| 1 | K | 50.1 | Low | 57.3 | Low | 263 Ų | 263 | 143.5 Ų | 143.5 | 100% | 1.143 | 80% | 0.796 | S | S | * | * | | | | 0 | 106.1 | 0 | -61 | 179.4 | -177.3 | 179.6 | 0 | 106.5 | | |
| 2 | N | 56.3 | Low | 57.4 | Low | 171 Ų | 171 | 144.2 Ų | 144.2 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | | | trans | -72 | 133.1 | -177.5 | -63.4 | -22.8 | 0 | 0 | 0 | 109.3 | | |
| 3 | A | 55.9 | Low | 57.6 | Low | 103 Ų | 103 | 141.5 Ų | 141.5 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -125.4 | 118.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 4 | L | 56.1 | Low | 57.5 | Low | 176 Ų | 176 | 142.4 Ų | 142.4 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -73.9 | 148 | -177.8 | -71.9 | 146.2 | 0 | 0 | 0 | 111.3 | | |
| 5 | A | 59.4 | Low | 57.8 | Low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -73.7 | 165.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 6 | P | 57.7 | Low | 57.6 | Low | 134 Ų | 134 | 137.4 Ų | 137.4 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | | | trans | -111.7 | 138.5 | 154.4 | 7 | 14.8 | 0 | 0 | 0 | 113.6 | | |
| 7 | R | 62 | Low | 57.8 | Low | 221 Ų | 221 | 137.9 Ų | 137.9 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -85.2 | 151.5 | -173.5 | -60.8 | 152.6 | 72 | 129.4 | -3.5 | 111.5 | | |
| 8 | A | 57.8 | Low | 57.9 | Low | 78 Ų | 78 | 139.1 Ų | 139.1 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | | | trans | -172.5 | 138.8 | 130.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F10 | A8-F10 HydrophobicContact CB-CE2 4.43Š|
| 9 | N | 63.4 | Low | 57.8 | Low | 77 Ų | 77 | 138.5 Ų | 138.5 | 41% | 0.412 | 78% | 0.782 | S | S | . | * | | | trans | -125.9 | 142.7 | 165.9 | -13.1 | -87.9 | 0 | 0 | 0 | 107.4 | K25 | N9-K25 HydrophobicContact CB-CB 4.36Å; N9-K25 VanDerWaalsContact CG-CB 3.49Å; N9-K25 VanDerWaalsContact CG-NZ 3.34Å; N9-K25 WeakPolarHBondContact ND2-CD 3.39Å; N9-K25 WeakPolarHBondContact ND2-CE 3.49Å; N9-K25 WeakPolarHBondContact ND2-CG 3.15Å; N9-K25 PolarHBondContact ND2-NZ 3.07Å; N9-K25 WeakPolarHBondContact OD1-CB 3.3Å; N9-K25 WeakPolarHBondContact OD1-CD 3.33Å; N9-K25 WeakPolarHBondContact OD1-CE 3.5Å; N9-K25 WeakPolarHBondContact OD1-CG 3.4Å; N9-K25 PolarHBondContact OD1-NZ 2.78Å |
| 10 | F | 54.3 | Low | 57.8 | Low | 199 Ų | 199 | 137.8 Ų | 137.8 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | | | trans | -109.8 | 115.3 | 169.7 | -65.4 | -77.6 | 0 | 0 | 0 | 108.6 | A8 | A8-F10 HydrophobicContact CB-CE2 4.43Š|
| 11 | A | 57.5 | Low | 57.6 | Low | 61 Ų | 61 | 138.1 Ų | 138.1 | 50% | 0.504 | 77% | 0.773 | S | S | . | * | | | trans | -108.3 | 130.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 12 | V | 58.2 | Low | 57.9 | Low | 152 Ų | 152 | 131.1 Ų | 131.1 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | | | trans | -78.6 | 119.1 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 13 | L | 60.5 | Low | 57.9 | Low | 110 Ų | 110 | 128.1 Ų | 128.1 | 58% | 0.576 | 75% | 0.753 | S | S | * | * | | | trans | -101.1 | 111.6 | -179 | 176.8 | 57.5 | 0 | 0 | 0 | 109.9 | | |
| 14 | N | 56.3 | Low | 57.9 | Low | 153 Ų | 153 | 126.3 Ų | 126.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -82.5 | 117.7 | 162.6 | -173.2 | 8.4 | 0 | 0 | 0 | 108.6 | N16 | N14-N16 PolarHBondContact O-N 3.36Š|
| 15 | G | 61.3 | Low | 58 | Low | 59 Ų | 59 | 122.9 Ų | 122.9 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | | | trans | -86.5 | 100 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 16 | N | 54.3 | Low | 58.1 | Low | 146 Ų | 146 | 125.2 Ų | 125.2 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | | | trans | -128.7 | 110.5 | 153.6 | 172.7 | -8.2 | 0 | 0 | 0 | 106.8 | N14 N18 | N14-N16 PolarHBondContact O-N 3.36Å; N16-N18 PolarHBondContact O-N 3.33Å |
| 17 | N | 60.8 | Low | 58.1 | Low | 147 Ų | 147 | 124.7 Ų | 124.7 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | | | trans | -82.2 | 104.2 | -176.1 | -65.8 | -28.1 | 0 | 0 | 0 | 109.7 | | |
| 18 | N | 59.4 | Low | 58.1 | Low | 158 Ų | 158 | 122 Ų | 122 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | | | trans | -173.2 | 17.5 | 134.4 | -125.4 | 36.9 | 0 | 0 | 0 | 116.7 | N16 | N16-N18 PolarHBondContact O-N 3.33Š|
| 19 | V | 56.6 | Low | 58.5 | Low | 128 Ų | 128 | 129.6 Ų | 129.6 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -108.5 | 131.7 | 174.9 | -172.8 | 0 | 0 | 0 | 0 | 109 | R21 | V19-R21 PolarHBondContact O-N 3.34Š|
| 20 | P | 57.5 | Low | 58.2 | Low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | -58.9 | 103.2 | 173.5 | -21.9 | 32.7 | 0 | 0 | 0 | 109.8 | P22 | P20-P22 WeakPolarHBondContact O-CD 3.33Š|
| 21 | R | 54.8 | Low | 58.5 | Low | 145 Ų | 145 | 130 Ų | 130 | 55% | 0.547 | 73% | 0.734 | S | S | . | * | | | trans | -65.6 | 122.3 | -177.7 | -176.7 | -179.6 | -174.7 | 177.7 | 5 | 109.5 | V19 A23 | V19-R21 PolarHBondContact O-N 3.34Å; R21-A23 PolarHBondContact O-N 3.35Å; R21-A23 VanDerWaalsContact O-N 3.15Å |
| 22 | P | 56.7 | Low | 58.4 | Low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | trans | -70.4 | 115 | 166.2 | 28.6 | -29.1 | 0 | 0 | 0 | 107.2 | P20 G24 | P20-P22 WeakPolarHBondContact O-CD 3.33Å; P22-G24 PolarHBondContact O-N 2.86Å |
| 23 | A | 55.7 | Low | 58.5 | Low | 107 Ų | 107 | 137.9 Ų | 137.9 | 88% | 0.884 | 75% | 0.745 | S | S | * | * | | | trans | -72.8 | 73.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R21 | R21-A23 PolarHBondContact O-N 3.35Å; R21-A23 VanDerWaalsContact O-N 3.15Å |
| 24 | G | 55 | Low | 58.3 | Low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | trans | -114.1 | 137.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P22 | P22-G24 PolarHBondContact O-N 2.86Š|
| 25 | K | 59.2 | Low | 58.5 | Low | 103 Ų | 103 | 139.7 Ų | 139.7 | 45% | 0.448 | 75% | 0.754 | S | S | . | * | | | trans | -76.7 | 120.7 | 179.6 | -48.1 | 179.3 | 143.3 | -124.7 | 0 | 109.5 | N9 V27 | N9-K25 HydrophobicContact CB-CB 4.36Å; N9-K25 VanDerWaalsContact CG-CB 3.49Å; N9-K25 VanDerWaalsContact CG-NZ 3.34Å; N9-K25 WeakPolarHBondContact ND2-CD 3.39Å; N9-K25 WeakPolarHBondContact ND2-CE 3.49Å; N9-K25 WeakPolarHBondContact ND2-CG 3.15Å; N9-K25 PolarHBondContact ND2-NZ 3.07Å; N9-K25 WeakPolarHBondContact OD1-CB 3.3Å; N9-K25 WeakPolarHBondContact OD1-CD 3.33Å; N9-K25 WeakPolarHBondContact OD1-CE 3.5Å; N9-K25 WeakPolarHBondContact OD1-CG 3.4Å; N9-K25 PolarHBondContact OD1-NZ 2.78Å; K25-V27 PolarHBondContact O-N 3.44Å |
| 26 | Q | 60.8 | Low | 58.3 | Low | 144 Ų | 144 | 141.7 Ų | 141.7 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | | | trans | -70 | 119.3 | 172.6 | -167.3 | 176.5 | 12.1 | 0 | 0 | 109 | | |
| 27 | V | 57.4 | Low | 58.4 | Low | 123 Ų | 123 | 140.8 Ų | 140.8 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | -103.8 | 112.2 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | K25 R29 | K25-V27 PolarHBondContact O-N 3.44Å; V27-R29 PolarHBondContact O-N 2.84Å |
| 28 | F | 62.4 | Low | 58.4 | Low | 166 Ų | 166 | 142.5 Ų | 142.5 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | | | trans | -62.5 | 126.5 | 167.2 | -73.4 | -91.7 | 0 | 0 | 0 | 108.3 | D30 | F28-D30 PolarHBondContact O-N 3.08Š|
| 29 | R | 65.6 | Low | 58.4 | Low | 236 Ų | 236 | 141.3 Ų | 141.3 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | | | trans | -70.1 | 112 | 171.4 | -70.6 | -86 | -160.6 | -173.3 | 3.2 | 107.3 | V27 V31 | V27-R29 PolarHBondContact O-N 2.84Å; R29-V31 PolarHBondContact O-N 2.84Å |
| 30 | D | 56.8 | Low | 58.4 | Low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | -63.1 | 117.7 | 167.4 | -73.2 | -31.7 | 0 | 0 | 0 | 108.8 | F28 R32 | F28-D30 PolarHBondContact O-N 3.08Å; D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.32Å |
| 31 | V | 62.6 | Low | 58.1 | Low | 142 Ų | 142 | 142.4 Ų | 142.4 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | | | trans | -71.4 | 87 | 174.6 | -155.9 | 0 | 0 | 0 | 0 | 107.1 | R29 N33 | R29-V31 PolarHBondContact O-N 2.84Å; V31-N33 PolarHBondContact O-N 2.75Å |
| 32 | R | 53.5 | Low | 58 | Low | 230 Ų | 230 | 145.3 Ų | 145.3 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | | | trans | -71.6 | 127.6 | 174.7 | -86.5 | -170.3 | 175.7 | 166.2 | -0.3 | 109.7 | D30 L34 | D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.32Å; R32-L34 PolarHBondContact O-N 3.46Å |
| 33 | N | 60.6 | Low | 58 | Low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | | | trans | -48.6 | 120.6 | 173.6 | -61.1 | -37.4 | 0 | 0 | 0 | 110.4 | V31 N35 | V31-N33 PolarHBondContact O-N 2.75Å; N33-N35 PolarHBondContact O-N 2.77Å; N33-N35 PolarHBondContact O-OD1 2.9Å |
| 34 | L | 57.8 | Low | 58.3 | Low | 152 Ų | 152 | 141.5 Ų | 141.5 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | | | trans | -81.9 | 101 | 177.5 | -161.8 | 76.5 | 0 | 0 | 0 | 107.8 | R32 V36 | R32-L34 PolarHBondContact O-N 3.46Å; L34-V36 VanDerWaalsContact C-N 3.33Å; L34-V36 HydrophobicContact CD2-CG2 3.68Å; L34-V36 HydrophobicContact CG-CG2 4Å; L34-V36 PolarHBondContact O-N 2.9Å; L34-V36 VanDerWaalsContact O-N 3.08Å |
| 35 | N | 60.7 | Low | 58.8 | Low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -72.9 | 97 | 164.4 | -40.4 | -11.5 | 0 | 0 | 0 | 105.3 | N33 D37 | N33-N35 PolarHBondContact O-N 2.77Å; N33-N35 PolarHBondContact O-OD1 2.9Å; N35-D37 PolarHBondContact O-N 2.9Å; N35-D37 VanDerWaalsContact O-N 3.08Å |
| 36 | V | 56.8 | Low | 59.1 | Low | 101 Ų | 101 | 152.3 Ų | 152.3 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | | | trans | -73.2 | 100.9 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | L34 E38 | L34-V36 VanDerWaalsContact C-N 3.33Å; L34-V36 HydrophobicContact CD2-CG2 3.68Å; L34-V36 HydrophobicContact CG-CG2 4Å; L34-V36 PolarHBondContact O-N 2.9Å; L34-V36 VanDerWaalsContact O-N 3.08Å; V36-E38 HydrophobicContact CG1-CG 4.46Å |
| 37 | D | 56.6 | Low | 59.1 | Low | 127 Ų | 127 | 150.1 Ų | 150.1 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | trans | -74 | 114.7 | 160 | -174.9 | 4.2 | 0 | 0 | 0 | 107.1 | N35 N39 | N35-D37 PolarHBondContact O-N 2.9Å; N35-D37 VanDerWaalsContact O-N 3.08Å; D37-N39 PolarHBondContact O-N 2.84Å |
| 38 | E | 60.1 | Low | 59.6 | Low | 184 Ų | 184 | 151.7 Ų | 151.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 25.7 | -170.4 | -50.4 | -168.2 | -174.4 | 0 | 0 | 113.5 | V36 | V36-E38 HydrophobicContact CG1-CG 4.46Š|
| 39 | N | 60.1 | Low | 59.4 | Low | 132 Ų | 132 | 149.1 Ų | 149.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 16.7 | -176.5 | -163.7 | 47.7 | 0 | 0 | 0 | 114.7 | D37 E41 | D37-N39 PolarHBondContact O-N 2.84Å; N39-E41 VanDerWaalsContact C-N 3.28Å; N39-E41 PolarHBondContact O-N 3.38Å |
| 40 | V | 56.3 | Low | 59.5 | Low | 98 Ų | 98 | 141.9 Ų | 141.9 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | | | trans | -81.5 | 85.1 | 166.5 | -176 | 0 | 0 | 0 | 0 | 108.1 | Y42 | V40-Y42 VanDerWaalsContact C-N 3.29Å; V40-Y42 HydrophobicContact CG1-CD2 4.37Å; V40-Y42 HydrophobicContact CG1-CE2 4.24Å; V40-Y42 WeakPolarHBondContact O-CD2 3.37Å; V40-Y42 PolarHBondContact O-N 3.36Å |
| 41 | E | 51 | Low | 59.9 | Low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | -54.6 | 98.2 | 160.9 | -174.6 | 178.2 | -172.9 | 0 | 0 | 107.4 | N39 G43 | N39-E41 VanDerWaalsContact C-N 3.28Å; N39-E41 PolarHBondContact O-N 3.38Å; E41-G43 PolarHBondContact O-N 3.12Å |
| 42 | Y | 51.7 | Low | 59.8 | Low | 207 Ų | 207 | 136.2 Ų | 136.2 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | | | trans | -65.3 | 87.8 | 165.2 | -75.8 | -88.3 | 0 | 0 | 0 | 106.5 | V40 A44 | V40-Y42 VanDerWaalsContact C-N 3.29Å; V40-Y42 HydrophobicContact CG1-CD2 4.37Å; V40-Y42 HydrophobicContact CG1-CE2 4.24Å; V40-Y42 WeakPolarHBondContact O-CD2 3.37Å; V40-Y42 PolarHBondContact O-N 3.36Å; Y42-A44 PolarHBondContact O-N 3.01Å |
| 43 | G | 57.5 | Low | 60.2 | Low | 59 Ų | 59 | 130.8 Ų | 130.8 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | | | trans | -57.9 | 90 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | E41 K45 | E41-G43 PolarHBondContact O-N 3.12Å; G43-K45 PolarHBondContact O-N 2.91Å |
| 44 | A | 62.8 | Low | 60.2 | Low | 84 Ų | 84 | 131.8 Ų | 131.8 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | | | trans | -55.9 | 111.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y42 K46 | Y42-A44 PolarHBondContact O-N 3.01Å; A44-K46 VanDerWaalsContact C-N 3.26Å; A44-K46 PolarHBondContact O-N 3.25Å |
| 45 | K | 64.5 | Low | 60.6 | Low | 205 Ų | 205 | 131.4 Ų | 131.4 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | | | trans | -64.1 | 96.8 | 168.3 | -66.9 | -167.9 | 178.7 | -172.2 | 0 | 106.2 | G43 S47 | G43-K45 PolarHBondContact O-N 2.91Å; K45-S47 PolarHBondContact O-N 3.16Å |
| 46 | K | 65.3 | Low | 61 | Low | 191 Ų | 191 | 131.2 Ų | 131.2 | 83% | 0.83 | 70% | 0.699 | S | S | * | * | | | trans | -55 | 109.1 | 173.2 | -71.1 | 179.9 | 173.9 | -178.6 | 0 | 106.8 | A44 N48 | A44-K46 VanDerWaalsContact C-N 3.26Å; A44-K46 PolarHBondContact O-N 3.25Å; K46-N48 PolarHBondContact O-N 3.08Å; K46-N48 VanDerWaalsContact O-N 3.13Å |
| 47 | S | 61.9 | Low | 62 | Low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | trans | -55.5 | 115.2 | 164.5 | 174.7 | 0 | 0 | 0 | 0 | 106.9 | K45 V49 | K45-S47 PolarHBondContact O-N 3.16Å; S47-V49 PolarHBondContact O-N 3.46Å |
| 48 | N | 66.4 | Low | 62.9 | Low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | | | trans | -70.1 | 82.5 | 167.9 | -94.3 | -18.7 | 0 | 0 | 0 | 107.4 | K46 V50 | K46-N48 PolarHBondContact O-N 3.08Å; K46-N48 VanDerWaalsContact O-N 3.13Å; N48-V50 PolarHBondContact O-N 3.11Å; N48-V50 VanDerWaalsContact O-N 3.08Å |
| 49 | V | 59.7 | Low | 63.6 | Low | 112 Ų | 112 | 135.8 Ų | 135.8 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | | | trans | -69.7 | 98.8 | 163.7 | 175.5 | 0 | 0 | 0 | 0 | 105.8 | S47 P51 | S47-V49 PolarHBondContact O-N 3.46Å; V49-P51 WeakPolarHBondContact O-CD 3.43Å |
| 50 | V | 66 | Low | 64.6 | Low | 84 Ų | 84 | 134.4 Ų | 134.4 | 51% | 0.509 | 71% | 0.713 | S | S | . | * | | | trans | -58.8 | 120.4 | 165.7 | 176.8 | 0 | 0 | 0 | 0 | 106.1 | N48 V52 | N48-V50 PolarHBondContact O-N 3.11Å; N48-V50 VanDerWaalsContact O-N 3.08Å; V50-V52 PolarHBondContact O-N 2.84Å; V50-V52 VanDerWaalsContact O-N 3.15Å |
| 51 | P | 65.3 | Low | 65.9 | Low | 82 Ų | 82 | 135 Ų | 135 | 53% | 0.532 | 72% | 0.716 | S | S | . | * | | | trans | -55.9 | 125.2 | 176.2 | -20.9 | 31.5 | 0 | 0 | 0 | 108.5 | V49 V53 E54 | V49-P51 WeakPolarHBondContact O-CD 3.43Å; P51-V53 HydrophobicContact CB-CB 4.39Å; P51-V53 HydrophobicContact CB-CG2 4.26Å; P51-V53 PolarHBondContact O-N 3.15Å; P51-E54 PolarHBondContact O-N 3.47Å; P51-E54 VanDerWaalsContact O-N 3.12Å |
| 52 | V | 61.3 | Low | 67.2 | Low | 86 Ų | 86 | 136.8 Ų | 136.8 | 52% | 0.521 | 72% | 0.717 | S | S | . | * | G | 310 helix | trans | -53.2 | -16.1 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | V50 E54 Q55 F56 | V50-V52 PolarHBondContact O-N 2.84Å; V50-V52 VanDerWaalsContact O-N 3.15Å; V52-E54 PolarHBondContact O-N 3.03Å; V52-Q55 WeakPolarHBondContact O-CB 3.19Å; V52-Q55 PolarHBondContact O-N 3.21Å; V52-F56 HydrophobicContact CG1-CE2 3.99Å; V52-F56 HydrophobicContact CG1-CZ 3.96Å; V52-F56 WeakPolarHBondContact O-CE2 2.94Å |
| 53 | V | 62.4 | Low | 68.4 | Low | 116 Ų | 116 | 134.6 Ų | 134.6 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -55.8 | -30.7 | 175.9 | -170 | 0 | 0 | 0 | 0 | 113 | P51 Q55 | P51-V53 HydrophobicContact CB-CB 4.39Å; P51-V53 HydrophobicContact CB-CG2 4.26Å; P51-V53 PolarHBondContact O-N 3.15Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.12Å |
| 54 | E | 60.5 | Low | 69.3 | Low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -79.7 | -6.6 | 177.1 | -92.7 | -177.8 | 167.6 | 0 | 0 | 114.6 | P51 V52 | P51-E54 PolarHBondContact O-N 3.47Å; P51-E54 VanDerWaalsContact O-N 3.12Å; V52-E54 PolarHBondContact O-N 3.03Å |
| 55 | Q | 64.9 | Low | 69.5 | Low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -88.9 | -7.4 | -179.2 | -64.5 | -175.5 | -5.2 | 0 | 0 | 113.9 | V52 V53 K57 | V52-Q55 WeakPolarHBondContact O-CB 3.19Å; V52-Q55 PolarHBondContact O-N 3.21Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.12Å; Q55-K57 PolarHBondContact O-N 3.22Å; Q55-K57 VanDerWaalsContact O-N 3.12Å |
| 56 | F | 69.9 | Low | 69.4 | Low | 145 Ų | 145 | 136.6 Ų | 136.6 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | trans | -84.4 | 94.1 | 179.2 | -58.7 | -70.7 | 0 | 0 | 0 | 110 | V52 T58 | V52-F56 HydrophobicContact CG1-CE2 3.99Å; V52-F56 HydrophobicContact CG1-CZ 3.96Å; V52-F56 WeakPolarHBondContact O-CE2 2.94Å; F56-T58 PolarHBondContact O-N 3.12Å; F56-T58 VanDerWaalsContact O-N 3.11Å |
| 57 | K | 77.1 | Confident | 69.1 | Low | 206 Ų | 206 | 132.5 Ų | 132.5 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | | | trans | -70.7 | 101.8 | 168.9 | -167.7 | 178.3 | -176.1 | -171.7 | 0 | 108.8 | Q55 | Q55-K57 PolarHBondContact O-N 3.22Å; Q55-K57 VanDerWaalsContact O-N 3.12Å |
| 58 | T | 75.5 | Confident | 68.8 | Low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 136.6 | 171.7 | 55 | 0 | 0 | 0 | 0 | 109.7 | F56 | F56-T58 PolarHBondContact O-N 3.12Å; F56-T58 VanDerWaalsContact O-N 3.11Å |
| 59 | F | 76.8 | Confident | 68.1 | Low | 180 Ų | 180 | 134 Ų | 134 | 79% | 0.789 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 140.1 | 169.2 | 63.8 | -86.1 | 0 | 0 | 0 | 109.3 | V61 | F59-V61 HydrophobicContact CD2-CG2 4.07Å; F59-V61 HydrophobicContact CE2-CG2 3.92Å |
| 60 | S | 80.4 | Confident | 67.8 | Low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 138.4 | 168.8 | -55.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 61 | V | 83.6 | Confident | 66.8 | Low | 109 Ų | 109 | 134.6 Ų | 134.6 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 131.7 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | F59 | F59-V61 HydrophobicContact CD2-CG2 4.07Å; F59-V61 HydrophobicContact CE2-CG2 3.92Å |
| 62 | Y | 78.5 | Confident | 66 | Low | 217 Ų | 217 | 136.5 Ų | 136.5 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 126 | 168.9 | -78 | -85.4 | 0 | 0 | 0 | 108.3 | D64 | Y62-D64 PolarHBondContact O-N 2.86Š|
| 63 | E | 77 | Confident | 65.3 | Low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120.9 | 166.2 | -66.6 | -66.7 | 153.5 | 0 | 0 | 107.8 | N65 | E63-N65 PolarHBondContact O-N 2.94Å; E63-N65 VanDerWaalsContact O-N 3.08Å; E63-N65 PolarHBondContact O-OD1 2.85Å |
| 64 | D | 75.1 | Confident | 64.7 | Low | 120 Ų | 120 | 136 Ų | 136 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | | | trans | -76.4 | 92.5 | 174.5 | -176.3 | 15.4 | 0 | 0 | 0 | 108.3 | Y62 N66 | Y62-D64 PolarHBondContact O-N 2.86Å; D64-N66 PolarHBondContact O-N 3.08Å; D64-N66 PolarHBondContact OD2-ND2 2.79Å |
| 65 | N | 67.4 | Low | 64 | Low | 135 Ų | 135 | 137.8 Ų | 137.8 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | -70.2 | 81.8 | 170.8 | -71.8 | 38.7 | 0 | 0 | 0 | 108.7 | E63 D67 | E63-N65 PolarHBondContact O-N 2.94Å; E63-N65 VanDerWaalsContact O-N 3.08Å; E63-N65 PolarHBondContact O-OD1 2.85Å; N65-D67 PolarHBondContact O-N 2.96Å |
| 66 | N | 62.9 | Low | 63.1 | Low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -67.6 | 28.3 | 166.3 | -81.5 | -60.7 | 0 | 0 | 0 | 112.9 | D64 | D64-N66 PolarHBondContact O-N 3.08Å; D64-N66 PolarHBondContact OD2-ND2 2.79Å |
| 67 | D | 58 | Low | 61.9 | Low | 105 Ų | 105 | 136.5 Ų | 136.5 | 56% | 0.561 | 76% | 0.755 | S | S | * | * | | | trans | -100.9 | 86 | 170.9 | -144.4 | 5.6 | 0 | 0 | 0 | 107 | N65 Q69 | N65-D67 PolarHBondContact O-N 2.96Å; D67-Q69 HydrophobicContact CB-CG 4.08Å; D67-Q69 PolarHBondContact O-N 2.74Å; D67-Q69 WeakPolarHBondContact OD1-CG 3.22Å; D67-Q69 WeakPolarHBondContact OD2-CG 3.22Å; D67-Q69 PolarHBondContact OD2-NE2 2.99Å |
| 68 | T | 57.2 | Low | 60.2 | Low | 137 Ų | 137 | 131.1 Ų | 131.1 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | | | trans | -66.2 | 71.6 | 157.5 | -58 | 0 | 0 | 0 | 0 | 107.1 | V70 | T68-V70 VanDerWaalsContact C-N 3.34Å; T68-V70 PolarHBondContact O-N 2.82Å; T68-V70 VanDerWaalsContact O-N 3.07Å |
| 69 | Q | 51.5 | Low | 58.6 | Low | 146 Ų | 146 | 130.1 Ų | 130.1 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | trans | -75.6 | 98.4 | 165.3 | -68.8 | -106.7 | 15.8 | 0 | 0 | 106.6 | D67 A71 | D67-Q69 HydrophobicContact CB-CG 4.08Å; D67-Q69 PolarHBondContact O-N 2.74Å; D67-Q69 WeakPolarHBondContact OD1-CG 3.22Å; D67-Q69 WeakPolarHBondContact OD2-CG 3.22Å; D67-Q69 PolarHBondContact OD2-NE2 2.99Å; Q69-A71 PolarHBondContact O-N 2.96Å |
| 70 | V | 53.8 | Low | 57.5 | Low | 127 Ų | 127 | 129.3 Ų | 129.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | -15.4 | 120 | 144.3 | 177 | 0 | 0 | 0 | 0 | 111.7 | T68 | T68-V70 VanDerWaalsContact C-N 3.34Å; T68-V70 PolarHBondContact O-N 2.82Å; T68-V70 VanDerWaalsContact O-N 3.07Å |
| 71 | A | 45.1 | Very low | 55.6 | Low | 82 Ų | 82 | 130.4 Ų | 130.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | 13.1 | 133.2 | 161 | 0 | 0 | 0 | 0 | 0 | 119.3 | Q69 | Q69-A71 PolarHBondContact O-N 2.96Š|
| 72 | P | 46.6 | Very low | 54.1 | Low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -76.7 | 139.5 | 165.2 | 32.9 | -30 | 0 | 0 | 0 | 111 | | |
| 73 | S | 47.6 | Very low | 52.5 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | | | trans | 83.3 | 102.4 | 158.3 | 75.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 74 | G | 50.4 | Low | 51.6 | Low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | 141.8 | 109.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 75 | K | 45.2 | Very low | 50 | Low | 205 Ų | 205 | 129.8 Ų | 129.8 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | | | trans | 89.9 | 87.7 | 153.7 | -48.6 | 174.8 | -172.3 | 178.6 | 0 | 116.6 | | |
| 76 | S | 44.8 | Very low | 49.3 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | | 54.2 | 136.9 | 113.1 | -138.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 77 | L | 46 | Very low | 48.2 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | 96.1 | 114.3 | 141.7 | -78.4 | 155.1 | 0 | 0 | 0 | 120 | | |
| 78 | A | 41.9 | Very low | 48 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | 71.9 | 149.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 79 | S | 41.4 | Very low | 47.2 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | cis | -159.4 | 140.1 | 12.9 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | V81 | S79-V81 PolarHBondContact O-N 3.13Š|
| 80 | L | 53.9 | Low | 47.2 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -32.5 | 120.6 | 145.8 | -175.1 | 82.3 | 0 | 0 | 0 | 111.9 | | |
| 81 | V | 40.5 | Very low | 46.3 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -152.1 | 108.8 | 148.4 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | S79 | S79-V81 PolarHBondContact O-N 3.13Š|
| 82 | D | 50.7 | Low | 46.1 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -50.4 | 126.9 | 153.5 | 170.1 | 37.1 | 0 | 0 | 0 | 112.2 | | |
| 83 | K | 46 | Very low | 45.8 | Very low | 164 Ų | 164 | 134 Ų | 134 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -178.3 | 119.4 | 144.5 | -109.9 | 159.4 | 166.3 | 166.4 | 0 | 112.8 | | |
| 84 | E | 56.9 | Low | 45.7 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -20 | 137.5 | 142.9 | 64.9 | -148.3 | 147.9 | 0 | 0 | 114.4 | | |
| 85 | N | 42 | Very low | 45.8 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | | 171.4 | 124.8 | 127.7 | -88.8 | -58.4 | 0 | 0 | 0 | 110.4 | D87 | N85-D87 PolarHBondContact O-N 3.22Š|
| 86 | H | 53.9 | Low | 45.8 | Very low | 183 Ų | 183 | 142 Ų | 142 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -48.7 | 124.1 | 153.2 | -94.8 | -97.1 | 0 | 0 | 0 | 108.9 | | |
| 87 | D | 39.6 | Very low | 46.1 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -151 | 100.1 | 150.2 | -132 | -6 | 0 | 0 | 0 | 110.5 | N85 K89 | N85-D87 PolarHBondContact O-N 3.22Å; D87-K89 PolarHBondContact O-N 3.15Å |
| 88 | V | 52.8 | Low | 46.6 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | | | trans | -71.6 | 109.2 | 163.1 | 172.8 | 0 | 0 | 0 | 0 | 106.6 | F90 | V88-F90 HydrophobicContact CG1-CD2 3.71Å; V88-F90 HydrophobicContact CG1-CE2 3.7Å |
| 89 | K | 40.9 | Very low | 47.2 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | | | trans | -135.8 | 108.5 | 157.5 | -86.5 | -166.9 | 176.6 | 179.2 | 0 | 111.6 | D87 | D87-K89 PolarHBondContact O-N 3.15Š|
| 90 | F | 51.2 | Low | 48 | Very low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | | | trans | -75 | 147.8 | 168.3 | -77.6 | -95 | 0 | 0 | 0 | 112.1 | V88 | V88-F90 HydrophobicContact CG1-CD2 3.71Å; V88-F90 HydrophobicContact CG1-CE2 3.7Å |
| 91 | G | 35.4 | Very low | 48.6 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 146.3 | 117.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 92 | A | 40.5 | Very low | 49.8 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | S | Bend | cis | -158.5 | 140.5 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 93 | G | 39.7 | Very low | 50.6 | Low | 75 Ų | 75 | 145.4 Ų | 145.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 142.6 | 41.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K95 | G93-K95 PolarHBondContact O-N 3.08Š|
| 94 | Q | 46.1 | Very low | 51.6 | Low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | | | trans | 35.4 | 78.9 | 164.7 | -61.1 | -169.8 | -43.1 | 0 | 0 | 116.7 | E96 | Q94-E96 PolarHBondContact O-N 3.04Š|
| 95 | K | 51.5 | Low | 52.4 | Low | 205 Ų | 205 | 140.2 Ų | 140.2 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | | | trans | -71.5 | 104.8 | 145.3 | -62.1 | -177.3 | -178.2 | -177.3 | 0 | 104.8 | G93 L97 | G93-K95 PolarHBondContact O-N 3.08Å; K95-L97 PolarHBondContact O-N 2.93Å |
| 96 | E | 46.5 | Very low | 53.8 | Low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | -58.4 | 91.1 | 165.6 | -168.8 | 177.1 | 175.8 | 0 | 0 | 106.1 | Q94 V98 | Q94-E96 PolarHBondContact O-N 3.04Å; E96-V98 HydrophobicContact CG-CG2 3.96Å; E96-V98 PolarHBondContact O-N 3.08Å |
| 97 | L | 50.7 | Low | 54.7 | Low | 137 Ų | 137 | 138.7 Ų | 138.7 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | | | trans | -65.5 | 90.9 | 161.1 | -175.4 | 80.2 | 0 | 0 | 0 | 103.3 | K95 D99 | K95-L97 PolarHBondContact O-N 2.93Å; L97-D99 WeakPolarHBondContact CD2-OD1 3.1Å; L97-D99 PolarHBondContact O-N 3.13Å |
| 98 | V | 56.5 | Low | 56.2 | Low | 75 Ų | 75 | 137 Ų | 137 | 46% | 0.455 | 76% | 0.758 | S | S | . | * | | | trans | -65.2 | 97.9 | 167.4 | -172.7 | 0 | 0 | 0 | 0 | 103.8 | E96 Y100 | E96-V98 HydrophobicContact CG-CG2 3.96Å; E96-V98 PolarHBondContact O-N 3.08Å; V98-Y100 VanDerWaalsContact C-N 3.31Å; V98-Y100 VanDerWaalsContact O-CD2 3.3Å; V98-Y100 WeakPolarHBondContact O-CD2 3.4Å; V98-Y100 PolarHBondContact O-N 3.45Å |
| 99 | D | 53.5 | Low | 56.9 | Low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | -58.1 | 103.6 | 167.6 | -81.9 | -28.1 | 0 | 0 | 0 | 105.7 | L97 D101 | L97-D99 WeakPolarHBondContact CD2-OD1 3.1Å; L97-D99 PolarHBondContact O-N 3.13Å; D99-D101 PolarHBondContact O-N 3.41Å |
| 100 | Y | 58.8 | Low | 58.2 | Low | 192 Ų | 192 | 135.5 Ų | 135.5 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | trans | -69.3 | 102.7 | 172.6 | -69.6 | -81 | 0 | 0 | 0 | 106.6 | V98 L102 | V98-Y100 VanDerWaalsContact C-N 3.31Å; V98-Y100 VanDerWaalsContact O-CD2 3.3Å; V98-Y100 WeakPolarHBondContact O-CD2 3.4Å; V98-Y100 PolarHBondContact O-N 3.45Å; Y100-L102 PolarHBondContact O-N 2.98Å |
| 101 | D | 66.8 | Low | 59.3 | Low | 105 Ų | 105 | 133.6 Ų | 133.6 | 56% | 0.561 | 76% | 0.763 | S | S | * | * | | | trans | -67.6 | 88.5 | 167.2 | -178.5 | 16.3 | 0 | 0 | 0 | 108.9 | D99 D103 S104 | D99-D101 PolarHBondContact O-N 3.41Å; D101-D103 PolarHBondContact O-N 3.28Å; D101-D103 WeakPolarHBondContact OD1-CB 3.16Å; D101-D103 PolarHBondContact OD1-N 3.04Å; D101-D103 VanDerWaalsContact OD1-N 3.12Å; D101-S104 PolarHBondContact O-N 3.47Å; D101-S104 PolarHBondContact O-OG 3.26Å |
| 102 | L | 66.7 | Low | 61 | Low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -7.8 | 176.3 | -66.4 | 172.4 | 0 | 0 | 0 | 112.4 | Y100 S104 | Y100-L102 PolarHBondContact O-N 2.98Å; L102-S104 VanDerWaalsContact C-N 3.27Å |
| 103 | D | 65.9 | Low | 62.6 | Low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -4.1 | 175.9 | -63.2 | -30.5 | 0 | 0 | 0 | 111.9 | D101 | D101-D103 PolarHBondContact O-N 3.28Å; D101-D103 WeakPolarHBondContact OD1-CB 3.16Å; D101-D103 PolarHBondContact OD1-N 3.04Å; D101-D103 VanDerWaalsContact OD1-N 3.12Å |
| 104 | S | 68.7 | Low | 64.3 | Low | 70 Ų | 70 | 141 Ų | 141 | 49% | 0.49 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -73.8 | 133 | 171.9 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | D101 L102 | D101-S104 PolarHBondContact O-N 3.47Å; D101-S104 PolarHBondContact O-OG 3.26Å; L102-S104 VanDerWaalsContact C-N 3.27Å |
| 105 | T | 72.1 | Confident | 65.8 | Low | 129 Ų | 129 | 137.9 Ų | 137.9 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.2 | 174.7 | -50.7 | 0 | 0 | 0 | 0 | 109.1 | M107 | T105-M107 PolarHBondContact O-N 2.92Å; T105-M107 VanDerWaalsContact O-N 3.16Å |
| 106 | P | 71.6 | Confident | 67.1 | Low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.8 | -179.6 | 23.4 | -32.3 | 0 | 0 | 0 | 109.3 | S108 | P106-S108 PolarHBondContact O-N 3.21Å; P106-S108 VanDerWaalsContact O-N 3.08Å |
| 107 | M | 72.8 | Confident | 68.3 | Low | 183 Ų | 183 | 133.4 Ų | 133.4 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | | | trans | -60.3 | 113.5 | 173 | -73.2 | -71.4 | -67.5 | 0 | 0 | 108.2 | T105 V109 | T105-M107 PolarHBondContact O-N 2.92Å; T105-M107 VanDerWaalsContact O-N 3.16Å; M107-V109 PolarHBondContact O-N 3.25Å |
| 108 | S | 72.3 | Confident | 69.7 | Low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 134.9 | -177.8 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | P106 | P106-S108 PolarHBondContact O-N 3.21Å; P106-S108 VanDerWaalsContact O-N 3.08Å |
| 109 | V | 67.7 | Low | 70.8 | Confident | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.9 | 173 | -160 | 0 | 0 | 0 | 0 | 108.5 | M107 | M107-V109 PolarHBondContact O-N 3.25Š|
| 110 | T | 68.2 | Low | 71.4 | Confident | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 127.7 | 174.4 | 44 | 0 | 0 | 0 | 0 | 110.2 | V112 | T110-V112 PolarHBondContact O-N 3.41Š|
| 111 | D | 73.3 | Confident | 71.9 | Confident | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119.8 | 173.2 | -69 | -36.1 | 0 | 0 | 0 | 109.6 | Q113 | D111-Q113 PolarHBondContact O-N 3.1Š|
| 112 | V | 70.9 | Confident | 71.7 | Confident | 131 Ų | 131 | 140 Ų | 140 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -66.5 | 100.7 | 171.1 | 176.1 | 0 | 0 | 0 | 0 | 107.2 | T110 S114 | T110-V112 PolarHBondContact O-N 3.41Å; V112-S114 PolarHBondContact O-N 3.39Å |
| 113 | Q | 73.8 | Confident | 71.3 | Confident | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -57.3 | 109.4 | 168.3 | -89.6 | -172.8 | -16.3 | 0 | 0 | 108 | D111 | D111-Q113 PolarHBondContact O-N 3.1Š|
| 114 | S | 75.3 | Confident | 70.7 | Confident | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 131.2 | 175.7 | -66.9 | 0 | 0 | 0 | 0 | 108.7 | V112 M116 | V112-S114 PolarHBondContact O-N 3.39Å; S114-M116 PolarHBondContact O-N 2.83Å; S114-M116 VanDerWaalsContact O-N 3.15Å |
| 115 | P | 78.6 | Confident | 70.1 | Confident | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.1 | 178.9 | 21.8 | -30.4 | 0 | 0 | 0 | 109.5 | S117 | P115-S117 PolarHBondContact O-N 3.42Š|
| 116 | M | 77.9 | Confident | 69.2 | Low | 177 Ų | 177 | 141.7 Ų | 141.7 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 120.1 | 174.3 | -172.2 | 171 | 59.3 | 0 | 0 | 108.7 | S114 V118 | S114-M116 PolarHBondContact O-N 2.83Å; S114-M116 VanDerWaalsContact O-N 3.15Å; M116-V118 PolarHBondContact O-N 3.43Å |
| 117 | S | 73.3 | Confident | 67.9 | Low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 132.8 | 177 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | P115 | P115-S117 PolarHBondContact O-N 3.42Š|
| 118 | V | 78.4 | Confident | 66.8 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 117.9 | 176.1 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | M116 R120 | M116-V118 PolarHBondContact O-N 3.43Å; V118-R120 PolarHBondContact O-N 2.77Å; V118-R120 VanDerWaalsContact O-N 3.13Å |
| 119 | D | 79.4 | Confident | 65.3 | Low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -68 | 106 | 172.7 | -68.6 | -38.5 | 0 | 0 | 0 | 110.3 | S121 | D119-S121 PolarHBondContact O-N 3.21Š|
| 120 | R | 68.1 | Low | 64.1 | Low | 239 Ų | 239 | 141.8 Ų | 141.8 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -79.6 | 78.7 | 164.7 | -66.5 | -172.6 | -178.3 | -150.2 | 0.7 | 108.5 | V118 I122 | V118-R120 PolarHBondContact O-N 2.77Å; V118-R120 VanDerWaalsContact O-N 3.13Å; R120-I122 PolarHBondContact O-N 3.15Å |
| 121 | S | 69.1 | Low | 63.3 | Low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -64.1 | 106.1 | 166.2 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | D119 | D119-S121 PolarHBondContact O-N 3.21Š|
| 122 | I | 61.2 | Low | 61.8 | Low | 149 Ų | 149 | 141.7 Ų | 141.7 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | -19.2 | 134.4 | 168.6 | -90.4 | 163.1 | 0 | 0 | 0 | 115.4 | R120 G124 | R120-I122 PolarHBondContact O-N 3.15Å; I122-G124 PolarHBondContact O-N 2.86Å; I122-G124 VanDerWaalsContact O-N 3.1Å |
| 123 | L | 58.2 | Low | 60.8 | Low | 178 Ų | 178 | 141.4 Ų | 141.4 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -37.5 | 112.2 | 161.1 | -81.6 | 78.3 | 0 | 0 | 0 | 111 | | |
| 124 | G | 54.4 | Low | 59.2 | Low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | -155.2 | 23.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I122 | I122-G124 PolarHBondContact O-N 2.86Å; I122-G124 VanDerWaalsContact O-N 3.1Å |
| 125 | V | 55.8 | Low | 58 | Low | 141 Ų | 141 | 137 Ų | 137 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -141.8 | 78.6 | 169.7 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 126 | I | 53.7 | Low | 56.4 | Low | 157 Ų | 157 | 140 Ų | 140 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | | | trans | -144.2 | 106.2 | 146.3 | -53.5 | -177.2 | 0 | 0 | 0 | 108.6 | | |
| 127 | Q | 44 | Very low | 55 | Low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | 170.1 | 90.4 | 133.7 | -92.3 | 173.7 | 17.2 | 0 | 0 | 107 | | |
| 128 | S | 49.4 | Very low | 53.4 | Low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | | 73 | 103.1 | 91.3 | -73.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 129 | S | 40.5 | Very low | 52.1 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -163.2 | 102.5 | 140.8 | 39.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 130 | D | 42.8 | Very low | 50 | Low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | 73.8 | 105.5 | 133.4 | -47.2 | -35.4 | 0 | 0 | 0 | 122.5 | | |
| 131 | I | 50.3 | Low | 49.4 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | | | | 37.5 | 111.7 | 125.2 | -66.4 | 161 | 0 | 0 | 0 | 118 | | |
| 132 | S | 43 | Very low | 48.4 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | | -157 | 115.8 | 126.9 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | G134 | S132-G134 PolarHBondContact O-N 3.48Š|
| 133 | V | 50.1 | Low | 47.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 83% | 0.833 | S | S | * | * | | | trans | -58.3 | 126.5 | 173.4 | 165.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 134 | G | 40.3 | Very low | 47.2 | Very low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | | | trans | -143.4 | 64.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S132 | S132-G134 PolarHBondContact O-N 3.48Š|
| 135 | T | 50 | Low | 46.7 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | | | trans | -80.3 | 109.6 | 168.8 | 45.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 136 | E | 44.9 | Very low | 46.2 | Very low | 190 Ų | 190 | 132.4 Ų | 132.4 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | | | trans | -128.1 | 82.9 | 150.9 | 55 | -172.2 | 175.4 | 0 | 0 | 109.6 | | |
| 137 | T | 48.5 | Very low | 45.7 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | | | trans | -72.5 | 122.9 | 149.5 | 43.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 138 | G | 39.2 | Very low | 45.8 | Very low | 77 Ų | 77 | 127.2 Ų | 127.2 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | | | trans | -165.7 | 106 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 139 | A | 50.3 | Low | 45.5 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -67.5 | 142.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 140 | S | 36.7 | Very low | 45.9 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | | | trans | 29.9 | 146.4 | 149.3 | -65.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 141 | P | 55.1 | Low | 46.2 | Very low | 199 Ų | 199 | 128.7 Ų | 128.7 | 100% | 1.292 | 85% | 0.85 | S | S | * | * | | | | -113.4 | 0 | 74 | 36.2 | -34.7 | 0 | 0 | 0 | 115.4 | | |