| 1 | L | 58.5 | Low | 74.5 | Confident | 221 Ų | 221 | 141.7 Ų | 141.7 | 100% | 1.157 | 73% | 0.729 | S | S | * | * | | | | 0 | 104.2 | 0 | -74 | 159.5 | 0 | 0 | 0 | 106.4 | E3 | L1-E3 PolarHBondContact O-N 3.31Š|
| 2 | F | 64.6 | Low | 75.2 | Confident | 206 Ų | 206 | 142.7 Ų | 142.7 | 90% | 0.904 | 72% | 0.724 | S | S | * | * | | | trans | -78.9 | 113.7 | 174.1 | -76.2 | -84.2 | 0 | 0 | 0 | 107.3 | R4 | F2-R4 PolarHBondContact O-N 3.04Å; F2-R4 VanDerWaalsContact O-N 3.14Å |
| 3 | E | 71.6 | Confident | 75.8 | Confident | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | | | trans | -47.1 | 119.5 | 165.7 | -63.5 | -92.3 | 97.2 | 0 | 0 | 106.9 | L1 Q5 | L1-E3 PolarHBondContact O-N 3.31Å; E3-Q5 VanDerWaalsContact CB-OE1 3.31Å; E3-Q5 PolarHBondContact O-N 2.87Å |
| 4 | R | 73.7 | Confident | 76.5 | Confident | 248 Ų | 248 | 132.5 Ų | 132.5 | 94% | 0.936 | 68% | 0.681 | S | S | * | * | | | trans | -71.5 | 82.5 | 176.3 | -67.7 | -177.2 | -176.9 | -158.9 | 1.3 | 106.8 | F2 G6 | F2-R4 PolarHBondContact O-N 3.04Å; F2-R4 VanDerWaalsContact O-N 3.14Å; R4-G6 PolarHBondContact O-N 3.26Å |
| 5 | Q | 76 | Confident | 77.1 | Confident | 162 Ų | 162 | 126.2 Ų | 126.2 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | | | trans | -51.8 | 115.7 | 175.7 | -50.5 | -63.9 | 71.4 | 0 | 0 | 106.9 | E3 | E3-Q5 VanDerWaalsContact CB-OE1 3.31Å; E3-Q5 PolarHBondContact O-N 2.87Å |
| 6 | G | 76.8 | Confident | 77.4 | Confident | 65 Ų | 65 | 123.1 Ų | 123.1 | 67% | 0.67 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 162.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | R4 | R4-G6 PolarHBondContact O-N 3.26Š|
| 7 | L | 77.6 | Confident | 77.4 | Confident | 170 Ų | 170 | 121.8 Ų | 121.8 | 89% | 0.89 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.5 | 174.2 | -71.6 | 173.9 | 0 | 0 | 0 | 109.7 | G9 | L7-G9 PolarHBondContact O-N 3Š|
| 8 | P | 77.3 | Confident | 77.7 | Confident | 75 Ų | 75 | 123.6 Ų | 123.6 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 131.7 | 179.7 | 22.6 | -31.7 | 0 | 0 | 0 | 109.8 | K12 | P8-K12 HydrophobicContact CB-CB 3.93Å; P8-K12 HydrophobicContact CB-CD 3.39Å; P8-K12 HydrophobicContact CB-CG 4.27Å |
| 9 | G | 82.6 | Confident | 78 | Confident | 24 Ų | 24 | 128 Ų | 128 | 25% | 0.247 | 65% | 0.65 | C | S | . | * | P | Polyproline II helix | trans | -55.5 | 159.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | L7 E11 K12 | L7-G9 PolarHBondContact O-N 3Å; G9-E11 PolarHBondContact O-N 3.07Å; G9-K12 WeakPolarHBondContact O-CB 3.4Å; G9-K12 PolarHBondContact O-N 2.93Å |
| 10 | P | 78.9 | Confident | 78.1 | Confident | 89 Ų | 89 | 123.7 Ų | 123.7 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -59.1 | -22.4 | -177.2 | 25.1 | -34.6 | 0 | 0 | 0 | 112.9 | K12 L13 R18 | P10-K12 PolarHBondContact O-N 3.03Å; P10-L13 WeakPolarHBondContact O-CB 3.41Å; P10-L13 PolarHBondContact O-N 3.42Å; P10-R18 WeakPolarHBondContact O-CD 3.09Å; P10-R18 WeakPolarHBondContact O-CG 3.19Å |
| 11 | E | 81.4 | Confident | 78.3 | Confident | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -50.9 | -37.1 | 169.6 | -11.1 | 166.2 | 94 | 0 | 0 | 112.9 | G9 L13 | G9-E11 PolarHBondContact O-N 3.07Å; E11-L13 VanDerWaalsContact C-N 3.3Å |
| 12 | K | 83.9 | Confident | 79.3 | Confident | 153 Ų | 153 | 118 Ų | 118 | 67% | 0.665 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -85.5 | -3 | -178.1 | -65.1 | 170.6 | 178.1 | -176.7 | 0 | 112.7 | P8 G9 P10 | P8-K12 HydrophobicContact CB-CB 3.93Å; P8-K12 HydrophobicContact CB-CD 3.39Å; P8-K12 HydrophobicContact CB-CG 4.27Å; G9-K12 WeakPolarHBondContact O-CB 3.4Å; G9-K12 PolarHBondContact O-N 2.93Å; P10-K12 PolarHBondContact O-N 3.03Å |
| 13 | L | 82.8 | Confident | 79.8 | Confident | 63 Ų | 63 | 120.7 Ų | 120.7 | 33% | 0.33 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -86.9 | 147.2 | 175.5 | -58.5 | -178.9 | 0 | 0 | 0 | 110.6 | P10 E11 L17 R18 | P10-L13 WeakPolarHBondContact O-CB 3.41Å; P10-L13 PolarHBondContact O-N 3.42Å; E11-L13 VanDerWaalsContact C-N 3.3Å; L13-L17 HydrophobicContact CB-CB 4.43Å; L13-L17 HydrophobicContact CB-CD2 4.2Å; L13-L17 HydrophobicContact CD1-CD2 3.96Å; L13-L17 HydrophobicContact CD1-CG 4.21Å; L13-L17 HydrophobicContact CD2-CD2 4.03Å; L13-L17 HydrophobicContact CG-CD2 4.28Å; L13-R18 HydrophobicContact CB-CG 3.99Å; L13-R18 WeakPolarHBondContact O-CD 3.46Å; L13-R18 WeakPolarHBondContact O-CG 3.14Å |
| 14 | P | 85.1 | Confident | 79.3 | Confident | 80 Ų | 80 | 118.6 Ų | 118.6 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | | | trans | -58.9 | 147.2 | 174.8 | 24.8 | -33.2 | 0 | 0 | 0 | 110.7 | S16 L17 R18 | P14-S16 PolarHBondContact O-N 3.23Å; P14-L17 HydrophobicContact CG-CB 4.05Å; P14-L17 PolarHBondContact O-N 3.28Å; P14-R18 PolarHBondContact O-N 3.46Å |
| 15 | G | 85.4 | Confident | 78.7 | Confident | 38 Ų | 38 | 116.4 Ų | 116.4 | 39% | 0.392 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -56.3 | -27.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R19 | G15-R19 WeakPolarHBondContact O-CG 3.35Å; G15-R19 PolarHBondContact O-N 3.39Å |
| 16 | S | 82.3 | Confident | 77.8 | Confident | 77 Ų | 77 | 112.4 Ų | 112.4 | 54% | 0.538 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.2 | -43.8 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | P14 R18 R19 G20 | P14-S16 PolarHBondContact O-N 3.23Å; S16-R18 VanDerWaalsContact C-N 3.33Å; S16-R19 PolarHBondContact O-N 3.38Å; S16-G20 PolarHBondContact O-N 2.82Å |
| 17 | L | 76.7 | Confident | 77 | Confident | 100 Ų | 100 | 116.5 Ų | 116.5 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.3 | -31.7 | 178.9 | -171.5 | 64.6 | 0 | 0 | 0 | 111.3 | L13 P14 R19 G20 | L13-L17 HydrophobicContact CB-CB 4.43Å; L13-L17 HydrophobicContact CB-CD2 4.2Å; L13-L17 HydrophobicContact CD1-CD2 3.96Å; L13-L17 HydrophobicContact CD1-CG 4.21Å; L13-L17 HydrophobicContact CD2-CD2 4.03Å; L13-L17 HydrophobicContact CG-CD2 4.28Å; P14-L17 HydrophobicContact CG-CB 4.05Å; P14-L17 PolarHBondContact O-N 3.28Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.4Å; L17-G20 PolarHBondContact O-N 3.3Å |
| 18 | R | 83.6 | Confident | 76.1 | Confident | 155 Ų | 155 | 111.5 Ų | 111.5 | 59% | 0.585 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.1 | -34.5 | 170.4 | -71.1 | 176.4 | 62 | 178.5 | -0.2 | 113.3 | P10 L13 P14 S16 G20 | P10-R18 WeakPolarHBondContact O-CD 3.09Å; P10-R18 WeakPolarHBondContact O-CG 3.19Å; L13-R18 HydrophobicContact CB-CG 3.99Å; L13-R18 WeakPolarHBondContact O-CD 3.46Å; L13-R18 WeakPolarHBondContact O-CG 3.14Å; P14-R18 PolarHBondContact O-N 3.46Å; S16-R18 VanDerWaalsContact C-N 3.33Å; R18-G20 VanDerWaalsContact C-N 3.32Å |
| 19 | R | 83.3 | Confident | 74.9 | Confident | 207 Ų | 207 | 113.2 Ų | 113.2 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -7.7 | -179.8 | -71.8 | -170.1 | -63.5 | -107.8 | 5.3 | 113.7 | G15 S16 L17 | G15-R19 WeakPolarHBondContact O-CG 3.35Å; G15-R19 PolarHBondContact O-N 3.39Å; S16-R19 PolarHBondContact O-N 3.38Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.4Å |
