| 1 | M | 68.4 | Low | 87.4 | Confident | 247 Ų | 247 | 149.2 Ų | 149.2 | 100% | 1.217 | 80% | 0.802 | S | S | * | * | | | | 0 | 122.1 | 0 | -57.2 | -166.8 | -163.4 | 0 | 0 | 106.8 | | |
| 2 | S | 81.4 | Confident | 87.6 | Confident | 123 Ų | 123 | 147.8 Ų | 147.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 134.1 | 178.6 | -133.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 3 | T | 83.8 | Confident | 87.9 | Confident | 103 Ų | 103 | 142.3 Ų | 142.3 | 63% | 0.632 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 132.7 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | L | 89.4 | Confident | 88.1 | Confident | 174 Ų | 174 | 137.8 Ų | 137.8 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 137.8 | 172.3 | -109.5 | 72.8 | 0 | 0 | 0 | 110.2 | | |
| 5 | F | 90.7 | Very high | 88.1 | Confident | 174 Ų | 174 | 134.3 Ų | 134.3 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | | | trans | -107 | 148.8 | 171.3 | -74.4 | -87.7 | 0 | 0 | 0 | 110.1 | | |
| 6 | P | 93 | Very high | 87.9 | Confident | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -64.9 | 154 | 175 | 28.6 | -34.7 | 0 | 0 | 0 | 111.4 | | |
| 7 | S | 89.8 | Confident | 87.8 | Confident | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -69.1 | 136.6 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | L9 | S7-L9 WeakPolarHBondContact OG-CB 3.44Å; S7-L9 WeakPolarHBondContact OG-CG 3.19Å; S7-L9 PolarHBondContact OG-N 3.27Å |
| 8 | L | 92.8 | Very high | 87.8 | Confident | 171 Ų | 171 | 135.6 Ų | 135.6 | 90% | 0.895 | 72% | 0.721 | S | S | * | * | | | trans | -104.3 | 14.2 | 172.5 | -60.9 | 178 | 0 | 0 | 0 | 111.9 | | |
| 9 | L | 93.9 | Very high | 87.7 | Confident | 141 Ų | 141 | 133.6 Ų | 133.6 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 147.4 | 176.7 | -64.9 | 174.3 | 0 | 0 | 0 | 110.3 | S7 | S7-L9 WeakPolarHBondContact OG-CB 3.44Å; S7-L9 WeakPolarHBondContact OG-CG 3.19Å; S7-L9 PolarHBondContact OG-N 3.27Å |
| 10 | P | 90.1 | Very high | 87.5 | Confident | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 158.9 | 173.8 | 25.2 | -32.5 | 0 | 0 | 0 | 111 | | |
| 11 | R | 88.5 | Confident | 87.3 | Confident | 197 Ų | 197 | 135.1 Ų | 135.1 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 146.2 | 179.3 | -67.1 | 178.5 | 170.1 | 168.3 | -3.8 | 109.8 | T13 | R11-T13 WeakPolarHBondContact CB-O 3.48Å; R11-T13 PolarHBondContact O-N 2.89Å |
| 12 | V | 89.4 | Confident | 87.9 | Confident | 132 Ų | 132 | 132.6 Ų | 132.6 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -70.3 | -23.9 | 177.4 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | W17 | V12-W17 WeakPolarHBondContact O-CH2 3.34Å; V12-W17 WeakPolarHBondContact O-CZ2 3.49Å |
| 13 | T | 92.2 | Very high | 87.8 | Confident | 77 Ų | 77 | 132.5 Ų | 132.5 | 47% | 0.472 | 69% | 0.692 | S | S | . | * | | | trans | -124.3 | 138 | 176.2 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | R11 W17 F18 | R11-T13 WeakPolarHBondContact CB-O 3.48Å; R11-T13 PolarHBondContact O-N 2.89Å; T13-W17 HydrophobicContact CG2-CH2 4.31Å; T13-F18 HydrophobicContact CG2-CD1 4.22Å |
| 14 | E | 90 | Very high | 87.6 | Confident | 79 Ų | 79 | 130.5 Ų | 130.5 | 37% | 0.369 | 68% | 0.681 | S | S | . | * | | | trans | -138.8 | 144.1 | 175.7 | -67 | -70.2 | 166.8 | 0 | 0 | 110.1 | L16 W17 F18 | E14-L16 PolarHBondContact O-N 2.94Å; E14-W17 PolarHBondContact O-N 3.34Å; E14-W17 VanDerWaalsContact O-N 3.11Å; E14-F18 WeakPolarHBondContact O-CA 3.37Å; E14-F18 PolarHBondContact O-N 2.97Å |
| 15 | S | 87.8 | Confident | 87.3 | Confident | 86 Ų | 86 | 126.7 Ų | 126.7 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -4.6 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 113.8 | W17 N19 | S15-W17 VanDerWaalsContact C-N 3.34Å; S15-N19 WeakPolarHBondContact CA-OD1 3.43Å; S15-N19 WeakPolarHBondContact CB-OD1 3.49Å; S15-N19 PolarHBondContact O-ND2 3.03Å; S15-N19 PolarHBondContact O-OD1 3.2Å |
| 16 | L | 85 | Confident | 87.1 | Confident | 163 Ų | 163 | 123.9 Ų | 123.9 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -25.1 | 173.4 | -67.3 | 175.2 | 0 | 0 | 0 | 112.4 | E14 | E14-L16 PolarHBondContact O-N 2.94Š|
| 17 | W | 86.9 | Confident | 87.1 | Confident | 163 Ų | 163 | 126.1 Ų | 126.1 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | -8.4 | -175.2 | 57.5 | -100.4 | 0 | 0 | 0 | 113.4 | V12 T13 E14 S15 | V12-W17 WeakPolarHBondContact O-CH2 3.34Å; V12-W17 WeakPolarHBondContact O-CZ2 3.49Å; T13-W17 HydrophobicContact CG2-CH2 4.31Å; E14-W17 PolarHBondContact O-N 3.34Å; E14-W17 VanDerWaalsContact O-N 3.11Å; S15-W17 VanDerWaalsContact C-N 3.34Å |
| 18 | F | 87.9 | Confident | 87.3 | Confident | 100 Ų | 100 | 125.8 Ų | 125.8 | 44% | 0.439 | 65% | 0.653 | S | S | . | * | | | trans | -129.4 | 90.4 | 172.5 | -172.6 | -104.6 | 0 | 0 | 0 | 110 | T13 E14 L20 | T13-F18 HydrophobicContact CG2-CD1 4.22Å; E14-F18 WeakPolarHBondContact O-CA 3.37Å; E14-F18 PolarHBondContact O-N 2.97Å; F18-L20 HydrophobicContact CE1-CB 4.13Å; F18-L20 HydrophobicContact CZ-CB 4.23Å |
| 19 | N | 86.1 | Confident | 87.3 | Confident | 97 Ų | 97 | 122.1 Ų | 122.1 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | | | trans | -110.7 | 83.8 | 177.5 | -72.7 | -59.9 | 0 | 0 | 0 | 110.5 | S15 | S15-N19 WeakPolarHBondContact CA-OD1 3.43Å; S15-N19 WeakPolarHBondContact CB-OD1 3.49Å; S15-N19 PolarHBondContact O-ND2 3.03Å; S15-N19 PolarHBondContact O-OD1 3.2Å |
| 20 | L | 82.9 | Confident | 87.4 | Confident | 151 Ų | 151 | 119.8 Ų | 119.8 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -73.9 | -36.6 | 177.5 | -168.8 | 69 | 0 | 0 | 0 | 112.1 | F18 | F18-L20 HydrophobicContact CE1-CB 4.13Å; F18-L20 HydrophobicContact CZ-CB 4.23Å |
| 21 | D | 83.9 | Confident | 87.7 | Confident | 149 Ų | 149 | 120.5 Ų | 120.5 | 80% | 0.797 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -109.2 | 71.4 | -179.3 | -172.1 | 19.3 | 0 | 0 | 0 | 109.1 | P23 | D21-P23 VanDerWaalsContact O-CD 3.31Å; D21-P23 WeakPolarHBondContact O-CD 3.44Å |
| 22 | R | 81 | Confident | 88.2 | Confident | 193 Ų | 193 | 117.5 Ų | 117.5 | 73% | 0.728 | 61% | 0.607 | S | S | * | * | | | trans | -75.7 | 119.1 | 174.7 | -172.3 | 178.9 | -168.5 | -131.2 | 2.8 | 106.9 | C24 | R22-C24 PolarHBondContact O-N 2.89Š|
| 23 | P | 78.5 | Confident | 88.6 | Confident | 122 Ų | 122 | 116 Ų | 116 | 79% | 0.792 | 59% | 0.592 | S | S | * | * | | | trans | -61.4 | 105.6 | 171.2 | 23.6 | -30.5 | 0 | 0 | 0 | 108.2 | D21 | D21-P23 VanDerWaalsContact O-CD 3.31Å; D21-P23 WeakPolarHBondContact O-CD 3.44Å |
| 24 | C | 80.6 | Confident | 88.9 | Confident | 61 Ų | 61 | 117.7 Ų | 117.7 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | | | trans | -108.1 | 152.9 | 174.3 | -161.6 | 0 | 0 | 0 | 0 | 108.9 | R22 D26 | R22-C24 PolarHBondContact O-N 2.89Å; C24-D26 WeakPolarHBondContact CB-OD1 3.46Å |
| 25 | V | 82.1 | Confident | 89.3 | Confident | 94 Ų | 94 | 120.5 Ų | 120.5 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | | | trans | -103.4 | 82.4 | 172.4 | -176 | 0 | 0 | 0 | 0 | 107.2 | E27 T28 E29 | V25-E27 PolarHBondContact O-N 3.09Å; V25-E27 VanDerWaalsContact O-N 3.16Å; V25-T28 HydrophobicContact CG1-CG2 3.78Å; V25-T28 PolarHBondContact O-N 2.99Å; V25-T28 VanDerWaalsContact O-N 3.11Å; V25-T28 PolarHBondContact O-OG1 3.27Å; V25-E29 PolarHBondContact O-N 3.22Å |
| 26 | D | 86.1 | Confident | 89.8 | Confident | 114 Ų | 114 | 122.3 Ų | 122.3 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56 | -34.7 | -171.8 | -59.8 | -14.3 | 0 | 0 | 0 | 112.6 | C24 T28 E29 L30 | C24-D26 WeakPolarHBondContact CB-OD1 3.46Å; D26-T28 VanDerWaalsContact C-N 3.35Å; D26-T28 PolarHBondContact O-N 3.29Å; D26-E29 PolarHBondContact O-N 3.37Å; D26-L30 VanDerWaalsContact O-CB 3.31Å; D26-L30 WeakPolarHBondContact O-CB 3.45Å; D26-L30 PolarHBondContact O-N 2.95Å |
| 27 | E | 93.7 | Very high | 90.4 | Very high | 155 Ų | 155 | 119.2 Ų | 119.2 | 72% | 0.724 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.5 | -41.7 | 179.4 | -174.5 | -179.1 | 164.7 | 0 | 0 | 112.6 | V25 Q31 | V25-E27 PolarHBondContact O-N 3.09Å; V25-E27 VanDerWaalsContact O-N 3.16Å; E27-Q31 VanDerWaalsContact O-CB 3.31Å; E27-Q31 WeakPolarHBondContact O-CB 3.43Å; E27-Q31 PolarHBondContact O-N 2.9Å |
| 28 | T | 93.5 | Very high | 91 | Very high | 84 Ų | 84 | 116.3 Ų | 116.3 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.4 | -34.4 | -178.8 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | V25 D26 Q32 | V25-T28 HydrophobicContact CG1-CG2 3.78Å; V25-T28 PolarHBondContact O-N 2.99Å; V25-T28 VanDerWaalsContact O-N 3.11Å; V25-T28 PolarHBondContact O-OG1 3.27Å; D26-T28 VanDerWaalsContact C-N 3.35Å; D26-T28 PolarHBondContact O-N 3.29Å; T28-Q32 WeakPolarHBondContact O-CB 3.31Å; T28-Q32 PolarHBondContact O-N 3.46Å; T28-Q32 VanDerWaalsContact O-N 3.09Å |
| 29 | E | 93.5 | Very high | 91.5 | Very high | 94 Ų | 94 | 115.5 Ų | 115.5 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -46.2 | 175 | -179.3 | 173 | -177.5 | 0 | 0 | 110.3 | V25 D26 Q31 Q32 Q33 | V25-E29 PolarHBondContact O-N 3.22Å; D26-E29 PolarHBondContact O-N 3.37Å; E29-Q31 PolarHBondContact O-N 3.17Å; E29-Q32 WeakPolarHBondContact O-CB 3.48Å; E29-Q32 PolarHBondContact O-N 3.09Å; E29-Q33 WeakPolarHBondContact O-CG 3.32Å; E29-Q33 PolarHBondContact O-N 3.04Å |
| 30 | L | 95.9 | Very high | 92 | Very high | 92 Ų | 92 | 115.9 Ų | 115.9 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.5 | -49 | 176.4 | -177.7 | 63.5 | 0 | 0 | 0 | 111.3 | D26 Q32 Q33 E34 | D26-L30 VanDerWaalsContact O-CB 3.31Å; D26-L30 WeakPolarHBondContact O-CB 3.45Å; D26-L30 PolarHBondContact O-N 2.95Å; L30-Q32 VanDerWaalsContact C-N 3.26Å; L30-Q32 PolarHBondContact O-N 3.11Å; L30-Q33 PolarHBondContact O-N 3.22Å; L30-Q33 VanDerWaalsContact O-N 3.11Å; L30-E34 HydrophobicContact CD1-CG 4.48Å; L30-E34 WeakPolarHBondContact O-CG 3.28Å; L30-E34 PolarHBondContact O-N 3.25Å |
| 31 | Q | 97.2 | Very high | 92.8 | Very high | 127 Ų | 127 | 112 Ų | 112 | 59% | 0.593 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.5 | -37.8 | 178.1 | -178.5 | 175.1 | 58.6 | 0 | 0 | 112.2 | E27 E29 Q35 | E27-Q31 VanDerWaalsContact O-CB 3.31Å; E27-Q31 WeakPolarHBondContact O-CB 3.43Å; E27-Q31 PolarHBondContact O-N 2.9Å; E29-Q31 PolarHBondContact O-N 3.17Å; Q31-Q35 WeakPolarHBondContact O-CB 3.47Å; Q31-Q35 PolarHBondContact O-N 3.32Å |
| 32 | Q | 97.3 | Very high | 93.4 | Very high | 134 Ų | 134 | 110 Ų | 110 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 175.5 | 178.6 | -179.1 | 107.4 | 0 | 0 | 111.3 | T28 E29 L30 Q35 Q36 | T28-Q32 WeakPolarHBondContact O-CB 3.31Å; T28-Q32 PolarHBondContact O-N 3.46Å; T28-Q32 VanDerWaalsContact O-N 3.09Å; E29-Q32 WeakPolarHBondContact O-CB 3.48Å; E29-Q32 PolarHBondContact O-N 3.09Å; L30-Q32 VanDerWaalsContact C-N 3.26Å; L30-Q32 PolarHBondContact O-N 3.11Å; Q32-Q35 PolarHBondContact O-N 2.87Å; Q32-Q36 WeakPolarHBondContact O-CB 3.41Å; Q32-Q36 PolarHBondContact O-N 3.44Å |
| 33 | Q | 97.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 104.6 Ų | 104.6 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 178.6 | -72.3 | 179.5 | -15.7 | 0 | 0 | 111.6 | E29 L30 Q35 Q36 H37 | E29-Q33 WeakPolarHBondContact O-CG 3.32Å; E29-Q33 PolarHBondContact O-N 3.04Å; L30-Q33 PolarHBondContact O-N 3.22Å; L30-Q33 VanDerWaalsContact O-N 3.11Å; Q33-Q35 PolarHBondContact O-N 3.39Å; Q33-Q36 PolarHBondContact O-N 2.91Å; Q33-H37 WeakPolarHBondContact O-CB 3.29Å; Q33-H37 PolarHBondContact O-N 3.35Å |
| 34 | E | 98.2 | Very high | 95.1 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 175.5 | -72.1 | 177.1 | 174.2 | 0 | 0 | 111.4 | L30 Q36 H37 Q38 | L30-E34 HydrophobicContact CD1-CG 4.48Å; L30-E34 WeakPolarHBondContact O-CG 3.28Å; L30-E34 PolarHBondContact O-N 3.25Å; E34-Q36 PolarHBondContact O-N 2.97Å; E34-H37 PolarHBondContact O-N 2.93Å; E34-Q38 VanDerWaalsContact O-CG 3.28Å; E34-Q38 WeakPolarHBondContact O-CG 3.39Å; E34-Q38 PolarHBondContact O-N 2.81Å |
| 35 | Q | 98.5 | Very high | 95.9 | Very high | 138 Ų | 138 | 104.1 Ų | 104.1 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 178.3 | 178.8 | 168.7 | 83.4 | 0 | 0 | 112.4 | Q31 Q32 Q33 H37 Q38 T39 | Q31-Q35 WeakPolarHBondContact O-CB 3.47Å; Q31-Q35 PolarHBondContact O-N 3.32Å; Q32-Q35 PolarHBondContact O-N 2.87Å; Q33-Q35 PolarHBondContact O-N 3.39Å; Q35-H37 VanDerWaalsContact C-N 3.32Å; Q35-Q38 PolarHBondContact O-N 3.39Å; Q35-T39 WeakPolarHBondContact O-CB 3.45Å; Q35-T39 PolarHBondContact O-N 3.29Å; Q35-T39 PolarHBondContact O-OG1 3.46Å |
| 36 | Q | 98.5 | Very high | 96.6 | Very high | 124 Ų | 124 | 105.5 Ų | 105.5 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -46.2 | 175.3 | -172.7 | -170.8 | 3.7 | 0 | 0 | 110.5 | Q32 Q33 E34 Q38 T39 W40 | Q32-Q36 WeakPolarHBondContact O-CB 3.41Å; Q32-Q36 PolarHBondContact O-N 3.44Å; Q33-Q36 PolarHBondContact O-N 2.91Å; E34-Q36 PolarHBondContact O-N 2.97Å; Q36-Q38 PolarHBondContact O-N 3.21Å; Q36-T39 WeakPolarHBondContact O-CB 3.44Å; Q36-T39 PolarHBondContact O-N 2.94Å; Q36-W40 PolarHBondContact O-N 3.09Å |
| 37 | H | 98.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 178.1 | -178 | -107.1 | 0 | 0 | 0 | 111.9 | Q33 E34 Q35 T39 W40 L41 | Q33-H37 WeakPolarHBondContact O-CB 3.29Å; Q33-H37 PolarHBondContact O-N 3.35Å; E34-H37 PolarHBondContact O-N 2.93Å; Q35-H37 VanDerWaalsContact C-N 3.32Å; H37-T39 VanDerWaalsContact C-N 3.32Å; H37-T39 PolarHBondContact O-N 3.49Å; H37-W40 AromaticContact CD2-CE3 3.71Å; H37-W40 AromaticContact CD2-CZ3 3.94Å; H37-W40 AromaticContact NE2-CE3 3.87Å; H37-W40 AromaticContact NE2-CZ3 3.7Å; H37-W40 WeakPolarHBondContact O-CB 3.45Å; H37-W40 PolarHBondContact O-N 3.24Å; H37-L41 WeakPolarHBondContact O-CG 3.31Å; H37-L41 PolarHBondContact O-N 3.42Å |
| 38 | Q | 98.6 | Very high | 97 | Very high | 102 Ų | 102 | 105.1 Ų | 105.1 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.6 | -66.3 | -64.5 | 21.5 | 0 | 0 | 112.7 | E34 Q35 Q36 W40 L41 Q42 | E34-Q38 VanDerWaalsContact O-CG 3.28Å; E34-Q38 WeakPolarHBondContact O-CG 3.39Å; E34-Q38 PolarHBondContact O-N 2.81Å; Q35-Q38 PolarHBondContact O-N 3.39Å; Q36-Q38 PolarHBondContact O-N 3.21Å; Q38-W40 VanDerWaalsContact C-N 3.32Å; Q38-L41 PolarHBondContact O-N 3.48Å; Q38-Q42 WeakPolarHBondContact O-CG 3.31Å; Q38-Q42 PolarHBondContact O-N 3.37Å |
| 39 | T | 98.3 | Very high | 97 | Very high | 83 Ų | 83 | 107.3 Ų | 107.3 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.2 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | Q35 Q36 H37 Q42 S43 | Q35-T39 WeakPolarHBondContact O-CB 3.45Å; Q35-T39 PolarHBondContact O-N 3.29Å; Q35-T39 PolarHBondContact O-OG1 3.46Å; Q36-T39 WeakPolarHBondContact O-CB 3.44Å; Q36-T39 PolarHBondContact O-N 2.94Å; H37-T39 VanDerWaalsContact C-N 3.32Å; H37-T39 PolarHBondContact O-N 3.49Å; T39-Q42 PolarHBondContact O-N 2.87Å; T39-S43 WeakPolarHBondContact O-CB 3.46Å; T39-S43 PolarHBondContact O-N 2.97Å |
| 40 | W | 98.4 | Very high | 96.8 | Very high | 105 Ų | 105 | 109.8 Ų | 109.8 | 40% | 0.398 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.5 | -46.4 | 175.8 | 174 | 75 | 0 | 0 | 0 | 111.8 | Q36 H37 Q38 Q42 S43 I44 I122 | Q36-W40 PolarHBondContact O-N 3.09Å; H37-W40 AromaticContact CD2-CE3 3.71Å; H37-W40 AromaticContact CD2-CZ3 3.94Å; H37-W40 AromaticContact NE2-CE3 3.87Å; H37-W40 AromaticContact NE2-CZ3 3.7Å; H37-W40 WeakPolarHBondContact O-CB 3.45Å; H37-W40 PolarHBondContact O-N 3.24Å; Q38-W40 VanDerWaalsContact C-N 3.32Å; W40-Q42 PolarHBondContact O-N 3.25Å; W40-S43 WeakPolarHBondContact O-CB 3.47Å; W40-S43 PolarHBondContact O-N 3.46Å; W40-I44 HydrophobicContact CD2-CD1 3.8Å; W40-I44 VanDerWaalsContact CE2-CD1 3.45Å; W40-I44 HydrophobicContact CE3-CD1 4.26Å; W40-I44 HydrophobicContact CG-CD1 4.34Å; W40-I44 HydrophobicContact CH2-CD1 4.1Å; W40-I44 HydrophobicContact CZ2-CD1 3.62Å; W40-I44 HydrophobicContact CZ3-CD1 4.4Å; W40-I44 WeakPolarHBondContact O-CG1 2.9Å; W40-I44 PolarHBondContact O-N 3.43Å; W40-I122 WeakPolarHBondContact CZ2-O 3.47Å; W40-I122 PolarHBondContact NE1-O 2.93Å; W40-I122 PolarHBondContact NE1-OXT 2.79Å |
| 41 | L | 98.3 | Very high | 96.5 | Very high | 71 Ų | 71 | 111.7 Ų | 111.7 | 37% | 0.372 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.9 | -43.7 | 175.1 | -69.9 | -179.8 | 0 | 0 | 0 | 112.4 | H37 Q38 S43 I44 A45 | H37-L41 WeakPolarHBondContact O-CG 3.31Å; H37-L41 PolarHBondContact O-N 3.42Å; Q38-L41 PolarHBondContact O-N 3.48Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.31Å; L41-I44 PolarHBondContact O-N 2.99Å; L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 3.43Å |
| 42 | Q | 98.1 | Very high | 95.9 | Very high | 106 Ų | 106 | 111.4 Ų | 111.4 | 50% | 0.495 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 175.1 | -74.7 | 170.1 | 38.4 | 0 | 0 | 111.4 | Q38 T39 W40 I44 A45 E46 | Q38-Q42 WeakPolarHBondContact O-CG 3.31Å; Q38-Q42 PolarHBondContact O-N 3.37Å; T39-Q42 PolarHBondContact O-N 2.87Å; W40-Q42 PolarHBondContact O-N 3.25Å; Q42-I44 PolarHBondContact O-N 2.95Å; Q42-A45 PolarHBondContact O-N 2.92Å; Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 WeakPolarHBondContact O-CG 2.82Å; Q42-E46 PolarHBondContact O-N 3.44Å |
| 43 | S | 97.7 | Very high | 95.5 | Very high | 80 Ų | 80 | 108.9 Ų | 108.9 | 56% | 0.559 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.2 | -30.8 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 112.8 | T39 W40 L41 K47 | T39-S43 WeakPolarHBondContact O-CB 3.46Å; T39-S43 PolarHBondContact O-N 2.97Å; W40-S43 WeakPolarHBondContact O-CB 3.47Å; W40-S43 PolarHBondContact O-N 3.46Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.31Å; S43-K47 WeakPolarHBondContact O-CB 3.49Å; S43-K47 PolarHBondContact O-N 3.2Å |
| 44 | I | 97.5 | Very high | 95.1 | Very high | 92 Ų | 92 | 112.7 Ų | 112.7 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75.4 | -48.3 | 175.3 | -68.1 | 167 | 0 | 0 | 0 | 110.2 | W40 L41 Q42 E46 K47 | W40-I44 HydrophobicContact CD2-CD1 3.8Å; W40-I44 VanDerWaalsContact CE2-CD1 3.45Å; W40-I44 HydrophobicContact CE3-CD1 4.26Å; W40-I44 HydrophobicContact CG-CD1 4.34Å; W40-I44 HydrophobicContact CH2-CD1 4.1Å; W40-I44 HydrophobicContact CZ2-CD1 3.62Å; W40-I44 HydrophobicContact CZ3-CD1 4.4Å; W40-I44 WeakPolarHBondContact O-CG1 2.9Å; W40-I44 PolarHBondContact O-N 3.43Å; L41-I44 PolarHBondContact O-N 2.99Å; Q42-I44 PolarHBondContact O-N 2.95Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 2.94Å; I44-K47 VanDerWaalsContact O-CB 3.29Å; I44-K47 WeakPolarHBondContact O-CB 3.45Å; I44-K47 PolarHBondContact O-N 2.9Å |
| 45 | A | 97 | Very high | 94.5 | Very high | 80 Ų | 80 | 111 Ų | 111 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.1 | -39.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L41 Q42 K47 | L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 3.43Å; Q42-A45 PolarHBondContact O-N 2.92Å; A45-K47 VanDerWaalsContact C-N 3.34Å |
| 46 | E | 96.1 | Very high | 93.3 | Very high | 124 Ų | 124 | 110.8 Ų | 110.8 | 58% | 0.579 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 5.4 | -176.7 | -61 | 178.5 | -178.4 | 0 | 0 | 112.7 | Q42 I44 D48 N49 | Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 WeakPolarHBondContact O-CG 2.82Å; Q42-E46 PolarHBondContact O-N 3.44Å; I44-E46 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 2.94Å; E46-D48 PolarHBondContact O-N 2.92Å; E46-D48 VanDerWaalsContact O-N 3.11Å; E46-N49 WeakPolarHBondContact O-CB 3.46Å; E46-N49 PolarHBondContact O-N 3.18Å |
| 47 | K | 96.3 | Very high | 92 | Very high | 151 Ų | 151 | 108.9 Ų | 108.9 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 120.8 | -177.4 | -172 | 170.3 | 179.5 | 174.6 | 0 | 110.5 | S43 I44 A45 N49 | S43-K47 WeakPolarHBondContact O-CB 3.49Å; S43-K47 PolarHBondContact O-N 3.2Å; I44-K47 VanDerWaalsContact O-CB 3.29Å; I44-K47 WeakPolarHBondContact O-CB 3.45Å; I44-K47 PolarHBondContact O-N 2.9Å; A45-K47 VanDerWaalsContact C-N 3.34Å; K47-N49 PolarHBondContact O-N 3.02Å; K47-N49 VanDerWaalsContact O-N 3.09Å |
| 48 | D | 92.9 | Very high | 90.3 | Very high | 110 Ų | 110 | 110.7 Ų | 110.7 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.9 | 19.1 | 177.1 | -55 | -45.1 | 0 | 0 | 0 | 114.7 | E46 N50 L51 | E46-D48 PolarHBondContact O-N 2.92Å; E46-D48 VanDerWaalsContact O-N 3.11Å; D48-N50 PolarHBondContact O-N 3.49Å; D48-L51 HydrophobicContact CB-CB 4.39Å; D48-L51 WeakPolarHBondContact O-CB 3.45Å; D48-L51 PolarHBondContact O-N 3.09Å |
| 49 | N | 92.4 | Very high | 88.3 | Confident | 130 Ų | 130 | 113.8 Ų | 113.8 | 70% | 0.695 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -36.8 | 179.8 | -179.9 | -81.1 | 0 | 0 | 0 | 112.5 | E46 K47 L51 | E46-N49 WeakPolarHBondContact O-CB 3.46Å; E46-N49 PolarHBondContact O-N 3.18Å; K47-N49 PolarHBondContact O-N 3.02Å; K47-N49 VanDerWaalsContact O-N 3.09Å; N49-L51 PolarHBondContact O-N 3Å |
| 50 | N | 89.2 | Confident | 86.1 | Confident | 145 Ų | 145 | 115.5 Ų | 115.5 | 78% | 0.775 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 5.8 | 178.2 | 37.1 | -67.6 | 0 | 0 | 0 | 114 | D48 M52 | D48-N50 PolarHBondContact O-N 3.49Å; N50-M52 PolarHBondContact O-N 3.19Å |
| 51 | L | 89.3 | Confident | 84 | Confident | 132 Ų | 132 | 115.7 Ų | 115.7 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | | | trans | -81.4 | 112.3 | 172 | -172.1 | 71.7 | 0 | 0 | 0 | 110.2 | D48 N49 | D48-L51 HydrophobicContact CB-CB 4.39Å; D48-L51 WeakPolarHBondContact O-CB 3.45Å; D48-L51 PolarHBondContact O-N 3.09Å; N49-L51 PolarHBondContact O-N 3Å |
| 52 | M | 85.3 | Confident | 81.9 | Confident | 121 Ų | 121 | 115.2 Ų | 115.2 | 60% | 0.596 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130.1 | 174.8 | -71.3 | -66.8 | -68.6 | 0 | 0 | 111 | N50 K56 | N50-M52 PolarHBondContact O-N 3.19Å; M52-K56 HydrophobicContact CE-CB 3.93Å |
| 53 | P | 88.8 | Confident | 79.3 | Confident | 81 Ų | 81 | 117.8 Ų | 117.8 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 149.6 | 177.2 | 29.1 | -34.9 | 0 | 0 | 0 | 111 | G55 K56 | P53-G55 PolarHBondContact O-N 3.16Å; P53-K56 HydrophobicContact CG-CB 4.35Å; P53-K56 HydrophobicContact CG-CG 3.67Å; P53-K56 PolarHBondContact O-N 2.82Å |
| 54 | I | 88.6 | Confident | 77.4 | Confident | 183 Ų | 183 | 123.4 Ų | 123.4 | 94% | 0.938 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 126.3 | 178.8 | -59.5 | 173.6 | 0 | 0 | 0 | 109.2 | | |
| 55 | G | 85.5 | Confident | 75.2 | Confident | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.2 | -6.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P53 | P53-G55 PolarHBondContact O-N 3.16Š|
| 56 | K | 74.9 | Confident | 73 | Confident | 134 Ų | 134 | 131.6 Ų | 131.6 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | | | trans | -82.9 | 124.6 | 168.1 | -70.1 | -70 | -172.2 | 165.7 | 0 | 110 | M52 P53 | M52-K56 HydrophobicContact CE-CB 3.93Å; P53-K56 HydrophobicContact CG-CB 4.35Å; P53-K56 HydrophobicContact CG-CG 3.67Å; P53-K56 PolarHBondContact O-N 2.82Å |
| 57 | P | 71.5 | Confident | 71.1 | Confident | 83 Ų | 83 | 134.7 Ų | 134.7 | 54% | 0.539 | 72% | 0.717 | S | S | . | * | | | trans | -67.3 | 141.6 | 178.2 | 28 | -33 | 0 | 0 | 0 | 110.6 | F59 | P57-F59 PolarHBondContact O-N 3.11Š|
| 58 | V | 62.4 | Low | 69.1 | Low | 136 Ų | 136 | 136.1 Ų | 136.1 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -3.6 | -178.8 | 176 | 0 | 0 | 0 | 0 | 113.4 | | |
| 59 | F | 55.5 | Low | 67.4 | Low | 168 Ų | 168 | 139.2 Ų | 139.2 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 17.7 | -161.2 | -131.7 | -88.3 | 0 | 0 | 0 | 116.1 | P57 | P57-F59 PolarHBondContact O-N 3.11Š|
| 60 | E | 53 | Low | 65.9 | Low | 119 Ų | 119 | 140.5 Ų | 140.5 | 56% | 0.556 | 74% | 0.744 | S | S | * | * | | | trans | -112.6 | 45.5 | -179.8 | -161.8 | 156.9 | -126.6 | 0 | 0 | 111.4 | | |
| 61 | A | 54 | Low | 64.6 | Low | 108 Ų | 108 | 140.5 Ų | 140.5 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -108.2 | 20.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 62 | G | 53.3 | Low | 63.2 | Low | 62 Ų | 62 | 142.7 Ų | 142.7 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -149.8 | 13.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 63 | Y | 44.9 | Very low | 62.3 | Low | 160 Ų | 160 | 143.6 Ų | 143.6 | 63% | 0.627 | 76% | 0.757 | S | S | * | * | | | trans | -123.3 | 108.1 | 168.6 | -50.2 | -74.8 | 0 | 0 | 0 | 105.9 | E65 | Y63-E65 PolarHBondContact O-N 3.46Š|
| 64 | E | 56.4 | Low | 61.2 | Low | 198 Ų | 198 | 148.2 Ų | 148.2 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -55.7 | 93.6 | 165.3 | -67.6 | 164.4 | 168.2 | 0 | 0 | 106.4 | | |
| 65 | E | 51.4 | Low | 59.9 | Low | 171 Ų | 171 | 146.7 Ų | 146.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -74.9 | 126.9 | 168.9 | -165.9 | 166.1 | -153.6 | 0 | 0 | 106.3 | Y63 | Y63-E65 PolarHBondContact O-N 3.46Š|
| 66 | E | 50.7 | Low | 58.9 | Low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -64.5 | 150.2 | -157.8 | -55.9 | -161.4 | 169 | 0 | 0 | 112.4 | E68 | E66-E68 PolarHBondContact O-N 2.93Š|
| 67 | E | 56.1 | Low | 58.4 | Low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | trans | -54.1 | 103.2 | 174.6 | -61.2 | -178.1 | 171.1 | 0 | 0 | 109.8 | E69 | E67-E69 PolarHBondContact O-N 3.33Š|
| 68 | E | 54.6 | Low | 57.9 | Low | 181 Ų | 181 | 151.4 Ų | 151.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -74 | 107.1 | 163.9 | -63.8 | -73.7 | 169.2 | 0 | 0 | 106.4 | E66 D70 | E66-E68 PolarHBondContact O-N 2.93Å; E68-D70 PolarHBondContact O-N 3Å |
| 69 | E | 57.1 | Low | 57.8 | Low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -62.9 | 101.5 | 167.2 | -67.6 | -166.1 | 176.6 | 0 | 0 | 107.8 | E67 D71 | E67-E69 PolarHBondContact O-N 3.33Å; E69-D71 PolarHBondContact O-N 2.89Å |
| 70 | D | 61.9 | Low | 58.1 | Low | 158 Ų | 158 | 151.2 Ų | 151.2 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | -75.5 | 102.4 | 171.3 | -160.7 | 28.5 | 0 | 0 | 0 | 107.4 | E68 E72 | E68-D70 PolarHBondContact O-N 3Å; D70-E72 PolarHBondContact O-N 3.11Å |
| 71 | D | 61.6 | Low | 58.6 | Low | 144 Ų | 144 | 150 Ų | 150 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -51.1 | 125.4 | 174.8 | -90.9 | -42.9 | 0 | 0 | 0 | 109.7 | E69 D73 | E69-D71 PolarHBondContact O-N 2.89Å; D71-D73 PolarHBondContact O-N 2.9Å |
| 72 | E | 60.1 | Low | 59 | Low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -61.2 | 91.5 | 173.5 | -64.7 | 175.6 | 176.1 | 0 | 0 | 110.3 | D70 E74 | D70-E72 PolarHBondContact O-N 3.11Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 3.24Å; E72-E74 VanDerWaalsContact O-N 3.09Å |
| 73 | D | 66 | Low | 59.5 | Low | 140 Ų | 140 | 156.3 Ų | 156.3 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | trans | -77.9 | 88 | 165.6 | -117.1 | -7.6 | 0 | 0 | 0 | 108.6 | D71 E75 | D71-D73 PolarHBondContact O-N 2.9Å; D73-E75 HydrophobicContact CB-CG 4.4Å; D73-E75 PolarHBondContact O-N 3.43Å |
| 74 | E | 66.4 | Low | 60.3 | Low | 178 Ų | 178 | 157.3 Ų | 157.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -67 | 80.6 | 159.3 | -74.2 | -169.5 | 167 | 0 | 0 | 109.1 | E72 | E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 3.24Å; E72-E74 VanDerWaalsContact O-N 3.09Å |
| 75 | E | 61.1 | Low | 60.5 | Low | 151 Ų | 151 | 155.4 Ų | 155.4 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -114.1 | 100.6 | 174.5 | -71.3 | -74 | 179.1 | 0 | 0 | 110.9 | D73 | D73-E75 HydrophobicContact CB-CG 4.4Å; D73-E75 PolarHBondContact O-N 3.43Å |
| 76 | D | 64.1 | Low | 61.1 | Low | 119 Ų | 119 | 153.8 Ų | 153.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | 51.4 | 102.5 | 148.7 | -134.6 | -2.8 | 0 | 0 | 0 | 119.9 | E78 | D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.45Å |
| 77 | S | 64.2 | Low | 61.7 | Low | 119 Ų | 119 | 154.7 Ų | 154.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -76.4 | 82.2 | 162.8 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | E79 | S77-E79 PolarHBondContact O-N 2.86Š|
| 78 | E | 61.9 | Low | 62.1 | Low | 154 Ų | 154 | 153.5 Ų | 153.5 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -69.9 | 87.1 | 163 | -69.6 | -76.5 | -167.2 | 0 | 0 | 107.8 | D76 D80 | D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.45Å; E78-D80 PolarHBondContact O-N 2.98Å |
| 79 | E | 59.7 | Low | 62.4 | Low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -65.2 | 84.2 | 166.7 | -174.5 | 171 | -175.2 | 0 | 0 | 108.2 | S77 S81 | S77-E79 PolarHBondContact O-N 2.86Å; E79-S81 PolarHBondContact O-N 3.45Å |
| 80 | D | 60.8 | Low | 62.7 | Low | 129 Ų | 129 | 151.8 Ų | 151.8 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | trans | -75.9 | 80.5 | 168.5 | -166.4 | 31 | 0 | 0 | 0 | 108.6 | E78 E82 | E78-D80 PolarHBondContact O-N 2.98Å; D80-E82 PolarHBondContact O-N 3.11Å; D80-E82 VanDerWaalsContact O-N 3.09Å |
| 81 | S | 63.8 | Low | 62.6 | Low | 93 Ų | 93 | 152.5 Ų | 152.5 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | -77.9 | 77.4 | 168.1 | 64.6 | 0 | 0 | 0 | 0 | 109 | E79 D83 | E79-S81 PolarHBondContact O-N 3.45Å; S81-D83 PolarHBondContact O-N 2.76Å |
| 82 | E | 62.7 | Low | 62.6 | Low | 169 Ų | 169 | 153.5 Ų | 153.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -74.5 | 81.8 | 160.6 | -69 | -162.8 | 156 | 0 | 0 | 108.7 | D80 E84 | D80-E82 PolarHBondContact O-N 3.11Å; D80-E82 VanDerWaalsContact O-N 3.09Å; E82-E84 PolarHBondContact O-N 2.68Å |
| 83 | D | 65 | Low | 62.9 | Low | 134 Ų | 134 | 154 Ų | 154 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | trans | -74.1 | 96.2 | 153.2 | 173.8 | 42.9 | 0 | 0 | 0 | 108.1 | S81 | S81-D83 PolarHBondContact O-N 2.76Š|
| 84 | E | 61.1 | Low | 62.7 | Low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -147 | 95.6 | 151.6 | -71.7 | -152.1 | 177.1 | 0 | 0 | 110.4 | E82 D86 | E82-E84 PolarHBondContact O-N 2.68Å; E84-D86 PolarHBondContact O-N 3.45Å |
| 85 | E | 61.2 | Low | 62.4 | Low | 158 Ų | 158 | 151.9 Ų | 151.9 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | | 36.3 | 86.8 | 115.9 | -62.6 | -88.1 | -173.1 | 0 | 0 | 116.4 | | |
| 86 | D | 63.1 | Low | 62.4 | Low | 136 Ų | 136 | 153.9 Ų | 153.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -159.8 | 77.8 | 136.8 | -142 | -6.9 | 0 | 0 | 0 | 113 | E84 | E84-D86 PolarHBondContact O-N 3.45Š|
| 87 | M | 63.6 | Low | 62.1 | Low | 192 Ų | 192 | 155.1 Ų | 155.1 | 95% | 0.946 | 78% | 0.784 | S | S | * | * | | | trans | -101 | 22.7 | 162.6 | -66.8 | -166.4 | -122.5 | 0 | 0 | 111.9 | | |
| 88 | Q | 64 | Low | 62 | Low | 163 Ų | 163 | 157.1 Ų | 157.1 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -105.6 | 61.2 | 177.6 | -76.3 | 179.3 | 38.9 | 0 | 0 | 111.8 | | |
| 89 | D | 61.8 | Low | 61.9 | Low | 138 Ų | 138 | 154.9 Ų | 154.9 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -155.6 | 31.4 | 158.7 | -130.7 | 4.8 | 0 | 0 | 0 | 115.5 | | |
| 90 | M | 62 | Low | 62 | Low | 183 Ų | 183 | 153 Ų | 153 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -109.3 | 9.9 | 173.2 | -145.1 | -167.4 | 167.8 | 0 | 0 | 114.6 | | |
| 91 | D | 60.8 | Low | 61.8 | Low | 172 Ų | 172 | 153.3 Ų | 153.3 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -106.3 | 12.3 | 175.3 | -75.5 | -26.5 | 0 | 0 | 0 | 113.5 | | |
| 92 | E | 61.9 | Low | 61.5 | Low | 165 Ų | 165 | 155.7 Ų | 155.7 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -118.3 | 40.8 | -179.9 | -165.8 | 150.1 | -160.2 | 0 | 0 | 114.5 | | |
| 93 | M | 65.2 | Low | 60.9 | Low | 189 Ų | 189 | 150.9 Ų | 150.9 | 93% | 0.931 | 79% | 0.787 | S | S | * | * | | | trans | -145.9 | 48.4 | 157.9 | -89.6 | -147.1 | -164.8 | 0 | 0 | 113.1 | | |
| 94 | N | 62.7 | Low | 60.2 | Low | 131 Ų | 131 | 152.2 Ų | 152.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -108.1 | 49.7 | 155.4 | -165.7 | 25.8 | 0 | 0 | 0 | 110.3 | Y96 | N94-Y96 PolarHBondContact O-N 2.9Š|
| 95 | D | 59.7 | Low | 59.9 | Low | 143 Ų | 143 | 151.9 Ų | 151.9 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -77.4 | 100.2 | 162.3 | -162 | 15.4 | 0 | 0 | 0 | 106.9 | N97 | D95-N97 PolarHBondContact O-N 2.78Š|
| 96 | Y | 60.3 | Low | 59.4 | Low | 193 Ų | 193 | 150.4 Ų | 150.4 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | -46.3 | 100.6 | 169.4 | -93.9 | -104.5 | 0 | 0 | 0 | 110 | N94 | N94-Y96 PolarHBondContact O-N 2.9Š|
| 97 | N | 59.3 | Low | 59 | Low | 144 Ų | 144 | 153.1 Ų | 153.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -97.2 | 88.9 | 150.5 | -96.4 | -42.3 | 0 | 0 | 0 | 107.5 | D95 | D95-N97 PolarHBondContact O-N 2.78Š|
| 98 | E | 61.8 | Low | 58.6 | Low | 162 Ų | 162 | 150.5 Ų | 150.5 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | | 32.6 | 106.4 | 127.8 | -157.5 | 155.2 | -143.9 | 0 | 0 | 114.2 | | |
| 99 | S | 60.3 | Low | 57.7 | Low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -34.7 | 126.9 | 166 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | D101 | S99-D101 PolarHBondContact O-N 3.28Š|
| 100 | P | 61.6 | Low | 57.3 | Low | 131 Ų | 131 | 152.4 Ų | 152.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -60.7 | 104.8 | 159.6 | -13.4 | 27.4 | 0 | 0 | 0 | 105.7 | | |
| 101 | D | 55.5 | Low | 56.8 | Low | 135 Ų | 135 | 152.2 Ų | 152.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -28.6 | 155.5 | 154 | -172.2 | 38.4 | 0 | 0 | 0 | 112.4 | S99 | S99-D101 PolarHBondContact O-N 3.28Š|
| 102 | D | 58.3 | Low | 56.1 | Low | 142 Ų | 142 | 147.7 Ų | 147.7 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -40.1 | 144 | -175.3 | 78.4 | 61.9 | 0 | 0 | 0 | 114.7 | | |
| 103 | G | 49 | Very low | 55.3 | Low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -170.8 | 75.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 104 | E | 50.8 | Low | 54.7 | Low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | 32.2 | 101.2 | 152.5 | -63.1 | -97 | 135.7 | 0 | 0 | 116 | N106 | E104-N106 VanDerWaalsContact C-N 3.26Å; E104-N106 PolarHBondContact O-N 2.85Å |
| 105 | I | 54.9 | Low | 54.2 | Low | 174 Ų | 174 | 144 Ų | 144 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | | | trans | -61.8 | 89.7 | 161 | 47 | 160.4 | 0 | 0 | 0 | 109.3 | E107 | I105-E107 PolarHBondContact O-N 3.43Å; I105-E107 VanDerWaalsContact O-N 3.1Å |
| 106 | N | 49.9 | Very low | 54 | Low | 128 Ų | 128 | 143 Ų | 143 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | | | trans | -65.1 | 111.5 | 164.7 | -81 | -53 | 0 | 0 | 0 | 107.8 | E104 V108 | E104-N106 VanDerWaalsContact C-N 3.26Å; E104-N106 PolarHBondContact O-N 2.85Å; N106-V108 PolarHBondContact O-N 3.23Å |
| 107 | E | 55.8 | Low | 53.8 | Low | 193 Ų | 193 | 141.9 Ų | 141.9 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -55.8 | 91.8 | 166.9 | 47.4 | -168.7 | 166.3 | 0 | 0 | 110.6 | I105 | I105-E107 PolarHBondContact O-N 3.43Å; I105-E107 VanDerWaalsContact O-N 3.1Å |
| 108 | V | 55.3 | Low | 53.7 | Low | 136 Ų | 136 | 142 Ų | 142 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -102.7 | 96.2 | 166.5 | -92 | 0 | 0 | 0 | 0 | 109.3 | N106 | N106-V108 PolarHBondContact O-N 3.23Š|
| 109 | D | 43.9 | Very low | 53.4 | Low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 37.5 | 110.2 | 143.2 | -131.2 | 9.5 | 0 | 0 | 0 | 118.3 | E111 | D109-E111 PolarHBondContact O-N 3.21Š|
| 110 | M | 53.9 | Low | 53.5 | Low | 191 Ų | 191 | 147.2 Ų | 147.2 | 94% | 0.941 | 79% | 0.789 | S | S | * | * | | | trans | -67.2 | 95.9 | 164.8 | -79.4 | -139.7 | -67.8 | 0 | 0 | 110.2 | | |
| 111 | E | 51.4 | Low | 53.2 | Low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -149.3 | 103.6 | 160.8 | -164.4 | 100.1 | -137.2 | 0 | 0 | 110.4 | D109 | D109-E111 PolarHBondContact O-N 3.21Š|
| 112 | G | 47.3 | Very low | 53.3 | Low | 78 Ų | 78 | 151.1 Ų | 151.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | 88.4 | 97.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 113 | A | 45.1 | Very low | 53.1 | Low | 78 Ų | 78 | 151.6 Ų | 151.6 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | | | | -177.6 | 94.7 | 125.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q115 | A113-Q115 HydrophobicContact CB-CG 4.12Å; A113-Q115 PolarHBondContact O-N 2.86Å |
| 114 | D | 51.4 | Low | 53.3 | Low | 169 Ų | 169 | 156 Ų | 156 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -57 | 92.5 | 152.1 | -72.4 | -70.6 | 0 | 0 | 0 | 106.7 | D116 | D114-D116 PolarHBondContact O-N 3.04Š|
| 115 | Q | 53.3 | Low | 53.4 | Low | 159 Ų | 159 | 155.6 Ų | 155.6 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | -75.7 | 109.1 | 174.2 | -73.2 | -178.4 | -1.9 | 0 | 0 | 107.4 | A113 Q117 | A113-Q115 HydrophobicContact CB-CG 4.12Å; A113-Q115 PolarHBondContact O-N 2.86Å; Q115-Q117 PolarHBondContact O-N 2.92Å |
| 116 | D | 55.7 | Low | 53.4 | Low | 123 Ų | 123 | 154.5 Ų | 154.5 | 66% | 0.658 | 80% | 0.802 | S | S | * | * | | | trans | -44.4 | 97.4 | 168 | -65.2 | -71.2 | 0 | 0 | 0 | 111.1 | D114 D118 | D114-D116 PolarHBondContact O-N 3.04Å; D116-D118 PolarHBondContact O-N 3.1Å |
| 117 | Q | 55.4 | Low | 53.6 | Low | 169 Ų | 169 | 156.2 Ų | 156.2 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 3.7 | 171.1 | -67.5 | -166.1 | 16.5 | 0 | 0 | 112.8 | Q115 | Q115-Q117 PolarHBondContact O-N 2.92Š|
| 118 | D | 56.6 | Low | 53.4 | Low | 146 Ų | 146 | 153.7 Ų | 153.7 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 10.5 | -174.5 | -65.4 | -25.3 | 0 | 0 | 0 | 114.1 | D116 W120 | D116-D118 PolarHBondContact O-N 3.1Å; D118-W120 PolarHBondContact O-N 2.81Å |
| 119 | Q | 56 | Low | 53.3 | Low | 144 Ų | 144 | 155 Ų | 155 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 3 | -174.5 | -72.7 | -168.3 | 88.6 | 0 | 0 | 115.9 | | |
| 120 | W | 62.9 | Low | 54 | Low | 236 Ų | 236 | 155.4 Ų | 155.4 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 10.6 | -176.6 | -55.7 | 107.5 | 0 | 0 | 0 | 114.8 | D118 | D118-W120 PolarHBondContact O-N 2.81Š|
| 121 | M | 54 | Low | 54 | Low | 162 Ų | 162 | 152.4 Ų | 152.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -113.4 | 84.6 | 174.6 | -65.2 | -74.3 | -80.8 | 0 | 0 | 109.6 | | |
| 122 | I | 58.9 | Low | 54.3 | Low | 186 Ų | 186 | 150 Ų | 150 | 95% | 0.954 | 79% | 0.786 | S | S | * | * | | | trans | -130.5 | 0 | 162.7 | -63.8 | 177.1 | 0 | 0 | 0 | 108.4 | W40 | W40-I122 WeakPolarHBondContact CZ2-O 3.47Å; W40-I122 PolarHBondContact NE1-O 2.93Å; W40-I122 PolarHBondContact NE1-OXT 2.79Å |