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.4 | -41.5 | 179.1 | -170.6 | 61.2 | 47 | 0 | 0 | 112 | A306 E307 A312 A313 D314 | A306-Q310 PolarHBondContact O-N 2.99Å; E307-Q310 PolarHBondContact O-N 2.87Å; Q310-A312 PolarHBondContact O-N 3.07Å; Q310-A313 PolarHBondContact O-N 3.11Å; Q310-D314 PolarHBondContact NE2-OD1 3.33Å; Q310-D314 VanDerWaalsContact NE2-OD1 3.14Å; Q310-D314 PolarHBondContact O-N 3.4Å |
| 311 | R | 92.3 | Very high | 83.5 | Confident | 184 Ų | 184 | 112.6 Ų | 112.6 | 69% | 0.694 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.8 | -42.1 | 174.6 | -75 | -177.2 | -170.9 | -160 | 5.5 | 112.3 | E307 R308 F309 D314 V315 | E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 2.75Å; R308-R311 PolarHBondContact O-N 2.84Å; F309-R311 PolarHBondContact O-N 3.48Å; R311-D314 PolarHBondContact O-N 3.48Å; R311-V315 WeakPolarHBondContact O-CG2 3.34Å; R311-V315 PolarHBondContact O-N 2.9Å; R311-V315 VanDerWaalsContact O-N 3.11Å |
| 312 | A | 91.9 | Very high | 84.2 | Confident | 47 Ų | 47 | 108.2 Ų | 108.2 | 39% | 0.388 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | R308 F309 Q310 D314 V315 L316 | R308-A312 WeakPolarHBondContact O-CB 3.39Å; R308-A312 PolarHBondContact O-N 3.35Å; F309-A312 PolarHBondContact O-N 3.16Å; Q310-A312 PolarHBondContact O-N 3.07Å; A312-D314 PolarHBondContact O-N 2.93Å; A312-V315 PolarHBondContact O-N 3.48Å; A312-L316 WeakPolarHBondContact O-CG 3.33Å; A312-L316 PolarHBondContact O-N 3.19Å |
| 313 | A | 90.4 | Very high | 84.1 | Confident | 36 Ų | 36 | 104.6 Ų | 104.6 | 30% | 0.298 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.8 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F309 Q310 V315 L316 A317 | F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 3.14Å; Q310-A313 PolarHBondContact O-N 3.11Å; A313-V315 PolarHBondContact O-N 3.31Å; A313-L316 PolarHBondContact O-N 3Å; A313-A317 WeakPolarHBondContact O-CB 3.37Å; A313-A317 PolarHBondContact O-N 3.42Å |
| 314 | D | 91.4 | Very high | 83.5 | Confident | 71 Ų | 71 | 104.6 Ų | 104.6 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -39.8 | 177.2 | -80.6 | 9.3 | 0 | 0 | 0 | 112.4 | Q310 R311 A312 A317 R318 | Q310-D314 PolarHBondContact NE2-OD1 3.33Å; Q310-D314 VanDerWaalsContact NE2-OD1 3.14Å; Q310-D314 PolarHBondContact O-N 3.4Å; R311-D314 PolarHBondContact O-N 3.48Å; A312-D314 PolarHBondContact O-N 2.93Å; D314-A317 PolarHBondContact O-N 3.35Å; D314-R318 WeakPolarHBondContact O-CG 3.49Å; D314-R318 PolarHBondContact O-N 3.42Å |
| 315 | V | 92.9 | Very high | 82.2 | Confident | 77 Ų | 77 | 109.1 Ų | 109.1 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -45.6 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | R311 A312 A313 A317 R318 H319 | R311-V315 WeakPolarHBondContact O-CG2 3.34Å; R311-V315 PolarHBondContact O-N 2.9Å; R311-V315 VanDerWaalsContact O-N 3.11Å; A312-V315 PolarHBondContact O-N 3.48Å; A313-V315 PolarHBondContact O-N 3.31Å; V315-A317 VanDerWaalsContact C-N 3.34Å; V315-A317 PolarHBondContact O-N 3.49Å; V315-R318 PolarHBondContact O-N 3.42Å; V315-H319 PolarHBondContact O-CD2 2.88Å; V315-H319 VanDerWaalsContact O-CD2 3.29Å; V315-H319 PolarHBondContact O-N 3.49Å |
