| 1 | M | 39.2 | Very low | 51.9 | Low | 247 Ų | 247 | 136.8 Ų | 136.8 | 100% | 1.217 | 75% | 0.754 | S | S | * | * | | | | 0 | 95.6 | 0 | -76.1 | 159.8 | 141.8 | 0 | 0 | 107.9 | | |
| 2 | S | 42.4 | Very low | 52.4 | Low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | | | trans | -94.2 | 115 | -180 | -71.9 | 0 | 0 | 0 | 0 | 110 | R4 | S2-R4 PolarHBondContact O-N 2.95Š|
| 3 | A | 55.1 | Low | 53.2 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | | | trans | -64.7 | 111.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | T5 | A3-T5 PolarHBondContact O-N 3.48Å; A3-T5 VanDerWaalsContact O-N 3.15Å |
| 4 | R | 52.2 | Low | 53.6 | Low | 247 Ų | 247 | 130.3 Ų | 130.3 | 93% | 0.932 | 75% | 0.751 | S | S | * | * | | | trans | -67.2 | 107.9 | 168.5 | -107 | 176.9 | -176.9 | -152.5 | 0.2 | 107.8 | S2 A6 | S2-R4 PolarHBondContact O-N 2.95Å; R4-A6 VanDerWaalsContact C-N 3.32Å; R4-A6 PolarHBondContact O-N 3.05Å |
| 5 | T | 54.7 | Low | 53.8 | Low | 140 Ų | 140 | 128.5 Ų | 128.5 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | | | trans | -59.4 | 92.4 | 170.2 | -38 | 0 | 0 | 0 | 0 | 109.2 | A3 | A3-T5 PolarHBondContact O-N 3.48Å; A3-T5 VanDerWaalsContact O-N 3.15Å |
| 6 | A | 59.9 | Low | 54.3 | Low | 52 Ų | 52 | 128 Ų | 128 | 43% | 0.43 | 72% | 0.719 | S | S | . | * | | | trans | -74.3 | 129.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | R4 F8 | R4-A6 VanDerWaalsContact C-N 3.32Å; R4-A6 PolarHBondContact O-N 3.05Å; A6-F8 HydrophobicContact CB-CE2 4.49Å; A6-F8 WeakPolarHBondContact CB-O 3.46Å; A6-F8 PolarHBondContact O-N 2.94Å; A6-F8 VanDerWaalsContact O-N 3.11Å |
| 7 | P | 62.9 | Low | 54.5 | Low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -67.3 | -9.7 | 178.3 | 25.6 | -30.3 | 0 | 0 | 0 | 112.7 | | |
| 8 | F | 54.9 | Low | 54.6 | Low | 114 Ų | 114 | 128.4 Ų | 128.4 | 50% | 0.5 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -121.1 | 117.5 | 173.6 | 45.9 | -87.9 | 0 | 0 | 0 | 108.1 | A6 W10 | A6-F8 HydrophobicContact CB-CE2 4.49Å; A6-F8 WeakPolarHBondContact CB-O 3.46Å; A6-F8 PolarHBondContact O-N 2.94Å; A6-F8 VanDerWaalsContact O-N 3.11Å; F8-W10 PolarHBondContact O-N 2.94Å; F8-W10 VanDerWaalsContact O-N 3.09Å |
| 9 | S | 55.2 | Low | 54.7 | Low | 67 Ų | 67 | 124.1 Ų | 124.1 | 47% | 0.469 | 69% | 0.69 | S | S | . | * | | | trans | -76.9 | 98.6 | 175.2 | -173 | 0 | 0 | 0 | 0 | 108 | S11 | S9-S11 PolarHBondContact O-N 2.86Š|
| 10 | W | 47.2 | Very low | 54.7 | Low | 198 Ų | 198 | 124.1 Ų | 124.1 | 75% | 0.75 | 68% | 0.684 | S | S | * | * | | | trans | -80.2 | 93.5 | 173.8 | -170 | -62.7 | 0 | 0 | 0 | 108.7 | F8 | F8-W10 PolarHBondContact O-N 2.94Å; F8-W10 VanDerWaalsContact O-N 3.09Å |
| 11 | S | 47.4 | Very low | 54.6 | Low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | | | trans | -105 | 109.9 | 167.7 | -116.2 | 0 | 0 | 0 | 0 | 108.6 | S9 G13 | S9-S11 PolarHBondContact O-N 2.86Å; S11-G13 PolarHBondContact O-N 3.46Å |
| 12 | G | 58.3 | Low | 55.4 | Low | 81 Ų | 81 | 117.1 Ų | 117.1 | 84% | 0.835 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.7 | 31.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | K14 | G12-K14 VanDerWaalsContact C-N 3.29Å; G12-K14 PolarHBondContact O-N 3.12Å |
| 13 | G | 62.7 | Low | 56 | Low | 58 Ų | 58 | 117 Ų | 117 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.9 | 7.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S11 | S11-G13 PolarHBondContact O-N 3.46Š|
| 14 | K | 58 | Low | 56 | Low | 180 Ų | 180 | 116.6 Ų | 116.6 | 78% | 0.783 | 64% | 0.635 | S | S | * | * | | | trans | -118.7 | 118.6 | 166.5 | -81.3 | 177.8 | -180 | 174.8 | 0 | 109.8 | G12 R16 | G12-K14 VanDerWaalsContact C-N 3.29Å; G12-K14 PolarHBondContact O-N 3.12Å; K14-R16 PolarHBondContact O-N 3.21Å |
| 15 | L | 57.3 | Low | 56.3 | Low | 104 Ų | 104 | 108.2 Ų | 108.2 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | | | trans | -56.4 | 135 | 167.7 | -70.8 | 166.9 | 0 | 0 | 0 | 108.1 | L23 | L15-L23 HydrophobicContact CD1-CD1 3.9Š|
| 16 | R | 60.7 | Low | 56.4 | Low | 120 Ų | 120 | 104.3 Ų | 104.3 | 45% | 0.453 | 60% | 0.602 | S | S | . | * | | | trans | -62.9 | 148.2 | 179 | -63.1 | 177.9 | -62.4 | -172.8 | 1.6 | 108.6 | K14 K18 D19 Q20 | K14-R16 PolarHBondContact O-N 3.21Å; R16-K18 PolarHBondContact O-N 3.29Å; R16-D19 IonicContact CZ-OD2 3.97Å; R16-D19 IonicContact NE-OD2 3.34Å; R16-D19 PolarHBondContact NE-OD2 2.98Å; R16-D19 IonicContact NH2-OD2 3.64Å; R16-D19 WeakPolarHBondContact O-CA 3.36Å; R16-D19 WeakPolarHBondContact O-CB 3.31Å; R16-D19 PolarHBondContact O-N 3.19Å; R16-Q20 PolarHBondContact O-N 2.82Å; R16-Q20 VanDerWaalsContact O-N 3.14Å |
| 17 | P | 58.4 | Low | 56.4 | Low | 97 Ų | 97 | 109.1 Ų | 109.1 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -52 | -34.2 | -179.1 | -28.3 | 34.7 | 0 | 0 | 0 | 113.8 | D19 Q20 E21 | P17-D19 VanDerWaalsContact C-N 3.28Å; P17-D19 PolarHBondContact O-N 2.86Å; P17-Q20 WeakPolarHBondContact O-CA 3.43Å; P17-Q20 WeakPolarHBondContact O-CB 3.31Å; P17-Q20 PolarHBondContact O-N 3.04Å; P17-E21 PolarHBondContact O-N 3.44Å |
| 18 | K | 56.7 | Low | 56.5 | Low | 167 Ų | 167 | 107.2 Ų | 107.2 | 73% | 0.726 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.3 | -31.7 | 175.4 | -168.6 | 168.1 | -177 | 171.4 | 0 | 113.8 | R16 T22 | R16-K18 PolarHBondContact O-N 3.29Å; K18-T22 PolarHBondContact O-OG1 2.9Å |
| 19 | D | 55.9 | Low | 57.2 | Low | 45 Ų | 45 | 105 Ų | 105 | 24% | 0.241 | 60% | 0.6 | C | S | . | * | H | α-helix | trans | -83.7 | -23.7 | 175.5 | -56.3 | -45.8 | 0 | 0 | 0 | 110.8 | R16 P17 L23 | R16-D19 IonicContact CZ-OD2 3.97Å; R16-D19 IonicContact NE-OD2 3.34Å; R16-D19 PolarHBondContact NE-OD2 2.98Å; R16-D19 IonicContact NH2-OD2 3.64Å; R16-D19 WeakPolarHBondContact O-CA 3.36Å; R16-D19 WeakPolarHBondContact O-CB 3.31Å; R16-D19 PolarHBondContact O-N 3.19Å; P17-D19 VanDerWaalsContact C-N 3.28Å; P17-D19 PolarHBondContact O-N 2.86Å; D19-L23 WeakPolarHBondContact O-CG 3.25Å; D19-L23 PolarHBondContact O-N 3.12Å |
| 20 | Q | 54.5 | Low | 57.7 | Low | 124 Ų | 124 | 111.1 Ų | 111.1 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.3 | -39 | 177.2 | -157.5 | -175.3 | 8 | 0 | 0 | 112.4 | R16 P17 T22 L23 A24 | R16-Q20 PolarHBondContact O-N 2.82Å; R16-Q20 VanDerWaalsContact O-N 3.14Å; P17-Q20 WeakPolarHBondContact O-CA 3.43Å; P17-Q20 WeakPolarHBondContact O-CB 3.31Å; P17-Q20 PolarHBondContact O-N 3.04Å; Q20-T22 PolarHBondContact O-N 3.16Å; Q20-L23 PolarHBondContact O-N 2.85Å; Q20-L23 VanDerWaalsContact O-N 3.14Å; Q20-A24 WeakPolarHBondContact O-CB 3.39Å; Q20-A24 PolarHBondContact O-N 3.42Å |
| 21 | E | 53.1 | Low | 58.9 | Low | 143 Ų | 143 | 108.9 Ų | 108.9 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.8 | -35.4 | 172 | -88.3 | -174.3 | 97.4 | 0 | 0 | 111.8 | P17 L23 A24 S25 | P17-E21 PolarHBondContact O-N 3.44Å; E21-L23 VanDerWaalsContact C-N 3.29Å; E21-L23 PolarHBondContact O-N 3.32Å; E21-A24 PolarHBondContact O-N 2.87Å; E21-S25 WeakPolarHBondContact O-CB 3.24Å; E21-S25 PolarHBondContact O-N 2.69Å; E21-S25 PolarHBondContact O-OG 3.46Å |
| 22 | T | 55.7 | Low | 60.3 | Low | 82 Ų | 82 | 106.2 Ų | 106.2 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.7 | -33.5 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | K18 Q20 S25 | K18-T22 PolarHBondContact O-OG1 2.9Å; Q20-T22 PolarHBondContact O-N 3.16Å; T22-S25 PolarHBondContact O-OG 3.44Å |
| 23 | L | 54.9 | Low | 61.3 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -80.8 | -35.3 | 176.6 | -66.1 | 171.1 | 0 | 0 | 0 | 112.4 | L15 D19 Q20 E21 | L15-L23 HydrophobicContact CD1-CD1 3.9Å; D19-L23 WeakPolarHBondContact O-CG 3.25Å; D19-L23 PolarHBondContact O-N 3.12Å; Q20-L23 PolarHBondContact O-N 2.85Å; Q20-L23 VanDerWaalsContact O-N 3.14Å; E21-L23 VanDerWaalsContact C-N 3.29Å; E21-L23 PolarHBondContact O-N 3.32Å |
| 24 | A | 54.9 | Low | 62.2 | Low | 86 Ų | 86 | 108.5 Ų | 108.5 | 71% | 0.711 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -83 | -26.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q20 E21 G26 | Q20-A24 WeakPolarHBondContact O-CB 3.39Å; Q20-A24 PolarHBondContact O-N 3.42Å; E21-A24 PolarHBondContact O-N 2.87Å; A24-G26 PolarHBondContact O-N 2.79Å |
| 25 | S | 58.1 | Low | 63.2 | Low | 72 Ų | 72 | 107.4 Ų | 107.4 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | -0.3 | 178.1 | 56.5 | 0 | 0 | 0 | 0 | 114 | E21 T22 H27 | E21-S25 WeakPolarHBondContact O-CB 3.24Å; E21-S25 PolarHBondContact O-N 2.69Å; E21-S25 PolarHBondContact O-OG 3.46Å; T22-S25 PolarHBondContact O-OG 3.44Å; S25-H27 PolarHBondContact O-N 3.45Å |
| 26 | G | 57 | Low | 64.4 | Low | 58 Ų | 58 | 107.2 Ų | 107.2 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | | | trans | 63.7 | 5.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A24 T28 | A24-G26 PolarHBondContact O-N 2.79Å; G26-T28 PolarHBondContact O-N 3.37Å |
| 27 | H | 59.8 | Low | 65.2 | Low | 152 Ų | 152 | 104.2 Ų | 104.2 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | | | trans | -79.4 | 62.7 | -179 | -129.1 | -101.2 | 0 | 0 | 0 | 109.6 | S25 S29 | S25-H27 PolarHBondContact O-N 3.45Å; H27-S29 PolarHBondContact O-N 2.87Å |
| 28 | T | 65.6 | Low | 66.1 | Low | 82 Ų | 82 | 102 Ų | 102 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | | | trans | -65.6 | 108.6 | 174.2 | -54.2 | 0 | 0 | 0 | 0 | 107.2 | G26 W30 A32 L33 | G26-T28 PolarHBondContact O-N 3.37Å; T28-W30 PolarHBondContact O-N 3.43Å; T28-A32 HydrophobicContact CG2-CB 3.77Å; T28-L33 HydrophobicContact CG2-CD2 3.7Å; T28-L33 HydrophobicContact CG2-CG 3.86Å |
| 29 | S | 69.6 | Low | 67.1 | Low | 69 Ų | 69 | 96.1 Ų | 96.1 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | | | trans | -51.3 | 138 | 177 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | H27 K31 A32 L33 | H27-S29 PolarHBondContact O-N 2.87Å; S29-K31 CarbonylContact O-C 3.59Å; S29-K31 PolarHBondContact O-N 3.18Å; S29-A32 WeakPolarHBondContact O-CA 3.32Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 3.33Å; S29-L33 PolarHBondContact O-N 3.04Å |
| 30 | W | 66.1 | Low | 68.1 | Low | 194 Ų | 194 | 102.2 Ų | 102.2 | 74% | 0.735 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -47.1 | -35.4 | 174.5 | -178.1 | -94.4 | 0 | 0 | 0 | 112.4 | T28 L33 L34 | T28-W30 PolarHBondContact O-N 3.43Å; W30-L33 PolarHBondContact O-N 3.47Å; W30-L34 WeakPolarHBondContact O-CG 3.38Å; W30-L34 PolarHBondContact O-N 3.5Å; W30-L34 VanDerWaalsContact O-N 3.08Å |
| 31 | K | 72.6 | Confident | 69 | Low | 151 Ų | 151 | 99.1 Ų | 99.1 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.5 | -45.6 | 173 | -76 | 178.9 | 163.3 | 173.5 | 0 | 112.6 | S29 L33 L34 F35 | S29-K31 CarbonylContact O-C 3.59Å; S29-K31 PolarHBondContact O-N 3.18Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 2.88Å; K31-L34 PolarHBondContact O-N 3Å; K31-F35 WeakPolarHBondContact O-CD2 3.24Å; K31-F35 PolarHBondContact O-N 3.49Å |
| 32 | A | 77.1 | Confident | 69.8 | Low | 40 Ų | 40 | 102.3 Ų | 102.3 | 33% | 0.331 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -38.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | T28 S29 L34 F35 V36 | T28-A32 HydrophobicContact CG2-CB 3.77Å; S29-A32 WeakPolarHBondContact O-CA 3.32Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 3.33Å; A32-L34 PolarHBondContact O-N 3.27Å; A32-F35 PolarHBondContact O-N 3.27Å; A32-V36 WeakPolarHBondContact O-CG2 3.34Å; A32-V36 PolarHBondContact O-N 3.15Å |
| 33 | L | 78.4 | Confident | 70.2 | Confident | 92 Ų | 92 | 108.2 Ų | 108.2 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.7 | -42.9 | 173.6 | -65 | 176.1 | 0 | 0 | 0 | 111.9 | T28 S29 W30 K31 F35 V36 A37 | T28-L33 HydrophobicContact CG2-CD2 3.7Å; T28-L33 HydrophobicContact CG2-CG 3.86Å; S29-L33 PolarHBondContact O-N 3.04Å; W30-L33 PolarHBondContact O-N 3.47Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 2.88Å; L33-F35 PolarHBondContact O-N 3.08Å; L33-V36 PolarHBondContact O-N 3.25Å; L33-A37 WeakPolarHBondContact O-CB 3.11Å; L33-A37 PolarHBondContact O-N 3.23Å |
| 34 | L | 81.4 | Confident | 70.7 | Confident | 96 Ų | 96 | 107.7 Ų | 107.7 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.2 | -40.5 | 175.3 | -69.8 | 173.6 | 0 | 0 | 0 | 112.4 | W30 K31 A32 A37 A38 | W30-L34 WeakPolarHBondContact O-CG 3.38Å; W30-L34 PolarHBondContact O-N 3.5Å; W30-L34 VanDerWaalsContact O-N 3.08Å; K31-L34 PolarHBondContact O-N 3Å; A32-L34 PolarHBondContact O-N 3.27Å; L34-A37 PolarHBondContact O-N 3.46Å; L34-A38 VanDerWaalsContact O-CB 3.31Å; L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.21Å |
| 35 | F | 79.8 | Confident | 70.8 | Confident | 157 Ų | 157 | 105.3 Ų | 105.3 | 69% | 0.689 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 175.9 | -82.8 | -71.4 | 0 | 0 | 0 | 112.3 | K31 A32 L33 A38 A39 | K31-F35 WeakPolarHBondContact O-CD2 3.24Å; K31-F35 PolarHBondContact O-N 3.49Å; A32-F35 PolarHBondContact O-N 3.27Å; L33-F35 PolarHBondContact O-N 3.08Å; F35-A38 PolarHBondContact O-N 2.86Å; F35-A39 VanDerWaalsContact O-CB 3.24Å; F35-A39 WeakPolarHBondContact O-CB 3.35Å; F35-A39 PolarHBondContact O-N 3.35Å |
| 36 | V | 81.4 | Confident | 70.5 | Confident | 99 Ų | 99 | 104.6 Ų | 104.6 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -42.9 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | A32 L33 A39 R40 | A32-V36 WeakPolarHBondContact O-CG2 3.34Å; A32-V36 PolarHBondContact O-N 3.15Å; L33-V36 PolarHBondContact O-N 3.25Å; V36-A39 PolarHBondContact O-N 2.76Å; V36-R40 VanDerWaalsContact O-CB 3.25Å; V36-R40 WeakPolarHBondContact O-CB 3.41Å; V36-R40 PolarHBondContact O-N 3.4Å |
| 37 | A | 78.8 | Confident | 70.2 | Confident | 57 Ų | 57 | 106.1 Ų | 106.1 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L33 L34 R40 A41 | L33-A37 WeakPolarHBondContact O-CB 3.11Å; L33-A37 PolarHBondContact O-N 3.23Å; L34-A37 PolarHBondContact O-N 3.46Å; A37-R40 PolarHBondContact O-N 3Å; A37-A41 VanDerWaalsContact O-CB 3.32Å; A37-A41 WeakPolarHBondContact O-CB 3.39Å; A37-A41 PolarHBondContact O-N 3.22Å |
| 38 | A | 76.6 | Confident | 69.8 | Low | 51 Ų | 51 | 103 Ų | 103 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L34 F35 R40 A41 R42 | L34-A38 VanDerWaalsContact O-CB 3.31Å; L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.21Å; F35-A38 PolarHBondContact O-N 2.86Å; A38-R40 VanDerWaalsContact C-N 3.33Å; A38-A41 PolarHBondContact O-N 3.09Å; A38-R42 PolarHBondContact O-N 3.11Å |
| 39 | A | 77.5 | Confident | 69 | Low | 44 Ų | 44 | 102.8 Ų | 102.8 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.8 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F35 V36 R42 R43 | F35-A39 VanDerWaalsContact O-CB 3.24Å; F35-A39 WeakPolarHBondContact O-CB 3.35Å; F35-A39 PolarHBondContact O-N 3.35Å; V36-A39 PolarHBondContact O-N 2.76Å; A39-R42 PolarHBondContact O-N 2.84Å; A39-R43 WeakPolarHBondContact O-CG 3.42Å; A39-R43 PolarHBondContact O-N 3.14Å |
| 40 | R | 76.4 | Confident | 68.2 | Low | 172 Ų | 172 | 104.9 Ų | 104.9 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69 | -40.6 | 174.8 | -170.7 | 166 | -172.8 | 166.3 | 0.8 | 111.6 | V36 A37 A38 R42 R43 L44 | V36-R40 VanDerWaalsContact O-CB 3.25Å; V36-R40 WeakPolarHBondContact O-CB 3.41Å; V36-R40 PolarHBondContact O-N 3.4Å; A37-R40 PolarHBondContact O-N 3Å; A38-R40 VanDerWaalsContact C-N 3.33Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.43Å; R40-R43 PolarHBondContact O-N 3.43Å; R40-R43 VanDerWaalsContact O-N 3.16Å; R40-L44 HydrophobicContact CG-CD1 3.77Å; R40-L44 HydrophobicContact CG-CG 4.22Å; R40-L44 WeakPolarHBondContact O-CB 3.42Å; R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.33Å; R40-L44 PolarHBondContact O-N 3.45Å |
| 41 | A | 73.4 | Confident | 67.2 | Low | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.8 | -35 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A37 A38 G45 | A37-A41 VanDerWaalsContact O-CB 3.32Å; A37-A41 WeakPolarHBondContact O-CB 3.39Å; A37-A41 PolarHBondContact O-N 3.22Å; A38-A41 PolarHBondContact O-N 3.09Å; A41-G45 VanDerWaalsContact O-CA 3.24Å; A41-G45 WeakPolarHBondContact O-CA 3.5Å; A41-G45 PolarHBondContact O-N 3.38Å |
| 42 | R | 69.8 | Low | 66.4 | Low | 209 Ų | 209 | 103.3 Ų | 103.3 | 79% | 0.789 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.1 | -36.5 | 171 | -77.2 | -176.5 | 174.1 | 154.3 | -0.6 | 113 | A38 A39 R40 G46 | A38-R42 PolarHBondContact O-N 3.11Å; A39-R42 PolarHBondContact O-N 2.84Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.43Å; R42-G46 VanDerWaalsContact O-CA 3.31Å; R42-G46 WeakPolarHBondContact O-CA 3.41Å; R42-G46 PolarHBondContact O-N 2.97Å |
| 43 | R | 65.2 | Low | 65.1 | Low | 206 Ų | 206 | 106.6 Ų | 106.6 | 78% | 0.777 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.9 | -39.4 | 175.3 | -78.3 | 178.5 | 143.3 | 120.6 | -2.4 | 112.6 | A39 R40 | A39-R43 WeakPolarHBondContact O-CG 3.42Å; A39-R43 PolarHBondContact O-N 3.14Å; R40-R43 PolarHBondContact O-N 3.43Å; R40-R43 VanDerWaalsContact O-N 3.16Å |
| 44 | L | 65.9 | Low | 64 | Low | 114 Ų | 114 | 107.4 Ų | 107.4 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -83.6 | -41.6 | -179.5 | -65.3 | 175.3 | 0 | 0 | 0 | 112.1 | R40 A47 | R40-L44 HydrophobicContact CG-CD1 3.77Å; R40-L44 HydrophobicContact CG-CG 4.22Å; R40-L44 WeakPolarHBondContact O-CB 3.42Å; R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.33Å; R40-L44 PolarHBondContact O-N 3.45Å; L44-A47 PolarHBondContact O-N 2.8Å |
| 45 | G | 56.7 | Low | 62.4 | Low | 37 Ų | 37 | 105.5 Ų | 105.5 | 38% | 0.381 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -75.6 | -22.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A41 A47 A48 A49 | A41-G45 VanDerWaalsContact O-CA 3.24Å; A41-G45 WeakPolarHBondContact O-CA 3.5Å; A41-G45 PolarHBondContact O-N 3.38Å; G45-A47 PolarHBondContact O-N 3.14Å; G45-A48 PolarHBondContact O-N 3.04Å; G45-A49 WeakPolarHBondContact O-CB 3.43Å; G45-A49 PolarHBondContact O-N 2.82Å |
| 46 | G | 51.5 | Low | 61.5 | Low | 56 Ų | 56 | 103.9 Ų | 103.9 | 58% | 0.577 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -16.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R42 | R42-G46 VanDerWaalsContact O-CA 3.31Å; R42-G46 WeakPolarHBondContact O-CA 3.41Å; R42-G46 PolarHBondContact O-N 2.97Å |
| 47 | A | 51.2 | Low | 60.2 | Low | 91 Ų | 91 | 108 Ų | 108 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -5.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | L44 G45 | L44-A47 PolarHBondContact O-N 2.8Å; G45-A47 PolarHBondContact O-N 3.14Å |
| 48 | A | 50.5 | Low | 59.3 | Low | 85 Ų | 85 | 110 Ų | 110 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -120.9 | 9.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G45 | G45-A48 PolarHBondContact O-N 3.04Š|
| 49 | A | 50.2 | Low | 58.3 | Low | 79 Ų | 79 | 112 Ų | 112 | 65% | 0.653 | 70% | 0.704 | S | S | * | * | | | trans | -112.6 | 37.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G45 | G45-A49 WeakPolarHBondContact O-CB 3.43Å; G45-A49 PolarHBondContact O-N 2.82Å |
| 50 | S | 52.2 | Low | 57.3 | Low | 112 Ų | 112 | 115 Ų | 115 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | | | trans | -105 | 73.7 | 157.3 | -71.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 51 | E | 44 | Very low | 56.4 | Low | 182 Ų | 182 | 112.8 Ų | 112.8 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | | | trans | -131.1 | 108.1 | 142.7 | -73.9 | -163.1 | 134.6 | 0 | 0 | 107.2 | | |
| 52 | P | 56.2 | Low | 55.7 | Low | 130 Ų | 130 | 119.2 Ų | 119.2 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | | | trans | -86.2 | 103.8 | 159.5 | 31.8 | -21.7 | 0 | 0 | 0 | 106.8 | | |
| 53 | S | 50.2 | Low | 55.4 | Low | 110 Ų | 110 | 114.7 Ų | 114.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | 147.1 | 68 | 155 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | G55 | S53-G55 PolarHBondContact O-N 3.35Š|
| 54 | A | 54.5 | Low | 55 | Low | 108 Ų | 108 | 111.5 Ų | 111.5 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | | | trans | -75.4 | 78.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | S56 | A54-S56 PolarHBondContact O-N 3.04Š|
| 55 | G | 49.3 | Very low | 54.7 | Low | 56 Ų | 56 | 114.2 Ų | 114.2 | 58% | 0.577 | 76% | 0.76 | S | S | * | * | | | trans | -49.9 | 138 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S53 E57 | S53-G55 PolarHBondContact O-N 3.35Å; G55-E57 PolarHBondContact O-N 3.17Å |
| 56 | S | 59.1 | Low | 55.1 | Low | 124 Ų | 124 | 116.4 Ų | 116.4 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | trans | -50.7 | 113.7 | 172.6 | -55.8 | 0 | 0 | 0 | 0 | 110 | A54 | A54-S56 PolarHBondContact O-N 3.04Š|
| 57 | E | 54.4 | Low | 55.5 | Low | 185 Ų | 185 | 119.9 Ų | 119.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -150.8 | 103.4 | 148 | -111.9 | 177.5 | 125.5 | 0 | 0 | 107.9 | G55 A59 | G55-E57 PolarHBondContact O-N 3.17Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.03Å |
| 58 | A | 60.4 | Low | 55.8 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -58.8 | 100 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | S60 | A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 3.39Å |
| 59 | A | 55 | Low | 55.7 | Low | 94 Ų | 94 | 121.1 Ų | 121.1 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | trans | -67.5 | 91.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | E57 P61 | E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.03Å; A59-P61 WeakPolarHBondContact O-CD 3.08Å |
| 60 | S | 56.9 | Low | 55.4 | Low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | | | trans | -46.6 | 120.2 | 163.7 | -79.8 | 0 | 0 | 0 | 0 | 108.4 | A58 K62 | A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 3.39Å; S60-K62 PolarHBondContact O-N 3.34Å |
| 61 | P | 57.4 | Low | 55.6 | Low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | trans | -63.2 | 112.1 | 172.7 | 24.9 | -30.1 | 0 | 0 | 0 | 107.2 | A59 S63 | A59-P61 WeakPolarHBondContact O-CD 3.08Å; P61-S63 PolarHBondContact O-N 2.66Å; P61-S63 VanDerWaalsContact O-N 3.12Å |
| 62 | K | 58.8 | Low | 56.2 | Low | 195 Ų | 195 | 123.6 Ų | 123.6 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | | | trans | -60.1 | 116.5 | 174.5 | -144.4 | 167 | -172.4 | 167.3 | 0 | 106.5 | S60 V64 | S60-K62 PolarHBondContact O-N 3.34Å; K62-V64 PolarHBondContact O-N 3.19Å |
| 63 | S | 64 | Low | 56.2 | Low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | | | trans | -41.3 | 108.3 | 169.9 | 167.6 | 0 | 0 | 0 | 0 | 109.8 | P61 Q65 | P61-S63 PolarHBondContact O-N 2.66Å; P61-S63 VanDerWaalsContact O-N 3.12Å; S63-Q65 PolarHBondContact O-N 2.84Å |
| 64 | V | 56.4 | Low | 56.5 | Low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | | | trans | -90.3 | 103.4 | 168.8 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | K62 | K62-V64 PolarHBondContact O-N 3.19Š|
| 65 | Q | 59.6 | Low | 56.6 | Low | 171 Ų | 171 | 125 Ų | 125 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | | | trans | -49.4 | 129.8 | 176 | -163 | 170.6 | 3.5 | 0 | 0 | 110.9 | S63 | S63-Q65 PolarHBondContact O-N 2.84Š|
| 66 | A | 65.3 | Low | 57.1 | Low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 85% | 0.854 | S | S | * | * | | | trans | -60 | 135.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S68 | A66-S68 PolarHBondContact O-N 2.94Å; A66-S68 VanDerWaalsContact O-N 3.12Å |
| 67 | P | 60.2 | Low | 57 | Low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 85% | 0.853 | S | S | * | * | | | trans | -66.3 | 113.2 | 165.2 | 26.1 | -29.8 | 0 | 0 | 0 | 108.6 | | |
| 68 | S | 57.2 | Low | 57.2 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | | | trans | -80.9 | 131.6 | 164.2 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | A66 | A66-S68 PolarHBondContact O-N 2.94Å; A66-S68 VanDerWaalsContact O-N 3.12Å |
| 69 | G | 49.3 | Very low | 56.9 | Low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 86% | 0.855 | S | S | * | * | | | trans | 122.8 | 122.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 70 | A | 42.9 | Very low | 57.1 | Low | 178 Ų | 178 | 131.1 Ų | 131.1 | 100% | 1.471 | 86% | 0.862 | S | S | * | * | | | cis | -151.1 | 0 | 19 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |