| 1 | M | 57.5 | Low | 73 | Confident | 237 Ų | 237 | 137.5 Ų | 137.5 | 100% | 1.167 | 70% | 0.7 | S | S | * | * | | | | 0 | 117.2 | 0 | -66.8 | 174.5 | -177.4 | 0 | 0 | 105.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.13Š|
| 2 | I | 68.4 | Low | 72.9 | Confident | 163 Ų | 163 | 140.8 Ų | 140.8 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | | | trans | -71.7 | 118.2 | 176.9 | -61 | 167.1 | 0 | 0 | 0 | 105.8 | E4 | I2-E4 PolarHBondContact O-N 3Š|
| 3 | Q | 68.5 | Low | 72.5 | Confident | 139 Ų | 139 | 134.3 Ų | 134.3 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | | | trans | -66.4 | 127.2 | 175.1 | -75 | 176.3 | -77.3 | 0 | 0 | 107.2 | M1 N5 D6 | M1-Q3 PolarHBondContact O-N 3.13Å; Q3-N5 PolarHBondContact O-N 3.14Å; Q3-D6 PolarHBondContact O-N 3.45Å |
| 4 | E | 68.6 | Low | 72.2 | Confident | 133 Ų | 133 | 135.6 Ų | 135.6 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -58.1 | -17.9 | 179.6 | -59.5 | -173.2 | 99.5 | 0 | 0 | 112.3 | I2 D6 R10 | I2-E4 PolarHBondContact O-N 3Å; E4-D6 VanDerWaalsContact C-N 3.3Å; E4-D6 PolarHBondContact O-N 2.85Å; E4-R10 VanDerWaalsContact CB-NH1 3.28Å; E4-R10 WeakPolarHBondContact O-CD 3.32Å; E4-R10 IonicContact OE1-CZ 3.66Å; E4-R10 IonicContact OE1-NH2 3.06Å; E4-R10 PolarHBondContact OE1-NH2 3.15Å; E4-R10 IonicContact OE2-CZ 3.92Å; E4-R10 IonicContact OE2-NH1 3.91Å; E4-R10 IonicContact OE2-NH2 2.77Å; E4-R10 PolarHBondContact OE2-NH2 3.09Å |
| 5 | N | 69.7 | Low | 72.1 | Confident | 139 Ų | 139 | 135.3 Ų | 135.3 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -76.1 | -7.6 | 176.3 | -65.8 | 13.5 | 0 | 0 | 0 | 114.6 | Q3 R10 | Q3-N5 PolarHBondContact O-N 3.14Å; N5-R10 PolarHBondContact OD1-NH1 3.41Å |
| 6 | D | 76.3 | Confident | 71.4 | Confident | 118 Ų | 118 | 134.4 Ų | 134.4 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -89.9 | -3.1 | 177.7 | -97.7 | -78.8 | 0 | 0 | 0 | 113.6 | Q3 E4 P8 | Q3-D6 PolarHBondContact O-N 3.45Å; E4-D6 VanDerWaalsContact C-N 3.3Å; E4-D6 PolarHBondContact O-N 2.85Å; D6-P8 VanDerWaalsContact O-CD 3.24Å; D6-P8 WeakPolarHBondContact O-CD 3.49Å |
| 7 | N | 80.1 | Confident | 71.5 | Confident | 83 Ų | 83 | 134.8 Ų | 134.8 | 44% | 0.444 | 72% | 0.718 | S | S | . | * | | | trans | -85.7 | 110.7 | 177.2 | 179.6 | 6.7 | 0 | 0 | 0 | 110.2 | F9 R10 | N7-F9 PolarHBondContact O-N 3.23Å; N7-F9 VanDerWaalsContact O-N 3.11Å; N7-F9 WeakPolarHBondContact OD1-CB 3.19Å; N7-F9 PolarHBondContact OD1-N 3.32Å; N7-R10 HydrophobicContact CB-CB 4.07Å; N7-R10 VanDerWaalsContact O-CB 3.25Å; N7-R10 WeakPolarHBondContact O-CB 3.16Å; N7-R10 PolarHBondContact O-N 3.25Å |
| 8 | P | 82.8 | Confident | 71.9 | Confident | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -12.4 | 179.4 | 29.6 | -36.6 | 0 | 0 | 0 | 113.4 | D6 | D6-P8 VanDerWaalsContact O-CD 3.24Å; D6-P8 WeakPolarHBondContact O-CD 3.49Å |
| 9 | F | 79.5 | Confident | 72.2 | Confident | 179 Ų | 179 | 133.9 Ų | 133.9 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 2 | 172.3 | -58.1 | -77.5 | 0 | 0 | 0 | 113 | N7 P11 | N7-F9 PolarHBondContact O-N 3.23Å; N7-F9 VanDerWaalsContact O-N 3.11Å; N7-F9 WeakPolarHBondContact OD1-CB 3.19Å; N7-F9 PolarHBondContact OD1-N 3.32Å; F9-P11 WeakPolarHBondContact O-CD 2.95Å |
| 10 | R | 75 | Confident | 72.7 | Confident | 96 Ų | 96 | 132.6 Ų | 132.6 | 36% | 0.362 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -78.3 | 117.4 | 173.5 | -168.2 | 170.7 | -162.2 | -144.5 | 15.4 | 107.6 | E4 N5 N7 D12 | E4-R10 VanDerWaalsContact CB-NH1 3.28Å; E4-R10 WeakPolarHBondContact O-CD 3.32Å; E4-R10 IonicContact OE1-CZ 3.66Å; E4-R10 IonicContact OE1-NH2 3.06Å; E4-R10 PolarHBondContact OE1-NH2 3.15Å; E4-R10 IonicContact OE2-CZ 3.92Å; E4-R10 IonicContact OE2-NH1 3.91Å; E4-R10 IonicContact OE2-NH2 2.77Å; E4-R10 PolarHBondContact OE2-NH2 3.09Å; N5-R10 PolarHBondContact OD1-NH1 3.41Å; N7-R10 HydrophobicContact CB-CB 4.07Å; N7-R10 VanDerWaalsContact O-CB 3.25Å; N7-R10 WeakPolarHBondContact O-CB 3.16Å; N7-R10 PolarHBondContact O-N 3.25Å; R10-D12 PolarHBondContact O-N 3.38Å |
| 11 | P | 76.8 | Confident | 73.1 | Confident | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | | | trans | -57.5 | 132.2 | 174.9 | 23 | -31.1 | 0 | 0 | 0 | 109.1 | F9 G13 | F9-P11 WeakPolarHBondContact O-CD 2.95Å; P11-G13 PolarHBondContact O-N 3.02Å |
| 12 | D | 71.6 | Confident | 74.3 | Confident | 177 Ų | 177 | 125.1 Ų | 125.1 | 95% | 0.947 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -64.8 | 99.7 | 174.6 | -75.7 | -65.5 | 0 | 0 | 0 | 109.1 | R10 | R10-D12 PolarHBondContact O-N 3.38Š|
| 13 | G | 68.3 | Low | 74.9 | Confident | 57 Ų | 57 | 121.1 Ų | 121.1 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 123.9 | 169.9 | 165 | 0 | 0 | 0 | 0 | 0 | 115.8 | P11 L15 | P11-G13 PolarHBondContact O-N 3.02Å; G13-L15 PolarHBondContact O-N 3.28Å |
| 14 | N | 67.8 | Low | 75.4 | Confident | 152 Ų | 152 | 121.6 Ų | 121.6 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -58.4 | 122.5 | 170.7 | -45.1 | 25.6 | 0 | 0 | 0 | 106 | C16 | N14-C16 PolarHBondContact O-N 3.22Š|
| 15 | L | 70 | Confident | 75.8 | Confident | 131 Ų | 131 | 122.1 Ų | 122.1 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | | | trans | -49.3 | 107.9 | 171.3 | -179.2 | 57.4 | 0 | 0 | 0 | 106.7 | G13 H17 | G13-L15 PolarHBondContact O-N 3.28Å; L15-H17 WeakPolarHBondContact CD2-CE1 3.24Å; L15-H17 PolarHBondContact O-CD2 3.27Å; L15-H17 PolarHBondContact O-N 3.24Å |
| 16 | C | 62.3 | Low | 76.1 | Confident | 121 Ų | 121 | 122.7 Ų | 122.7 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | | | trans | -64.6 | 91.5 | -179.4 | -70.2 | 0 | 0 | 0 | 0 | 106.5 | N14 E18 | N14-C16 PolarHBondContact O-N 3.22Å; C16-E18 PolarHBondContact O-N 3.13Å |
| 17 | H | 72.7 | Confident | 76.1 | Confident | 141 Ų | 141 | 121 Ų | 121 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | | | trans | -78.1 | 71.3 | 169 | -63.1 | -68.3 | 0 | 0 | 0 | 106.2 | L15 V19 | L15-H17 WeakPolarHBondContact CD2-CE1 3.24Å; L15-H17 PolarHBondContact O-CD2 3.27Å; L15-H17 PolarHBondContact O-N 3.24Å; H17-V19 HydrophobicContact CB-CG2 4.17Å; H17-V19 PolarHBondContact O-N 2.99Å |
| 18 | E | 78.6 | Confident | 75.8 | Confident | 185 Ų | 185 | 122.2 Ų | 122.2 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | | | trans | -65.3 | 96.7 | 158.3 | -170.5 | 168.1 | 174.6 | 0 | 0 | 105.7 | C16 | C16-E18 PolarHBondContact O-N 3.13Š|
| 19 | V | 78.1 | Confident | 75.2 | Confident | 68 Ų | 68 | 122.6 Ų | 122.6 | 41% | 0.412 | 65% | 0.652 | S | S | . | * | | | trans | -79.9 | 120.2 | 178 | 176.5 | 0 | 0 | 0 | 0 | 105.8 | H17 V23 K24 | H17-V19 HydrophobicContact CB-CG2 4.17Å; H17-V19 PolarHBondContact O-N 2.99Å; V19-V23 HydrophobicContact CG1-CB 3.36Å; V19-V23 HydrophobicContact CG1-CG1 3.34Å; V19-K24 HydrophobicContact CG1-CB 4.29Å |
| 20 | D | 81.4 | Confident | 74.6 | Confident | 108 Ų | 108 | 118.4 Ų | 118.4 | 58% | 0.578 | 64% | 0.642 | S | S | * | * | | | trans | -45.8 | 141.3 | 175.3 | -82.9 | -44 | 0 | 0 | 0 | 110 | I22 V23 K24 | D20-I22 HydrophobicContact CB-CG2 3.95Å; D20-I22 PolarHBondContact O-N 2.67Å; D20-V23 HydrophobicContact CB-CG2 4.2Å; D20-V23 WeakPolarHBondContact O-CA 3.36Å; D20-V23 PolarHBondContact O-N 3.23Å; D20-K24 PolarHBondContact O-N 3.01Å |
| 21 | P | 81.9 | Confident | 74.1 | Confident | 109 Ų | 109 | 121.8 Ų | 121.8 | 71% | 0.708 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -51.3 | -32.7 | -178.7 | -28 | 33.9 | 0 | 0 | 0 | 113.2 | K24 K25 | P21-K24 PolarHBondContact O-N 3.44Å; P21-K25 PolarHBondContact O-N 2.83Å; P21-K25 VanDerWaalsContact O-N 3.09Å |
| 22 | I | 81.5 | Confident | 73.6 | Confident | 103 Ų | 103 | 122.2 Ų | 122.2 | 53% | 0.528 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -65.6 | -45.5 | 175.2 | -167.6 | 163.1 | 0 | 0 | 0 | 112.2 | D20 K24 K25 Y26 | D20-I22 HydrophobicContact CB-CG2 3.95Å; D20-I22 PolarHBondContact O-N 2.67Å; I22-K24 VanDerWaalsContact C-N 3.31Å; I22-K24 PolarHBondContact O-N 3.49Å; I22-K25 WeakPolarHBondContact O-CB 3.43Å; I22-K25 PolarHBondContact O-N 2.96Å; I22-K25 VanDerWaalsContact O-N 3.15Å; I22-Y26 HydrophobicContact CD1-CE2 4.23Å; I22-Y26 HydrophobicContact CG1-CD2 4.04Å; I22-Y26 HydrophobicContact CG1-CE2 3.66Å; I22-Y26 WeakPolarHBondContact O-CD2 3.25Å; I22-Y26 PolarHBondContact O-N 3.33Å |
| 23 | V | 80.6 | Confident | 73.3 | Confident | 79 Ų | 79 | 120.5 Ų | 120.5 | 48% | 0.479 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -66.6 | -37.2 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | V19 D20 K25 Y26 A27 | V19-V23 HydrophobicContact CG1-CB 3.36Å; V19-V23 HydrophobicContact CG1-CG1 3.34Å; D20-V23 HydrophobicContact CB-CG2 4.2Å; D20-V23 WeakPolarHBondContact O-CA 3.36Å; D20-V23 PolarHBondContact O-N 3.23Å; V23-K25 VanDerWaalsContact C-N 3.3Å; V23-K25 PolarHBondContact O-N 3.15Å; V23-Y26 PolarHBondContact O-N 3.39Å; V23-A27 PolarHBondContact O-N 2.87Å |
| 24 | K | 80.2 | Confident | 72.5 | Confident | 150 Ų | 150 | 123.1 Ų | 123.1 | 65% | 0.652 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.9 | -37 | 173.3 | -171 | 172.1 | -177.4 | 175.9 | 0 | 112.4 | V19 D20 P21 I22 A27 | V19-K24 HydrophobicContact CG1-CB 4.29Å; D20-K24 PolarHBondContact O-N 3.01Å; P21-K24 PolarHBondContact O-N 3.44Å; I22-K24 VanDerWaalsContact C-N 3.31Å; I22-K24 PolarHBondContact O-N 3.49Å; K24-A27 PolarHBondContact O-N 3.02Å |
| 25 | K | 76.3 | Confident | 71.8 | Confident | 144 Ų | 144 | 123.5 Ų | 123.5 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64 | -42.3 | 176.4 | -169.2 | -179.7 | -179.5 | -179.4 | 0 | 112.1 | P21 I22 V23 T28 K29 | P21-K25 PolarHBondContact O-N 2.83Å; P21-K25 VanDerWaalsContact O-N 3.09Å; I22-K25 WeakPolarHBondContact O-CB 3.43Å; I22-K25 PolarHBondContact O-N 2.96Å; I22-K25 VanDerWaalsContact O-N 3.15Å; V23-K25 VanDerWaalsContact C-N 3.3Å; V23-K25 PolarHBondContact O-N 3.15Å; K25-T28 PolarHBondContact O-N 2.77Å; K25-T28 PolarHBondContact O-OG1 3.03Å; K25-K29 PolarHBondContact O-N 3.06Å |
| 26 | Y | 77 | Confident | 70.9 | Confident | 150 Ų | 150 | 124.9 Ų | 124.9 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.1 | -26 | 179.1 | -73.5 | -74.2 | 0 | 0 | 0 | 113.4 | I22 V23 T28 K29 | I22-Y26 HydrophobicContact CD1-CE2 4.23Å; I22-Y26 HydrophobicContact CG1-CD2 4.04Å; I22-Y26 HydrophobicContact CG1-CE2 3.66Å; I22-Y26 WeakPolarHBondContact O-CD2 3.25Å; I22-Y26 PolarHBondContact O-N 3.33Å; V23-Y26 PolarHBondContact O-N 3.39Å; Y26-T28 PolarHBondContact O-N 3.04Å; Y26-K29 CarbonylContact O-C 3.27Å; Y26-K29 VanDerWaalsContact O-C 3.27Å; Y26-K29 PolarHBondContact O-N 3.26Å |
| 27 | A | 75.5 | Confident | 70.3 | Confident | 83 Ų | 83 | 127 Ų | 127 | 69% | 0.686 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -59.2 | -33.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | V23 K24 | V23-A27 PolarHBondContact O-N 2.87Å; K24-A27 PolarHBondContact O-N 3.02Å |
| 28 | T | 73.6 | Confident | 69.2 | Low | 109 Ų | 109 | 127 Ų | 127 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -89.9 | -17.2 | 177.5 | 46.6 | 0 | 0 | 0 | 0 | 114.9 | K25 Y26 | K25-T28 PolarHBondContact O-N 2.77Å; K25-T28 PolarHBondContact O-OG1 3.03Å; Y26-T28 PolarHBondContact O-N 3.04Å |
| 29 | K | 70.4 | Confident | 67.7 | Low | 126 Ų | 126 | 122 Ų | 122 | 55% | 0.548 | 66% | 0.663 | S | S | . | * | | | trans | -138.1 | 75.3 | -178.6 | -63.6 | -170 | 179.5 | -157.8 | 0 | 109 | K25 Y26 F31 | K25-K29 PolarHBondContact O-N 3.06Å; Y26-K29 CarbonylContact O-C 3.27Å; Y26-K29 VanDerWaalsContact O-C 3.27Å; Y26-K29 PolarHBondContact O-N 3.26Å; K29-F31 PolarHBondContact O-N 2.8Å; K29-F31 VanDerWaalsContact O-N 3.13Å |
| 30 | P | 67.7 | Low | 66.2 | Low | 90 Ų | 90 | 124.9 Ų | 124.9 | 58% | 0.584 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -62.7 | -20.5 | -176.6 | 24.2 | -32.9 | 0 | 0 | 0 | 112.4 | | |
| 31 | F | 64 | Low | 64.7 | Low | 167 Ų | 167 | 129.5 Ų | 129.5 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -134.3 | 145 | 177.9 | -53.7 | -73.2 | 0 | 0 | 0 | 109.6 | K29 | K29-F31 PolarHBondContact O-N 2.8Å; K29-F31 VanDerWaalsContact O-N 3.13Å |
| 32 | P | 66.8 | Low | 63 | Low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | | | trans | -58.2 | 140 | 165.8 | 26.9 | -32.5 | 0 | 0 | 0 | 108.9 | S34 | P32-S34 PolarHBondContact O-N 2.71Š|
| 33 | D | 64.8 | Low | 61.6 | Low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | trans | -51.9 | 114.3 | 172.9 | -103.9 | -73.2 | 0 | 0 | 0 | 108.3 | M35 | D33-M35 VanDerWaalsContact C-N 3.27Å; D33-M35 PolarHBondContact O-N 2.94Å; D33-M35 VanDerWaalsContact O-N 3.13Å |
| 34 | S | 51.5 | Low | 60 | Low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | | | trans | -88.9 | 51 | -169.2 | 64 | 0 | 0 | 0 | 0 | 111.6 | P32 | P32-S34 PolarHBondContact O-N 2.71Š|
| 35 | M | 52.6 | Low | 58.4 | Low | 160 Ų | 160 | 136.3 Ų | 136.3 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | | | trans | -162.2 | 121.8 | 170.9 | -65 | -159.6 | 147.4 | 0 | 0 | 105.7 | D33 | D33-M35 VanDerWaalsContact C-N 3.27Å; D33-M35 PolarHBondContact O-N 2.94Å; D33-M35 VanDerWaalsContact O-N 3.13Å |
| 36 | D | 52.1 | Low | 56.8 | Low | 159 Ų | 159 | 134.7 Ų | 134.7 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | | | cis | -141.3 | 144.9 | 48.5 | -64.7 | -74.9 | 0 | 0 | 0 | 113.6 | | |
| 37 | D | 48.4 | Very low | 55.5 | Low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | | | trans | -72.4 | 110.7 | 167.9 | -173.8 | -108.1 | 0 | 0 | 0 | 109 | | |
| 38 | D | 50.8 | Low | 54.1 | Low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | trans | 154.5 | 136 | 147.4 | -169 | -94.3 | 0 | 0 | 0 | 111.9 | | |
| 39 | S | 47.5 | Very low | 52.9 | Low | 81 Ų | 81 | 139.3 Ų | 139.3 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | | | trans | 87.3 | 121.8 | 168 | -75.3 | 0 | 0 | 0 | 0 | 120 | R41 | S39-R41 PolarHBondContact O-N 3.28Š|
| 40 | P | 45.9 | Very low | 51.6 | Low | 129 Ų | 129 | 139.5 Ų | 139.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -82.1 | 82.7 | 172.9 | 35.4 | -30.4 | 0 | 0 | 0 | 108.9 | K42 | P40-K42 PolarHBondContact O-N 2.96Š|
| 41 | R | 50 | Low | 50.5 | Low | 205 Ų | 205 | 143 Ų | 143 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | -85.3 | 98 | 169.9 | -81.5 | -172.5 | 175.1 | -141.5 | 1.3 | 110.1 | S39 E43 | S39-R41 PolarHBondContact O-N 3.28Å; R41-E43 HydrophobicContact CB-CG 4.48Å; R41-E43 PolarHBondContact O-N 2.95Å; R41-E43 VanDerWaalsContact O-N 3.14Å |
| 42 | K | 45.3 | Very low | 49.3 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -48.4 | 108 | 147.1 | -61 | 170.1 | 179.9 | 174.2 | 0 | 107.1 | P40 | P40-K42 PolarHBondContact O-N 2.96Š|
| 43 | E | 51.9 | Low | 48.2 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -122.4 | 110.5 | 160.3 | -72.7 | -169.5 | 117 | 0 | 0 | 106.5 | R41 G45 | R41-E43 HydrophobicContact CB-CG 4.48Å; R41-E43 PolarHBondContact O-N 2.95Å; R41-E43 VanDerWaalsContact O-N 3.14Å; E43-G45 PolarHBondContact O-N 3.45Å |
| 44 | D | 48.5 | Very low | 46.9 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | trans | -31.9 | 122 | 166.4 | -73 | -106.9 | 0 | 0 | 0 | 110.7 | T46 | D44-T46 PolarHBondContact O-N 3.18Å; D44-T46 PolarHBondContact O-OG1 2.95Å |
| 45 | G | 45.7 | Very low | 46.6 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -60.5 | 80.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | E43 L47 | E43-G45 PolarHBondContact O-N 3.45Å; G45-L47 VanDerWaalsContact C-N 3.34Å; G45-L47 PolarHBondContact O-N 3.09Å |
| 46 | T | 43.9 | Very low | 46 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | trans | -77 | 89.7 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 107 | D44 T48 | D44-T46 PolarHBondContact O-N 3.18Å; D44-T46 PolarHBondContact O-OG1 2.95Å; T46-T48 VanDerWaalsContact C-N 3.29Å; T46-T48 HydrophobicContact CG2-CG2 3.85Å; T46-T48 PolarHBondContact O-N 3.06Å |
| 47 | L | 49 | Very low | 45.8 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -69.8 | 89.1 | 165.3 | -62.1 | 177.5 | 0 | 0 | 0 | 107.9 | G45 L49 | G45-L47 VanDerWaalsContact C-N 3.34Å; G45-L47 PolarHBondContact O-N 3.09Å; L47-L49 PolarHBondContact O-N 3.27Å |
| 48 | T | 45.9 | Very low | 45.9 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -73.5 | 93.5 | 169.1 | 39.1 | 0 | 0 | 0 | 0 | 109.1 | T46 V50 | T46-T48 VanDerWaalsContact C-N 3.29Å; T46-T48 HydrophobicContact CG2-CG2 3.85Å; T46-T48 PolarHBondContact O-N 3.06Å; T48-V50 PolarHBondContact O-N 3.11Å |
| 49 | L | 49.1 | Very low | 45.7 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | | | trans | -76.6 | 97 | 167 | -67.5 | 164.4 | 0 | 0 | 0 | 108.1 | L47 | L47-L49 PolarHBondContact O-N 3.27Š|
| 50 | V | 41.8 | Very low | 45.4 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -101.4 | 120.5 | 169.9 | -157.5 | 0 | 0 | 0 | 0 | 107.7 | T48 | T48-V50 PolarHBondContact O-N 3.11Š|
| 51 | N | 44.8 | Very low | 45.9 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 92.4 | 80.4 | 170.1 | -145.5 | 69.1 | 0 | 0 | 0 | 118.1 | | |
| 52 | G | 39.5 | Very low | 45.6 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | S | Bend | | 122.1 | -23.6 | 120.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 53 | E | 43.1 | Very low | 45.9 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -140.5 | 101.2 | -177.3 | -127.2 | 157.5 | 98.7 | 0 | 0 | 110.8 | V55 | E53-V55 PolarHBondContact O-N 2.9Å; E53-V55 VanDerWaalsContact O-N 3.09Å |
| 54 | Q | 37.3 | Very low | 46.2 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | | | trans | -72.7 | 96.4 | 174.8 | -69.8 | -177.6 | 74.8 | 0 | 0 | 109 | | |
| 55 | V | 45 | Very low | 46.3 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | | | trans | -105.7 | 90.1 | 160.6 | -174 | 0 | 0 | 0 | 0 | 107.7 | E53 T57 | E53-V55 PolarHBondContact O-N 2.9Å; E53-V55 VanDerWaalsContact O-N 3.09Å; V55-T57 VanDerWaalsContact C-N 3.32Å; V55-T57 HydrophobicContact CG1-CG2 3.63Å; V55-T57 PolarHBondContact O-N 3Å |
| 56 | Q | 41.5 | Very low | 47.1 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | -68.5 | 91.3 | 162.4 | -105.4 | 174.4 | 35.4 | 0 | 0 | 107.8 | | |
| 57 | T | 47.4 | Very low | 48.3 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | -107.1 | 74.1 | 158.5 | 57.6 | 0 | 0 | 0 | 0 | 108.1 | V55 V59 | V55-T57 VanDerWaalsContact C-N 3.32Å; V55-T57 HydrophobicContact CG1-CG2 3.63Å; V55-T57 PolarHBondContact O-N 3Å; T57-V59 PolarHBondContact O-N 2.95Å |
| 58 | V | 49.4 | Very low | 49 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | trans | -74.4 | 77.2 | 154.3 | -175.1 | 0 | 0 | 0 | 0 | 105.5 | E60 | V58-E60 HydrophobicContact CG1-CG 4.08Å; V58-E60 PolarHBondContact O-N 3.26Å |
| 59 | V | 47.8 | Very low | 50.1 | Low | 106 Ų | 106 | 135 Ų | 135 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | | | trans | -84.2 | 98.4 | 156.7 | -169.7 | 0 | 0 | 0 | 0 | 103.6 | T57 V61 | T57-V59 PolarHBondContact O-N 2.95Å; V59-V61 HydrophobicContact CB-CG2 4.03Å; V59-V61 HydrophobicContact CG1-CG2 3.41Å; V59-V61 VanDerWaalsContact CG1-CG2 3.41Å; V59-V61 PolarHBondContact O-N 3.46Å |
| 60 | E | 41.2 | Very low | 51.4 | Low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | trans | -60.6 | 81 | 157.4 | -73.4 | -170.2 | 124 | 0 | 0 | 106.8 | V58 E62 | V58-E60 HydrophobicContact CG1-CG 4.08Å; V58-E60 PolarHBondContact O-N 3.26Å; E60-E62 PolarHBondContact O-N 3.36Å |
| 61 | V | 54.9 | Low | 52.6 | Low | 88 Ų | 88 | 134.2 Ų | 134.2 | 53% | 0.533 | 75% | 0.753 | S | S | . | * | | | trans | -75 | 106.5 | 162.1 | -170.6 | 0 | 0 | 0 | 0 | 103.3 | V59 H63 | V59-V61 HydrophobicContact CB-CG2 4.03Å; V59-V61 HydrophobicContact CG1-CG2 3.41Å; V59-V61 VanDerWaalsContact CG1-CG2 3.41Å; V59-V61 PolarHBondContact O-N 3.46Å; V61-H63 VanDerWaalsContact CB-CD2 3.47Å; V61-H63 WeakPolarHBondContact CB-CD2 3.47Å; V61-H63 WeakPolarHBondContact CG1-CD2 3.37Å; V61-H63 PolarHBondContact O-CD2 3.17Å; V61-H63 PolarHBondContact O-N 3.11Å |
| 62 | E | 44.6 | Very low | 53.9 | Low | 159 Ų | 159 | 130.2 Ų | 130.2 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | -59 | 88.2 | 165 | -173.7 | -173.3 | 102.8 | 0 | 0 | 106.9 | E60 K64 | E60-E62 PolarHBondContact O-N 3.36Å; E62-K64 PolarHBondContact O-N 2.76Å |
| 63 | H | 52.6 | Low | 55.4 | Low | 154 Ų | 154 | 131.2 Ų | 131.2 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | trans | -69.8 | 89.9 | 169.6 | -71.4 | -156.5 | 0 | 0 | 0 | 104.7 | V61 S65 | V61-H63 VanDerWaalsContact CB-CD2 3.47Å; V61-H63 WeakPolarHBondContact CB-CD2 3.47Å; V61-H63 WeakPolarHBondContact CG1-CD2 3.37Å; V61-H63 PolarHBondContact O-CD2 3.17Å; V61-H63 PolarHBondContact O-N 3.11Å; H63-S65 PolarHBondContact O-N 3.41Å |
| 64 | K | 56.9 | Low | 56.9 | Low | 158 Ų | 158 | 130.6 Ų | 130.6 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | | | trans | -51.5 | 103.5 | 154.6 | -81.4 | -177.7 | 174.9 | -177.6 | 0 | 105.2 | E62 L66 | E62-K64 PolarHBondContact O-N 2.76Å; K64-L66 HydrophobicContact CB-CD1 4.08Å; K64-L66 PolarHBondContact O-N 3.21Å |
| 65 | S | 51.2 | Low | 58.7 | Low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -63.5 | 80 | 176.6 | 168.5 | 0 | 0 | 0 | 0 | 107.8 | H63 A67 | H63-S65 PolarHBondContact O-N 3.41Å; S65-A67 PolarHBondContact O-N 2.74Å |
| 66 | L | 62.7 | Low | 60.3 | Low | 148 Ų | 148 | 134.2 Ų | 134.2 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 116.1 | 165 | -100.7 | 78.6 | 0 | 0 | 0 | 105.9 | K64 | K64-L66 HydrophobicContact CB-CD1 4.08Å; K64-L66 PolarHBondContact O-N 3.21Å |
| 67 | A | 69.2 | Low | 62.2 | Low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 137.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S65 | S65-A67 PolarHBondContact O-N 2.74Š|
| 68 | P | 63.2 | Low | 63.8 | Low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 140.4 | 176.3 | 23.2 | -31.8 | 0 | 0 | 0 | 109.1 | K70 | P68-K70 PolarHBondContact O-N 3.14Š|
| 69 | P | 69.6 | Low | 65.2 | Low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 137.2 | 177.8 | 24.7 | -32.4 | 0 | 0 | 0 | 108.9 | A71 | P69-A71 PolarHBondContact O-N 2.84Š|
| 70 | K | 75.3 | Confident | 66.8 | Low | 171 Ų | 171 | 135.7 Ų | 135.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.9 | 177.6 | -72 | 175.4 | 179.4 | 172.5 | 0 | 108.8 | P68 G72 T73 | P68-K70 PolarHBondContact O-N 3.14Å; K70-G72 PolarHBondContact O-N 2.78Å; K70-T73 PolarHBondContact O-N 2.69Å; K70-T73 VanDerWaalsContact O-N 3.11Å; K70-T73 PolarHBondContact O-OG1 3.31Å |
| 71 | A | 68.3 | Low | 68.3 | Low | 112 Ų | 112 | 132.8 Ų | 132.8 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 124.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | P69 | P69-A71 PolarHBondContact O-N 2.84Š|
| 72 | G | 70.4 | Confident | 69.2 | Low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99 | -1.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | K70 L74 | K70-G72 PolarHBondContact O-N 2.78Å; G72-L74 PolarHBondContact O-N 3.31Å |
| 73 | T | 71.8 | Confident | 70.4 | Confident | 96 Ų | 96 | 141.2 Ų | 141.2 | 59% | 0.589 | 77% | 0.773 | S | S | * | * | | | trans | -82.7 | 101 | 168.7 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | K70 | K70-T73 PolarHBondContact O-N 2.69Å; K70-T73 VanDerWaalsContact O-N 3.11Å; K70-T73 PolarHBondContact O-OG1 3.31Å |
| 74 | L | 73.8 | Confident | 71.4 | Confident | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -101.8 | 116.1 | 168 | -70.5 | 171.9 | 0 | 0 | 0 | 108.6 | G72 | G72-L74 PolarHBondContact O-N 3.31Š|
| 75 | E | 75.7 | Confident | 72.1 | Confident | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | trans | -92.6 | 125.9 | 164.8 | -78.1 | -165.9 | 125.1 | 0 | 0 | 109.6 | V77 | E75-V77 PolarHBondContact O-N 3.38Š|
| 76 | M | 78.5 | Confident | 73.2 | Confident | 191 Ų | 191 | 137.7 Ų | 137.7 | 94% | 0.941 | 75% | 0.75 | S | S | * | * | | | trans | -82.1 | 108.2 | 170.1 | -68.8 | -166.4 | -71.1 | 0 | 0 | 108.8 | | |
| 77 | V | 81.8 | Confident | 73.6 | Confident | 119 Ų | 119 | 138.7 Ų | 138.7 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | trans | -85.3 | 118.9 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | E75 V79 | E75-V77 PolarHBondContact O-N 3.38Å; V77-V79 HydrophobicContact CG1-CG2 4.4Å; V77-V79 PolarHBondContact O-N 3.28Å |
| 78 | H | 81.7 | Confident | 73.8 | Confident | 153 Ų | 153 | 138.9 Ų | 138.9 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | | | trans | -75.8 | 108.7 | 169.8 | -176.1 | 79 | 0 | 0 | 0 | 109.4 | | |
| 79 | V | 78.8 | Confident | 74 | Confident | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | | | trans | -90.5 | 109.1 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | V77 | V77-V79 HydrophobicContact CG1-CG2 4.4Å; V77-V79 PolarHBondContact O-N 3.28Å |
| 80 | E | 79.9 | Confident | 73.8 | Confident | 145 Ų | 145 | 135.9 Ų | 135.9 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | trans | -63.3 | 132.9 | 173.8 | -72.9 | -137 | 130.3 | 0 | 0 | 110.5 | R82 | E80-R82 PolarHBondContact O-N 3.06Š|
| 81 | P | 74 | Confident | 73.6 | Confident | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | | | trans | -65.2 | 103.1 | 179.3 | 25.7 | -32 | 0 | 0 | 0 | 109.6 | K83 | P81-K83 PolarHBondContact O-N 3.38Š|
| 82 | R | 73.2 | Confident | 72.7 | Confident | 206 Ų | 206 | 140.1 Ų | 140.1 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | | | trans | -73.1 | 123.2 | 169.3 | -70 | -89 | 178.5 | 149.4 | -0.3 | 107.6 | E80 K84 | E80-R82 PolarHBondContact O-N 3.06Å; R82-K84 PolarHBondContact O-N 3.44Å |
| 83 | K | 70.9 | Confident | 72.9 | Confident | 218 Ų | 218 | 143.2 Ų | 143.2 | 95% | 0.948 | 74% | 0.735 | S | S | * | * | | | trans | -63.9 | 23.3 | 172.8 | -71.4 | -177.6 | 175.5 | 177.3 | 0 | 114.5 | P81 | P81-K83 PolarHBondContact O-N 3.38Š|
| 84 | K | 72.7 | Confident | 72.9 | Confident | 170 Ų | 170 | 145.6 Ų | 145.6 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 124.3 | 177.2 | -65 | -160.5 | 176.9 | -172.2 | 0 | 108.2 | R82 C86 | R82-K84 PolarHBondContact O-N 3.44Å; K84-C86 PolarHBondContact O-N 2.05Å |
| 85 | H | 72.4 | Confident | 72.9 | Confident | 120 Ų | 120 | 144.6 Ų | 144.6 | 56% | 0.556 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 129.2 | 171.7 | 152.2 | -86.1 | 0 | 0 | 0 | 109.6 | F87 S90 | H85-F87 PolarHBondContact O-N 3.35Å; H85-S90 PolarHBondContact CE1-OG 2.89Å; H85-S90 VanDerWaalsContact CE1-OG 3.22Å; H85-S90 PolarHBondContact NE2-OG 3.44Å |
| 86 | C | 73.9 | Confident | 72.7 | Confident | 64 Ų | 64 | 142.6 Ų | 142.6 | 43% | 0.432 | 73% | 0.731 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 123.7 | 171.8 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | K84 C88 C89 | K84-C86 PolarHBondContact O-N 2.05Å; C86-C88 HydrophobicContact CB-CB 4.49Å; C86-C88 WeakPolarHBondContact CB-SG 3.16Å; C86-C88 PolarHBondContact O-N 2.79Å; C86-C88 VanDerWaalsContact O-N 3.09Å; C86-C88 WeakPolarHBondContact SG-CB 3.17Å; C86-C88 PolarHBondContact SG-N 3.22Å; C86-C88 CovalentContact SG-SG 2.05Å; C86-C88 PolarHBondContact SG-SG 3.46Å; C86-C89 PolarHBondContact O-N 3.35Å |
| 87 | F | 71.4 | Confident | 72.3 | Confident | 169 Ų | 169 | 139.6 Ų | 139.6 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -59.4 | -22.3 | 174.9 | -152.8 | -96.1 | 0 | 0 | 0 | 112.8 | H85 C89 S90 | H85-F87 PolarHBondContact O-N 3.35Å; F87-C89 VanDerWaalsContact C-N 3.29Å; F87-C89 PolarHBondContact O-N 2.78Å; F87-S90 PolarHBondContact O-N 3.09Å |
| 88 | C | 73.6 | Confident | 71.7 | Confident | 87 Ų | 87 | 141 Ų | 141 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -64.1 | -27.2 | 175.4 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | C86 | C86-C88 HydrophobicContact CB-CB 4.49Å; C86-C88 WeakPolarHBondContact CB-SG 3.16Å; C86-C88 PolarHBondContact O-N 2.79Å; C86-C88 VanDerWaalsContact O-N 3.09Å; C86-C88 WeakPolarHBondContact SG-CB 3.17Å; C86-C88 PolarHBondContact SG-N 3.22Å; C86-C88 CovalentContact SG-SG 2.05Å; C86-C88 PolarHBondContact SG-SG 3.46Å |
| 89 | C | 66.8 | Low | 71 | Confident | 95 Ų | 95 | 140.1 Ų | 140.1 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -90 | -0.5 | -176.6 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | C86 F87 | C86-C89 PolarHBondContact O-N 3.35Å; F87-C89 VanDerWaalsContact C-N 3.29Å; F87-C89 PolarHBondContact O-N 2.78Å |
| 90 | S | 65.5 | Low | 70.4 | Confident | 78 Ų | 78 | 141.8 Ų | 141.8 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -93 | 0.8 | 179.7 | -89.7 | 0 | 0 | 0 | 0 | 114.5 | H85 F87 | H85-S90 PolarHBondContact CE1-OG 2.89Å; H85-S90 VanDerWaalsContact CE1-OG 3.22Å; H85-S90 PolarHBondContact NE2-OG 3.44Å; F87-S90 PolarHBondContact O-N 3.09Å |
| 91 | V | 69.5 | Low | 69.6 | Low | 122 Ų | 122 | 141.6 Ų | 141.6 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | | | trans | -118.4 | 34.4 | -172.7 | -164.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 92 | Q | 51.1 | Low | 69.2 | Low | 250 Ų | 250 | 143.5 Ų | 143.5 | 100% | 1.168 | 72% | 0.716 | S | S | * | * | | | trans | -112.8 | 0 | 172.3 | -77.5 | -171.7 | -20 | 0 | 0 | 111.7 | | |