| 316 | L | 90.4 | Very high | 80.6 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.8 | -40.3 | 177.5 | -68.5 | 172.8 | 0 | 0 | 0 | 111.8 | A312 A313 R318 H319 Y320 | A312-L316 WeakPolarHBondContact O-CG 3.33Å; A312-L316 PolarHBondContact O-N 3.19Å; A313-L316 PolarHBondContact O-N 3Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.04Å; L316-H319 PolarHBondContact O-N 2.97Å; L316-Y320 HydrophobicContact CD2-CD2 3.96Å; L316-Y320 HydrophobicContact CD2-CE2 3.99Å; L316-Y320 WeakPolarHBondContact O-CB 3.39Å; L316-Y320 PolarHBondContact O-N 3.45Å |
| 317 | A | 86.8 | Confident | 78.8 | Confident | 59 Ų | 59 | 117.8 Ų | 117.8 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.4 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A313 D314 V315 G321 | A313-A317 WeakPolarHBondContact O-CB 3.37Å; A313-A317 PolarHBondContact O-N 3.42Å; D314-A317 PolarHBondContact O-N 3.35Å; V315-A317 VanDerWaalsContact C-N 3.34Å; V315-A317 PolarHBondContact O-N 3.49Å; A317-G321 WeakPolarHBondContact O-CA 3.49Å; A317-G321 PolarHBondContact O-N 3.01Å |
| 318 | R | 85.7 | Confident | 76.4 | Confident | 203 Ų | 203 | 114.4 Ų | 114.4 | 77% | 0.766 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.2 | -40 | 175.7 | -70.1 | 174.7 | -166.9 | -173.4 | 4.7 | 113.2 | D314 V315 L316 | D314-R318 WeakPolarHBondContact O-CG 3.49Å; D314-R318 PolarHBondContact O-N 3.42Å; V315-R318 PolarHBondContact O-N 3.42Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.04Å |
| 319 | H | 83.1 | Confident | 74.5 | Confident | 145 Ų | 145 | 112.8 Ų | 112.8 | 67% | 0.671 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.2 | -30.1 | -174.4 | -80 | -74.8 | 0 | 0 | 0 | 113.7 | V315 L316 | V315-H319 PolarHBondContact O-CD2 2.88Å; V315-H319 VanDerWaalsContact O-CD2 3.29Å; V315-H319 PolarHBondContact O-N 3.49Å; L316-H319 PolarHBondContact O-N 2.97Å |
| 320 | Y | 81.9 | Confident | 72 | Confident | 191 Ų | 191 | 118.3 Ų | 118.3 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -126.7 | -12.7 | -172 | -58.7 | -80.3 | 0 | 0 | 0 | 113.7 | L316 G322 | L316-Y320 HydrophobicContact CD2-CD2 3.96Å; L316-Y320 HydrophobicContact CD2-CE2 3.99Å; L316-Y320 WeakPolarHBondContact O-CB 3.39Å; L316-Y320 PolarHBondContact O-N 3.45Å; Y320-G322 PolarHBondContact O-N 3Å |
| 321 | G | 70.3 | Confident | 69.5 | Low | 48 Ų | 48 | 119.1 Ų | 119.1 | 50% | 0.495 | 65% | 0.646 | S | S | . | * | | | trans | -79.8 | 81.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A317 G323 | A317-G321 WeakPolarHBondContact O-CA 3.49Å; A317-G321 PolarHBondContact O-N 3.01Å; G321-G323 PolarHBondContact O-N 3.09Å; G321-G323 VanDerWaalsContact O-N 3.09Å |
| 322 | G | 65.8 | Low | 66.9 | Low | 83 Ų | 83 | 116.2 Ų | 116.2 | 86% | 0.856 | 65% | 0.654 | S | S | * | * | | | trans | -65.1 | 105.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y320 | Y320-G322 PolarHBondContact O-N 3Š|
