| 1 | Y | 41.8 | Very low | 50.8 | Low | 279 Ų | 279 | 143.5 Ų | 143.5 | 100% | 1.094 | 70% | 0.702 | S | S | * | * | | | | 0 | 116.5 | 0 | -141.6 | -109.1 | 0 | 0 | 0 | 107.1 | | |
| 2 | V | 43.4 | Very low | 51.4 | Low | 108 Ų | 108 | 139.7 Ų | 139.7 | 66% | 0.655 | 69% | 0.685 | S | S | * | * | | | trans | 68.2 | 84.2 | 156.5 | -163.8 | 0 | 0 | 0 | 0 | 118.3 | K4 | V2-K4 HydrophobicContact CG1-CB 4.43Š|
| 3 | L | 45.3 | Very low | 51.9 | Low | 176 Ų | 176 | 133.2 Ų | 133.2 | 92% | 0.921 | 67% | 0.668 | S | S | * | * | | | trans | -105.7 | 79.4 | 147.7 | -90.3 | 101 | 0 | 0 | 0 | 108.5 | P5 | L3-P5 WeakPolarHBondContact O-CD 3.39Š|
| 4 | K | 45.7 | Very low | 52 | Low | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.735 | 66% | 0.659 | S | S | * | * | | | trans | -96.8 | 99.2 | 157.8 | -88.2 | -174.9 | 171.6 | 179 | 0 | 106.4 | V2 T6 | V2-K4 HydrophobicContact CG1-CB 4.43Å; K4-T6 VanDerWaalsContact C-N 3.28Å; K4-T6 PolarHBondContact O-N 3.15Å |
| 5 | P | 53.3 | Low | 52 | Low | 94 Ų | 94 | 129.3 Ų | 129.3 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | | | trans | -70 | 93.6 | 167.4 | 29.6 | -31.7 | 0 | 0 | 0 | 107.5 | L3 F7 | L3-P5 WeakPolarHBondContact O-CD 3.39Å; P5-F7 HydrophobicContact CB-CD2 4.24Å; P5-F7 HydrophobicContact CB-CE2 3.66Å; P5-F7 HydrophobicContact CB-CZ 4.02Å; P5-F7 HydrophobicContact CG-CE2 3.88Å; P5-F7 WeakPolarHBondContact O-CD2 3.43Å; P5-F7 PolarHBondContact O-N 3.11Å; P5-F7 VanDerWaalsContact O-N 3.1Å |
| 6 | T | 54.3 | Low | 52 | Low | 115 Ų | 115 | 129.6 Ų | 129.6 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | | | trans | -75.2 | 93.1 | 168.6 | 45 | 0 | 0 | 0 | 0 | 108 | K4 T8 | K4-T6 VanDerWaalsContact C-N 3.28Å; K4-T6 PolarHBondContact O-N 3.15Å; T6-T8 PolarHBondContact O-N 3.34Å |
| 7 | F | 53.9 | Low | 51.8 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | | | trans | -67.7 | 112.6 | 171.4 | -66.2 | -84 | 0 | 0 | 0 | 108.6 | P5 I12 | P5-F7 HydrophobicContact CB-CD2 4.24Å; P5-F7 HydrophobicContact CB-CE2 3.66Å; P5-F7 HydrophobicContact CB-CZ 4.02Å; P5-F7 HydrophobicContact CG-CE2 3.88Å; P5-F7 WeakPolarHBondContact O-CD2 3.43Å; P5-F7 PolarHBondContact O-N 3.11Å; P5-F7 VanDerWaalsContact O-N 3.1Å; F7-I12 HydrophobicContact CB-CD1 4.43Å; F7-I12 HydrophobicContact CB-CG1 4.15Å |
| 8 | T | 54.9 | Low | 51.4 | Low | 78 Ų | 78 | 133.4 Ų | 133.4 | 48% | 0.479 | 67% | 0.665 | S | S | . | * | | | trans | -71.7 | 149.7 | 173.6 | 37.4 | 0 | 0 | 0 | 0 | 109.6 | T6 Q10 Q11 I12 | T6-T8 PolarHBondContact O-N 3.34Å; T8-Q10 PolarHBondContact O-N 3Å; T8-Q11 WeakPolarHBondContact O-CA 3.33Å; T8-Q11 WeakPolarHBondContact O-CB 3.46Å; T8-Q11 PolarHBondContact O-N 3.21Å; T8-Q11 PolarHBondContact OG1-OE1 3.1Å; T8-I12 PolarHBondContact O-N 2.81Å; T8-I12 VanDerWaalsContact O-N 3.11Å |
| 9 | K | 55.9 | Low | 51.2 | Low | 188 Ų | 188 | 130.8 Ų | 130.8 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -53 | -29.1 | 180 | -69.1 | -175.1 | 177.9 | -176.8 | 0 | 113.2 | I12 A13 | K9-I12 PolarHBondContact O-N 2.92Å; K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 2.84Å |
| 10 | Q | 55.2 | Low | 50.5 | Low | 154 Ų | 154 | 132.9 Ų | 132.9 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -70.3 | -34.4 | 174.2 | -71.4 | -179.6 | -38.2 | 0 | 0 | 113.3 | T8 N14 | T8-Q10 PolarHBondContact O-N 3Å; Q10-N14 PolarHBondContact O-N 3.11Å; Q10-N14 VanDerWaalsContact O-N 3.11Å; Q10-N14 PolarHBondContact O-ND2 3.42Å; Q10-N14 VanDerWaalsContact O-ND2 3.15Å |
| 11 | Q | 55.5 | Low | 50.1 | Low | 95 Ų | 95 | 133.9 Ų | 133.9 | 44% | 0.444 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -70.2 | -38.5 | 172 | -73.7 | 175.2 | -35.5 | 0 | 0 | 111.4 | T8 N14 L15 | T8-Q11 WeakPolarHBondContact O-CA 3.33Å; T8-Q11 WeakPolarHBondContact O-CB 3.46Å; T8-Q11 PolarHBondContact O-N 3.21Å; T8-Q11 PolarHBondContact OG1-OE1 3.1Å; Q11-N14 PolarHBondContact O-N 3.02Å; Q11-L15 WeakPolarHBondContact O-CB 3.47Å; Q11-L15 PolarHBondContact O-N 3.46Å |
| 12 | I | 57.5 | Low | 50.1 | Low | 97 Ų | 97 | 126.8 Ų | 126.8 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -63.5 | -44.4 | 173.8 | -60.1 | 175.7 | 0 | 0 | 0 | 110.5 | F7 T8 K9 N14 L15 D16 | F7-I12 HydrophobicContact CB-CD1 4.43Å; F7-I12 HydrophobicContact CB-CG1 4.15Å; T8-I12 PolarHBondContact O-N 2.81Å; T8-I12 VanDerWaalsContact O-N 3.11Å; K9-I12 PolarHBondContact O-N 2.92Å; I12-N14 VanDerWaalsContact C-N 3.25Å; I12-N14 PolarHBondContact O-N 3.48Å; I12-L15 WeakPolarHBondContact O-CB 3.34Å; I12-L15 PolarHBondContact O-N 2.92Å; I12-L15 VanDerWaalsContact O-N 3.11Å; I12-D16 WeakPolarHBondContact O-CB 3.29Å; I12-D16 PolarHBondContact O-N 3.31Å |
| 13 | A | 58.1 | Low | 50 | Low | 56 Ų | 56 | 132.2 Ų | 132.2 | 46% | 0.463 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -63.1 | -30.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K9 K17 | K9-A13 WeakPolarHBondContact O-CB 3.44Å; K9-A13 PolarHBondContact O-N 2.84Å; A13-K17 PolarHBondContact O-N 3.11Å |
| 14 | N | 52.6 | Low | 49.8 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -80.9 | -30.4 | 173 | -75.8 | -36.2 | 0 | 0 | 0 | 112.8 | Q10 Q11 I12 K17 Q18 | Q10-N14 PolarHBondContact O-N 3.11Å; Q10-N14 VanDerWaalsContact O-N 3.11Å; Q10-N14 PolarHBondContact O-ND2 3.42Å; Q10-N14 VanDerWaalsContact O-ND2 3.15Å; Q11-N14 PolarHBondContact O-N 3.02Å; I12-N14 VanDerWaalsContact C-N 3.25Å; I12-N14 PolarHBondContact O-N 3.48Å; N14-K17 PolarHBondContact O-N 3.29Å; N14-Q18 WeakPolarHBondContact O-CB 3.39Å; N14-Q18 WeakPolarHBondContact O-CG 3.48Å; N14-Q18 PolarHBondContact O-N 3.31Å |
| 15 | L | 52.6 | Low | 49.8 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 56% | 0.555 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.2 | -40.6 | 172.3 | -118.2 | 91.9 | 0 | 0 | 0 | 111.5 | Q11 I12 K17 Q18 A19 | Q11-L15 WeakPolarHBondContact O-CB 3.47Å; Q11-L15 PolarHBondContact O-N 3.46Å; I12-L15 WeakPolarHBondContact O-CB 3.34Å; I12-L15 PolarHBondContact O-N 2.92Å; I12-L15 VanDerWaalsContact O-N 3.11Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.45Å; L15-Q18 CarbonylContact O-C 3.11Å; L15-Q18 VanDerWaalsContact O-CA 3.29Å; L15-Q18 WeakPolarHBondContact O-CA 3.44Å; L15-Q18 PolarHBondContact O-N 2.68Å; L15-A19 PolarHBondContact O-N 3.45Å |
| 16 | D | 52.2 | Low | 49.2 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.9 | -37.2 | 176.5 | -164.9 | 48.3 | 0 | 0 | 0 | 111.3 | I12 Q18 A19 | I12-D16 WeakPolarHBondContact O-CB 3.29Å; I12-D16 PolarHBondContact O-N 3.31Å; D16-Q18 VanDerWaalsContact C-N 3.31Å; D16-Q18 PolarHBondContact O-N 2.93Å; D16-A19 PolarHBondContact O-N 2.88Å |
| 17 | K | 48.2 | Very low | 48.7 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.6 | -18.2 | 168.9 | -84.6 | -175.9 | 174.7 | 179.3 | 0 | 114.4 | A13 N14 L15 A19 | A13-K17 PolarHBondContact O-N 3.11Å; N14-K17 PolarHBondContact O-N 3.29Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.45Å; K17-A19 VanDerWaalsContact C-N 3.35Å |
| 18 | Q | 44.8 | Very low | 48.1 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 34.6 | 172.5 | -75.3 | -174.3 | -7.3 | 0 | 0 | 111.8 | N14 L15 D16 K20 | N14-Q18 WeakPolarHBondContact O-CB 3.39Å; N14-Q18 WeakPolarHBondContact O-CG 3.48Å; N14-Q18 PolarHBondContact O-N 3.31Å; L15-Q18 CarbonylContact O-C 3.11Å; L15-Q18 VanDerWaalsContact O-CA 3.29Å; L15-Q18 WeakPolarHBondContact O-CA 3.44Å; L15-Q18 PolarHBondContact O-N 2.68Å; D16-Q18 VanDerWaalsContact C-N 3.31Å; D16-Q18 PolarHBondContact O-N 2.93Å; Q18-K20 PolarHBondContact O-N 3.49Å |
| 19 | A | 47 | Very low | 47.5 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 68% | 0.684 | S | S | * | * | | | trans | -62.5 | 66.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L15 D16 K17 L21 | L15-A19 PolarHBondContact O-N 3.45Å; D16-A19 PolarHBondContact O-N 2.88Å; K17-A19 VanDerWaalsContact C-N 3.35Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.9Å |
| 20 | K | 38.2 | Very low | 47 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | | | trans | -65.5 | 101.8 | 175.7 | -172 | 177 | -177.1 | -178.8 | 0 | 104.9 | Q18 S22 | Q18-K20 PolarHBondContact O-N 3.49Å; K20-S22 PolarHBondContact O-N 2.64Å |
| 21 | L | 41.9 | Very low | 46.4 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 80% | 0.801 | 68% | 0.684 | S | S | * | * | | | trans | -15.8 | 119.1 | 156.7 | -70.1 | 159.8 | 0 | 0 | 0 | 109.9 | A19 R23 | A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.9Å; L21-R23 PolarHBondContact O-N 3.25Å |
| 22 | S | 42 | Very low | 45.6 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | | | trans | -53 | 84.7 | 167.3 | -70.4 | 0 | 0 | 0 | 0 | 109.2 | K20 | K20-S22 PolarHBondContact O-N 2.64Š|
| 23 | R | 41.6 | Very low | 45.2 | Very low | 222 Ų | 222 | 130.4 Ų | 130.4 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | | | trans | -90.1 | 115.5 | 159.6 | -123.7 | 175.2 | -179.2 | -177.8 | -0.3 | 103.1 | L21 Y25 | L21-R23 PolarHBondContact O-N 3.25Å; R23-Y25 PolarHBondContact O-N 3.42Å |
| 24 | A | 40.9 | Very low | 44.4 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 51% | 0.512 | 74% | 0.735 | S | S | . | * | | | trans | -45.5 | 130.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | D26 | A24-D26 PolarHBondContact O-N 2.99Š|
| 25 | Y | 44.4 | Very low | 44.1 | Very low | 233 Ų | 233 | 136.4 Ų | 136.4 | 91% | 0.914 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 6.6 | -179.3 | -137.7 | -85.1 | 0 | 0 | 0 | 112.3 | R23 | R23-Y25 PolarHBondContact O-N 3.42Š|
| 26 | D | 42.2 | Very low | 44 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 25 | -162.1 | -160.9 | 19.1 | 0 | 0 | 0 | 113.9 | A24 T28 | A24-D26 PolarHBondContact O-N 2.99Å; D26-T28 PolarHBondContact O-N 3.43Å |
| 27 | G | 42.1 | Very low | 43.8 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | 63.1 | 5.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | T29 | G27-T29 PolarHBondContact O-N 3.47Š|
| 28 | T | 41.4 | Very low | 43.6 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 43% | 0.429 | 76% | 0.76 | S | S | . | * | | | trans | -79.2 | 108.9 | -178 | 40.4 | 0 | 0 | 0 | 0 | 111 | D26 Y30 | D26-T28 PolarHBondContact O-N 3.43Å; T28-Y30 WeakPolarHBondContact O-CD2 3.25Å; T28-Y30 PolarHBondContact O-N 3.2Å; T28-Y30 VanDerWaalsContact OG1-CE2 3.29Å; T28-Y30 WeakPolarHBondContact OG1-CE2 3.33Å; T28-Y30 PolarHBondContact OG1-OH 3.29Å |
| 29 | T | 44.1 | Very low | 43.8 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | -78.8 | 99.5 | 171.7 | -55 | 0 | 0 | 0 | 0 | 107.8 | G27 | G27-T29 PolarHBondContact O-N 3.47Š|
| 30 | Y | 44.1 | Very low | 43.7 | Very low | 186 Ų | 186 | 139 Ų | 139 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | | | trans | -77 | 124.8 | 174.8 | -65.1 | -81.2 | 0 | 0 | 0 | 109.9 | T28 | T28-Y30 WeakPolarHBondContact O-CD2 3.25Å; T28-Y30 PolarHBondContact O-N 3.2Å; T28-Y30 VanDerWaalsContact OG1-CE2 3.29Å; T28-Y30 WeakPolarHBondContact OG1-CE2 3.33Å; T28-Y30 PolarHBondContact OG1-OH 3.29Å |
| 31 | L | 42.4 | Very low | 44.2 | Very low | 156 Ų | 156 | 139 Ų | 139 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 126.1 | 173 | -80.3 | 156.9 | 0 | 0 | 0 | 109.6 | G33 | L31-G33 PolarHBondContact O-N 2.98Š|
| 32 | P | 40.1 | Very low | 44.2 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 108.2 | 177.1 | 31 | -29 | 0 | 0 | 0 | 108.6 | | |
| 33 | G | 47.6 | Very low | 44.4 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.8 | -22.8 | 169 | 0 | 0 | 0 | 0 | 0 | 118.2 | L31 | L31-G33 PolarHBondContact O-N 2.98Š|
| 34 | I | 42.8 | Very low | 44.8 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -121.7 | -8.1 | -171.7 | -57.8 | -177.1 | 0 | 0 | 0 | 113.9 | | |
| 35 | V | 46.1 | Very low | 45.2 | Very low | 119 Ų | 119 | 135 Ų | 135 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | -115.8 | 67 | 176.7 | -149.1 | 0 | 0 | 0 | 0 | 110.4 | L37 | V35-L37 VanDerWaalsContact C-N 3.35Å; V35-L37 PolarHBondContact O-N 3.26Å |
| 36 | G | 49.8 | Very low | 45.6 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 99.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 37 | L | 48.1 | Very low | 46.1 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 180 | 8 | 161.9 | -99.6 | 162 | 0 | 0 | 0 | 113.6 | V35 | V35-L37 VanDerWaalsContact C-N 3.35Å; V35-L37 PolarHBondContact O-N 3.26Å |
| 38 | N | 44.8 | Very low | 46.6 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -129.4 | 36.7 | -178 | -100.3 | -43.5 | 0 | 0 | 0 | 114 | | |
| 39 | N | 48.1 | Very low | 47.4 | Very low | 160 Ų | 160 | 124.7 Ų | 124.7 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -127.8 | 17.1 | -178.2 | -133.5 | -5.9 | 0 | 0 | 0 | 116 | | |
| 40 | I | 44.6 | Very low | 48 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 82% | 0.821 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -140.9 | 40.6 | 173.6 | -36.7 | 177.9 | 0 | 0 | 0 | 112.1 | | |
| 41 | K | 48.3 | Very low | 48.6 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -142.9 | -6.7 | 175.4 | -141.1 | 178.2 | -179.6 | -169.7 | 0 | 117.3 | | |
| 42 | A | 42.8 | Very low | 49.2 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -120 | 2.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 43 | N | 46.3 | Very low | 50 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 60% | 0.599 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -101.2 | -13.7 | 173.7 | -159.1 | 41.9 | 0 | 0 | 0 | 114.1 | N47 | N43-N47 PolarHBondContact O-N 3.33Å; N43-N47 PolarHBondContact O-ND2 3.35Å |
| 44 | D | 49.2 | Very low | 50.5 | Low | 115 Ų | 115 | 121.8 Ų | 121.8 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.4 | -28.2 | 171.3 | -69.1 | -48.5 | 0 | 0 | 0 | 112.4 | A48 | D44-A48 WeakPolarHBondContact O-CB 3.25Å; D44-A48 PolarHBondContact O-N 2.81Å |
| 45 | Y | 50.8 | Low | 51.2 | Low | 170 Ų | 170 | 119 Ų | 119 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.7 | -41 | 176.9 | -84.5 | -82.5 | 0 | 0 | 0 | 112.4 | V49 | Y45-V49 WeakPolarHBondContact O-CB 3.28Å; Y45-V49 VanDerWaalsContact O-CG2 3.25Å; Y45-V49 WeakPolarHBondContact O-CG2 3.46Å; Y45-V49 PolarHBondContact O-N 3.04Å; Y45-V49 VanDerWaalsContact O-N 3.14Å |
| 46 | A | 53.2 | Low | 51.5 | Low | 56 Ų | 56 | 118.5 Ų | 118.5 | 46% | 0.463 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68 | -43.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | L50 | A46-L50 VanDerWaalsContact O-CB 3.28Å; A46-L50 WeakPolarHBondContact O-CB 3.27Å; A46-L50 PolarHBondContact O-N 3.03Å |
| 47 | N | 51.1 | Low | 51.8 | Low | 88 Ų | 88 | 122.5 Ų | 122.5 | 47% | 0.471 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.1 | -38.7 | 177.8 | -72.9 | -28.9 | 0 | 0 | 0 | 112.7 | N43 L50 Q51 | N43-N47 PolarHBondContact O-N 3.33Å; N43-N47 PolarHBondContact O-ND2 3.35Å; N47-L50 PolarHBondContact O-N 3.14Å; N47-Q51 WeakPolarHBondContact O-CB 3.11Å; N47-Q51 PolarHBondContact O-N 2.92Å |
| 48 | A | 53.9 | Low | 51.9 | Low | 55 Ų | 55 | 119.6 Ų | 119.6 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.5 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D44 Q51 E52 | D44-A48 WeakPolarHBondContact O-CB 3.25Å; D44-A48 PolarHBondContact O-N 2.81Å; A48-Q51 PolarHBondContact O-N 2.87Å; A48-E52 PolarHBondContact O-N 3.2Å |
| 49 | V | 57.7 | Low | 52.2 | Low | 91 Ų | 91 | 119.2 Ų | 119.2 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.5 | -39.6 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | Y45 Q51 M53 | Y45-V49 WeakPolarHBondContact O-CB 3.28Å; Y45-V49 VanDerWaalsContact O-CG2 3.25Å; Y45-V49 WeakPolarHBondContact O-CG2 3.46Å; Y45-V49 PolarHBondContact O-N 3.04Å; Y45-V49 VanDerWaalsContact O-N 3.14Å; V49-Q51 VanDerWaalsContact C-N 3.35Å; V49-M53 WeakPolarHBondContact O-CB 3.38Å; V49-M53 PolarHBondContact O-N 3.45Å |
| 50 | L | 57.1 | Low | 52.5 | Low | 129 Ų | 129 | 114.3 Ų | 114.3 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.3 | -38.8 | 175.8 | -154 | 95.3 | 0 | 0 | 0 | 111.4 | A46 N47 A54 | A46-L50 VanDerWaalsContact O-CB 3.28Å; A46-L50 WeakPolarHBondContact O-CB 3.27Å; A46-L50 PolarHBondContact O-N 3.03Å; N47-L50 PolarHBondContact O-N 3.14Å; L50-A54 VanDerWaalsContact O-CB 3.25Å; L50-A54 WeakPolarHBondContact O-CB 3.13Å; L50-A54 PolarHBondContact O-N 2.97Å |
| 51 | Q | 57 | Low | 52.4 | Low | 138 Ų | 138 | 118.3 Ų | 118.3 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.5 | -43.7 | 178.2 | -170.9 | 80.8 | 13.9 | 0 | 0 | 112 | N47 A48 V49 L55 | N47-Q51 WeakPolarHBondContact O-CB 3.11Å; N47-Q51 PolarHBondContact O-N 2.92Å; A48-Q51 PolarHBondContact O-N 2.87Å; V49-Q51 VanDerWaalsContact C-N 3.35Å; Q51-L55 VanDerWaalsContact O-CB 3.27Å; Q51-L55 WeakPolarHBondContact O-CB 3.29Å; Q51-L55 PolarHBondContact O-N 3.42Å |
| 52 | E | 54.3 | Low | 52.6 | Low | 143 Ų | 143 | 115.6 Ų | 115.6 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.3 | -46.2 | 174.4 | -90.2 | -161.9 | 144.9 | 0 | 0 | 111.6 | A48 A54 L55 T56 | A48-E52 PolarHBondContact O-N 3.2Å; E52-A54 VanDerWaalsContact C-N 3.33Å; E52-A54 PolarHBondContact O-N 2.84Å; E52-L55 PolarHBondContact O-N 3.21Å; E52-T56 PolarHBondContact O-N 3.35Å; E52-T56 PolarHBondContact O-OG1 3.25Å |
| 53 | M | 56.7 | Low | 53.1 | Low | 149 Ų | 149 | 117 Ų | 117 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.3 | -37.6 | -178.6 | -161.8 | 179.6 | 111.1 | 0 | 0 | 111.8 | V49 F57 | V49-M53 WeakPolarHBondContact O-CB 3.38Å; V49-M53 PolarHBondContact O-N 3.45Å; M53-F57 PolarHBondContact O-N 3.37Å |
| 54 | A | 58 | Low | 53.5 | Low | 62 Ų | 62 | 117.3 Ų | 117.3 | 51% | 0.512 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.9 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L50 E52 F57 C58 | L50-A54 VanDerWaalsContact O-CB 3.25Å; L50-A54 WeakPolarHBondContact O-CB 3.13Å; L50-A54 PolarHBondContact O-N 2.97Å; E52-A54 VanDerWaalsContact C-N 3.33Å; E52-A54 PolarHBondContact O-N 2.84Å; A54-F57 PolarHBondContact O-N 3.39Å; A54-C58 PolarHBondContact O-N 3.27Å |
| 55 | L | 56.8 | Low | 53.8 | Low | 105 Ų | 105 | 117.4 Ų | 117.4 | 55% | 0.55 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.8 | -41.7 | -179.5 | -170.2 | 70.9 | 0 | 0 | 0 | 112 | Q51 E52 F57 C58 L59 | Q51-L55 VanDerWaalsContact O-CB 3.27Å; Q51-L55 WeakPolarHBondContact O-CB 3.29Å; Q51-L55 PolarHBondContact O-N 3.42Å; E52-L55 PolarHBondContact O-N 3.21Å; L55-F57 VanDerWaalsContact C-N 3.34Å; L55-F57 PolarHBondContact O-N 2.88Å; L55-C58 PolarHBondContact O-N 3.25Å; L55-L59 HydrophobicContact CD1-CD1 4.41Å; L55-L59 HydrophobicContact CG-CD1 4.18Å; L55-L59 PolarHBondContact O-N 3.06Å |
| 56 | T | 53.7 | Low | 54 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.8 | -34.6 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | E52 C58 | E52-T56 PolarHBondContact O-N 3.35Å; E52-T56 PolarHBondContact O-OG1 3.25Å; T56-C58 VanDerWaalsContact C-N 3.35Å |
| 57 | F | 54.6 | Low | 54 | Low | 158 Ų | 158 | 118 Ų | 118 | 69% | 0.693 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.1 | -32.2 | 177.5 | -172.3 | -100.3 | 0 | 0 | 0 | 112.8 | M53 A54 L55 | M53-F57 PolarHBondContact O-N 3.37Å; A54-F57 PolarHBondContact O-N 3.39Å; L55-F57 VanDerWaalsContact C-N 3.34Å; L55-F57 PolarHBondContact O-N 2.88Å |
| 58 | C | 50.4 | Low | 54.2 | Low | 101 Ų | 101 | 120.1 Ų | 120.1 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.6 | -26 | -175.2 | -146.8 | 0 | 0 | 0 | 0 | 113.8 | A54 L55 T56 G60 | A54-C58 PolarHBondContact O-N 3.27Å; L55-C58 PolarHBondContact O-N 3.25Å; T56-C58 VanDerWaalsContact C-N 3.35Å; C58-G60 VanDerWaalsContact C-N 3.32Å |
| 59 | L | 52.6 | Low | 54.2 | Low | 142 Ų | 142 | 125.2 Ų | 125.2 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -0.9 | 178.7 | -78.7 | 162.6 | 0 | 0 | 0 | 114.1 | L55 | L55-L59 HydrophobicContact CD1-CD1 4.41Å; L55-L59 HydrophobicContact CG-CD1 4.18Å; L55-L59 PolarHBondContact O-N 3.06Å |
| 60 | G | 54.3 | Low | 54 | Low | 57 Ų | 57 | 128 Ų | 128 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 9.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | C58 | C58-G60 VanDerWaalsContact C-N 3.32Š|
| 61 | F | 41.9 | Very low | 53.7 | Low | 243 Ų | 243 | 127.9 Ų | 127.9 | 100% | 1.066 | 69% | 0.686 | S | S | * | * | | | trans | -133.5 | 0 | 177.1 | -81.9 | -80.1 | 0 | 0 | 0 | 112.2 | | |