| 1 | K | 47.4 | Very low | 60.4 | Low | 262 Ų | 262 | 146.8 Ų | 146.8 | 100% | 1.139 | 82% | 0.817 | S | S | * | * | | | | 0 | 109.7 | 0 | -65 | 179.9 | -178.8 | 179.4 | 0 | 106.3 | | |
| 2 | N | 55 | Low | 60.3 | Low | 169 Ų | 169 | 147.3 Ų | 147.3 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | | | trans | -81 | 142.8 | -170.8 | -61.8 | -26.7 | 0 | 0 | 0 | 111.2 | | |
| 3 | A | 55.7 | Low | 60.5 | Low | 90 Ų | 90 | 146.8 Ų | 146.8 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | | | trans | 161.7 | 143.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 4 | L | 60.9 | Low | 60 | Low | 167 Ų | 167 | 146.6 Ų | 146.6 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | cis | -161.8 | 131.9 | -9.3 | -95.3 | 156.8 | 0 | 0 | 0 | 103.6 | | |
| 5 | A | 68.1 | Low | 60 | Low | 84 Ų | 84 | 141.6 Ų | 141.6 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | | | trans | -66.9 | 151.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R7 | A5-R7 PolarHBondContact O-N 3.13Š|
| 6 | P | 64.3 | Low | 59.9 | Low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -57.1 | 123.6 | 174.9 | -19.9 | 30.6 | 0 | 0 | 0 | 110.4 | A8 | P6-A8 PolarHBondContact O-N 3.06Š|
| 7 | R | 60.8 | Low | 59.4 | Low | 216 Ų | 216 | 141.6 Ų | 141.6 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | | | trans | -71.5 | 100.2 | 174.7 | -70 | 174.7 | 75 | 147.9 | 0.1 | 108.7 | A5 N9 | A5-R7 PolarHBondContact O-N 3.13Å; R7-N9 PolarHBondContact O-N 3.42Å |
| 8 | A | 62.5 | Low | 59.5 | Low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -70.5 | 94.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | P6 F10 | P6-A8 PolarHBondContact O-N 3.06Å; A8-F10 PolarHBondContact O-N 3.32Å |
| 9 | N | 66.1 | Low | 59.5 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | | | trans | -94 | 70.1 | 170.8 | -71.2 | -49.9 | 0 | 0 | 0 | 110 | R7 | R7-N9 PolarHBondContact O-N 3.42Š|
| 10 | F | 63.8 | Low | 59.5 | Low | 205 Ų | 205 | 140.5 Ų | 140.5 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | | | trans | -145.1 | 81.7 | 166.2 | -65.6 | -72.4 | 0 | 0 | 0 | 110 | A8 | A8-F10 PolarHBondContact O-N 3.32Š|
| 11 | A | 60.1 | Low | 59.6 | Low | 77 Ų | 77 | 143.7 Ų | 143.7 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | 171.9 | 91.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L13 | A11-L13 HydrophobicContact CB-CD1 3.85Å; A11-L13 HydrophobicContact CB-CG 4.13Å; A11-L13 PolarHBondContact O-N 2.85Å |
| 12 | V | 58.8 | Low | 60.1 | Low | 152 Ų | 152 | 136.6 Ų | 136.6 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | -81.6 | 85 | 149 | -178.5 | 0 | 0 | 0 | 0 | 105.4 | N14 | V12-N14 PolarHBondContact O-N 3.23Š|
| 13 | L | 62.9 | Low | 60.3 | Low | 141 Ų | 141 | 134 Ų | 134 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -76.4 | 97.2 | 167.4 | -82.6 | 148.8 | 0 | 0 | 0 | 106.7 | A11 G15 | A11-L13 HydrophobicContact CB-CD1 3.85Å; A11-L13 HydrophobicContact CB-CG 4.13Å; A11-L13 PolarHBondContact O-N 2.85Å; L13-G15 PolarHBondContact O-N 3.44Å |
| 14 | N | 52.9 | Low | 60.6 | Low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | -61.7 | 104.5 | 164 | -177.4 | 11.2 | 0 | 0 | 0 | 107.7 | V12 N16 | V12-N14 PolarHBondContact O-N 3.23Å; N14-N16 VanDerWaalsContact C-N 3.35Å; N14-N16 PolarHBondContact O-N 3.2Å |
| 15 | G | 60.7 | Low | 60.7 | Low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -81.6 | 73.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 | L13-G15 PolarHBondContact O-N 3.44Š|
| 16 | N | 58.7 | Low | 60.3 | Low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -154.9 | 45.1 | 163.1 | -137.4 | 18.5 | 0 | 0 | 0 | 115.6 | N14 | N14-N16 VanDerWaalsContact C-N 3.35Å; N14-N16 PolarHBondContact O-N 3.2Å |
| 17 | N | 51.1 | Low | 60.1 | Low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -121.7 | 109.5 | 169 | -75.8 | -12.6 | 0 | 0 | 0 | 108.9 | V19 | N17-V19 HydrophobicContact CB-CG2 4.11Å; N17-V19 PolarHBondContact O-N 2.7Å |
| 18 | N | 61.4 | Low | 60 | Low | 173 Ų | 173 | 134.3 Ų | 134.3 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | trans | -72.5 | 48.4 | 174.9 | -159.7 | 60.8 | 0 | 0 | 0 | 111.5 | | |
| 19 | V | 59.6 | Low | 60 | Low | 110 Ų | 110 | 140.6 Ų | 140.6 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | | | trans | -96.6 | 124 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | N17 R21 | N17-V19 HydrophobicContact CB-CG2 4.11Å; N17-V19 PolarHBondContact O-N 2.7Å; V19-R21 PolarHBondContact O-N 3.28Å |
| 20 | P | 59.9 | Low | 59.7 | Low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -55.8 | 112.4 | 172.5 | -24.8 | 34.4 | 0 | 0 | 0 | 110 | P22 | P20-P22 WeakPolarHBondContact O-CD 3.45Š|
| 21 | R | 59.9 | Low | 59.6 | Low | 207 Ų | 207 | 139 Ų | 139 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | | | trans | -65.2 | 122.2 | 175 | -176.5 | 176.7 | -175.2 | 152.4 | 1.3 | 108 | V19 A23 | V19-R21 PolarHBondContact O-N 3.28Å; R21-A23 PolarHBondContact O-N 3.46Å; R21-A23 VanDerWaalsContact O-N 3.12Å |
| 22 | P | 58.1 | Low | 59.4 | Low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -64.8 | 119.8 | 172.1 | 25.1 | -29.8 | 0 | 0 | 0 | 108.1 | P20 G24 | P20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-G24 PolarHBondContact O-N 3.11Å |
| 23 | A | 60 | Low | 59.5 | Low | 116 Ų | 116 | 145.9 Ų | 145.9 | 96% | 0.959 | 78% | 0.78 | S | S | * | * | | | trans | -72.4 | 78.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R21 | R21-A23 PolarHBondContact O-N 3.46Å; R21-A23 VanDerWaalsContact O-N 3.12Å |
| 24 | G | 61 | Low | 59.3 | Low | 58 Ų | 58 | 145.9 Ų | 145.9 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | | | trans | -137.6 | 132.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P22 Q26 | P22-G24 PolarHBondContact O-N 3.11Å; G24-Q26 PolarHBondContact O-N 3.5Å; G24-Q26 VanDerWaalsContact O-N 3.11Å |
| 25 | K | 63.9 | Low | 59.6 | Low | 203 Ų | 203 | 146.4 Ų | 146.4 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -56.4 | 115.9 | 177.3 | -63.4 | 177.9 | -179 | 179.7 | 0 | 108.9 | V27 | K25-V27 PolarHBondContact O-N 3Š|
| 26 | Q | 60.4 | Low | 59.4 | Low | 156 Ų | 156 | 148.2 Ų | 148.2 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 98.7 | 174.1 | -162.6 | 173.9 | 16 | 0 | 0 | 107.6 | G24 F28 | G24-Q26 PolarHBondContact O-N 3.5Å; G24-Q26 VanDerWaalsContact O-N 3.11Å; Q26-F28 PolarHBondContact O-N 3.08Å |
| 27 | V | 58.9 | Low | 59.3 | Low | 116 Ų | 116 | 147.5 Ų | 147.5 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | | | trans | -76.7 | 101.6 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | K25 R29 | K25-V27 PolarHBondContact O-N 3Å; V27-R29 PolarHBondContact O-N 2.95Å; V27-R29 VanDerWaalsContact O-N 3.17Å |
| 28 | F | 60.1 | Low | 59.8 | Low | 159 Ų | 159 | 149.5 Ų | 149.5 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | | | trans | -59.1 | 116.7 | 163.3 | -73.1 | -89.1 | 0 | 0 | 0 | 107.2 | Q26 D30 | Q26-F28 PolarHBondContact O-N 3.08Å; F28-D30 VanDerWaalsContact C-N 3.34Å; F28-D30 PolarHBondContact O-N 2.99Å |
| 29 | R | 62.3 | Low | 59.7 | Low | 228 Ų | 228 | 147.6 Ų | 147.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -71.3 | 97 | 169.3 | -71.4 | -90 | -158.6 | -156.3 | 1.8 | 106.2 | V27 V31 | V27-R29 PolarHBondContact O-N 2.95Å; V27-R29 VanDerWaalsContact O-N 3.17Å; R29-V31 PolarHBondContact O-N 2.85Å |
| 30 | D | 59.2 | Low | 59.6 | Low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | -61.3 | 107.6 | 166.3 | -71.6 | -29.1 | 0 | 0 | 0 | 107.8 | F28 R32 | F28-D30 VanDerWaalsContact C-N 3.34Å; F28-D30 PolarHBondContact O-N 2.99Å; D30-R32 PolarHBondContact O-N 3.48Å |
| 31 | V | 61.5 | Low | 59.2 | Low | 145 Ų | 145 | 150.1 Ų | 150.1 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | trans | -73 | 83.4 | 170.2 | -125.5 | 0 | 0 | 0 | 0 | 106.8 | R29 | R29-V31 PolarHBondContact O-N 2.85Š|
| 32 | R | 55.3 | Low | 58.9 | Low | 223 Ų | 223 | 149.8 Ų | 149.8 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -70.2 | 126.2 | 176.3 | -154.9 | 178 | -169.7 | 170.5 | 2.3 | 107.9 | D30 L34 | D30-R32 PolarHBondContact O-N 3.48Å; R32-L34 PolarHBondContact O-N 3.17Å |
| 33 | N | 61.8 | Low | 58.9 | Low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -54.7 | 112 | 173.1 | -67 | -32.2 | 0 | 0 | 0 | 108.9 | N35 | N33-N35 PolarHBondContact O-N 2.98Š|
| 34 | L | 57.8 | Low | 58.9 | Low | 141 Ų | 141 | 146.1 Ų | 146.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | -75.8 | 106.5 | 177.4 | -123.4 | 87.8 | 0 | 0 | 0 | 107.8 | R32 V36 | R32-L34 PolarHBondContact O-N 3.17Å; L34-V36 HydrophobicContact CB-CG2 4.48Å; L34-V36 HydrophobicContact CD2-CG2 4.25Å; L34-V36 PolarHBondContact O-N 2.9Å |
| 35 | N | 60.8 | Low | 59 | Low | 156 Ų | 156 | 153.2 Ų | 153.2 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | trans | -74.2 | 104.5 | 154 | -60.3 | -31.8 | 0 | 0 | 0 | 105.1 | N33 D37 | N33-N35 PolarHBondContact O-N 2.98Å; N35-D37 PolarHBondContact O-N 3.45Å |
| 36 | V | 55.4 | Low | 59 | Low | 109 Ų | 109 | 152.8 Ų | 152.8 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | | | trans | -70.1 | 102.8 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | L34 E38 | L34-V36 HydrophobicContact CB-CG2 4.48Å; L34-V36 HydrophobicContact CD2-CG2 4.25Å; L34-V36 PolarHBondContact O-N 2.9Å; V36-E38 HydrophobicContact CG1-CG 4.36Å |
| 37 | D | 57.4 | Low | 59 | Low | 128 Ų | 128 | 150.1 Ų | 150.1 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | | | trans | -85.4 | 118 | 160.5 | -174.2 | 9.9 | 0 | 0 | 0 | 107 | N35 N39 | N35-D37 PolarHBondContact O-N 3.45Å; D37-N39 PolarHBondContact O-N 2.83Å |
| 38 | E | 61.2 | Low | 59.3 | Low | 183 Ų | 183 | 151.9 Ų | 151.9 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 33 | -168.3 | -53.4 | -168.6 | -178 | 0 | 0 | 113.5 | V36 | V36-E38 HydrophobicContact CG1-CG 4.36Š|
| 39 | N | 59.5 | Low | 59.3 | Low | 133 Ų | 133 | 149.8 Ų | 149.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 20.1 | -177 | -162.4 | 40 | 0 | 0 | 0 | 114.8 | D37 E41 | D37-N39 PolarHBondContact O-N 2.83Å; N39-E41 VanDerWaalsContact C-N 3.33Å; N39-E41 PolarHBondContact O-N 3.08Å |
| 40 | V | 56.4 | Low | 59.3 | Low | 103 Ų | 103 | 143 Ų | 143 | 62% | 0.624 | 76% | 0.757 | S | S | * | * | | | trans | -82.2 | 87 | 169.2 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | Y42 | V40-Y42 VanDerWaalsContact C-N 3.32Å; V40-Y42 HydrophobicContact CG1-CD2 4.49Å; V40-Y42 HydrophobicContact CG1-CE2 4.4Å; V40-Y42 WeakPolarHBondContact O-CD2 3.26Å; V40-Y42 PolarHBondContact O-N 2.91Å |
| 41 | E | 52.5 | Low | 59.6 | Low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | trans | -54.6 | 98.3 | 161.3 | -173.9 | 178.3 | -174.4 | 0 | 0 | 107.8 | N39 G43 | N39-E41 VanDerWaalsContact C-N 3.33Å; N39-E41 PolarHBondContact O-N 3.08Å; E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 2.82Å |
| 42 | Y | 52.8 | Low | 59.6 | Low | 201 Ų | 201 | 136.7 Ų | 136.7 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | | | trans | -63.6 | 96.1 | 166.8 | -78.7 | -89.1 | 0 | 0 | 0 | 106.7 | V40 A44 | V40-Y42 VanDerWaalsContact C-N 3.32Å; V40-Y42 HydrophobicContact CG1-CD2 4.49Å; V40-Y42 HydrophobicContact CG1-CE2 4.4Å; V40-Y42 WeakPolarHBondContact O-CD2 3.26Å; V40-Y42 PolarHBondContact O-N 2.91Å; Y42-A44 PolarHBondContact O-N 2.89Å |
| 43 | G | 58 | Low | 59.9 | Low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | -57.1 | 88 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | E41 K45 | E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 2.82Å; G43-K45 PolarHBondContact O-N 3.32Å |
| 44 | A | 60.5 | Low | 59.8 | Low | 84 Ų | 84 | 132.2 Ų | 132.2 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | | | trans | -59.3 | 112.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | Y42 K46 | Y42-A44 PolarHBondContact O-N 2.89Å; A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 3.13Å |
| 45 | K | 63.6 | Low | 60.1 | Low | 207 Ų | 207 | 132.3 Ų | 132.3 | 90% | 0.9 | 71% | 0.713 | S | S | * | * | | | trans | -61.8 | 104.7 | 166 | -65.1 | -164.4 | 178.2 | -169.5 | 0 | 106.1 | G43 S47 | G43-K45 PolarHBondContact O-N 3.32Å; K45-S47 VanDerWaalsContact C-N 3.3Å; K45-S47 PolarHBondContact O-N 3.05Å |
| 46 | K | 64.1 | Low | 60.5 | Low | 195 Ų | 195 | 131.8 Ų | 131.8 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | | | trans | -58.4 | 97.4 | 172.5 | -58.6 | 179.6 | 179.6 | -176.7 | 0 | 106.4 | A44 N48 | A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 3.13Å; K46-N48 PolarHBondContact O-N 3.22Å |
| 47 | S | 59.6 | Low | 61.5 | Low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | trans | -59.7 | 118.8 | 162.9 | -178.7 | 0 | 0 | 0 | 0 | 105.5 | K45 V49 | K45-S47 VanDerWaalsContact C-N 3.3Å; K45-S47 PolarHBondContact O-N 3.05Å; S47-V49 PolarHBondContact O-N 2.98Å |
| 48 | N | 66 | Low | 62.3 | Low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | -66.1 | 81 | 170.8 | -88.3 | -9.6 | 0 | 0 | 0 | 107.8 | K46 V50 | K46-N48 PolarHBondContact O-N 3.22Å; N48-V50 VanDerWaalsContact C-N 3.34Å; N48-V50 PolarHBondContact O-N 3.15Å; N48-V50 VanDerWaalsContact O-N 3.08Å |
| 49 | V | 59 | Low | 63 | Low | 114 Ų | 114 | 135.7 Ų | 135.7 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | | | trans | -69.6 | 99.8 | 162.1 | 175.7 | 0 | 0 | 0 | 0 | 105 | S47 P51 | S47-V49 PolarHBondContact O-N 2.98Å; V49-P51 WeakPolarHBondContact O-CD 3.28Å; V49-P51 VanDerWaalsContact O-N 3.17Å |
| 50 | V | 63.3 | Low | 63.9 | Low | 85 Ų | 85 | 134.7 Ų | 134.7 | 52% | 0.515 | 72% | 0.717 | S | S | . | * | | | trans | -55.3 | 120.6 | 166 | 176.4 | 0 | 0 | 0 | 0 | 106 | N48 V52 | N48-V50 VanDerWaalsContact C-N 3.34Å; N48-V50 PolarHBondContact O-N 3.15Å; N48-V50 VanDerWaalsContact O-N 3.08Å; V50-V52 PolarHBondContact O-N 3.39Å; V50-V52 VanDerWaalsContact O-N 3.13Å |
| 51 | P | 64.3 | Low | 65.2 | Low | 78 Ų | 78 | 135.1 Ų | 135.1 | 51% | 0.506 | 72% | 0.72 | S | S | . | * | | | trans | -54.3 | 124.7 | 178 | -22.7 | 32.1 | 0 | 0 | 0 | 108.6 | V49 V53 E54 | V49-P51 WeakPolarHBondContact O-CD 3.28Å; V49-P51 VanDerWaalsContact O-N 3.17Å; P51-V53 HydrophobicContact CB-CB 4.39Å; P51-V53 HydrophobicContact CB-CG2 4.32Å; P51-V53 PolarHBondContact O-N 3Å; P51-E54 PolarHBondContact O-N 2.84Å |
| 52 | V | 61.6 | Low | 66.4 | Low | 81 Ų | 81 | 137.1 Ų | 137.1 | 49% | 0.491 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -52.3 | -17.9 | 176.9 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | V50 E54 Q55 F56 | V50-V52 PolarHBondContact O-N 3.39Å; V50-V52 VanDerWaalsContact O-N 3.13Å; V52-E54 PolarHBondContact O-N 2.89Å; V52-Q55 WeakPolarHBondContact O-CB 3.44Å; V52-Q55 PolarHBondContact O-N 3.2Å; V52-F56 HydrophobicContact CG1-CE2 3.93Å; V52-F56 HydrophobicContact CG1-CZ 3.89Å; V52-F56 WeakPolarHBondContact O-CD2 3.33Å; V52-F56 VanDerWaalsContact O-CE2 3.28Å; V52-F56 WeakPolarHBondContact O-CE2 3.17Å |
| 53 | V | 61.8 | Low | 67.5 | Low | 115 Ų | 115 | 135.4 Ų | 135.4 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -55 | -31.7 | 174.7 | -170.3 | 0 | 0 | 0 | 0 | 113 | P51 Q55 | P51-V53 HydrophobicContact CB-CB 4.39Å; P51-V53 HydrophobicContact CB-CG2 4.32Å; P51-V53 PolarHBondContact O-N 3Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.06Å |
| 54 | E | 60.2 | Low | 68.2 | Low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -80.2 | -7.6 | 176.6 | -76.2 | -175.5 | 170.7 | 0 | 0 | 114.2 | P51 V52 | P51-E54 PolarHBondContact O-N 2.84Å; V52-E54 PolarHBondContact O-N 2.89Å |
| 55 | Q | 64 | Low | 68.5 | Low | 143 Ų | 143 | 140.9 Ų | 140.9 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -85.3 | -8.1 | 178.8 | -62 | -176.7 | -2.9 | 0 | 0 | 113.4 | V52 V53 K57 | V52-Q55 WeakPolarHBondContact O-CB 3.44Å; V52-Q55 PolarHBondContact O-N 3.2Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.06Å; Q55-K57 PolarHBondContact O-N 2.87Å; Q55-K57 VanDerWaalsContact O-N 3.15Å |
| 56 | F | 70.3 | Confident | 68.6 | Low | 145 Ų | 145 | 137.1 Ų | 137.1 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | | | trans | -85.1 | 93.3 | 179 | -58.2 | -70.3 | 0 | 0 | 0 | 110 | V52 T58 | V52-F56 HydrophobicContact CG1-CE2 3.93Å; V52-F56 HydrophobicContact CG1-CZ 3.89Å; V52-F56 WeakPolarHBondContact O-CD2 3.33Å; V52-F56 VanDerWaalsContact O-CE2 3.28Å; V52-F56 WeakPolarHBondContact O-CE2 3.17Å; F56-T58 PolarHBondContact O-N 2.88Å; F56-T58 VanDerWaalsContact O-N 3.17Å |
| 57 | K | 76.4 | Confident | 68.5 | Low | 204 Ų | 204 | 134.6 Ų | 134.6 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | | | trans | -71.9 | 103.1 | 168 | -170.3 | 175.6 | -178.2 | -171.3 | 0 | 108.7 | Q55 | Q55-K57 PolarHBondContact O-N 2.87Å; Q55-K57 VanDerWaalsContact O-N 3.15Å |
| 58 | T | 74.3 | Confident | 68.3 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 135 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 109.5 | F56 | F56-T58 PolarHBondContact O-N 2.88Å; F56-T58 VanDerWaalsContact O-N 3.17Å |
| 59 | F | 75.5 | Confident | 67.6 | Low | 174 Ų | 174 | 136.4 Ų | 136.4 | 76% | 0.763 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 136.5 | 170.6 | 62.3 | -86.7 | 0 | 0 | 0 | 109.1 | V61 | F59-V61 HydrophobicContact CD2-CG2 3.95Å; F59-V61 HydrophobicContact CE2-CG2 3.79Å |
| 60 | S | 78.5 | Confident | 67.3 | Low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 135.5 | 167.2 | -57.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 61 | V | 82.1 | Confident | 66.5 | Low | 112 Ų | 112 | 137.2 Ų | 137.2 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 133.7 | 168.4 | -178 | 0 | 0 | 0 | 0 | 107.3 | F59 | F59-V61 HydrophobicContact CD2-CG2 3.95Å; F59-V61 HydrophobicContact CE2-CG2 3.79Å |
| 62 | Y | 78.1 | Confident | 65.9 | Low | 221 Ų | 221 | 139.2 Ų | 139.2 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 126.3 | 170 | -74.9 | -85.1 | 0 | 0 | 0 | 108.3 | D64 | Y62-D64 PolarHBondContact O-N 2.84Š|
| 63 | E | 75.6 | Confident | 65.2 | Low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 120.5 | 167.8 | -67.6 | -70.1 | 154.2 | 0 | 0 | 108.1 | N65 | E63-N65 PolarHBondContact O-N 2.72Š|
| 64 | D | 74.3 | Confident | 64.6 | Low | 120 Ų | 120 | 138.7 Ų | 138.7 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | | | trans | -81.1 | 93.9 | 175.5 | -172.4 | 6.3 | 0 | 0 | 0 | 108.4 | Y62 N66 | Y62-D64 PolarHBondContact O-N 2.84Å; D64-N66 PolarHBondContact O-N 2.96Å; D64-N66 VanDerWaalsContact OD1-CG 3.24Å; D64-N66 PolarHBondContact OD1-ND2 2.77Å; D64-N66 PolarHBondContact OD1-OD1 3.08Å; D64-N66 PolarHBondContact OD2-ND2 3.05Å |
| 65 | N | 66.8 | Low | 64.1 | Low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -74.4 | 68.9 | 174.9 | -73.9 | 34 | 0 | 0 | 0 | 110.1 | E63 D67 | E63-N65 PolarHBondContact O-N 2.72Å; N65-D67 VanDerWaalsContact C-N 3.29Å; N65-D67 PolarHBondContact O-N 3.06Å |
| 66 | N | 64.4 | Low | 62.9 | Low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | | | trans | -78.7 | -5.4 | -179.1 | -98.8 | -30.2 | 0 | 0 | 0 | 115.1 | D64 | D64-N66 PolarHBondContact O-N 2.96Å; D64-N66 VanDerWaalsContact OD1-CG 3.24Å; D64-N66 PolarHBondContact OD1-ND2 2.77Å; D64-N66 PolarHBondContact OD1-OD1 3.08Å; D64-N66 PolarHBondContact OD2-ND2 3.05Å |
| 67 | D | 62.7 | Low | 61.5 | Low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -155.9 | 109.3 | 176.6 | -136.6 | -16.4 | 0 | 0 | 0 | 110.9 | N65 | N65-D67 VanDerWaalsContact C-N 3.29Å; N65-D67 PolarHBondContact O-N 3.06Å |
| 68 | T | 55.2 | Low | 60 | Low | 116 Ų | 116 | 135.7 Ų | 135.7 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | trans | 172.4 | 73.5 | 131.5 | -54.5 | 0 | 0 | 0 | 0 | 107.4 | V70 | T68-V70 HydrophobicContact CG2-CG2 4.2Š|
| 69 | Q | 50.5 | Low | 58.4 | Low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -113.6 | 80.7 | 139 | -73.2 | -159.6 | 63.4 | 0 | 0 | 106.8 | A71 | Q69-A71 PolarHBondContact O-N 3.27Š|
| 70 | V | 53.8 | Low | 57.2 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | | | trans | -43.5 | 116.7 | 147.4 | 170.2 | 0 | 0 | 0 | 0 | 106.4 | T68 T72 | T68-V70 HydrophobicContact CG2-CG2 4.2Å; V70-T72 PolarHBondContact O-N 3.24Å; V70-T72 VanDerWaalsContact O-N 3.13Å |
| 71 | A | 46 | Very low | 55.5 | Low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -38.1 | 116 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q69 | Q69-A71 PolarHBondContact O-N 3.27Š|
| 72 | T | 51.2 | Low | 53.8 | Low | 121 Ų | 121 | 136.3 Ų | 136.3 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | -91.6 | 108.3 | 155.3 | 55.2 | 0 | 0 | 0 | 0 | 108.7 | V70 | V70-T72 PolarHBondContact O-N 3.24Å; V70-T72 VanDerWaalsContact O-N 3.13Å |
| 73 | S | 47.3 | Very low | 52.5 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 66.9 | 99 | 147.9 | 164.1 | 0 | 0 | 0 | 0 | 118 | | |
| 74 | G | 49.3 | Very low | 51.4 | Low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | | 107.1 | 117.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 75 | K | 49.5 | Very low | 50.2 | Low | 211 Ų | 211 | 132.6 Ų | 132.6 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | 84.8 | 106.6 | 154.9 | -52.9 | 173.1 | -179.2 | 176.3 | 0 | 117.8 | | |
| 76 | S | 38.7 | Very low | 49.2 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | | 138.5 | 107.5 | 108.1 | -164.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 77 | M | 41.6 | Very low | 48.4 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | trans | 37.5 | 119.7 | 145.6 | -58 | -150.3 | -46.2 | 0 | 0 | 122.7 | | |
| 78 | A | 43.5 | Very low | 47.8 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | | 42.8 | 122.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 79 | S | 40.8 | Very low | 47.5 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | | -162.3 | 100.1 | 126.6 | -166.1 | 0 | 0 | 0 | 0 | 110.7 | V81 | S79-V81 WeakPolarHBondContact OG-CG2 3.22Š|
| 80 | L | 50.2 | Low | 47.3 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | -74.8 | 111.7 | 156.3 | -177.4 | 101.2 | 0 | 0 | 0 | 106.5 | | |
| 81 | V | 43.3 | Very low | 46.8 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | | | trans | -131.4 | 99.1 | 166.3 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | S79 | S79-V81 WeakPolarHBondContact OG-CG2 3.22Š|
| 82 | D | 47.9 | Very low | 46.9 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | -42.1 | 129.4 | 149.4 | 171.4 | 34.6 | 0 | 0 | 0 | 113.6 | | |
| 83 | K | 50.7 | Low | 46.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -171.7 | 99.4 | 142.7 | -135.8 | 130.6 | 175.2 | 177.9 | 0 | 115 | | |
| 84 | E | 51 | Low | 46.7 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | | | trans | 34.3 | 135.1 | 130.7 | 82.6 | -156.3 | 161.8 | 0 | 0 | 123.9 | | |
| 85 | N | 50.7 | Low | 46.9 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | 73.3 | 100.1 | 149 | -58.5 | -50.8 | 0 | 0 | 0 | 120.6 | | |
| 86 | H | 44.5 | Very low | 46.8 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -126.8 | 88.3 | 139.7 | -101.6 | -74.5 | 0 | 0 | 0 | 109.5 | V88 | H86-V88 VanDerWaalsContact C-N 3.25Å; H86-V88 HydrophobicContact CB-CG2 4.27Å; H86-V88 PolarHBondContact O-N 2.86Å |
| 87 | D | 49 | Very low | 47.2 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -67.1 | 86 | 164.7 | -169.3 | 20.1 | 0 | 0 | 0 | 108 | K89 | D87-K89 PolarHBondContact O-N 2.86Š|
| 88 | V | 50.2 | Low | 48 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 49% | 0.485 | 76% | 0.756 | S | S | . | * | | | trans | -92.9 | 92.3 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 107.3 | H86 F90 | H86-V88 VanDerWaalsContact C-N 3.25Å; H86-V88 HydrophobicContact CB-CG2 4.27Å; H86-V88 PolarHBondContact O-N 2.86Å; V88-F90 HydrophobicContact CB-CE2 4.03Å; V88-F90 HydrophobicContact CB-CZ 4.35Å; V88-F90 HydrophobicContact CG1-CD2 4.23Å; V88-F90 HydrophobicContact CG1-CE1 4.11Å; V88-F90 HydrophobicContact CG1-CE2 3.8Å; V88-F90 HydrophobicContact CG1-CZ 3.73Å; V88-F90 VanDerWaalsContact O-CD2 3.22Å; V88-F90 WeakPolarHBondContact O-CD2 3.35Å; V88-F90 PolarHBondContact O-N 3.05Å |
| 89 | K | 48.3 | Very low | 48.3 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | -54.2 | 99 | 164.3 | -104.5 | 177.4 | 172.8 | 176.4 | 0 | 109.3 | D87 G91 | D87-K89 PolarHBondContact O-N 2.86Å; K89-G91 PolarHBondContact O-N 3.02Å; K89-G91 VanDerWaalsContact O-N 3.08Å |
| 90 | F | 46.6 | Very low | 49.2 | Very low | 188 Ų | 188 | 143 Ų | 143 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | -76.6 | 93.3 | 164.8 | -69.8 | -79.4 | 0 | 0 | 0 | 108.6 | V88 A92 | V88-F90 HydrophobicContact CB-CE2 4.03Å; V88-F90 HydrophobicContact CB-CZ 4.35Å; V88-F90 HydrophobicContact CG1-CD2 4.23Å; V88-F90 HydrophobicContact CG1-CE1 4.11Å; V88-F90 HydrophobicContact CG1-CE2 3.8Å; V88-F90 HydrophobicContact CG1-CZ 3.73Å; V88-F90 VanDerWaalsContact O-CD2 3.22Å; V88-F90 WeakPolarHBondContact O-CD2 3.35Å; V88-F90 PolarHBondContact O-N 3.05Å; F90-A92 PolarHBondContact O-N 2.89Å |
| 91 | G | 42.4 | Very low | 49.8 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | -62.3 | 119.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K89 | K89-G91 PolarHBondContact O-N 3.02Å; K89-G91 VanDerWaalsContact O-N 3.08Å |
| 92 | A | 48.1 | Very low | 50.9 | Low | 107 Ų | 107 | 141.3 Ų | 141.3 | 88% | 0.884 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 25.1 | 105.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | F90 | F90-A92 PolarHBondContact O-N 2.89Š|
| 93 | G | 43.9 | Very low | 51.5 | Low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | | | trans | 146.3 | 94.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | K95 | G93-K95 PolarHBondContact O-N 3.03Š|
| 94 | Q | 50.1 | Low | 52.3 | Low | 208 Ų | 208 | 138.2 Ų | 138.2 | 97% | 0.972 | 73% | 0.734 | S | S | * | * | | | trans | -46.3 | 101.5 | 170.4 | -69.1 | 176.6 | -45 | 0 | 0 | 109.4 | | |
| 95 | K | 53.1 | Low | 53.1 | Low | 196 Ų | 196 | 138.1 Ų | 138.1 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | | | trans | -107.3 | 100.9 | 156.3 | -66.5 | -172.9 | -179 | -177.3 | 0 | 103.1 | G93 L97 | G93-K95 PolarHBondContact O-N 3.03Å; K95-L97 PolarHBondContact O-N 3.48Å |
| 96 | E | 47.9 | Very low | 54 | Low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -39.1 | 106.7 | 164.7 | -171.8 | 174.4 | 179.4 | 0 | 0 | 107.2 | V98 | E96-V98 HydrophobicContact CG-CG2 3.95Å; E96-V98 PolarHBondContact O-N 3.13Å |
| 97 | L | 48.3 | Very low | 55.1 | Low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | -70.6 | 82.3 | 171 | -173.8 | 77.8 | 0 | 0 | 0 | 104.1 | K95 D99 | K95-L97 PolarHBondContact O-N 3.48Å; L97-D99 PolarHBondContact O-N 3.23Å |
| 98 | V | 57.2 | Low | 56.2 | Low | 74 Ų | 74 | 135 Ų | 135 | 45% | 0.448 | 74% | 0.744 | S | S | . | * | | | trans | -67.3 | 99.3 | 161.9 | -174.4 | 0 | 0 | 0 | 0 | 103.4 | E96 Y100 | E96-V98 HydrophobicContact CG-CG2 3.95Å; E96-V98 PolarHBondContact O-N 3.13Å; V98-Y100 VanDerWaalsContact C-N 3.31Å; V98-Y100 HydrophobicContact CB-CE2 4.34Å; V98-Y100 WeakPolarHBondContact O-CD2 3.41Å; V98-Y100 PolarHBondContact O-N 3.04Å |
| 99 | D | 51.1 | Low | 56.9 | Low | 133 Ų | 133 | 136.4 Ų | 136.4 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | trans | -55.2 | 103.9 | 165.6 | -77.4 | -32.8 | 0 | 0 | 0 | 105.9 | L97 D101 | L97-D99 PolarHBondContact O-N 3.23Å; D99-D101 PolarHBondContact O-N 3.17Å; D99-D101 VanDerWaalsContact O-N 3.08Å |
| 100 | Y | 59.3 | Low | 58 | Low | 187 Ų | 187 | 133.1 Ų | 133.1 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | trans | -73.2 | 103 | 172.4 | -73.4 | -85.6 | 0 | 0 | 0 | 106.4 | V98 L102 | V98-Y100 VanDerWaalsContact C-N 3.31Å; V98-Y100 HydrophobicContact CB-CE2 4.34Å; V98-Y100 WeakPolarHBondContact O-CD2 3.41Å; V98-Y100 PolarHBondContact O-N 3.04Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.18Å |
| 101 | D | 63.1 | Low | 59.3 | Low | 111 Ų | 111 | 131.2 Ų | 131.2 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | | | trans | -65.3 | 96.4 | 164.7 | -178.6 | 13.8 | 0 | 0 | 0 | 108.8 | D99 D103 S104 | D99-D101 PolarHBondContact O-N 3.17Å; D99-D101 VanDerWaalsContact O-N 3.08Å; D101-D103 PolarHBondContact O-N 3Å; D101-D103 VanDerWaalsContact OD1-CB 3.26Å; D101-D103 WeakPolarHBondContact OD1-CB 3.43Å; D101-D103 PolarHBondContact OD1-N 3.11Å; D101-D103 VanDerWaalsContact OD1-N 3.11Å; D101-S104 PolarHBondContact O-OG 3.14Å |
| 102 | L | 65.2 | Low | 60.6 | Low | 148 Ų | 148 | 133.5 Ų | 133.5 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 5.3 | 178.5 | -65.7 | 174 | 0 | 0 | 0 | 112.3 | Y100 S104 | Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.18Å; L102-S104 PolarHBondContact O-N 2.93Å |
| 103 | D | 61.4 | Low | 61.8 | Low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -6.9 | 172.4 | -65.4 | -19 | 0 | 0 | 0 | 111.9 | D101 | D101-D103 PolarHBondContact O-N 3Å; D101-D103 VanDerWaalsContact OD1-CB 3.26Å; D101-D103 WeakPolarHBondContact OD1-CB 3.43Å; D101-D103 PolarHBondContact OD1-N 3.11Å; D101-D103 VanDerWaalsContact OD1-N 3.11Å |
| 104 | S | 67.8 | Low | 63.3 | Low | 80 Ų | 80 | 138.5 Ų | 138.5 | 56% | 0.559 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -87.8 | 120.1 | 164.2 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | D101 L102 P106 | D101-S104 PolarHBondContact O-OG 3.14Å; L102-S104 PolarHBondContact O-N 2.93Å; S104-P106 WeakPolarHBondContact O-CD 3.45Å |
| 105 | T | 67.5 | Low | 64.7 | Low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | -57.4 | 119.9 | 167.3 | 31.6 | 0 | 0 | 0 | 0 | 109.5 | M107 | T105-M107 PolarHBondContact O-N 3.41Š|
| 106 | P | 69 | Low | 65.8 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | | | trans | -67.9 | 107.5 | 177.7 | 26.2 | -32.2 | 0 | 0 | 0 | 109.2 | S104 S108 | S104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-S108 VanDerWaalsContact C-N 3.25Å; P106-S108 PolarHBondContact O-N 2.88Å |
| 107 | M | 68.3 | Low | 67 | Low | 167 Ų | 167 | 130 Ų | 130 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | | | trans | -75.3 | 78.5 | 167.8 | -77.1 | -98.9 | -65.7 | 0 | 0 | 108.7 | T105 V109 | T105-M107 PolarHBondContact O-N 3.41Å; M107-V109 PolarHBondContact O-N 3.12Å |
| 108 | S | 70.8 | Confident | 68.4 | Low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | | | trans | -80.6 | 110.3 | 166.9 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | P106 | P106-S108 VanDerWaalsContact C-N 3.25Å; P106-S108 PolarHBondContact O-N 2.88Å |
| 109 | V | 65.7 | Low | 69.4 | Low | 110 Ų | 110 | 132.3 Ų | 132.3 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | | | trans | -96.9 | 110.8 | 170.9 | -167.3 | 0 | 0 | 0 | 0 | 106.8 | M107 | M107-V109 PolarHBondContact O-N 3.12Š|
| 110 | T | 71.1 | Confident | 70.2 | Confident | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | trans | -94.4 | 117.5 | 163.4 | 45.3 | 0 | 0 | 0 | 0 | 107.9 | V112 | T110-V112 PolarHBondContact O-N 3.06Š|
| 111 | D | 74.1 | Confident | 70.6 | Confident | 149 Ų | 149 | 132.2 Ų | 132.2 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | -65.5 | 103.8 | 171.3 | -69.5 | -31.4 | 0 | 0 | 0 | 108.1 | Q113 | D111-Q113 PolarHBondContact O-N 3Š|
| 112 | V | 69.2 | Low | 70.6 | Confident | 119 Ų | 119 | 133.8 Ų | 133.8 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | trans | -71.6 | 85.1 | 168.2 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | T110 S114 | T110-V112 PolarHBondContact O-N 3.06Å; V112-S114 VanDerWaalsContact C-N 3.25Å; V112-S114 PolarHBondContact O-N 3.44Å |
| 113 | Q | 74.3 | Confident | 70.3 | Confident | 183 Ų | 183 | 133.7 Ų | 133.7 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | | | trans | -63.8 | 95.7 | 163.9 | -128.2 | 179.1 | 3.7 | 0 | 0 | 106.5 | D111 | D111-Q113 PolarHBondContact O-N 3Š|
| 114 | S | 74.4 | Confident | 70.1 | Confident | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 126.2 | 177.4 | -67.4 | 0 | 0 | 0 | 0 | 107.7 | V112 M116 | V112-S114 VanDerWaalsContact C-N 3.25Å; V112-S114 PolarHBondContact O-N 3.44Å; S114-M116 PolarHBondContact O-N 3.21Å |
| 115 | P | 79.2 | Confident | 69.6 | Low | 126 Ų | 126 | 131.3 Ų | 131.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.7 | -179.2 | 20.2 | -29.7 | 0 | 0 | 0 | 108.9 | S117 | P115-S117 PolarHBondContact O-N 2.97Å; P115-S117 VanDerWaalsContact O-N 3.13Å |
| 116 | M | 77.9 | Confident | 69.1 | Low | 173 Ų | 173 | 133.1 Ų | 133.1 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.3 | 173.5 | -173.6 | 171.3 | 60.4 | 0 | 0 | 107.9 | S114 V118 | S114-M116 PolarHBondContact O-N 3.21Å; M116-V118 PolarHBondContact O-N 3.05Å |
| 117 | S | 73.1 | Confident | 68.4 | Low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 123.3 | 177.4 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | P115 D119 | P115-S117 PolarHBondContact O-N 2.97Å; P115-S117 VanDerWaalsContact O-N 3.13Å; S117-D119 PolarHBondContact O-N 2.83Å |
| 118 | V | 76.8 | Confident | 67.8 | Low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | trans | -81.6 | 115.5 | 176.9 | 177 | 0 | 0 | 0 | 0 | 109 | M116 R120 | M116-V118 PolarHBondContact O-N 3.05Å; V118-R120 PolarHBondContact O-N 3.22Å; V118-R120 VanDerWaalsContact O-N 3.14Å |
| 119 | D | 77.5 | Confident | 66.7 | Low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -66.6 | 106.7 | 173.1 | -68.8 | -39.8 | 0 | 0 | 0 | 110.3 | S117 S121 | S117-D119 PolarHBondContact O-N 2.83Å; D119-S121 PolarHBondContact O-N 3.01Å |
| 120 | R | 69.6 | Low | 66 | Low | 209 Ų | 209 | 135 Ų | 135 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | trans | -78.5 | 46 | 173.9 | -68.4 | -171.3 | 175 | -155.7 | 0.1 | 112.6 | V118 I122 L123 | V118-R120 PolarHBondContact O-N 3.22Å; V118-R120 VanDerWaalsContact O-N 3.14Å; R120-I122 VanDerWaalsContact C-N 3.31Å; R120-I122 PolarHBondContact O-N 3.22Å; R120-L123 HydrophobicContact CB-CD1 4.35Å |
| 121 | S | 67 | Low | 65.1 | Low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -9.5 | -177.8 | -173.4 | 0 | 0 | 0 | 0 | 114.4 | D119 | D119-S121 PolarHBondContact O-N 3.01Š|
| 122 | I | 62.6 | Low | 63.7 | Low | 145 Ų | 145 | 135.2 Ų | 135.2 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 18.4 | -175 | -102.9 | 170.9 | 0 | 0 | 0 | 114.6 | R120 G124 | R120-I122 VanDerWaalsContact C-N 3.31Å; R120-I122 PolarHBondContact O-N 3.22Å; I122-G124 PolarHBondContact O-N 3.06Å |
| 123 | L | 58.7 | Low | 62.7 | Low | 146 Ų | 146 | 135.7 Ų | 135.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 17 | 166.2 | -77.4 | 168 | 0 | 0 | 0 | 113.7 | R120 | R120-L123 HydrophobicContact CB-CD1 4.35Š|
| 124 | G | 57.4 | Low | 61.1 | Low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 2.9 | -180 | 0 | 0 | 0 | 0 | 0 | 116.1 | I122 | I122-G124 PolarHBondContact O-N 3.06Š|
| 125 | V | 57.2 | Low | 59.8 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -140.4 | 59.4 | 176.8 | -168 | 0 | 0 | 0 | 0 | 111.1 | | |
| 126 | I | 57.8 | Low | 58 | Low | 164 Ų | 164 | 134.4 Ų | 134.4 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | -129.2 | 76.9 | 142.9 | -55.2 | 178.8 | 0 | 0 | 0 | 104.1 | S128 | I126-S128 PolarHBondContact O-N 3.25Š|
| 127 | Q | 52.9 | Low | 56.5 | Low | 180 Ų | 180 | 133.2 Ų | 133.2 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -61.6 | 119.3 | 157 | -89.7 | 178.7 | -14.7 | 0 | 0 | 105.8 | S129 | Q127-S129 PolarHBondContact O-N 2.99Š|
| 128 | S | 56.2 | Low | 55 | Low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -40.8 | 106.4 | 165.9 | -49.9 | 0 | 0 | 0 | 0 | 110 | I126 | I126-S128 PolarHBondContact O-N 3.25Š|
| 129 | S | 48.9 | Very low | 53.5 | Low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -97.4 | 108.2 | 152 | -58.9 | 0 | 0 | 0 | 0 | 105.1 | Q127 | Q127-S129 PolarHBondContact O-N 2.99Š|
| 130 | D | 49.4 | Very low | 51.6 | Low | 143 Ų | 143 | 131.4 Ų | 131.4 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | trans | -50.6 | 144.4 | -175.2 | -62.6 | -59 | 0 | 0 | 0 | 113 | S132 | D130-S132 PolarHBondContact O-N 3.22Š|
| 131 | I | 52.2 | Low | 50.5 | Low | 162 Ų | 162 | 130.7 Ų | 130.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -51.6 | 119.4 | 163.4 | -77.3 | 155.8 | 0 | 0 | 0 | 109.2 | V133 | I131-V133 HydrophobicContact CG2-CG2 4.25Š|
| 132 | S | 45.7 | Very low | 49.7 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -123 | 101.2 | 150.7 | 165.4 | 0 | 0 | 0 | 0 | 107.3 | D130 G134 | D130-S132 PolarHBondContact O-N 3.22Å; S132-G134 PolarHBondContact O-N 3.45Å |
| 133 | V | 48.6 | Very low | 49 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | | | trans | -52.4 | 126.5 | 157.2 | 162.2 | 0 | 0 | 0 | 0 | 108.2 | I131 | I131-V133 HydrophobicContact CG2-CG2 4.25Š|
| 134 | G | 40.8 | Very low | 48.5 | Very low | 61 Ų | 61 | 130.3 Ų | 130.3 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | | | trans | -166.8 | 68.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S132 E136 | S132-G134 PolarHBondContact O-N 3.45Å; G134-E136 PolarHBondContact O-N 3.23Å |
| 135 | T | 47.3 | Very low | 47.9 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | -63.4 | 106.3 | 157.8 | 41.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 136 | E | 40.9 | Very low | 47.4 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -161.6 | 124.7 | 152.5 | 42.6 | -165.9 | -169.9 | 0 | 0 | 113 | G134 | G134-E136 PolarHBondContact O-N 3.23Š|
| 137 | T | 46.5 | Very low | 46.7 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | | | trans | -47.5 | 137.4 | 160.1 | 48.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 138 | G | 40.3 | Very low | 46.2 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | 166.9 | 97.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 139 | V | 45.8 | Very low | 45.5 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | | | trans | 25.5 | 112.6 | 137.9 | -174.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 140 | S | 38.2 | Very low | 45.2 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | | | trans | -77.1 | 143.2 | 155.7 | -67.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 141 | P | 46.4 | Very low | 44.8 | Very low | 195 Ų | 195 | 132 Ų | 132 | 100% | 1.266 | 84% | 0.844 | S | S | * | * | | | | -120.5 | 0 | 101.1 | 35.2 | -32 | 0 | 0 | 0 | 114.1 | | |