| 20 | G | 80.8 | Confident | 73.4 | Confident | 41 Ų | 41 | 117.6 Ų | 117.6 | 42% | 0.423 | 65% | 0.646 | S | S | . | * | | | trans | 78.4 | 167.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S16 L17 R18 | S16-G20 PolarHBondContact O-N 2.82Å; L17-G20 PolarHBondContact O-N 3.3Å; R18-G20 VanDerWaalsContact C-N 3.32Å |
| 21 | I | 81 | Confident | 72.3 | Confident | 136 Ų | 136 | 118 Ų | 118 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | | | trans | -73.7 | 129.4 | 176.6 | -57.2 | 171.8 | 0 | 0 | 0 | 107.9 | R23 | I21-R23 PolarHBondContact O-N 3.04Š|
| 22 | P | 80.4 | Confident | 71 | Confident | 91 Ų | 91 | 115.9 Ų | 115.9 | 59% | 0.591 | 66% | 0.664 | S | S | * | * | | | trans | -50.3 | 136.2 | 175.3 | -26.9 | 34.2 | 0 | 0 | 0 | 111.3 | T24 | P22-T24 PolarHBondContact O-N 2.76Š|
| 23 | R | 74 | Confident | 68.8 | Low | 261 Ų | 261 | 114.3 Ų | 114.3 | 99% | 0.985 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -66.2 | 14.9 | 179.9 | -79.7 | -162.1 | 176.3 | 176.4 | 0.5 | 114.7 | I21 K25 | I21-R23 PolarHBondContact O-N 3.04Å; R23-K25 PolarHBondContact O-N 3.01Å |
| 24 | T | 61 | Low | 67.3 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 69% | 0.693 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -87.8 | 99.4 | 171.3 | 52.8 | 0 | 0 | 0 | 0 | 108.8 | P22 S26 | P22-T24 PolarHBondContact O-N 2.76Å; T24-S26 PolarHBondContact O-N 2.94Å |
| 25 | K | 61.6 | Low | 65.5 | Low | 202 Ų | 202 | 120 Ų | 120 | 88% | 0.878 | 70% | 0.703 | S | S | * | * | | | trans | 41.9 | 72.8 | 163.4 | -56.5 | -98.3 | 168.3 | 171.9 | 0 | 112.8 | R23 V27 | R23-K25 PolarHBondContact O-N 3.01Å; K25-V27 PolarHBondContact O-N 3.45Å |
| 26 | S | 58 | Low | 63.4 | Low | 78 Ų | 78 | 126.4 Ų | 126.4 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | | | trans | -60 | 108.6 | 172.6 | 56 | 0 | 0 | 0 | 0 | 110.4 | T24 G28 | T24-S26 PolarHBondContact O-N 2.94Å; S26-G28 PolarHBondContact O-N 3.44Å |
| 27 | V | 59.3 | Low | 61.7 | Low | 151 Ų | 151 | 128.8 Ų | 128.8 | 92% | 0.915 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -78 | 110.1 | 160.4 | 167.8 | 0 | 0 | 0 | 0 | 106.5 | K25 | K25-V27 PolarHBondContact O-N 3.45Š|
| 28 | G | 59.1 | Low | 60.2 | Low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | | | trans | 96 | 68.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S26 S30 | S26-G28 PolarHBondContact O-N 3.44Å; G28-S30 VanDerWaalsContact C-N 3.3Å; G28-S30 PolarHBondContact O-N 2.92Å |
| 29 | S | 51.3 | Low | 58.7 | Low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | trans | -89.7 | 77.2 | 146.5 | -73.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 30 | S | 52.4 | Low | 57 | Low | 116 Ų | 116 | 127 Ų | 127 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | | | trans | -131 | 74.5 | 165.8 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | G28 | G28-S30 VanDerWaalsContact C-N 3.3Å; G28-S30 PolarHBondContact O-N 2.92Å |
| 31 | A | 55.8 | Low | 55.7 | Low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -177.1 | 127.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 32 | A | 54.1 | Low | 53.9 | Low | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 76.7 | 89.1 | 163 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 33 | S | 35.9 | Very low | 52.7 | Low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | | -166.9 | 110.8 | 109.8 | -149.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 34 | P | 52.3 | Low | 51.7 | Low | 106 Ų | 106 | 123.5 Ų | 123.5 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | | | trans | -89.3 | 144.6 | 161.4 | 35.6 | -28.3 | 0 | 0 | 0 | 110.1 | | |
| 35 | L | 48 | Very low | 51.8 | Low | 157 Ų | 157 | 126.7 Ų | 126.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | 87.8 | 93.5 | 174.2 | -69.5 | 82.1 | 0 | 0 | 0 | 118.9 | | |
| 36 | H | 40.9 | Very low | 51.3 | Low | 173 Ų | 173 | 128.3 Ų | 128.3 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | | | | -166.2 | 111.8 | 119.5 | -134.1 | -96 | 0 | 0 | 0 | 110.9 | A38 | H36-A38 PolarHBondContact O-N 3.29Š|
| 37 | P | 45.4 | Very low | 51 | Low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -87.6 | 90.8 | 159.3 | 31.9 | -25.2 | 0 | 0 | 0 | 108.2 | R39 | P37-R39 PolarHBondContact O-N 3.01Š|
| 38 | A | 45.2 | Very low | 50.7 | Low | 82 Ų | 82 | 125.8 Ų | 125.8 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -76.9 | 100.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | H36 T40 | H36-A38 PolarHBondContact O-N 3.29Å; A38-T40 PolarHBondContact O-N 3.27Å |
| 39 | R | 52.2 | Low | 50.5 | Low | 208 Ų | 208 | 131.4 Ų | 131.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -54.9 | 117 | 171.7 | -173.3 | -179.8 | 173.8 | 169.4 | -1.2 | 109.9 | P37 | P37-R39 PolarHBondContact O-N 3.01Š|
| 40 | T | 48.3 | Very low | 50.7 | Low | 135 Ų | 135 | 131.5 Ų | 131.5 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -136.9 | 107.5 | 154.8 | -58.2 | 0 | 0 | 0 | 0 | 107.2 | A38 G42 | A38-T40 PolarHBondContact O-N 3.27Å; T40-G42 PolarHBondContact O-N 3.01Å |
| 41 | Q | 54.4 | Low | 50.6 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -68 | 115.4 | 174.4 | -76.5 | 174.2 | -82.6 | 0 | 0 | 108.6 | | |
| 42 | G | 42.2 | Very low | 50.5 | Low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -133.3 | 106.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | T40 A44 | T40-G42 PolarHBondContact O-N 3.01Å; G42-A44 PolarHBondContact O-N 3.21Å |
| 43 | S | 55.2 | Low | 50.6 | Low | 126 Ų | 126 | 133.1 Ų | 133.1 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | | | trans | -58.5 | 119.2 | 178.9 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 44 | A | 53 | Low | 51.8 | Low | 94 Ų | 94 | 133.7 Ų | 133.7 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | -161.3 | 76.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G42 R46 | G42-A44 PolarHBondContact O-N 3.21Å; A44-R46 VanDerWaalsContact C-N 3.32Å; A44-R46 PolarHBondContact O-N 3.38Å |
| 45 | L | 62.3 | Low | 51.9 | Low | 181 Ų | 181 | 132 Ų | 132 | 95% | 0.948 | 77% | 0.768 | S | S | * | * | | | trans | -68.1 | 94 | 159.1 | -70 | 171.4 | 0 | 0 | 0 | 107.9 | | |
| 46 | R | 52 | Low | 52.4 | Low | 236 Ų | 236 | 129.5 Ų | 129.5 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | | | trans | -149.4 | 95.7 | 158 | -119.8 | -174.6 | -66.4 | -93.9 | 2.9 | 110.5 | A44 A48 | A44-R46 VanDerWaalsContact C-N 3.32Å; A44-R46 PolarHBondContact O-N 3.38Å; R46-A48 PolarHBondContact O-N 3.18Å |
| 47 | G | 52.7 | Low | 53.3 | Low | 81 Ų | 81 | 125.5 Ų | 125.5 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | | | trans | 28.5 | 85.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 48 | A | 52.8 | Low | 54.1 | Low | 94 Ų | 94 | 125.7 Ų | 125.7 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | trans | -88.5 | 98.8 | 144.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | R46 C50 | R46-A48 PolarHBondContact O-N 3.18Å; A48-C50 PolarHBondContact O-N 3.34Å |
| 49 | K | 54.9 | Low | 55 | Low | 184 Ų | 184 | 126 Ų | 126 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | | | trans | -48.4 | 118.1 | 160.4 | -179.1 | -177.8 | 176.7 | -173.4 | 0 | 105.3 | E51 | K49-E51 PolarHBondContact O-N 2.96Š|
| 50 | C | 54.9 | Low | 56 | Low | 114 Ų | 114 | 121.2 Ų | 121.2 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | -61.6 | 87.2 | 166.7 | -48.9 | 0 | 0 | 0 | 0 | 105.1 | A48 C52 | A48-C50 PolarHBondContact O-N 3.34Å; C50-C52 PolarHBondContact O-N 2.72Å |
| 51 | E | 50 | Low | 57.2 | Low | 160 Ų | 160 | 118.5 Ų | 118.5 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | -63.2 | 104.9 | 162.2 | -173.5 | 165.7 | 97.8 | 0 | 0 | 103.4 | K49 A53 | K49-E51 PolarHBondContact O-N 2.96Å; E51-A53 PolarHBondContact O-N 3.23Å |
| 52 | C | 54.2 | Low | 58 | Low | 97 Ų | 97 | 113.7 Ų | 113.7 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | | | trans | -53.9 | 93.4 | 168.8 | -37.7 | 0 | 0 | 0 | 0 | 104.3 | C50 Q54 | C50-C52 PolarHBondContact O-N 2.72Å; C52-Q54 VanDerWaalsContact C-N 3.26Å; C52-Q54 PolarHBondContact O-N 2.96Å |
| 53 | A | 55.7 | Low | 59.3 | Low | 88 Ų | 88 | 112.9 Ų | 112.9 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | | | trans | -56.7 | 105.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 104 | E51 | E51-A53 PolarHBondContact O-N 3.23Š|
| 54 | Q | 60.6 | Low | 60.2 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | | | trans | -46.3 | 128.2 | -165 | -66.5 | -76.3 | -34.5 | 0 | 0 | 108.9 | C52 L56 P57 | C52-Q54 VanDerWaalsContact C-N 3.26Å; C52-Q54 PolarHBondContact O-N 2.96Å; Q54-L56 HydrophobicContact CB-CB 4.43Å; Q54-L56 HydrophobicContact CB-CD1 3.61Å; Q54-L56 HydrophobicContact CB-CG 3.83Å; Q54-L56 HydrophobicContact CG-CD1 4.21Å; Q54-L56 PolarHBondContact O-N 3.49Å; Q54-P57 WeakPolarHBondContact O-CD 3.23Å |
| 55 | P | 54.7 | Low | 61.1 | Low | 71 Ų | 71 | 110.1 Ų | 110.1 | 46% | 0.461 | 65% | 0.651 | S | S | . | * | | | trans | -71.8 | 20.4 | 179.2 | 31.8 | -35.4 | 0 | 0 | 0 | 112.5 | P57 L58 T59 | P55-P57 VanDerWaalsContact C-N 3.3Å; P55-L58 WeakPolarHBondContact O-CB 3.34Å; P55-L58 PolarHBondContact O-N 3.42Å; P55-T59 PolarHBondContact O-N 3.41Å; P55-T59 PolarHBondContact O-OG1 3.43Å |
| 56 | L | 59.6 | Low | 61.3 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -44.9 | -44.4 | 176.6 | -73.6 | 163.3 | 0 | 0 | 0 | 113.5 | Q54 L58 I60 | Q54-L56 HydrophobicContact CB-CB 4.43Å; Q54-L56 HydrophobicContact CB-CD1 3.61Å; Q54-L56 HydrophobicContact CB-CG 3.83Å; Q54-L56 HydrophobicContact CG-CD1 4.21Å; Q54-L56 PolarHBondContact O-N 3.49Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L56-L58 PolarHBondContact O-N 2.98Å; L56-I60 WeakPolarHBondContact O-CD1 3.41Å; L56-I60 VanDerWaalsContact O-CG1 3.23Å; L56-I60 WeakPolarHBondContact O-CG1 3.46Å; L56-I60 PolarHBondContact O-N 2.97Å; L56-I60 VanDerWaalsContact O-N 3.09Å |
| 57 | P | 60.1 | Low | 62.1 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.6 | -30 | 180 | 27.2 | -33.6 | 0 | 0 | 0 | 112.9 | Q54 P55 S61 | Q54-P57 WeakPolarHBondContact O-CD 3.23Å; P55-P57 VanDerWaalsContact C-N 3.3Å; P57-S61 WeakPolarHBondContact O-CB 3.02Å; P57-S61 PolarHBondContact O-N 3.49Å; P57-S61 PolarHBondContact O-OG 2.77Å |
| 58 | L | 60.7 | Low | 62.7 | Low | 130 Ų | 130 | 106 Ų | 106 | 68% | 0.681 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75 | -42 | 177.5 | -81.3 | 162.4 | 0 | 0 | 0 | 111.2 | P55 L56 S61 A62 | P55-L58 WeakPolarHBondContact O-CB 3.34Å; P55-L58 PolarHBondContact O-N 3.42Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L56-L58 PolarHBondContact O-N 2.98Å; L58-S61 PolarHBondContact O-N 2.95Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.14Å |
| 59 | T | 65.6 | Low | 63 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.4 | -42.5 | 178.2 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | P55 A62 A63 | P55-T59 PolarHBondContact O-N 3.41Å; P55-T59 PolarHBondContact O-OG1 3.43Å; T59-A62 PolarHBondContact O-N 3.44Å; T59-A63 WeakPolarHBondContact O-CB 3.48Å; T59-A63 PolarHBondContact O-N 2.94Å |
| 60 | I | 72.5 | Confident | 63.1 | Low | 108 Ų | 108 | 106.8 Ų | 106.8 | 55% | 0.554 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.8 | -41.2 | 177.7 | -65.4 | 166.2 | 0 | 0 | 0 | 110.8 | L56 A63 L64 | L56-I60 WeakPolarHBondContact O-CD1 3.41Å; L56-I60 VanDerWaalsContact O-CG1 3.23Å; L56-I60 WeakPolarHBondContact O-CG1 3.46Å; L56-I60 PolarHBondContact O-N 2.97Å; L56-I60 VanDerWaalsContact O-N 3.09Å; I60-A63 PolarHBondContact O-N 3.37Å; I60-L64 WeakPolarHBondContact O-CB 3.29Å; I60-L64 PolarHBondContact O-N 3.12Å |
| 61 | S | 72.4 | Confident | 63.1 | Low | 78 Ų | 78 | 105.3 Ų | 105.3 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66 | -42 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | P57 L58 L64 A65 | P57-S61 WeakPolarHBondContact O-CB 3.02Å; P57-S61 PolarHBondContact O-N 3.49Å; P57-S61 PolarHBondContact O-OG 2.77Å; L58-S61 PolarHBondContact O-N 2.95Å; S61-L64 PolarHBondContact O-N 2.82Å; S61-A65 VanDerWaalsContact O-CB 3.29Å; S61-A65 WeakPolarHBondContact O-CB 3.48Å; S61-A65 PolarHBondContact O-N 3.37Å |
| 62 | A | 71.4 | Confident | 63.5 | Low | 63 Ų | 63 | 106 Ų | 106 | 52% | 0.521 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.3 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L58 T59 A65 F66 | L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.14Å; T59-A62 PolarHBondContact O-N 3.44Å; A62-A65 PolarHBondContact O-N 3.09Å; A62-F66 WeakPolarHBondContact O-CB 3.42Å; A62-F66 PolarHBondContact O-N 2.79Å |
| 63 | A | 71.1 | Confident | 63.4 | Low | 55 Ų | 55 | 105.3 Ų | 105.3 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T59 I60 A65 F66 S67 | T59-A63 WeakPolarHBondContact O-CB 3.48Å; T59-A63 PolarHBondContact O-N 2.94Å; I60-A63 PolarHBondContact O-N 3.37Å; A63-A65 PolarHBondContact O-N 3.19Å; A63-F66 PolarHBondContact O-N 3.17Å; A63-S67 PolarHBondContact O-N 2.95Å; A63-S67 PolarHBondContact O-OG 3.47Å; A63-S67 VanDerWaalsContact O-OG 3.12Å |
| 64 | L | 72.4 | Confident | 63.2 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -40.5 | 178.6 | -150.7 | 93.6 | 0 | 0 | 0 | 111.7 | I60 S61 F66 S67 R68 | I60-L64 WeakPolarHBondContact O-CB 3.29Å; I60-L64 PolarHBondContact O-N 3.12Å; S61-L64 PolarHBondContact O-N 2.82Å; L64-F66 VanDerWaalsContact C-N 3.35Å; L64-S67 PolarHBondContact O-N 2.97Å; L64-R68 VanDerWaalsContact O-CG 3.23Å; L64-R68 WeakPolarHBondContact O-CG 3.37Å; L64-R68 PolarHBondContact O-N 2.83Å |
| 65 | A | 72.1 | Confident | 62.7 | Low | 60 Ų | 60 | 110.6 Ų | 110.6 | 50% | 0.496 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.8 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S61 A62 A63 R68 L69 | S61-A65 VanDerWaalsContact O-CB 3.29Å; S61-A65 WeakPolarHBondContact O-CB 3.48Å; S61-A65 PolarHBondContact O-N 3.37Å; A62-A65 PolarHBondContact O-N 3.09Å; A63-A65 PolarHBondContact O-N 3.19Å; A65-R68 PolarHBondContact O-N 2.95Å; A65-L69 WeakPolarHBondContact O-CB 3.25Å; A65-L69 PolarHBondContact O-N 2.69Å |
| 66 | F | 67.6 | Low | 62.4 | Low | 131 Ų | 131 | 111.6 Ų | 111.6 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.9 | -42.5 | 176.1 | -159.8 | -93.6 | 0 | 0 | 0 | 111.7 | A62 A63 L64 R68 L69 W70 | A62-F66 WeakPolarHBondContact O-CB 3.42Å; A62-F66 PolarHBondContact O-N 2.79Å; A63-F66 PolarHBondContact O-N 3.17Å; L64-F66 VanDerWaalsContact C-N 3.35Å; F66-R68 VanDerWaalsContact C-N 3.3Å; F66-R68 PolarHBondContact O-N 3.4Å; F66-L69 PolarHBondContact O-N 3.29Å; F66-W70 HydrophobicContact CE1-CE3 4.19Å; F66-W70 HydrophobicContact CZ-CE3 4.16Å; F66-W70 HydrophobicContact CZ-CZ3 4.34Å; F66-W70 WeakPolarHBondContact O-CB 3.23Å; F66-W70 PolarHBondContact O-N 3.46Å |
| 67 | S | 68.8 | Low | 62.3 | Low | 85 Ų | 85 | 110.5 Ų | 110.5 | 59% | 0.594 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.7 | -30.6 | 174.5 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | A63 L64 | A63-S67 PolarHBondContact O-N 2.95Å; A63-S67 PolarHBondContact O-OG 3.47Å; A63-S67 VanDerWaalsContact O-OG 3.12Å; L64-S67 PolarHBondContact O-N 2.97Å |
| 68 | R | 64.6 | Low | 61.9 | Low | 194 Ų | 194 | 111.3 Ų | 111.3 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.5 | -24.2 | 175 | -67.1 | -132.5 | -175.9 | -96 | -0.8 | 113.6 | L64 A65 F66 P71 | L64-R68 VanDerWaalsContact O-CG 3.23Å; L64-R68 WeakPolarHBondContact O-CG 3.37Å; L64-R68 PolarHBondContact O-N 2.83Å; A65-R68 PolarHBondContact O-N 2.95Å; F66-R68 VanDerWaalsContact C-N 3.3Å; F66-R68 PolarHBondContact O-N 3.4Å; R68-P71 VanDerWaalsContact C-CD 3.42Å; R68-P71 WeakPolarHBondContact O-CD 3.37Å; R68-P71 WeakPolarHBondContact O-CG 3.49Å |
| 69 | L | 59.9 | Low | 61.7 | Low | 140 Ų | 140 | 112 Ų | 112 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -82.2 | -28.3 | 174.7 | -170.7 | 61.1 | 0 | 0 | 0 | 112.2 | A65 F66 P71 | A65-L69 WeakPolarHBondContact O-CB 3.25Å; A65-L69 PolarHBondContact O-N 2.69Å; F66-L69 PolarHBondContact O-N 3.29Å; L69-P71 WeakPolarHBondContact O-CD 3.41Å |
| 70 | W | 56.7 | Low | 61.1 | Low | 155 Ų | 155 | 113.3 Ų | 113.3 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | | | trans | -93.5 | 17.7 | -179.5 | -148.9 | -91 | 0 | 0 | 0 | 119 | F66 Q72 C73 | F66-W70 HydrophobicContact CE1-CE3 4.19Å; F66-W70 HydrophobicContact CZ-CE3 4.16Å; F66-W70 HydrophobicContact CZ-CZ3 4.34Å; F66-W70 WeakPolarHBondContact O-CB 3.23Å; F66-W70 PolarHBondContact O-N 3.46Å; W70-Q72 PolarHBondContact O-N 2.72Å; W70-C73 HydrophobicContact CZ2-CB 4.47Å |
| 71 | P | 54.5 | Low | 60.1 | Low | 83 Ų | 83 | 115.1 Ų | 115.1 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -12.8 | 177.6 | -14.6 | 26.9 | 0 | 0 | 0 | 114.1 | R68 L69 | R68-P71 VanDerWaalsContact C-CD 3.42Å; R68-P71 WeakPolarHBondContact O-CD 3.37Å; R68-P71 WeakPolarHBondContact O-CG 3.49Å; L69-P71 WeakPolarHBondContact O-CD 3.41Å |
| 72 | Q | 58.3 | Low | 59.3 | Low | 176 Ų | 176 | 119.4 Ų | 119.4 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -7 | -168.3 | -64.3 | -74.5 | 56.3 | 0 | 0 | 114.5 | W70 R74 | W70-Q72 PolarHBondContact O-N 2.72Å; Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 PolarHBondContact O-N 3.05Å |
| 73 | C | 51.4 | Low | 58.3 | Low | 82 Ų | 82 | 121 Ų | 121 | 55% | 0.554 | 69% | 0.685 | S | S | * | * | | | trans | -96.6 | 57.1 | 170.7 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | W70 P75 | W70-C73 HydrophobicContact CZ2-CB 4.47Å; C73-P75 VanDerWaalsContact O-CD 3.25Å; C73-P75 WeakPolarHBondContact O-CD 3.36Å |
| 74 | R | 51.5 | Low | 57.8 | Low | 215 Ų | 215 | 123.6 Ų | 123.6 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | | | trans | -75 | 111.6 | 158.5 | -163.1 | -178.4 | -168.6 | -177.4 | 3.2 | 105 | Q72 A76 | Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 PolarHBondContact O-N 3.05Å; R74-A76 PolarHBondContact O-N 2.92Å |
| 75 | P | 50.4 | Low | 56.7 | Low | 115 Ų | 115 | 123.6 Ų | 123.6 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | | | trans | -55.9 | 118.1 | 164.1 | 23.5 | -29.3 | 0 | 0 | 0 | 105.1 | C73 S77 | C73-P75 VanDerWaalsContact O-CD 3.25Å; C73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-S77 PolarHBondContact O-N 3.33Å |
| 76 | A | 48.5 | Very low | 55.7 | Low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -48.1 | 117.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | R74 A78 | R74-A76 PolarHBondContact O-N 2.92Å; A76-A78 VanDerWaalsContact C-N 3.29Å; A76-A78 PolarHBondContact O-N 3.02Å |
| 77 | S | 57 | Low | 55.1 | Low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | | | trans | -55.1 | 106.8 | 168.2 | 53.1 | 0 | 0 | 0 | 0 | 104.9 | P75 I79 | P75-S77 PolarHBondContact O-N 3.33Å; S77-I79 PolarHBondContact O-N 3.34Å |
| 78 | A | 51.7 | Low | 54.3 | Low | 106 Ų | 106 | 131.5 Ų | 131.5 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | | | trans | -66.5 | 79 | 163.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | A76 | A76-A78 VanDerWaalsContact C-N 3.29Å; A76-A78 PolarHBondContact O-N 3.02Å |
| 79 | I | 56.7 | Low | 53.8 | Low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -82.2 | 129.1 | 159.2 | 39.7 | 168.8 | 0 | 0 | 0 | 107 | S77 | S77-I79 PolarHBondContact O-N 3.34Š|
| 80 | S | 52.5 | Low | 53.4 | Low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 71.7 | 97.5 | 172.5 | -73.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 81 | T | 52.7 | Low | 53.2 | Low | 146 Ų | 146 | 125.6 Ų | 125.6 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | | | | -107.6 | 102.8 | 125.2 | -77.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 82 | E | 55 | Low | 53.1 | Low | 169 Ų | 169 | 128.4 Ų | 128.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -15.5 | 132.3 | 143 | -177.4 | 172.7 | 107.7 | 0 | 0 | 114.6 | | |
| 83 | A | 51.1 | Low | 52.7 | Low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -141.6 | 126.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 84 | P | 60.5 | Low | 52.8 | Low | 110 Ų | 110 | 128.3 Ų | 128.3 | 71% | 0.714 | 83% | 0.831 | S | S | * | * | | | trans | -88.4 | 159.2 | -167.8 | 36.1 | -36 | 0 | 0 | 0 | 113.3 | | |
| 85 | A | 48.8 | Very low | 52.9 | Low | 102 Ų | 102 | 121.1 Ų | 121.1 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | | | trans | 52.8 | 121.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 86 | A | 50.3 | Low | 53.2 | Low | 179 Ų | 179 | 121.6 Ų | 121.6 | 100% | 1.479 | 84% | 0.841 | S | S | * | * | | | | -166.1 | 0 | 119.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |