| 1 | M | 51.6 | Low | 60.4 | Low | 244 Ų | 244 | 114.1 Ų | 114.1 | 100% | 1.202 | 62% | 0.616 | S | S | * | * | | | | 0 | 118.2 | 0 | -71.6 | -172.3 | 160.6 | 0 | 0 | 107.5 | L3 | M1-L3 PolarHBondContact O-N 3.12Š|
| 2 | N | 50.9 | Low | 61 | Low | 137 Ų | 137 | 112.6 Ų | 112.6 | 73% | 0.733 | 61% | 0.613 | S | S | * | * | | | trans | -69.3 | 97.6 | -175.5 | -88.5 | -45.3 | 0 | 0 | 0 | 109.8 | N4 C5 | N2-N4 PolarHBondContact O-N 3.02Å; N2-N4 VanDerWaalsContact O-N 3.12Å; N2-C5 HydrophobicContact CB-CB 4.23Å; N2-C5 WeakPolarHBondContact O-CB 3.38Å; N2-C5 PolarHBondContact O-N 3.49Å |
| 3 | L | 61 | Low | 61.2 | Low | 129 Ų | 129 | 107.9 Ų | 107.9 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -53.1 | -32.9 | 179.5 | -161 | 68.7 | 0 | 0 | 0 | 111.6 | M1 C5 L6 C7 | M1-L3 PolarHBondContact O-N 3.12Å; L3-C5 VanDerWaalsContact C-N 3.31Å; L3-C5 PolarHBondContact O-N 2.98Å; L3-L6 WeakPolarHBondContact O-CB 3.39Å; L3-L6 PolarHBondContact O-N 3.43Å; L3-L6 VanDerWaalsContact O-N 3.16Å; L3-C7 PolarHBondContact O-N 2.78Å |
| 4 | N | 55.5 | Low | 61.3 | Low | 124 Ų | 124 | 105.8 Ų | 105.8 | 66% | 0.663 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.8 | -31.7 | 176 | -64.5 | -18.9 | 0 | 0 | 0 | 113.9 | N2 L6 C7 L8 | N2-N4 PolarHBondContact O-N 3.02Å; N2-N4 VanDerWaalsContact O-N 3.12Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-C7 PolarHBondContact O-N 3.07Å; N4-L8 PolarHBondContact O-N 3.43Å |
| 5 | C | 57.5 | Low | 61.5 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 48% | 0.48 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.4 | -33.2 | 178 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | N2 L3 C7 L8 L9 | N2-C5 HydrophobicContact CB-CB 4.23Å; N2-C5 WeakPolarHBondContact O-CB 3.38Å; N2-C5 PolarHBondContact O-N 3.49Å; L3-C5 VanDerWaalsContact C-N 3.31Å; L3-C5 PolarHBondContact O-N 2.98Å; C5-C7 VanDerWaalsContact C-N 3.34Å; C5-C7 PolarHBondContact O-N 3.34Å; C5-L8 PolarHBondContact O-N 3.09Å; C5-L9 VanDerWaalsContact O-CG 3.32Å; C5-L9 WeakPolarHBondContact O-CG 3.41Å; C5-L9 PolarHBondContact O-N 2.96Å |
| 6 | L | 59.9 | Low | 61.5 | Low | 113 Ų | 113 | 107.9 Ų | 107.9 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.5 | -38.6 | 175.7 | -156.7 | 79.2 | 0 | 0 | 0 | 111.4 | L3 N4 L9 T10 | L3-L6 WeakPolarHBondContact O-CB 3.39Å; L3-L6 PolarHBondContact O-N 3.43Å; L3-L6 VanDerWaalsContact O-N 3.16Å; N4-L6 VanDerWaalsContact C-N 3.32Å; L6-L9 PolarHBondContact O-N 3.37Å; L6-T10 PolarHBondContact O-N 3.14Å; L6-T10 PolarHBondContact O-OG1 2.82Å |
| 7 | C | 64.3 | Low | 61.2 | Low | 51 Ų | 51 | 105.6 Ų | 105.6 | 35% | 0.345 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -37.4 | 175.9 | -67.3 | 0 | 0 | 0 | 0 | 113 | L3 N4 C5 T10 L11 | L3-C7 PolarHBondContact O-N 2.78Å; N4-C7 PolarHBondContact O-N 3.07Å; C5-C7 VanDerWaalsContact C-N 3.34Å; C5-C7 PolarHBondContact O-N 3.34Å; C7-T10 WeakPolarHBondContact CA-OG1 3.42Å; C7-T10 PolarHBondContact O-OG1 2.79Å; C7-L11 WeakPolarHBondContact O-CG 3.39Å; C7-L11 PolarHBondContact O-N 2.82Å; C7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | L | 64.8 | Low | 60.6 | Low | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.2 | -39.3 | 175.5 | -69.9 | 171.7 | 0 | 0 | 0 | 111.5 | N4 C5 T10 L11 V12 | N4-L8 PolarHBondContact O-N 3.43Å; C5-L8 PolarHBondContact O-N 3.09Å; L8-T10 PolarHBondContact O-N 3.14Å; L8-L11 PolarHBondContact O-N 2.98Å; L8-V12 WeakPolarHBondContact O-CG2 3.2Å; L8-V12 PolarHBondContact O-N 3.27Å |
| 9 | L | 66.7 | Low | 60.1 | Low | 111 Ų | 111 | 100.2 Ų | 100.2 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.4 | -40.2 | 176.2 | -71.9 | 170.5 | 0 | 0 | 0 | 112.1 | C5 L6 A13 | C5-L9 VanDerWaalsContact O-CG 3.32Å; C5-L9 WeakPolarHBondContact O-CG 3.41Å; C5-L9 PolarHBondContact O-N 2.96Å; L6-L9 PolarHBondContact O-N 3.37Å; L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.28Å; L9-A13 PolarHBondContact O-N 2.81Å |
| 10 | T | 66.5 | Low | 59.7 | Low | 77 Ų | 77 | 103.6 Ų | 103.6 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.7 | -39.2 | 176.3 | 41.1 | 0 | 0 | 0 | 0 | 112.3 | L6 C7 L8 A13 I14 | L6-T10 PolarHBondContact O-N 3.14Å; L6-T10 PolarHBondContact O-OG1 2.82Å; C7-T10 WeakPolarHBondContact CA-OG1 3.42Å; C7-T10 PolarHBondContact O-OG1 2.79Å; L8-T10 PolarHBondContact O-N 3.14Å; T10-A13 PolarHBondContact O-N 3.33Å; T10-I14 WeakPolarHBondContact O-CD1 3.42Å; T10-I14 WeakPolarHBondContact O-CG1 3.29Å; T10-I14 PolarHBondContact O-N 3.42Å |
| 11 | L | 66.2 | Low | 59.1 | Low | 84 Ų | 84 | 106.7 Ų | 106.7 | 44% | 0.44 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -46.2 | 173.9 | -75 | 169.9 | 0 | 0 | 0 | 112.3 | C7 L8 A13 I14 I15 | C7-L11 WeakPolarHBondContact O-CG 3.39Å; C7-L11 PolarHBondContact O-N 2.82Å; C7-L11 VanDerWaalsContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 2.98Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 2.86Å; L11-I14 PolarHBondContact O-N 2.97Å; L11-I15 WeakPolarHBondContact O-CG1 3.48Å; L11-I15 PolarHBondContact O-N 2.62Å |
| 12 | V | 67.5 | Low | 59 | Low | 96 Ų | 96 | 100.6 Ų | 100.6 | 58% | 0.582 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L8 I14 I15 H16 | L8-V12 WeakPolarHBondContact O-CG2 3.2Å; L8-V12 PolarHBondContact O-N 3.27Å; V12-I14 PolarHBondContact O-N 3.44Å; V12-I15 PolarHBondContact O-N 2.97Å; V12-H16 VanDerWaalsContact O-CB 3.28Å; V12-H16 WeakPolarHBondContact O-CB 3.31Å; V12-H16 PolarHBondContact O-N 3.02Å |
| 13 | A | 62.8 | Low | 58.9 | Low | 52 Ų | 52 | 100.3 Ų | 100.3 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L9 T10 L11 H16 V17 | L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.28Å; L9-A13 PolarHBondContact O-N 2.81Å; T10-A13 PolarHBondContact O-N 3.33Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 2.86Å; A13-H16 PolarHBondContact O-N 3.14Å; A13-V17 WeakPolarHBondContact O-CB 3.41Å; A13-V17 WeakPolarHBondContact O-CG2 3.39Å; A13-V17 PolarHBondContact O-N 3.46Å |
| 14 | I | 63.6 | Low | 58.2 | Low | 78 Ų | 78 | 98.3 Ų | 98.3 | 40% | 0.4 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.4 | -67.8 | 161.8 | 0 | 0 | 0 | 110.5 | T10 L11 V12 H16 V17 S18 F30 | T10-I14 WeakPolarHBondContact O-CD1 3.42Å; T10-I14 WeakPolarHBondContact O-CG1 3.29Å; T10-I14 PolarHBondContact O-N 3.42Å; L11-I14 PolarHBondContact O-N 2.97Å; V12-I14 PolarHBondContact O-N 3.44Å; I14-H16 PolarHBondContact O-N 3.33Å; I14-V17 PolarHBondContact O-N 3.46Å; I14-S18 PolarHBondContact O-N 3.43Å; I14-S18 PolarHBondContact O-OG 3.43Å; I14-F30 HydrophobicContact CG2-CE1 4.12Å; I14-F30 HydrophobicContact CG2-CE2 3.88Å; I14-F30 HydrophobicContact CG2-CZ 3.46Å; I14-F30 VanDerWaalsContact CG2-CZ 3.46Å |
| 15 | I | 64.3 | Low | 57.9 | Low | 119 Ų | 119 | 101.7 Ų | 101.7 | 61% | 0.61 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.4 | -41.6 | 178 | -64 | 165.4 | 0 | 0 | 0 | 111 | L11 V12 S18 A19 | L11-I15 WeakPolarHBondContact O-CG1 3.48Å; L11-I15 PolarHBondContact O-N 2.62Å; V12-I15 PolarHBondContact O-N 2.97Å; I15-S18 PolarHBondContact O-N 3.27Å; I15-A19 WeakPolarHBondContact O-CB 3.19Å; I15-A19 PolarHBondContact O-N 3.42Å |
| 16 | H | 61 | Low | 57.3 | Low | 126 Ų | 126 | 102.8 Ų | 102.8 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -37.5 | -179.8 | -168.8 | 46.1 | 0 | 0 | 0 | 112.3 | V12 A13 I14 A19 K20 | V12-H16 VanDerWaalsContact O-CB 3.28Å; V12-H16 WeakPolarHBondContact O-CB 3.31Å; V12-H16 PolarHBondContact O-N 3.02Å; A13-H16 PolarHBondContact O-N 3.14Å; I14-H16 PolarHBondContact O-N 3.33Å; H16-A19 PolarHBondContact O-N 3.45Å; H16-K20 WeakPolarHBondContact O-CB 3.35Å; H16-K20 PolarHBondContact O-N 3.17Å |
| 17 | V | 56.7 | Low | 56.6 | Low | 70 Ų | 70 | 101.8 Ų | 101.8 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -39.6 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 111 | A13 I14 K20 R21 | A13-V17 WeakPolarHBondContact O-CB 3.41Å; A13-V17 WeakPolarHBondContact O-CG2 3.39Å; A13-V17 PolarHBondContact O-N 3.46Å; I14-V17 PolarHBondContact O-N 3.46Å; V17-K20 PolarHBondContact O-N 3.28Å; V17-R21 WeakPolarHBondContact O-CG 3.32Å; V17-R21 PolarHBondContact O-N 3.17Å; V17-R21 VanDerWaalsContact O-N 3.14Å |
| 18 | S | 50.3 | Low | 55.9 | Low | 41 Ų | 41 | 102 Ų | 102 | 29% | 0.287 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.3 | -41.4 | 174.4 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | I14 I15 K20 R21 N22 | I14-S18 PolarHBondContact O-N 3.43Å; I14-S18 PolarHBondContact O-OG 3.43Å; I15-S18 PolarHBondContact O-N 3.27Å; S18-K20 PolarHBondContact O-N 3.5Å; S18-R21 PolarHBondContact O-N 2.99Å; S18-N22 PolarHBondContact O-N 2.94Å |
| 19 | A | 51.3 | Low | 55.3 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I15 H16 R21 N22 | I15-A19 WeakPolarHBondContact O-CB 3.19Å; I15-A19 PolarHBondContact O-N 3.42Å; H16-A19 PolarHBondContact O-N 3.45Å; A19-R21 VanDerWaalsContact C-N 3.35Å; A19-N22 PolarHBondContact O-N 2.84Å |
| 20 | K | 52.3 | Low | 54.6 | Low | 168 Ų | 168 | 96.9 Ų | 96.9 | 73% | 0.73 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -75.9 | -20.1 | 178.7 | -165.4 | 165.9 | -176.8 | 173.2 | 0 | 113.6 | H16 V17 S18 | H16-K20 WeakPolarHBondContact O-CB 3.35Å; H16-K20 PolarHBondContact O-N 3.17Å; V17-K20 PolarHBondContact O-N 3.28Å; S18-K20 PolarHBondContact O-N 3.5Å |
| 21 | R | 46.9 | Very low | 53.8 | Low | 169 Ų | 169 | 99 Ų | 99 | 64% | 0.638 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -91.6 | -6.4 | 174.7 | -72 | -177.1 | 174.6 | 166.1 | -0.1 | 113.7 | V17 S18 A19 T23 | V17-R21 WeakPolarHBondContact O-CG 3.32Å; V17-R21 PolarHBondContact O-N 3.17Å; V17-R21 VanDerWaalsContact O-N 3.14Å; S18-R21 PolarHBondContact O-N 2.99Å; A19-R21 VanDerWaalsContact C-N 3.35Å; R21-T23 PolarHBondContact O-N 3.28Å |
| 22 | N | 48 | Very low | 53.1 | Low | 116 Ų | 116 | 100 Ų | 100 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 25.8 | -172.8 | -150.2 | 25.8 | 0 | 0 | 0 | 115.3 | S18 A19 | S18-N22 PolarHBondContact O-N 2.94Å; A19-N22 PolarHBondContact O-N 2.84Å |
| 23 | T | 49.1 | Very low | 52.2 | Low | 131 Ų | 131 | 100.8 Ų | 100.8 | 80% | 0.804 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 3 | 169.5 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | R21 | R21-T23 PolarHBondContact O-N 3.28Š|
| 24 | T | 47 | Very low | 51.4 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -149.2 | 98 | 178.6 | 36.8 | 0 | 0 | 0 | 0 | 108.1 | D26 | T24-D26 WeakPolarHBondContact O-CB 3.5Å; T24-D26 PolarHBondContact O-N 3.45Å |
| 25 | E | 49.5 | Very low | 50.9 | Low | 194 Ų | 194 | 104.9 Ų | 104.9 | 91% | 0.907 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 32.6 | 12.1 | 155.8 | -54.1 | -167.3 | 140.2 | 0 | 0 | 122.1 | S27 | E25-S27 PolarHBondContact O-N 2.97Š|
| 26 | D | 45.1 | Very low | 50.1 | Low | 95 Ų | 95 | 101.3 Ų | 101.3 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | | | trans | -103.9 | 85 | -169.1 | -73 | -25.1 | 0 | 0 | 0 | 110.3 | T24 V28 | T24-D26 WeakPolarHBondContact O-CB 3.5Å; T24-D26 PolarHBondContact O-N 3.45Å; D26-V28 PolarHBondContact O-N 2.87Å |
| 27 | S | 45.4 | Very low | 49.7 | Very low | 91 Ų | 91 | 97 Ų | 97 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | | | trans | -75.8 | 99.1 | 174.1 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | E25 G29 | E25-S27 PolarHBondContact O-N 2.97Å; S27-G29 PolarHBondContact O-N 3.36Å |
| 28 | V | 49.4 | Very low | 49.4 | Very low | 56 Ų | 56 | 97.5 Ų | 97.5 | 34% | 0.339 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 103.8 | 164.3 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | D26 F30 | D26-V28 PolarHBondContact O-N 2.87Å; V28-F30 HydrophobicContact CB-CE2 4.25Å; V28-F30 HydrophobicContact CG1-CD2 4.36Å; V28-F30 HydrophobicContact CG1-CE1 4.31Å; V28-F30 HydrophobicContact CG1-CE2 3.63Å; V28-F30 HydrophobicContact CG1-CZ 3.61Å |
| 29 | G | 51.2 | Low | 49.3 | Very low | 36 Ų | 36 | 98.5 Ų | 98.5 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S27 | S27-G29 PolarHBondContact O-N 3.36Å |
| 30 | F | 52.5 | Low | 49.3 | Very low | 81 Ų | 81 | 97.9 Ų | 97.9 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.2 | 168.7 | -62.7 | -83.8 | 0 | 0 | 0 | 108.6 | I14 V28 L32 V40 | I14-F30 HydrophobicContact CG2-CE1 4.12Å; I14-F30 HydrophobicContact CG2-CE2 3.88Å; I14-F30 HydrophobicContact CG2-CZ 3.46Å; I14-F30 VanDerWaalsContact CG2-CZ 3.46Å; V28-F30 HydrophobicContact CB-CE2 4.25Å; V28-F30 HydrophobicContact CG1-CD2 4.36Å; V28-F30 HydrophobicContact CG1-CE1 4.31Å; V28-F30 HydrophobicContact CG1-CE2 3.63Å; V28-F30 HydrophobicContact CG1-CZ 3.61Å; F30-L32 HydrophobicContact CB-CD1 4.19Å; F30-V40 HydrophobicContact CD1-CG2 4.26Å; F30-V40 HydrophobicContact CE1-CG1 4.28Å; F30-V40 HydrophobicContact CE1-CG2 4.24Å |
| 31 | N | 50.1 | Low | 49.2 | Very low | 122 Ų | 122 | 93 Ų | 93 | 65% | 0.652 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 103.5 | 172.4 | -122.7 | -22.2 | 0 | 0 | 0 | 108.7 | L38 | N31-L38 PolarHBondContact O-N 3.5Å; N31-L38 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 51.9 | Low | 49.4 | Very low | 106 Ų | 106 | 89.4 Ų | 89.4 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.1 | 173.4 | -77.4 | 108.4 | 0 | 0 | 0 | 109.7 | F30 H36 V37 | F30-L32 HydrophobicContact CB-CD1 4.19Å; L32-H36 WeakPolarHBondContact CA-O 3.37Å; L32-V37 HydrophobicContact CG-CG2 4.43Å |
| 33 | H | 47.3 | Very low | 49.5 | Very low | 112 Ų | 112 | 89.7 Ų | 89.7 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.1 | 168.6 | -175.3 | -97.9 | 0 | 0 | 0 | 108.4 | G35 H36 L38 | H33-G35 VanDerWaalsContact C-N 3.28Å; H33-G35 PolarHBondContact O-N 3.06Å; H33-H36 PolarHBondContact N-O 3.31Å; H33-H36 WeakPolarHBondContact O-CB 3.32Å; H33-H36 PolarHBondContact O-N 2.95Å; H33-L38 HydrophobicContact CB-CD1 3.36Å; H33-L38 HydrophobicContact CB-CG 4.11Å |
| 34 | N | 46.8 | Very low | 49.5 | Very low | 150 Ų | 150 | 89.1 Ų | 89.1 | 80% | 0.802 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 38.7 | -179.1 | -65.2 | -12.2 | 0 | 0 | 0 | 114.9 | H36 | N34-H36 PolarHBondContact O-N 3.48Š|
| 35 | G | 53.2 | Low | 49.6 | Very low | 65 Ų | 65 | 94.4 Ų | 94.4 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 1.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H33 | H33-G35 VanDerWaalsContact C-N 3.28Å; H33-G35 PolarHBondContact O-N 3.06Å |
| 36 | H | 47 | Very low | 49.5 | Very low | 44 Ų | 44 | 93.9 Ų | 93.9 | 20% | 0.204 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.4 | 175.5 | -137.8 | -86.1 | 0 | 0 | 0 | 110.3 | L32 H33 N34 L38 F83 I84 | L32-H36 WeakPolarHBondContact CA-O 3.37Å; H33-H36 PolarHBondContact N-O 3.31Å; H33-H36 WeakPolarHBondContact O-CB 3.32Å; H33-H36 PolarHBondContact O-N 2.95Å; N34-H36 PolarHBondContact O-N 3.48Å; H36-L38 PolarHBondContact O-N 3.49Å; H36-F83 AromaticContact CE1-CE1 3.77Å; H36-I84 PolarHBondContact CE1-O 3.3Å; H36-I84 PolarHBondContact NE2-O 3.24Å |
| 37 | V | 53.1 | Low | 49.8 | Very low | 37 Ų | 37 | 92.6 Ų | 92.6 | 22% | 0.224 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 104.4 | 168.5 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | L32 V40 | L32-V37 HydrophobicContact CG-CG2 4.43Å; V37-V40 HydrophobicContact CG1-CG2 3.8Å |
| 38 | L | 50.8 | Low | 49.9 | Very low | 80 Ų | 80 | 96.9 Ų | 96.9 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -26.8 | -176.1 | -78 | 176.4 | 0 | 0 | 0 | 112.6 | N31 H33 H36 | N31-L38 PolarHBondContact O-N 3.5Å; N31-L38 VanDerWaalsContact O-N 3.1Å; H33-L38 HydrophobicContact CB-CD1 3.36Å; H33-L38 HydrophobicContact CB-CG 4.11Å; H36-L38 PolarHBondContact O-N 3.49Å |
| 39 | N | 47 | Very low | 50.2 | Low | 61 Ų | 61 | 103.3 Ų | 103.3 | 33% | 0.326 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -162 | 136.6 | -178.3 | -157.1 | 7.2 | 0 | 0 | 0 | 111 | T41 | N39-T41 WeakPolarHBondContact ND2-CG2 3.38Å |
| 40 | V | 52.2 | Low | 50.3 | Low | 54 Ų | 54 | 111 Ų | 111 | 33% | 0.327 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 96.2 | 168.9 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | F30 V37 | F30-V40 HydrophobicContact CD1-CG2 4.26Å; F30-V40 HydrophobicContact CE1-CG1 4.28Å; F30-V40 HydrophobicContact CE1-CG2 4.24Å; V37-V40 HydrophobicContact CG1-CG2 3.8Å |
| 41 | T | 49.8 | Very low | 50.1 | Low | 66 Ų | 66 | 112.9 Ų | 112.9 | 41% | 0.405 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 109.1 | 173.6 | 42.9 | 0 | 0 | 0 | 0 | 109 | N39 | N39-T41 WeakPolarHBondContact ND2-CG2 3.38Å |
| 42 | N | 50.1 | Low | 50.2 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 110.1 | 170.4 | -159 | -4.8 | 0 | 0 | 0 | 108.4 | L44 | N42-L44 HydrophobicContact CB-CG 4.25Å; N42-L44 WeakPolarHBondContact ND2-CD1 3.49Å; N42-L44 VanDerWaalsContact ND2-CG 3.29Å; N42-L44 WeakPolarHBondContact ND2-CG 3.37Å; N42-L44 PolarHBondContact O-N 3.36Å; N42-L44 WeakPolarHBondContact OD1-CD2 3.45Å; N42-L44 WeakPolarHBondContact OD1-CG 3.36Å |
| 43 | N | 51 | Low | 50.4 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | | | trans | -80.6 | 52.5 | 173.2 | -71.2 | -37.3 | 0 | 0 | 0 | 110.1 | K45 | N43-K45 VanDerWaalsContact C-N 3.34Å; N43-K45 PolarHBondContact O-N 3.01Å |
| 44 | L | 48.6 | Very low | 50.9 | Low | 120 Ų | 120 | 112.8 Ų | 112.8 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | | | trans | -63.6 | 102.9 | 169.9 | -62.2 | 176.2 | 0 | 0 | 0 | 106.7 | N42 E46 | N42-L44 HydrophobicContact CB-CG 4.25Å; N42-L44 WeakPolarHBondContact ND2-CD1 3.49Å; N42-L44 VanDerWaalsContact ND2-CG 3.29Å; N42-L44 WeakPolarHBondContact ND2-CG 3.37Å; N42-L44 PolarHBondContact O-N 3.36Å; N42-L44 WeakPolarHBondContact OD1-CD2 3.45Å; N42-L44 WeakPolarHBondContact OD1-CG 3.36Å; L44-E46 PolarHBondContact O-N 3.05Å |
| 45 | K | 49.7 | Very low | 51.7 | Low | 198 Ų | 198 | 110.5 Ų | 110.5 | 86% | 0.861 | 62% | 0.623 | S | S | * | * | | | trans | -60 | 103.1 | 145.1 | -80.7 | 179.8 | 178.9 | 171.2 | 0 | 104 | N43 G47 | N43-K45 VanDerWaalsContact C-N 3.34Å; N43-K45 PolarHBondContact O-N 3.01Å; K45-G47 PolarHBondContact O-N 3.38Å |
| 46 | E | 47.1 | Very low | 51.8 | Low | 184 Ų | 184 | 115.3 Ų | 115.3 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | | | trans | -48.8 | 104.6 | 158.9 | -113.9 | -179.2 | 170.4 | 0 | 0 | 104.8 | L44 E48 | L44-E46 PolarHBondContact O-N 3.05Å; E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.04Å |
| 47 | G | 51 | Low | 52.5 | Low | 68 Ų | 68 | 121.9 Ų | 121.9 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | | | trans | -57.5 | 105.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | K45 K49 | K45-G47 PolarHBondContact O-N 3.38Å; G47-K49 VanDerWaalsContact C-N 3.31Å; G47-K49 PolarHBondContact O-N 3.16Å |
| 48 | E | 47.8 | Very low | 52.8 | Low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | | | trans | -53.2 | 104.4 | 166.9 | -89.8 | -173.3 | 136.1 | 0 | 0 | 105.7 | E46 K50 | E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.04Å; E48-K50 PolarHBondContact O-N 3.05Å |
| 49 | K | 55 | Low | 52.9 | Low | 190 Ų | 190 | 131.5 Ų | 131.5 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | | | trans | -59.6 | 96 | 164.2 | -79.3 | -174.8 | 176.5 | -179.4 | 0 | 106 | G47 T51 | G47-K49 VanDerWaalsContact C-N 3.31Å; G47-K49 PolarHBondContact O-N 3.16Å; K49-T51 PolarHBondContact O-N 3.35Å |
| 50 | K | 54 | Low | 53.8 | Low | 198 Ų | 198 | 138.4 Ų | 138.4 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | | | trans | -63.4 | 86.8 | 159.8 | -74.7 | -170.6 | 178.1 | -178.7 | 0 | 106.8 | E48 G52 | E48-K50 PolarHBondContact O-N 3.05Å; K50-G52 PolarHBondContact O-N 3.5Å; K50-G52 VanDerWaalsContact O-N 3.09Å |
| 51 | T | 48.9 | Very low | 54.1 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -78 | 84.2 | 161.4 | 27.8 | 0 | 0 | 0 | 0 | 106.3 | K49 S53 | K49-T51 PolarHBondContact O-N 3.35Å; T51-S53 PolarHBondContact O-N 2.97Å |
| 52 | G | 50.7 | Low | 54.6 | Low | 71 Ų | 71 | 144.6 Ų | 144.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -73.4 | 105.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | K50 | K50-G52 PolarHBondContact O-N 3.5Å; K50-G52 VanDerWaalsContact O-N 3.09Å |
| 53 | S | 57.2 | Low | 55.3 | Low | 102 Ų | 102 | 150.6 Ų | 150.6 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | -131.6 | 88.1 | 165.9 | -61.8 | 0 | 0 | 0 | 0 | 106.6 | T51 S55 | T51-S53 PolarHBondContact O-N 2.97Å; S53-S55 VanDerWaalsContact C-N 3.26Å; S53-S55 PolarHBondContact O-N 3.43Å |
| 54 | D | 58.2 | Low | 55.5 | Low | 165 Ų | 165 | 148.8 Ų | 148.8 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | | | trans | -67 | 88 | 165.7 | -77.7 | -37.5 | 0 | 0 | 0 | 108.2 | N56 | D54-N56 PolarHBondContact O-N 3.11Š|
| 55 | S | 62.5 | Low | 56.4 | Low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | | | trans | -91.5 | 89.3 | 161.8 | 58.5 | 0 | 0 | 0 | 0 | 108.3 | S53 E57 | S53-S55 VanDerWaalsContact C-N 3.26Å; S53-S55 PolarHBondContact O-N 3.43Å; S55-E57 VanDerWaalsContact C-N 3.32Å; S55-E57 PolarHBondContact O-N 3.35Å |
| 56 | N | 55.6 | Low | 57.3 | Low | 165 Ų | 165 | 150.3 Ų | 150.3 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | | | trans | -71 | 86.7 | 167.3 | -98.6 | -17.5 | 0 | 0 | 0 | 109.4 | D54 | D54-N56 PolarHBondContact O-N 3.11Š|
| 57 | E | 62.1 | Low | 58.2 | Low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | | | trans | -109.2 | 100.1 | 168 | -90.5 | -166.5 | 149.2 | 0 | 0 | 112 | S55 | S55-E57 VanDerWaalsContact C-N 3.32Å; S55-E57 PolarHBondContact O-N 3.35Å |
| 58 | R | 60.4 | Low | 59.1 | Low | 247 Ų | 247 | 158.4 Ų | 158.4 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | | | trans | 36.2 | 111.8 | 135.5 | -142.8 | 171.1 | -164.2 | 171.5 | 3.6 | 118.3 | | |
| 59 | G | 52.3 | Low | 59.5 | Low | 73 Ų | 73 | 153.6 Ų | 153.6 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | -64.6 | 163.3 | -175 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 60 | K | 64.6 | Low | 60.2 | Low | 205 Ų | 205 | 151.1 Ų | 151.1 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | | | trans | -140.6 | 128.6 | 148.9 | -72.9 | -173.3 | 178.1 | 175 | 0 | 108.1 | G62 | K60-G62 PolarHBondContact O-N 3.37Å; K60-G62 VanDerWaalsContact O-N 3.12Å |
| 61 | N | 60.2 | Low | 60.8 | Low | 180 Ų | 180 | 150.3 Ų | 150.3 | 96% | 0.963 | 83% | 0.831 | S | S | * | * | | | trans | -57 | 110.8 | 177.6 | -67.2 | -23.5 | 0 | 0 | 0 | 110.5 | | |
| 62 | G | 59.3 | Low | 61.6 | Low | 70 Ų | 70 | 155.9 Ų | 155.9 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | | | trans | -116.1 | 112.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K60 G64 | K60-G62 PolarHBondContact O-N 3.37Å; K60-G62 VanDerWaalsContact O-N 3.12Å; G62-G64 PolarHBondContact O-N 3.1Å |
| 63 | K | 64.3 | Low | 62.4 | Low | 219 Ų | 219 | 158.8 Ų | 158.8 | 95% | 0.952 | 84% | 0.842 | S | S | * | * | | | trans | -51.5 | 131.8 | 173.6 | -76.7 | 177 | 175.1 | 176.3 | 0 | 110.4 | | |
| 64 | G | 55.4 | Low | 62.9 | Low | 83 Ų | 83 | 162.9 Ų | 162.9 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | | | trans | -63.1 | 139.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G62 | G62-G64 PolarHBondContact O-N 3.1Š|
| 65 | N | 69.3 | Low | 63.2 | Low | 142 Ų | 142 | 161 Ų | 161 | 76% | 0.759 | 84% | 0.844 | S | S | * | * | | | trans | -123.7 | 109.8 | 157.6 | -168.4 | 13.8 | 0 | 0 | 0 | 107.6 | R67 | N65-R67 PolarHBondContact O-N 3.35Š|
| 66 | K | 66.8 | Low | 63.4 | Low | 208 Ų | 208 | 159.2 Ų | 159.2 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | | | trans | -72.4 | 89.5 | -174.7 | -165.2 | 174.1 | -173.8 | 175.4 | 0 | 109.1 | K68 | K66-K68 PolarHBondContact O-N 2.97Š|
| 67 | R | 65.9 | Low | 63.6 | Low | 223 Ų | 223 | 157.4 Ų | 157.4 | 84% | 0.842 | 84% | 0.842 | S | S | * | * | | | trans | -68.7 | 125.7 | 173.2 | -74 | -178.3 | 169.4 | 170.5 | -3 | 109.3 | N65 G69 | N65-R67 PolarHBondContact O-N 3.35Å; R67-G69 PolarHBondContact O-N 2.91Å |
| 68 | K | 71.5 | Confident | 63.1 | Low | 200 Ų | 200 | 157.6 Ų | 157.6 | 87% | 0.87 | 84% | 0.84 | S | S | * | * | | | trans | -57.8 | 128 | 172.2 | -69.2 | -171.2 | 176.8 | -177.3 | 0 | 108.5 | K66 V70 | K66-K68 PolarHBondContact O-N 2.97Å; K68-V70 PolarHBondContact O-N 3.24Å |
| 69 | G | 54.8 | Low | 62.7 | Low | 79 Ų | 79 | 151.4 Ų | 151.4 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | | | trans | -59.8 | 110.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R67 Q71 | R67-G69 PolarHBondContact O-N 2.91Å; G69-Q71 PolarHBondContact O-N 2.93Å |
| 70 | V | 69.5 | Low | 62.4 | Low | 139 Ų | 139 | 154.8 Ų | 154.8 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | | | trans | -73.8 | 114 | 167.6 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | K68 R72 | K68-V70 PolarHBondContact O-N 3.24Å; V70-R72 PolarHBondContact O-N 3.12Å; V70-R72 VanDerWaalsContact O-N 3.14Å |
| 71 | Q | 67.9 | Low | 61.6 | Low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | -64.3 | 113.6 | 176.1 | -162.3 | 162.4 | 41.1 | 0 | 0 | 108.4 | G69 V73 | G69-Q71 PolarHBondContact O-N 2.93Å; Q71-V73 PolarHBondContact O-N 3.37Å; Q71-V73 VanDerWaalsContact O-N 3.14Å |
| 72 | R | 65 | Low | 61 | Low | 237 Ų | 237 | 148.3 Ų | 148.3 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -73.1 | 104.7 | 179.6 | -155.9 | 179 | -160.6 | -140.3 | 4.8 | 108 | V70 K74 | V70-R72 PolarHBondContact O-N 3.12Å; V70-R72 VanDerWaalsContact O-N 3.14Å; R72-K74 PolarHBondContact O-N 3.04Å |
| 73 | V | 68.6 | Low | 60.5 | Low | 132 Ų | 132 | 151.4 Ų | 151.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 125.7 | 172.8 | -162.5 | 0 | 0 | 0 | 0 | 107.6 | Q71 | Q71-V73 PolarHBondContact O-N 3.37Å; Q71-V73 VanDerWaalsContact O-N 3.14Å |
| 74 | K | 67.8 | Low | 59.9 | Low | 188 Ų | 188 | 145.8 Ų | 145.8 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 135.8 | 175.2 | -68.6 | -175.9 | 177.8 | -177.9 | 0 | 108.9 | R72 G76 | R72-K74 PolarHBondContact O-N 3.04Å; K74-G76 PolarHBondContact O-N 3.18Å |
| 75 | P | 63.9 | Low | 59.3 | Low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 126.8 | 174.1 | 25.2 | -31.1 | 0 | 0 | 0 | 109 | | |
| 76 | G | 66.9 | Low | 57.9 | Low | 65 Ų | 65 | 147.2 Ų | 147.2 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 139.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K74 K78 | K74-G76 PolarHBondContact O-N 3.18Å; G76-K78 PolarHBondContact O-N 2.96Å |
| 77 | S | 58.3 | Low | 56.9 | Low | 126 Ų | 126 | 146.9 Ų | 146.9 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.9 | 174.8 | -2.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 78 | K | 53.3 | Low | 56.4 | Low | 186 Ų | 186 | 143.1 Ų | 143.1 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | | | trans | -82.2 | 114.4 | 170.5 | -68.5 | -178.5 | -179.7 | 178 | 0 | 108.5 | G76 F80 | G76-K78 PolarHBondContact O-N 2.96Å; K78-F80 HydrophobicContact CB-CE2 4.29Å |
| 79 | S | 51.4 | Low | 55.6 | Low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -91.8 | 131.3 | 166.8 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 80 | F | 46.1 | Very low | 55.7 | Low | 145 Ų | 145 | 143.5 Ų | 143.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -103.6 | 127.1 | 170.2 | -70.5 | -86.9 | 0 | 0 | 0 | 108.3 | K78 Y82 | K78-F80 HydrophobicContact CB-CE2 4.29Å; F80-Y82 HydrophobicContact CB-CE2 4.11Å |
| 81 | S | 46.7 | Very low | 54.8 | Low | 81 Ų | 81 | 143.8 Ų | 143.8 | 57% | 0.566 | 75% | 0.753 | S | S | * | * | | | trans | -106.4 | 128.8 | 168.2 | 168.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 82 | Y | 48.5 | Very low | 54 | Low | 168 Ų | 168 | 141.4 Ų | 141.4 | 66% | 0.659 | 75% | 0.747 | S | S | * | * | | | trans | -109.4 | 129.2 | 170.4 | -65.1 | -82.6 | 0 | 0 | 0 | 108.4 | F80 | F80-Y82 HydrophobicContact CB-CE2 4.11Š|
| 83 | F | 49.2 | Very low | 53.3 | Low | 135 Ų | 135 | 135.1 Ų | 135.1 | 59% | 0.592 | 74% | 0.738 | S | S | * | * | | | trans | -98.6 | 114.7 | 172.9 | -145.5 | -98.3 | 0 | 0 | 0 | 108 | H36 | H36-F83 AromaticContact CE1-CE1 3.77Š|
| 84 | I | 51.7 | Low | 52.2 | Low | 101 Ų | 101 | 135.3 Ų | 135.3 | 52% | 0.518 | 73% | 0.733 | S | S | . | * | | | trans | -98.9 | 113.7 | 175.4 | -57.1 | 174.5 | 0 | 0 | 0 | 107.3 | H36 L86 | H36-I84 PolarHBondContact CE1-O 3.3Å; H36-I84 PolarHBondContact NE2-O 3.24Å; I84-L86 HydrophobicContact CG2-CD1 4.03Å |
| 85 | H | 43.3 | Very low | 51 | Low | 149 Ų | 149 | 131.2 Ų | 131.2 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | | | trans | -83.6 | 115.8 | 171.4 | -130.5 | -86.9 | 0 | 0 | 0 | 108.5 | | |
| 86 | L | 39.3 | Very low | 49.9 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 56% | 0.555 | 72% | 0.719 | S | S | * | * | | | trans | -93.6 | 108.8 | 164.6 | -79 | 96.7 | 0 | 0 | 0 | 108 | I84 | I84-L86 HydrophobicContact CG2-CD1 4.03Š|
| 87 | T | 44.6 | Very low | 48.4 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 100% | 1.233 | 72% | 0.723 | S | S | * | * | | | trans | -77.6 | 0 | 159.5 | 35.7 | 0 | 0 | 0 | 0 | 110.9 | | |