| 323 | G | 54.8 | Low | 64.3 | Low | 45 Ų | 45 | 122.4 Ų | 122.4 | 46% | 0.464 | 67% | 0.674 | S | S | . | * | S | Bend | trans | 145.1 | 115.7 | 167 | 0 | 0 | 0 | 0 | 0 | 114.4 | G321 F325 | G321-G323 PolarHBondContact O-N 3.09Å; G321-G323 VanDerWaalsContact O-N 3.09Å; G323-F325 WeakPolarHBondContact O-CD2 3.46Å; G323-F325 WeakPolarHBondContact O-CE2 3.42Å; G323-F325 PolarHBondContact O-N 3.43Å |
| 324 | S | 57.6 | Low | 61.9 | Low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | -54.2 | 112.1 | 171.8 | -179 | 0 | 0 | 0 | 0 | 112 | | |
| 325 | F | 53.9 | Low | 59.4 | Low | 190 Ų | 190 | 131.6 Ų | 131.6 | 83% | 0.833 | 71% | 0.713 | S | S | * | * | | | trans | -116.6 | 91.6 | 153.5 | -36 | -74.8 | 0 | 0 | 0 | 107 | G323 R327 | G323-F325 WeakPolarHBondContact O-CD2 3.46Å; G323-F325 WeakPolarHBondContact O-CE2 3.42Å; G323-F325 PolarHBondContact O-N 3.43Å; F325-R327 VanDerWaalsContact C-N 3.28Å; F325-R327 PolarHBondContact O-N 3.13Å |
| 326 | T | 52.1 | Low | 57 | Low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | -59.1 | 100 | 159.3 | 50.9 | 0 | 0 | 0 | 0 | 107 | G328 | T326-G328 PolarHBondContact O-N 3.3Š|
| 327 | R | 49.3 | Very low | 54.4 | Low | 237 Ų | 237 | 137.8 Ų | 137.8 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | | | trans | -65.3 | 85.1 | 168 | 178.2 | 174.2 | 144.6 | -169.6 | -6 | 107.1 | F325 T329 | F325-R327 VanDerWaalsContact C-N 3.28Å; F325-R327 PolarHBondContact O-N 3.13Å; R327-T329 PolarHBondContact O-N 2.69Å; R327-T329 VanDerWaalsContact O-N 3.16Å |
| 328 | G | 38.9 | Very low | 51.9 | Low | 58 Ų | 58 | 138.5 Ų | 138.5 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | | | trans | -58.4 | 115.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | T326 R330 | T326-G328 PolarHBondContact O-N 3.3Å; G328-R330 PolarHBondContact O-N 2.96Å |
| 329 | T | 49.4 | Very low | 49.6 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -57.4 | 88.5 | 163.2 | 22.4 | 0 | 0 | 0 | 0 | 108.7 | R327 T331 | R327-T329 PolarHBondContact O-N 2.69Å; R327-T329 VanDerWaalsContact O-N 3.16Å; T329-T331 PolarHBondContact O-N 3.06Å |
| 330 | R | 39.8 | Very low | 47.5 | Very low | 237 Ų | 237 | 135 Ų | 135 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | | | trans | -85.7 | 93.6 | 161.1 | -72.8 | -177.2 | 69.7 | 177.7 | 0.9 | 107.3 | G328 S332 | G328-R330 PolarHBondContact O-N 2.96Å; R330-S332 PolarHBondContact O-N 2.91Å |
| 331 | T | 40.8 | Very low | 45.9 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | -56.5 | 107.3 | 159.1 | 48.4 | 0 | 0 | 0 | 0 | 107.7 | T329 Q333 | T329-T331 PolarHBondContact O-N 3.06Å; T331-Q333 VanDerWaalsContact C-N 3.31Å; T331-Q333 PolarHBondContact O-N 3.29Å |
| 332 | S | 37.7 | Very low | 44.9 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -75.4 | 87.9 | 172.4 | -155.5 | 0 | 0 | 0 | 0 | 107.8 | R330 K334 | R330-S332 PolarHBondContact O-N 2.91Å; S332-K334 PolarHBondContact O-N 3.14Å |
| 333 | Q | 38.3 | Very low | 44.1 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -77 | 113.6 | 163 | -76.6 | -155.3 | -14.5 | 0 | 0 | 108.2 | T331 T335 | T331-Q333 VanDerWaalsContact C-N 3.31Å; T331-Q333 PolarHBondContact O-N 3.29Å; Q333-T335 PolarHBondContact O-N 3.22Å |
| 334 | K | 39.5 | Very low | 44.3 | Very low | 199 Ų | 199 | 153.3 Ų | 153.3 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -74.5 | 111.4 | 174.1 | -178.4 | 178.1 | -177.4 | 177.4 | 0 | 108.7 | S332 | S332-K334 PolarHBondContact O-N 3.14Š|
| 335 | T | 38.4 | Very low | 44.4 | Very low | 102 Ų | 102 | 157 Ų | 157 | 63% | 0.626 | 82% | 0.817 | S | S | * | * | | | trans | -116.8 | 136.4 | 160.3 | 50.7 | 0 | 0 | 0 | 0 | 108.8 | Q333 | Q333-T335 PolarHBondContact O-N 3.22Š|
| 336 | P | 43.6 | Very low | 44.4 | Very low | 127 Ų | 127 | 155.3 Ų | 155.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 117.5 | 175.8 | 32.6 | -26 | 0 | 0 | 0 | 108.9 | | |
| 337 | H | 35.6 | Very low | 44.8 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 123.3 | 166.9 | -89.7 | -68.2 | 0 | 0 | 0 | 109.5 | | |
| 338 | G | 34.1 | Very low | 45 | Very low | 74 Ų | 74 | 156.7 Ų | 156.7 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 151.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 339 | L | 35.9 | Very low | 45.3 | Very low | 173 Ų | 173 | 161.6 Ų | 161.6 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 124.8 | 172.2 | -62.7 | 163.3 | 0 | 0 | 0 | 108.8 | | |
| 340 | S | 39.2 | Very low | 45.1 | Very low | 100 Ų | 100 | 163.2 Ų | 163.2 | 70% | 0.699 | 85% | 0.847 | S | S | * | * | | | trans | -108.9 | 108.9 | 155.3 | 61.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 341 | E | 47.9 | Very low | 45.4 | Very low | 186 Ų | 186 | 159.1 Ų | 159.1 | 87% | 0.869 | 84% | 0.844 | S | S | * | * | | | trans | -70.5 | 118.8 | 161.1 | -64.1 | 170.1 | 167.8 | 0 | 0 | 106.7 | | |
| 342 | E | 50.3 | Low | 45.6 | Very low | 176 Ų | 176 | 161.2 Ų | 161.2 | 82% | 0.822 | 85% | 0.849 | S | S | * | * | | | trans | -136.2 | 124.5 | 159.9 | 63.3 | -164.1 | 173.7 | 0 | 0 | 109.1 | | |
| 343 | E | 48.1 | Very low | 46.1 | Very low | 198 Ų | 198 | 163.6 Ų | 163.6 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | | | trans | -78.9 | 122.7 | -166.2 | -57.2 | 170.9 | 138.6 | 0 | 0 | 109.2 | | |
| 344 | E | 60.4 | Low | 46.6 | Very low | 193 Ų | 193 | 162.7 Ų | 162.7 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | | | trans | -93.8 | 105.6 | 170 | -122.6 | -176.7 | -179.4 | 0 | 0 | 109.7 | I346 | E344-I346 PolarHBondContact O-N 2.95Š|
| 345 | E | 58.4 | Low | 47.1 | Very low | 183 Ų | 183 | 160.1 Ų | 160.1 | 86% | 0.855 | 85% | 0.849 | S | S | * | * | | | trans | -64.3 | 112.9 | 175.8 | -172.2 | 179.6 | 176.8 | 0 | 0 | 111 | K347 | E345-K347 PolarHBondContact O-N 3.32Š|
| 346 | I | 54.8 | Low | 47.8 | Very low | 156 Ų | 156 | 164.6 Ų | 164.6 | 80% | 0.8 | 87% | 0.866 | S | S | * | * | | | trans | -82.7 | 109.6 | 172.2 | -59.5 | 169.7 | 0 | 0 | 0 | 108.3 | E344 | E344-I346 PolarHBondContact O-N 2.95Š|
| 347 | K | 60.1 | Low | 48.2 | Very low | 192 Ų | 192 | 167.8 Ų | 167.8 | 84% | 0.835 | 87% | 0.869 | S | S | * | * | | | trans | -89.6 | 118.5 | 171.4 | -163.3 | 167.7 | -177.6 | 178 | 0 | 110.2 | E345 | E345-K347 PolarHBondContact O-N 3.32Š|
| 348 | V | 53.4 | Low | 49.3 | Very low | 201 Ų | 201 | 166.5 Ų | 166.5 | 100% | 1.218 | 87% | 0.872 | S | S | * | * | | | trans | -76.7 | 0 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | | |