| 1 | M | 44.8 | Very low | 52.8 | Low | 243 Ų | 243 | 145.2 Ų | 145.2 | 100% | 1.197 | 82% | 0.817 | S | S | * | * | | | | 0 | 98.7 | 0 | -83.6 | -179.8 | -177.8 | 0 | 0 | 108.9 | | |
| 2 | I | 48.1 | Very low | 52.8 | Low | 154 Ų | 154 | 141.3 Ų | 141.3 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -148.4 | 114.6 | 143.1 | -63.4 | -169.9 | 0 | 0 | 0 | 104.2 | M4 | I2-M4 HydrophobicContact CG2-CG 3.65Š|
| 3 | L | 50.3 | Low | 52.6 | Low | 173 Ų | 173 | 147.8 Ų | 147.8 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | | | trans | -86.1 | 115.3 | 171.9 | -78.7 | 144.8 | 0 | 0 | 0 | 106.9 | | |
| 4 | M | 60.3 | Low | 52.8 | Low | 154 Ų | 154 | 150.8 Ų | 150.8 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | | | trans | -131 | 93.6 | 169.6 | -66.7 | -106.5 | 80.8 | 0 | 0 | 107.7 | I2 | I2-M4 HydrophobicContact CG2-CG 3.65Š|
| 5 | S | 57.7 | Low | 53.2 | Low | 122 Ų | 122 | 153.6 Ų | 153.6 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -75.3 | 120.5 | 161.9 | 50.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 6 | S | 59.5 | Low | 53.2 | Low | 94 Ų | 94 | 156 Ų | 156 | 66% | 0.657 | 82% | 0.818 | S | S | * | * | | | trans | -142.8 | 105 | 175.7 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 7 | V | 59.7 | Low | 53.6 | Low | 125 Ų | 125 | 153.7 Ų | 153.7 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | | | trans | -146.4 | 105 | 149.6 | 179 | 0 | 0 | 0 | 0 | 107.5 | | |
| 8 | D | 50.2 | Low | 54 | Low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | | | trans | -66.7 | 130 | 169.1 | -64.7 | -56.5 | 0 | 0 | 0 | 110.6 | | |
| 9 | H | 54.7 | Low | 53.7 | Low | 177 Ų | 177 | 151.3 Ų | 151.3 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | | | trans | -124.1 | 79.8 | 157.4 | -84.5 | 65.6 | 0 | 0 | 0 | 108.4 | S11 | H9-S11 PolarHBondContact O-N 2.82Š|
| 10 | S | 46.9 | Very low | 54.2 | Low | 111 Ų | 111 | 151.8 Ų | 151.8 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -76.9 | 106.8 | 161 | 44.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 11 | S | 48.7 | Very low | 54.5 | Low | 100 Ų | 100 | 150.6 Ų | 150.6 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | | | trans | -127.5 | 73 | 165.2 | -150.7 | 0 | 0 | 0 | 0 | 109.8 | H9 R13 | H9-S11 PolarHBondContact O-N 2.82Å; S11-R13 PolarHBondContact O-N 2.96Å |
| 12 | S | 53 | Low | 54.9 | Low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | trans | -68.9 | 91.8 | 165.3 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | K14 | S12-K14 VanDerWaalsContact C-N 3.31Å; S12-K14 PolarHBondContact O-N 2.74Å |
| 13 | R | 49.9 | Very low | 54.9 | Low | 226 Ų | 226 | 145.5 Ų | 145.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -80 | 81.4 | 173.9 | -144.4 | -178.8 | -69.8 | -162.7 | 0.5 | 109.4 | S11 Q15 | S11-R13 PolarHBondContact O-N 2.96Å; R13-Q15 PolarHBondContact O-N 3.36Å |
| 14 | K | 55.6 | Low | 55.1 | Low | 189 Ų | 189 | 145.6 Ų | 145.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -63.7 | 110.3 | 167.9 | -73.5 | 179.5 | 177.1 | 176.3 | 0 | 108.6 | S12 K16 | S12-K14 VanDerWaalsContact C-N 3.31Å; S12-K14 PolarHBondContact O-N 2.74Å; K14-K16 PolarHBondContact O-N 3.18Å |
| 15 | Q | 58 | Low | 54.9 | Low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -68.8 | 115.6 | 167.5 | -71.6 | -174 | -64.1 | 0 | 0 | 108.7 | R13 | R13-Q15 PolarHBondContact O-N 3.36Š|
| 16 | K | 53.7 | Low | 54.7 | Low | 192 Ų | 192 | 146 Ų | 146 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -68.4 | 127 | 171.8 | -84.4 | 173.5 | 169.3 | 175.9 | 0 | 109.2 | K14 | K14-K16 PolarHBondContact O-N 3.18Š|
| 17 | S | 60.2 | Low | 53.9 | Low | 117 Ų | 117 | 149.2 Ų | 149.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -74.1 | 123.5 | 164 | 40.7 | 0 | 0 | 0 | 0 | 109.4 | S19 | S17-S19 PolarHBondContact O-N 2.97Š|
| 18 | N | 60 | Low | 53.6 | Low | 152 Ų | 152 | 152.4 Ų | 152.4 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -81.8 | 100 | 169.9 | -69.7 | -10.8 | 0 | 0 | 0 | 108.3 | | |
| 19 | S | 49.6 | Very low | 53.9 | Low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -76.4 | 113.2 | 165.4 | 171 | 0 | 0 | 0 | 0 | 108 | S17 | S17-S19 PolarHBondContact O-N 2.97Š|
| 20 | L | 63.7 | Low | 54 | Low | 161 Ų | 161 | 149.7 Ų | 149.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -88.8 | 103.5 | 166.8 | -88 | 158 | 0 | 0 | 0 | 107.8 | | |
| 21 | D | 60.8 | Low | 54.4 | Low | 128 Ų | 128 | 151.2 Ų | 151.2 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | | | trans | -77.7 | 112.4 | 174.9 | -161.2 | 9.6 | 0 | 0 | 0 | 108.5 | | |
| 22 | T | 52.1 | Low | 55 | Low | 133 Ų | 133 | 153.5 Ų | 153.5 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | -111.4 | 88.9 | 174.7 | 47.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 23 | K | 48.2 | Very low | 55.3 | Low | 157 Ų | 157 | 157.1 Ų | 157.1 | 68% | 0.683 | 80% | 0.804 | S | S | * | * | | | trans | -132.4 | 118.5 | 173.2 | -76.2 | -170.3 | 179.7 | 178.3 | 0 | 111.5 | | |
| 24 | H | 54.1 | Low | 55.9 | Low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | 72 | 135.6 | 165.1 | -47.7 | -66.6 | 0 | 0 | 0 | 113.9 | | |
| 25 | Q | 56.3 | Low | 56.1 | Low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | cis | -164.4 | 129 | 49.6 | -77.3 | -177.6 | -46.7 | 0 | 0 | 109 | | |
| 26 | T | 53.7 | Low | 56.3 | Low | 114 Ų | 114 | 147.5 Ų | 147.5 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | | 97.8 | 98 | 106.2 | 56 | 0 | 0 | 0 | 0 | 115.5 | | |
| 27 | N | 43.7 | Very low | 56.9 | Low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | | 37.6 | 101.7 | 124.3 | -47.1 | -11.7 | 0 | 0 | 0 | 118.3 | | |
| 28 | E | 51.8 | Low | 56.8 | Low | 192 Ų | 192 | 149.9 Ų | 149.9 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | -135.8 | 117.1 | 143.1 | -165.7 | 168.4 | -167.9 | 0 | 0 | 108 | | |
| 29 | S | 56.6 | Low | 56.9 | Low | 115 Ų | 115 | 150 Ų | 150 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -80.9 | 135.1 | -174.2 | 46.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 30 | V | 58.2 | Low | 57 | Low | 148 Ų | 148 | 151.9 Ų | 151.9 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | | | trans | -125.1 | 124.8 | 157.6 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 31 | D | 55.7 | Low | 56.7 | Low | 144 Ų | 144 | 147.4 Ų | 147.4 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -72.5 | 157.8 | -165.8 | -149.2 | -5.2 | 0 | 0 | 0 | 113.7 | | |
| 32 | E | 60.9 | Low | 56.4 | Low | 148 Ų | 148 | 150.5 Ų | 150.5 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -59.9 | 163.8 | -169.8 | -48.2 | -95.4 | 150.6 | 0 | 0 | 112.5 | | |
| 33 | E | 59.5 | Low | 56.6 | Low | 175 Ų | 175 | 153.1 Ų | 153.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | -163.3 | 113.1 | 74.5 | -59.9 | -75.6 | 152.7 | 0 | 0 | 106.4 | | |
| 34 | D | 61.1 | Low | 56.9 | Low | 102 Ų | 102 | 150 Ų | 150 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | | | | 57.7 | 72.1 | 78.6 | -155.5 | 25.2 | 0 | 0 | 0 | 117.2 | N36 | D34-N36 VanDerWaalsContact OD1-CB 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.29Å; D34-N36 VanDerWaalsContact OD1-CG 3.28Å; D34-N36 PolarHBondContact OD1-N 3.25Å; D34-N36 PolarHBondContact OD1-ND2 3.02Å |
| 35 | D | 61.1 | Low | 57.3 | Low | 164 Ų | 164 | 151.5 Ų | 151.5 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -105.4 | 69.3 | 155.6 | -85 | -25.9 | 0 | 0 | 0 | 109.4 | D37 | D35-D37 PolarHBondContact O-N 2.86Š|
| 36 | N | 61.1 | Low | 57.5 | Low | 139 Ų | 139 | 151.9 Ų | 151.9 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | -81.8 | 79.7 | 171.2 | -90.6 | -48.9 | 0 | 0 | 0 | 111.8 | D34 R38 | D34-N36 VanDerWaalsContact OD1-CB 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.29Å; D34-N36 VanDerWaalsContact OD1-CG 3.28Å; D34-N36 PolarHBondContact OD1-N 3.25Å; D34-N36 PolarHBondContact OD1-ND2 3.02Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.82Å |
| 37 | D | 66.3 | Low | 58 | Low | 157 Ų | 157 | 156.2 Ų | 156.2 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 90.5 | 162.4 | -82.2 | -24.9 | 0 | 0 | 0 | 110.8 | D35 I39 | D35-D37 PolarHBondContact O-N 2.86Å; D37-I39 PolarHBondContact O-N 3.09Å |
| 38 | R | 58.7 | Low | 58.8 | Low | 202 Ų | 202 | 156.7 Ų | 156.7 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | -16.4 | 102 | 160.1 | -174.8 | 178.2 | 170.6 | -166.9 | -4.2 | 116.2 | N36 E40 | N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.82Å; R38-E40 HydrophobicContact CG-CG 4.27Å; R38-E40 IonicContact CZ-OE1 3.33Å; R38-E40 IonicContact NE-OE1 2.96Å; R38-E40 PolarHBondContact NE-OE1 2.97Å; R38-E40 IonicContact NH2-OE1 2.82Å; R38-E40 PolarHBondContact NH2-OE1 2.76Å |
| 39 | I | 62 | Low | 59.7 | Low | 156 Ų | 156 | 149.9 Ų | 149.9 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | -100 | 105.2 | 158.9 | -62.3 | 172.6 | 0 | 0 | 0 | 108.9 | D37 A41 | D37-I39 PolarHBondContact O-N 3.09Å; I39-A41 HydrophobicContact CG2-CB 4.46Å; I39-A41 PolarHBondContact O-N 2.85Å |
| 40 | E | 52 | Low | 60.4 | Low | 147 Ų | 147 | 150.5 Ų | 150.5 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | trans | -70.1 | 86.2 | 168.1 | -66.4 | -89.3 | 179.8 | 0 | 0 | 109.3 | R38 | R38-E40 HydrophobicContact CG-CG 4.27Å; R38-E40 IonicContact CZ-OE1 3.33Å; R38-E40 IonicContact NE-OE1 2.96Å; R38-E40 PolarHBondContact NE-OE1 2.97Å; R38-E40 IonicContact NH2-OE1 2.82Å; R38-E40 PolarHBondContact NH2-OE1 2.76Å |
| 41 | A | 57.1 | Low | 61.2 | Low | 67 Ų | 67 | 146.5 Ų | 146.5 | 55% | 0.554 | 71% | 0.712 | S | S | * | * | | | trans | -99.1 | 106.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109 | I39 K43 | I39-A41 HydrophobicContact CG2-CB 4.46Å; I39-A41 PolarHBondContact O-N 2.85Å; A41-K43 PolarHBondContact O-N 2.98Å |
| 42 | E | 54.4 | Low | 62.3 | Low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | | | trans | -54 | 96.3 | 168 | -78.6 | -171.2 | 142 | 0 | 0 | 110 | S44 | E42-S44 PolarHBondContact O-N 3.01Š|
| 43 | K | 56.3 | Low | 63.2 | Low | 189 Ų | 189 | 142.7 Ų | 142.7 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | | | trans | -74.6 | 78 | 172.4 | -69.2 | 178.9 | -176.9 | 173.5 | 0 | 108.9 | A41 K45 | A41-K43 PolarHBondContact O-N 2.98Å; K43-K45 PolarHBondContact O-N 3.39Å |
| 44 | S | 55.2 | Low | 64.4 | Low | 92 Ų | 92 | 143.9 Ų | 143.9 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | | | trans | -61 | 104.7 | 163.3 | 41.2 | 0 | 0 | 0 | 0 | 108.2 | E42 K46 | E42-S44 PolarHBondContact O-N 3.01Å; S44-K46 PolarHBondContact O-N 2.77Å |
| 45 | K | 60.9 | Low | 65.4 | Low | 205 Ų | 205 | 145.7 Ų | 145.7 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | | | trans | -68.6 | 65.3 | 177.8 | -67.5 | 176.5 | -178.2 | 172.1 | 0 | 110.4 | K43 K47 | K43-K45 PolarHBondContact O-N 3.39Å; K45-K47 PolarHBondContact O-N 2.84Å; K45-K47 VanDerWaalsContact O-N 3.09Å |
| 46 | K | 62.3 | Low | 66.2 | Low | 179 Ų | 179 | 139.4 Ų | 139.4 | 78% | 0.778 | 67% | 0.673 | S | S | * | * | | | trans | -67.8 | 107.1 | 167.3 | -75.6 | 179.7 | 178.8 | 172.6 | 0 | 107.1 | S44 R48 | S44-K46 PolarHBondContact O-N 2.77Å; K46-R48 PolarHBondContact O-N 3.24Å |
| 47 | K | 63.2 | Low | 67 | Low | 204 Ų | 204 | 136.1 Ų | 136.1 | 89% | 0.887 | 66% | 0.658 | S | S | * | * | | | trans | -54.9 | 108 | 169.3 | -74.5 | 179.5 | 177.3 | 176.6 | 0 | 107.2 | K45 A49 | K45-K47 PolarHBondContact O-N 2.84Å; K45-K47 VanDerWaalsContact O-N 3.09Å; K47-A49 PolarHBondContact O-N 3.15Å |
| 48 | R | 60.7 | Low | 67.5 | Low | 173 Ų | 173 | 131.9 Ų | 131.9 | 65% | 0.653 | 64% | 0.639 | S | S | * | * | | | trans | -62.5 | 106.5 | 169.7 | -82.4 | 174 | 71.5 | -176.2 | 3.5 | 107.3 | K46 | K46-R48 PolarHBondContact O-N 3.24Š|
| 49 | A | 69.7 | Low | 67.8 | Low | 49 Ų | 49 | 129.3 Ų | 129.3 | 41% | 0.405 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 133.8 | 171 | 0 | 0 | 0 | 0 | 0 | 109 | K47 E61 | K47-A49 PolarHBondContact O-N 3.15Å; A49-E61 WeakPolarHBondContact CB-OE2 3.42Å; A49-E61 PolarHBondContact O-N 3.37Å; A49-E61 VanDerWaalsContact O-N 3.15Å |
| 50 | F | 72.1 | Confident | 68 | Low | 127 Ų | 127 | 123 Ų | 123 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.8 | 171.1 | -69 | -93.9 | 0 | 0 | 0 | 107.2 | C58 R59 P60 | F50-C58 HydrophobicContact CB-CB 4.45Å; F50-R59 WeakPolarHBondContact CA-O 3.33Å; F50-P60 HydrophobicContact CD1-CB 4.26Å; F50-P60 HydrophobicContact CE1-CB 4.14Å |
| 51 | I | 75.5 | Confident | 68.3 | Low | 65 Ų | 65 | 121.3 Ų | 121.3 | 33% | 0.333 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.2 | 175.5 | -60.9 | 178.8 | 0 | 0 | 0 | 107.7 | C58 R59 E61 | I51-C58 CarbonylContact O-C 3.59Å; I51-C58 WeakPolarHBondContact O-CA 3.48Å; I51-R59 PolarHBondContact N-O 3.36Å; I51-R59 PolarHBondContact O-N 2.83Å; I51-E61 HydrophobicContact CD1-CB 4.02Å; I51-E61 VanDerWaalsContact CD1-CD 3.46Å; I51-E61 HydrophobicContact CD1-CG 3.56Å; I51-E61 WeakPolarHBondContact CD1-OE1 3.5Å; I51-E61 HydrophobicContact CG1-CB 4.23Å; I51-E61 HydrophobicContact CG1-CG 4.28Å |
| 52 | R | 78.6 | Confident | 68.5 | Low | 172 Ų | 172 | 122.3 Ų | 122.3 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.6 | 171.2 | -169.4 | -178.5 | -72.5 | -101.9 | 9.3 | 108.8 | G56 V57 | R52-G56 PolarHBondContact NH1-O 2.91Å; R52-V57 WeakPolarHBondContact CA-O 3.43Å |
| 53 | D | 78.8 | Confident | 68.6 | Low | 40 Ų | 40 | 118.6 Ų | 118.6 | 21% | 0.214 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -76.9 | 173.5 | 173.4 | 67.4 | 19.6 | 0 | 0 | 0 | 112.3 | N55 G56 V57 R59 | D53-N55 PolarHBondContact O-N 3.24Å; D53-N55 VanDerWaalsContact O-N 3.14Å; D53-N55 VanDerWaalsContact OD1-C 3.32Å; D53-N55 WeakPolarHBondContact OD1-CA 3.2Å; D53-N55 WeakPolarHBondContact OD1-CB 3.49Å; D53-N55 PolarHBondContact OD1-N 3.09Å; D53-G56 PolarHBondContact O-N 2.97Å; D53-G56 PolarHBondContact OD1-N 2.98Å; D53-V57 PolarHBondContact N-O 3.29Å; D53-V57 WeakPolarHBondContact OD1-CA 3.46Å; D53-V57 WeakPolarHBondContact OD1-CB 3.49Å; D53-V57 PolarHBondContact OD1-N 3.41Å; D53-V57 WeakPolarHBondContact OD2-CB 3.42Å; D53-R59 IonicContact OD2-NE 3.67Å |
| 54 | E | 84.6 | Confident | 68.5 | Low | 199 Ų | 199 | 118.7 Ų | 118.7 | 93% | 0.93 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -19.5 | 179.2 | -64.2 | 173.9 | -179 | 0 | 0 | 112.7 | | |
| 55 | N | 83.6 | Confident | 68.4 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 3.6 | 178.3 | -60.4 | 48.9 | 0 | 0 | 0 | 112 | D53 | D53-N55 PolarHBondContact O-N 3.24Å; D53-N55 VanDerWaalsContact O-N 3.14Å; D53-N55 VanDerWaalsContact OD1-C 3.32Å; D53-N55 WeakPolarHBondContact OD1-CA 3.2Å; D53-N55 WeakPolarHBondContact OD1-CB 3.49Å; D53-N55 PolarHBondContact OD1-N 3.09Å |
| 56 | G | 76.5 | Confident | 67.9 | Low | 32 Ų | 32 | 117.7 Ų | 117.7 | 33% | 0.33 | 58% | 0.576 | S | S | . | * | S | Bend | trans | 83.5 | 5.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R52 D53 | R52-G56 PolarHBondContact NH1-O 2.91Å; D53-G56 PolarHBondContact O-N 2.97Å; D53-G56 PolarHBondContact OD1-N 2.98Å |
| 57 | V | 78.7 | Confident | 67.3 | Low | 70 Ų | 70 | 115.8 Ų | 115.8 | 42% | 0.424 | 58% | 0.575 | S | S | . | * | | | trans | -86.7 | 119.8 | -179 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | R52 D53 R59 | R52-V57 WeakPolarHBondContact CA-O 3.43Å; D53-V57 PolarHBondContact N-O 3.29Å; D53-V57 WeakPolarHBondContact OD1-CA 3.46Å; D53-V57 WeakPolarHBondContact OD1-CB 3.49Å; D53-V57 PolarHBondContact OD1-N 3.41Å; D53-V57 WeakPolarHBondContact OD2-CB 3.42Å; V57-R59 HydrophobicContact CG1-CG 4.16Å; V57-R59 PolarHBondContact O-N 3.19Å |
| 58 | C | 75.8 | Confident | 66.7 | Low | 67 Ų | 67 | 115.2 Ų | 115.2 | 45% | 0.453 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 114.5 | 172.5 | -79.5 | 0 | 0 | 0 | 0 | 110.2 | F50 I51 | F50-C58 HydrophobicContact CB-CB 4.45Å; I51-C58 CarbonylContact O-C 3.59Å; I51-C58 WeakPolarHBondContact O-CA 3.48Å |
| 59 | R | 65.2 | Low | 66 | Low | 149 Ų | 149 | 115.1 Ų | 115.1 | 56% | 0.562 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.9 | 174.6 | -63.4 | -174.5 | -178.7 | -168.5 | -0.8 | 110.1 | F50 I51 D53 V57 E61 | F50-R59 WeakPolarHBondContact CA-O 3.33Å; I51-R59 PolarHBondContact N-O 3.36Å; I51-R59 PolarHBondContact O-N 2.83Å; D53-R59 IonicContact OD2-NE 3.67Å; V57-R59 HydrophobicContact CG1-CG 4.16Å; V57-R59 PolarHBondContact O-N 3.19Å; R59-E61 PolarHBondContact O-N 3.21Å |
| 60 | P | 66.1 | Low | 65.1 | Low | 23 Ų | 23 | 121.1 Ų | 121.1 | 15% | 0.149 | 60% | 0.604 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.7 | 132.3 | 171 | 24.7 | -30.6 | 0 | 0 | 0 | 108.9 | F50 S62 L63 | F50-P60 HydrophobicContact CD1-CB 4.26Å; F50-P60 HydrophobicContact CE1-CB 4.14Å; P60-S62 PolarHBondContact O-N 2.75Å; P60-L63 HydrophobicContact CG-CD1 3.64Å; P60-L63 HydrophobicContact CG-CG 3.96Å; P60-L63 PolarHBondContact O-N 3.13Å; P60-L63 VanDerWaalsContact O-N 3.09Å |
| 61 | E | 59.5 | Low | 63.9 | Low | 111 Ų | 111 | 123.6 Ų | 123.6 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -55 | -23.1 | -176 | -172 | 163.2 | -164.7 | 0 | 0 | 112.9 | A49 I51 R59 L63 | A49-E61 WeakPolarHBondContact CB-OE2 3.42Å; A49-E61 PolarHBondContact O-N 3.37Å; A49-E61 VanDerWaalsContact O-N 3.15Å; I51-E61 HydrophobicContact CD1-CB 4.02Å; I51-E61 VanDerWaalsContact CD1-CD 3.46Å; I51-E61 HydrophobicContact CD1-CG 3.56Å; I51-E61 WeakPolarHBondContact CD1-OE1 3.5Å; I51-E61 HydrophobicContact CG1-CB 4.23Å; I51-E61 HydrophobicContact CG1-CG 4.28Å; R59-E61 PolarHBondContact O-N 3.21Å; E61-L63 VanDerWaalsContact C-N 3.26Å; E61-L63 PolarHBondContact O-N 2.84Å |
| 62 | S | 60.2 | Low | 62.5 | Low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -72.5 | -2.9 | 178.3 | 69.3 | 0 | 0 | 0 | 0 | 116 | P60 | P60-S62 PolarHBondContact O-N 2.75Š|
| 63 | L | 57 | Low | 61.1 | Low | 115 Ų | 115 | 131.1 Ų | 131.1 | 60% | 0.602 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -100.3 | 5.8 | 179.7 | -68.7 | 178.4 | 0 | 0 | 0 | 113.9 | P60 E61 N65 | P60-L63 HydrophobicContact CG-CD1 3.64Å; P60-L63 HydrophobicContact CG-CG 3.96Å; P60-L63 PolarHBondContact O-N 3.13Å; P60-L63 VanDerWaalsContact O-N 3.09Å; E61-L63 VanDerWaalsContact C-N 3.26Å; E61-L63 PolarHBondContact O-N 2.84Å; L63-N65 PolarHBondContact O-N 3.38Å; L63-N65 VanDerWaalsContact O-N 3.13Å |
| 64 | R | 55.3 | Low | 59.6 | Low | 190 Ų | 190 | 136.5 Ų | 136.5 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -79.3 | 95.3 | 165 | -70 | -167.5 | 178.6 | -154.6 | -0.1 | 107.7 | V66 | R64-V66 PolarHBondContact O-N 3.24Š|
| 65 | N | 51.6 | Low | 58.2 | Low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | | | trans | -15.3 | 95.6 | 173.7 | -59.7 | -8.5 | 0 | 0 | 0 | 113.2 | L63 D67 | L63-N65 PolarHBondContact O-N 3.38Å; L63-N65 VanDerWaalsContact O-N 3.13Å; N65-D67 PolarHBondContact O-N 3.13Å |
| 66 | V | 50.8 | Low | 56.4 | Low | 121 Ų | 121 | 136.8 Ų | 136.8 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | | | trans | -66.2 | 119.4 | 154.7 | 175.5 | 0 | 0 | 0 | 0 | 104.9 | R64 M68 | R64-V66 PolarHBondContact O-N 3.24Å; V66-M68 PolarHBondContact O-N 3.07Å |
| 67 | D | 49.1 | Very low | 55.4 | Low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | | | trans | -41 | 126.2 | 175.6 | -87.5 | -44.6 | 0 | 0 | 0 | 110.9 | N65 E69 | N65-D67 PolarHBondContact O-N 3.13Å; D67-E69 PolarHBondContact O-N 3.46Å |
| 68 | M | 51.4 | Low | 54.2 | Low | 191 Ų | 191 | 146.5 Ų | 146.5 | 94% | 0.941 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -73.1 | 46.9 | -179.1 | -74.8 | -81.1 | -69.5 | 0 | 0 | 112 | V66 | V66-M68 PolarHBondContact O-N 3.07Š|
| 69 | E | 45.4 | Very low | 53.2 | Low | 171 Ų | 171 | 149.9 Ų | 149.9 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | | | trans | -111.8 | 67.9 | 174 | -76.4 | -166.7 | 166 | 0 | 0 | 110.7 | D67 | D67-E69 PolarHBondContact O-N 3.46Š|
| 70 | H | 51.7 | Low | 52.6 | Low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | | | trans | -131.3 | 77.4 | 163.2 | -85.6 | -63.1 | 0 | 0 | 0 | 111.2 | | |
| 71 | K | 46.5 | Very low | 52.3 | Low | 179 Ų | 179 | 153.1 Ų | 153.1 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | | | | 53.3 | 95.6 | 121.1 | -147.8 | 168.2 | -169.6 | 169.8 | 0 | 116.2 | R73 | K71-R73 PolarHBondContact O-N 3.1Š|
| 72 | E | 45.2 | Very low | 52.2 | Low | 200 Ų | 200 | 155.8 Ų | 155.8 | 94% | 0.935 | 77% | 0.767 | S | S | * | * | | | trans | -44.2 | 124 | 155.6 | -62.6 | 175.2 | 160.8 | 0 | 0 | 111 | | |
| 73 | R | 50.2 | Low | 52 | Low | 194 Ų | 194 | 155.9 Ų | 155.9 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | | | trans | -152.3 | 100.3 | 163.8 | -175 | 170.4 | -81.2 | -158.8 | -7.8 | 105.1 | K71 | K71-R73 PolarHBondContact O-N 3.1Š|
| 74 | E | 48.2 | Very low | 52.1 | Low | 153 Ų | 153 | 158.4 Ų | 158.4 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | | | | 63.8 | 123.3 | 111.1 | -68.9 | 171.2 | -176.1 | 0 | 0 | 110.5 | | |
| 75 | E | 53.3 | Low | 52.3 | Low | 165 Ų | 165 | 157 Ų | 157 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | cis | -168.3 | 151.5 | 29.8 | -103.9 | 154.7 | 170.3 | 0 | 0 | 108.2 | | |
| 76 | E | 47.5 | Very low | 52.8 | Low | 181 Ų | 181 | 156.8 Ų | 156.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -3.1 | 116.8 | 152.1 | -65.7 | 169.4 | 164 | 0 | 0 | 118.3 | | |
| 77 | D | 53.9 | Low | 53.2 | Low | 152 Ų | 152 | 157.3 Ų | 157.3 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | | -148.8 | 117.8 | 125.6 | -143 | -6.2 | 0 | 0 | 0 | 110.5 | N79 | D77-N79 PolarHBondContact O-N 3.02Š|
| 78 | N | 55.1 | Low | 53.9 | Low | 154 Ų | 154 | 156.7 Ų | 156.7 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | trans | -74.3 | 48.9 | -175.9 | -85.8 | -36.3 | 0 | 0 | 0 | 112 | T80 | N78-T80 PolarHBondContact O-N 2.97Š|
| 79 | N | 53.6 | Low | 54.5 | Low | 138 Ų | 138 | 151.4 Ų | 151.4 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | -88.7 | 89.1 | 167.6 | -112.2 | -7.8 | 0 | 0 | 0 | 108.7 | D77 I81 | D77-N79 PolarHBondContact O-N 3.02Å; N79-I81 VanDerWaalsContact C-N 3.25Å; N79-I81 PolarHBondContact O-N 3.49Å |
| 80 | T | 54.2 | Low | 55.7 | Low | 123 Ų | 123 | 153.6 Ų | 153.6 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -46.6 | 94.2 | 159.9 | -54.4 | 0 | 0 | 0 | 0 | 107.9 | N78 Q82 | N78-T80 PolarHBondContact O-N 2.97Å; T80-Q82 VanDerWaalsContact C-N 3.34Å; T80-Q82 PolarHBondContact O-N 3.35Å |
| 81 | I | 58.7 | Low | 56.5 | Low | 118 Ų | 118 | 153.4 Ų | 153.4 | 61% | 0.605 | 73% | 0.732 | S | S | * | * | | | trans | -61.4 | 104.2 | 175.3 | -58.9 | 176 | 0 | 0 | 0 | 105.1 | N79 N83 | N79-I81 VanDerWaalsContact C-N 3.25Å; N79-I81 PolarHBondContact O-N 3.49Å; I81-N83 VanDerWaalsContact CG2-CG 3.5Å; I81-N83 WeakPolarHBondContact CG2-ND2 3.45Å; I81-N83 WeakPolarHBondContact CG2-OD1 3.4Å; I81-N83 PolarHBondContact O-N 3.11Å; I81-N83 PolarHBondContact O-ND2 2.97Å; I81-N83 VanDerWaalsContact O-ND2 3.13Å |
| 82 | Q | 57.3 | Low | 57.6 | Low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | | | trans | -65.2 | 80.4 | 171.7 | -65.1 | -176.7 | -65.2 | 0 | 0 | 107.2 | T80 D84 | T80-Q82 VanDerWaalsContact C-N 3.34Å; T80-Q82 PolarHBondContact O-N 3.35Å; Q82-D84 PolarHBondContact O-N 2.94Å |
| 83 | N | 57 | Low | 58.7 | Low | 91 Ų | 91 | 145 Ų | 145 | 49% | 0.487 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | 2.7 | -177.4 | -78.1 | -60.2 | 0 | 0 | 0 | 113 | I81 E85 | I81-N83 VanDerWaalsContact CG2-CG 3.5Å; I81-N83 WeakPolarHBondContact CG2-ND2 3.45Å; I81-N83 WeakPolarHBondContact CG2-OD1 3.4Å; I81-N83 PolarHBondContact O-N 3.11Å; I81-N83 PolarHBondContact O-ND2 2.97Å; I81-N83 VanDerWaalsContact O-ND2 3.13Å; N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 2.93Å |
| 84 | D | 58.1 | Low | 59.8 | Low | 168 Ų | 168 | 142.4 Ų | 142.4 | 90% | 0.898 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -19.9 | -173.4 | -75.8 | -10.2 | 0 | 0 | 0 | 113.4 | Q82 | Q82-D84 PolarHBondContact O-N 2.94Š|
| 85 | E | 60.2 | Low | 61 | Low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -102.7 | -12.4 | -174.6 | -155.6 | 148 | -146.3 | 0 | 0 | 114.3 | N83 Y87 | N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 2.93Å; E85-Y87 PolarHBondContact O-N 2.76Å |
| 86 | F | 61.6 | Low | 61.8 | Low | 152 Ų | 152 | 137.4 Ų | 137.4 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -5.8 | -175 | -83.8 | -86.5 | 0 | 0 | 0 | 114.9 | | |
| 87 | Y | 58.5 | Low | 63.3 | Low | 132 Ų | 132 | 135.2 Ų | 135.2 | 52% | 0.518 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.7 | 39.5 | -178.1 | -62.6 | -77.3 | 0 | 0 | 0 | 113.7 | E85 N89 I92 | E85-Y87 PolarHBondContact O-N 2.76Å; Y87-N89 PolarHBondContact O-N 2.96Å; Y87-I92 HydrophobicContact CD1-CB 4.16Å; Y87-I92 HydrophobicContact CD1-CG2 3.49Å; Y87-I92 VanDerWaalsContact CD1-CG2 3.49Å; Y87-I92 HydrophobicContact CE1-CG2 3.49Å; Y87-I92 VanDerWaalsContact CE1-CG2 3.49Å |
| 88 | T | 64.2 | Low | 64.8 | Low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | | | trans | -68.1 | -21.7 | 167.8 | 37.8 | 0 | 0 | 0 | 0 | 112.9 | R90 | T88-R90 PolarHBondContact O-N 3.14Š|
| 89 | N | 65.1 | Low | 66.2 | Low | 80 Ų | 80 | 136.4 Ų | 136.4 | 43% | 0.428 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -74.5 | 112.3 | 175.4 | -169.2 | -25.5 | 0 | 0 | 0 | 111.1 | Y87 K91 I92 K93 | Y87-N89 PolarHBondContact O-N 2.96Å; N89-K91 PolarHBondContact O-N 3.06Å; N89-K91 VanDerWaalsContact O-N 3.1Å; N89-K91 PolarHBondContact OD1-N 3.04Å; N89-I92 HydrophobicContact CB-CB 4.31Å; N89-I92 HydrophobicContact CB-CD1 3.83Å; N89-I92 HydrophobicContact CB-CG1 3.87Å; N89-I92 PolarHBondContact O-N 3.29Å; N89-K93 PolarHBondContact O-N 3.49Å |
| 90 | R | 69.1 | Low | 67.4 | Low | 217 Ų | 217 | 133.1 Ų | 133.1 | 82% | 0.819 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -50.9 | -36.7 | 179.3 | -175.9 | 177.6 | 177.2 | 175.3 | 0.2 | 113.3 | T88 | T88-R90 PolarHBondContact O-N 3.14Å |
| 91 | K | 70.1 | Confident | 68.8 | Low | 171 Ų | 171 | 133.5 Ų | 133.5 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.1 | -35.1 | -179.6 | -64.9 | -177.1 | 178.7 | 179.6 | 0 | 112.2 | N89 | N89-K91 PolarHBondContact O-N 3.06Å; N89-K91 VanDerWaalsContact O-N 3.1Å; N89-K91 PolarHBondContact OD1-N 3.04Å |
| 92 | I | 69 | Low | 69.9 | Low | 67 Ų | 67 | 135.9 Ų | 135.9 | 34% | 0.344 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -81.2 | -34.6 | -179 | -50 | 179 | 0 | 0 | 0 | 110.3 | Y87 N89 E94 L95 G96 | Y87-I92 HydrophobicContact CD1-CB 4.16Å; Y87-I92 HydrophobicContact CD1-CG2 3.49Å; Y87-I92 VanDerWaalsContact CD1-CG2 3.49Å; Y87-I92 HydrophobicContact CE1-CG2 3.49Å; Y87-I92 VanDerWaalsContact CE1-CG2 3.49Å; N89-I92 HydrophobicContact CB-CB 4.31Å; N89-I92 HydrophobicContact CB-CD1 3.83Å; N89-I92 HydrophobicContact CB-CG1 3.87Å; N89-I92 PolarHBondContact O-N 3.29Å; I92-E94 PolarHBondContact O-N 3.42Å; I92-E94 VanDerWaalsContact O-N 3.11Å; I92-L95 WeakPolarHBondContact O-CB 3.46Å; I92-L95 PolarHBondContact O-N 3.47Å; I92-G96 PolarHBondContact O-N 3.28Å |
| 93 | K | 68.5 | Low | 71 | Confident | 137 Ų | 137 | 132 Ų | 132 | 60% | 0.596 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -55.2 | -29.2 | 173.5 | -174.7 | 173.2 | -176.5 | 171.4 | 0 | 113.1 | N89 | N89-K93 PolarHBondContact O-N 3.49Å |
| 94 | E | 71.8 | Confident | 72.2 | Confident | 138 Ų | 138 | 131.7 Ų | 131.7 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.4 | -30.9 | 177.4 | -166.7 | 160.9 | -151.2 | 0 | 0 | 112.8 | I92 G96 K97 | I92-E94 PolarHBondContact O-N 3.42Å; I92-E94 VanDerWaalsContact O-N 3.11Å; E94-G96 VanDerWaalsContact C-N 3.33Å; E94-G96 PolarHBondContact O-N 3.01Å; E94-K97 PolarHBondContact O-N 3.22Å |
| 95 | L | 73.7 | Confident | 73.2 | Confident | 146 Ų | 146 | 127.8 Ų | 127.8 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.1 | -28.1 | 176.1 | -62 | 175.4 | 0 | 0 | 0 | 113 | I92 K97 | I92-L95 WeakPolarHBondContact O-CB 3.46Å; I92-L95 PolarHBondContact O-N 3.47Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 3.09Å |
| 96 | G | 71.5 | Confident | 73.7 | Confident | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -0.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I92 E94 | I92-G96 PolarHBondContact O-N 3.28Å; E94-G96 VanDerWaalsContact C-N 3.33Å; E94-G96 PolarHBondContact O-N 3.01Å |
| 97 | K | 79 | Confident | 74 | Confident | 135 Ų | 135 | 124.1 Ų | 124.1 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -81.4 | 138.6 | 176.8 | -67.1 | -179.5 | -179.3 | 176.9 | 0 | 110.2 | E94 L95 F99 | E94-K97 PolarHBondContact O-N 3.22Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 3.09Å; K97-F99 PolarHBondContact O-N 3.21Å |
| 98 | E | 84.9 | Confident | 74.5 | Confident | 183 Ų | 183 | 126.5 Ų | 126.5 | 86% | 0.855 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 134.6 | 165.4 | -173.1 | 175.6 | -173.6 | 0 | 0 | 109.5 | | |
| 99 | F | 83.3 | Confident | 74.3 | Confident | 147 Ų | 147 | 126.7 Ų | 126.7 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 142.9 | 173.4 | 67.1 | -88.9 | 0 | 0 | 0 | 109.7 | K97 I104 | K97-F99 PolarHBondContact O-N 3.21Å; F99-I104 HydrophobicContact CD2-CD1 3.81Å; F99-I104 HydrophobicContact CD2-CG1 4.31Å; F99-I104 HydrophobicContact CE2-CD1 3.79Å |
| 100 | T | 80 | Confident | 74.4 | Confident | 70 Ų | 70 | 130.7 Ų | 130.7 | 43% | 0.429 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -101.7 | 158.8 | 175.1 | 68.7 | 0 | 0 | 0 | 0 | 110.4 | K102 D103 I104 | T100-K102 PolarHBondContact O-N 3.36Å; T100-K102 VanDerWaalsContact O-N 3.15Å; T100-K102 PolarHBondContact OG1-N 3.16Å; T100-D103 WeakPolarHBondContact CA-OD2 3.41Å; T100-D103 WeakPolarHBondContact CB-OD2 3.38Å; T100-D103 PolarHBondContact N-OD2 3.34Å; T100-D103 WeakPolarHBondContact O-CB 3.46Å; T100-D103 PolarHBondContact O-N 3.41Å; T100-D103 PolarHBondContact OG1-N 3.26Å; T100-D103 PolarHBondContact OG1-OD2 2.69Å; T100-I104 PolarHBondContact O-N 2.72Å |
| 101 | L | 83.5 | Confident | 74.3 | Confident | 130 Ų | 130 | 129.2 Ų | 129.2 | 68% | 0.681 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -57.2 | -29.2 | 171.8 | -69.4 | 176 | 0 | 0 | 0 | 111.9 | D103 I104 L105 | L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 3.5Å; L101-I104 PolarHBondContact O-N 3.37Å; L101-L105 HydrophobicContact CB-CD1 4.43Å; L101-L105 VanDerWaalsContact O-CB 3.31Å; L101-L105 WeakPolarHBondContact O-CB 3.18Å; L101-L105 WeakPolarHBondContact O-CG 3.31Å; L101-L105 PolarHBondContact O-N 3.44Å |
| 102 | K | 81.9 | Confident | 74.2 | Confident | 168 Ų | 168 | 128 Ų | 128 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.5 | -36.5 | 174.5 | -174 | -178.4 | 177.1 | -176 | 0 | 111.8 | T100 I104 L105 G106 | T100-K102 PolarHBondContact O-N 3.36Å; T100-K102 VanDerWaalsContact O-N 3.15Å; T100-K102 PolarHBondContact OG1-N 3.16Å; K102-I104 VanDerWaalsContact C-N 3.26Å; K102-I104 PolarHBondContact O-N 2.96Å; K102-L105 PolarHBondContact O-N 2.76Å; K102-G106 WeakPolarHBondContact O-CA 3.42Å; K102-G106 PolarHBondContact O-N 3.46Å |
| 103 | D | 81.1 | Confident | 74.2 | Confident | 86 Ų | 86 | 133.4 Ų | 133.4 | 46% | 0.46 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -67.4 | -30.9 | 179 | -56.4 | -45.2 | 0 | 0 | 0 | 111.7 | T100 L101 H107 | T100-D103 WeakPolarHBondContact CA-OD2 3.41Å; T100-D103 WeakPolarHBondContact CB-OD2 3.38Å; T100-D103 PolarHBondContact N-OD2 3.34Å; T100-D103 WeakPolarHBondContact O-CB 3.46Å; T100-D103 PolarHBondContact O-N 3.41Å; T100-D103 PolarHBondContact OG1-N 3.26Å; T100-D103 PolarHBondContact OG1-OD2 2.69Å; L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 3.5Å; D103-H107 PolarHBondContact O-CD2 3.15Å |
| 104 | I | 80.7 | Confident | 74.4 | Confident | 85 Ų | 85 | 133 Ų | 133 | 44% | 0.436 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -79.8 | -40.4 | 175.6 | -58.3 | 173.3 | 0 | 0 | 0 | 111 | F99 T100 L101 K102 | F99-I104 HydrophobicContact CD2-CD1 3.81Å; F99-I104 HydrophobicContact CD2-CG1 4.31Å; F99-I104 HydrophobicContact CE2-CD1 3.79Å; T100-I104 PolarHBondContact O-N 2.72Å; L101-I104 PolarHBondContact O-N 3.37Å; K102-I104 VanDerWaalsContact C-N 3.26Å; K102-I104 PolarHBondContact O-N 2.96Å |
| 105 | L | 78.6 | Confident | 74.6 | Confident | 86 Ų | 86 | 132.9 Ų | 132.9 | 45% | 0.45 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -86.7 | -23.4 | -172.1 | -64.7 | 175.3 | 0 | 0 | 0 | 113.3 | L101 K102 H107 R108 | L101-L105 HydrophobicContact CB-CD1 4.43Å; L101-L105 VanDerWaalsContact O-CB 3.31Å; L101-L105 WeakPolarHBondContact O-CB 3.18Å; L101-L105 WeakPolarHBondContact O-CG 3.31Å; L101-L105 PolarHBondContact O-N 3.44Å; K102-L105 PolarHBondContact O-N 2.76Å; L105-H107 PolarHBondContact O-N 3.07Å; L105-H107 VanDerWaalsContact O-N 3.16Å; L105-R108 WeakPolarHBondContact O-CB 3.43Å; L105-R108 PolarHBondContact O-N 3.26Å; L105-R108 VanDerWaalsContact O-N 3.09Å |
| 106 | G | 71.1 | Confident | 74.6 | Confident | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -13.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K102 R108 | K102-G106 WeakPolarHBondContact O-CA 3.42Å; K102-G106 PolarHBondContact O-N 3.46Å; G106-R108 VanDerWaalsContact C-N 3.33Å |
| 107 | H | 68 | Low | 74.7 | Confident | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.787 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 0.2 | 174.1 | -70.6 | -65.2 | 0 | 0 | 0 | 113.9 | D103 L105 V109 | D103-H107 PolarHBondContact O-CD2 3.15Å; L105-H107 PolarHBondContact O-N 3.07Å; L105-H107 VanDerWaalsContact O-N 3.16Å; H107-V109 PolarHBondContact O-N 2.91Å |
| 108 | R | 68.9 | Low | 74.4 | Confident | 182 Ų | 182 | 139.1 Ų | 139.1 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -83.8 | 103.4 | -178.3 | -63.3 | -172 | -172.5 | -155.1 | 4.8 | 111.3 | L105 G106 | L105-R108 WeakPolarHBondContact O-CB 3.43Å; L105-R108 PolarHBondContact O-N 3.26Å; L105-R108 VanDerWaalsContact O-N 3.09Å; G106-R108 VanDerWaalsContact C-N 3.33Å |
| 109 | V | 59.7 | Low | 73.7 | Confident | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 70% | 0.698 | S | S | * | * | | | trans | 60.1 | 114.1 | 148.1 | -170.7 | 0 | 0 | 0 | 0 | 116.8 | H107 E111 | H107-V109 PolarHBondContact O-N 2.91Å; V109-E111 PolarHBondContact O-N 3.44Å |
| 110 | L | 67.9 | Low | 73 | Confident | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | | | trans | -47.4 | 123.1 | 163.4 | -72.5 | 162.1 | 0 | 0 | 0 | 108.9 | L112 | L110-L112 PolarHBondContact O-N 3.08Å; L110-L112 VanDerWaalsContact O-N 3.08Å |
| 111 | E | 67.4 | Low | 72.3 | Confident | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | | | trans | -51 | 120.3 | 172.4 | -66.4 | -177.3 | 174.6 | 0 | 0 | 108 | V109 E113 | V109-E111 PolarHBondContact O-N 3.44Å; E111-E113 PolarHBondContact O-N 3Å |
| 112 | L | 68.3 | Low | 71.5 | Confident | 146 Ų | 146 | 142.6 Ų | 142.6 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | | | trans | -68.4 | 102 | 175.2 | -176.6 | 72.1 | 0 | 0 | 0 | 106.6 | L110 I114 | L110-L112 PolarHBondContact O-N 3.08Å; L110-L112 VanDerWaalsContact O-N 3.08Å; L112-I114 HydrophobicContact CD2-CD1 4.05Å; L112-I114 HydrophobicContact CD2-CG1 3.85Å; L112-I114 HydrophobicContact CG-CG1 3.94Å; L112-I114 PolarHBondContact O-N 3.03Å |
| 113 | E | 69.4 | Low | 70.8 | Confident | 180 Ų | 180 | 142.4 Ų | 142.4 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | | | trans | -63.7 | 102.8 | 166.5 | -71.6 | 176.6 | 178.1 | 0 | 0 | 107.5 | E111 | E111-E113 PolarHBondContact O-N 3Š|
| 114 | I | 72 | Confident | 69.9 | Low | 127 Ų | 127 | 140.5 Ų | 140.5 | 65% | 0.651 | 73% | 0.728 | S | S | * | * | | | trans | -93.2 | 103.4 | 168.9 | -56 | 175.5 | 0 | 0 | 0 | 106.2 | L112 N116 | L112-I114 HydrophobicContact CD2-CD1 4.05Å; L112-I114 HydrophobicContact CD2-CG1 3.85Å; L112-I114 HydrophobicContact CG-CG1 3.94Å; L112-I114 PolarHBondContact O-N 3.03Å; I114-N116 PolarHBondContact O-N 2.84Å |
| 115 | D | 76.1 | Confident | 68.8 | Low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | trans | -62.7 | 122.2 | 166.4 | -74.9 | -28.4 | 0 | 0 | 0 | 108.5 | I117 | D115-I117 VanDerWaalsContact C-N 3.27Å; D115-I117 PolarHBondContact O-N 3.28Å |
| 116 | N | 73.4 | Confident | 67.9 | Low | 154 Ų | 154 | 148.9 Ų | 148.9 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | -66.3 | 89.4 | 170.8 | -67.8 | -43 | 0 | 0 | 0 | 108.3 | I114 K118 | I114-N116 PolarHBondContact O-N 2.84Å; N116-K118 PolarHBondContact O-N 2.87Å |
| 117 | I | 74.1 | Confident | 67 | Low | 156 Ų | 156 | 159 Ų | 159 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -62.5 | 121.2 | 166.7 | -59.2 | 173.6 | 0 | 0 | 0 | 106 | D115 D119 | D115-I117 VanDerWaalsContact C-N 3.27Å; D115-I117 PolarHBondContact O-N 3.28Å; I117-D119 PolarHBondContact O-N 3.28Å |
| 118 | K | 73 | Confident | 66.9 | Low | 169 Ų | 169 | 158.4 Ų | 158.4 | 74% | 0.735 | 80% | 0.799 | S | S | * | * | | | trans | -61.4 | 124.6 | 175 | -66.3 | 179.8 | -179.9 | -176.8 | 0 | 108.1 | N116 D120 | N116-K118 PolarHBondContact O-N 2.87Å; K118-D120 PolarHBondContact O-N 3.22Å |
| 119 | D | 69.3 | Low | 66.8 | Low | 155 Ų | 155 | 157.2 Ų | 157.2 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | trans | -73.2 | 72.3 | 174.6 | -134.4 | 9.7 | 0 | 0 | 0 | 108 | I117 E121 | I117-D119 PolarHBondContact O-N 3.28Å; D119-E121 PolarHBondContact O-N 2.97Å; D119-E121 VanDerWaalsContact O-N 3.08Å |
| 120 | D | 67.8 | Low | 67.2 | Low | 142 Ų | 142 | 158.7 Ų | 158.7 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | -82 | 63.3 | 174 | -71.6 | -11.5 | 0 | 0 | 0 | 108.8 | K118 D122 | K118-D120 PolarHBondContact O-N 3.22Å; D120-D122 PolarHBondContact O-N 3.11Å |
| 121 | E | 65 | Low | 67.2 | Low | 155 Ų | 155 | 158.3 Ų | 158.3 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | -93.7 | 75.1 | 161.8 | -76.9 | -164.5 | 173.1 | 0 | 0 | 109.5 | D119 M123 | D119-E121 PolarHBondContact O-N 2.97Å; D119-E121 VanDerWaalsContact O-N 3.08Å; E121-M123 HydrophobicContact CB-CG 4.46Å; E121-M123 PolarHBondContact O-N 3.08Å |
| 122 | D | 67.6 | Low | 67.2 | Low | 152 Ų | 152 | 156.6 Ų | 156.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -67 | 81.8 | 159.7 | -175 | 15.9 | 0 | 0 | 0 | 108.9 | D120 G124 | D120-D122 PolarHBondContact O-N 3.11Å; D122-G124 PolarHBondContact O-N 3.46Å; D122-G124 VanDerWaalsContact O-N 3.11Å |
| 123 | M | 68.2 | Low | 67.1 | Low | 164 Ų | 164 | 157.3 Ų | 157.3 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -84.1 | 77.5 | 170.1 | -67.5 | -66.1 | -98 | 0 | 0 | 108.9 | E121 | E121-M123 HydrophobicContact CB-CG 4.46Å; E121-M123 PolarHBondContact O-N 3.08Å |
| 124 | G | 61.3 | Low | 66.9 | Low | 45 Ų | 45 | 155.6 Ų | 155.6 | 46% | 0.464 | 80% | 0.797 | S | S | . | * | | | trans | -58.1 | 152.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D122 | D122-G124 PolarHBondContact O-N 3.46Å; D122-G124 VanDerWaalsContact O-N 3.11Å |
| 125 | H | 58.2 | Low | 66.5 | Low | 179 Ų | 179 | 157.8 Ų | 157.8 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | 75.7 | 111.7 | 161.6 | -58.3 | -58.8 | 0 | 0 | 0 | 118.4 | | |
| 126 | N | 59.7 | Low | 65.8 | Low | 169 Ų | 169 | 159.6 Ų | 159.6 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | | | | -134.2 | 145 | 114.1 | -74.3 | -47.4 | 0 | 0 | 0 | 108.6 | | |
| 127 | E | 51.3 | Low | 65.1 | Low | 275 Ų | 275 | 160.1 Ų | 160.1 | 100% | 1.285 | 81% | 0.814 | S | S | * | * | | | trans | -38.9 | 0 | -176 | -83.1 | 169.3 | 138 | 0 | 0 | 118 | | |