| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 57 | Low | 58.9 | Low | 253 Ų | 253 | 102.3 Ų | 102.3 | 100% | 1.246 | 63% | 0.628 | S | S | * | * | 0 | 88.6 | 0 | -67.5 | -154.6 | -101.6 | 0 | 0 | 109.2 | |||||
| 2 | G | 56.9 | Low | 59.2 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | trans | -163.1 | -5.8 | -173 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3 | A | 56.9 | Low | 60.1 | Low | 65 Ų | 65 | 110.2 Ų | 110.2 | 54% | 0.537 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -98.2 | -22.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 4 | F | 54.6 | Low | 60.9 | Low | 170 Ų | 170 | 110.9 Ų | 110.9 | 75% | 0.746 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -77.6 | -27.6 | -176.8 | -69.8 | -78.3 | 0 | 0 | 0 | 113.5 | V8 | F4-V8 WeakPolarHBondContact O-CG2 3.11Å; F4-V8 PolarHBondContact O-N 3.13Å |
| 5 | G | 55.8 | Low | 61.4 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.2 | -32.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G9 | G5-G9 PolarHBondContact O-N 2.76Å; G5-G9 VanDerWaalsContact O-N 3.12Å |
| 6 | V | 58.7 | Low | 61.8 | Low | 99 Ų | 99 | 105.6 Ų | 105.6 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.4 | -39.8 | -177.8 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | G9 T10 | V6-G9 PolarHBondContact O-N 3.03Å; V6-T10 PolarHBondContact O-N 3.44Å; V6-T10 PolarHBondContact O-OG1 3.33Å |
| 7 | I | 59.3 | Low | 62.3 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 51% | 0.508 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.3 | -37.5 | 179.2 | -60.7 | 169 | 0 | 0 | 0 | 111 | T10 L11 | I7-T10 PolarHBondContact O-OG1 3.23Å; I7-L11 HydrophobicContact CG2-CD1 4.31Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 2.74Å |
| 8 | V | 60.5 | Low | 62.6 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 47% | 0.473 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68 | -41.7 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | F4 T10 L11 H12 | F4-V8 WeakPolarHBondContact O-CG2 3.11Å; F4-V8 PolarHBondContact O-N 3.13Å; V8-T10 PolarHBondContact O-N 3.45Å; V8-L11 PolarHBondContact O-N 2.86Å; V8-H12 VanDerWaalsContact CG1-CE1 3.45Å; V8-H12 WeakPolarHBondContact CG1-CE1 3.35Å; V8-H12 PolarHBondContact O-N 2.97Å; V8-H12 PolarHBondContact O-ND1 2.78Å |
| 9 | G | 60 | Low | 62.5 | Low | 42 Ų | 42 | 110.1 Ų | 110.1 | 43% | 0.433 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.2 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | G5 V6 H12 Y13 | G5-G9 PolarHBondContact O-N 2.76Å; G5-G9 VanDerWaalsContact O-N 3.12Å; V6-G9 PolarHBondContact O-N 3.03Å; G9-H12 PolarHBondContact O-N 2.88Å; G9-Y13 PolarHBondContact O-N 2.8Å; G9-Y13 VanDerWaalsContact O-N 3.1Å |
| 10 | T | 64.5 | Low | 62.3 | Low | 79 Ų | 79 | 110.6 Ų | 110.6 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.1 | -35.1 | 178.5 | 47.7 | 0 | 0 | 0 | 0 | 113 | V6 I7 V8 Y13 M14 | V6-T10 PolarHBondContact O-N 3.44Å; V6-T10 PolarHBondContact O-OG1 3.33Å; I7-T10 PolarHBondContact O-OG1 3.23Å; V8-T10 PolarHBondContact O-N 3.45Å; T10-Y13 PolarHBondContact O-N 2.89Å; T10-M14 WeakPolarHBondContact O-CG 3.45Å; T10-M14 PolarHBondContact O-N 2.87Å |
| 11 | L | 63.6 | Low | 62.1 | Low | 117 Ų | 117 | 108 Ų | 108 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.3 | -39.7 | 174.8 | -74 | 167.7 | 0 | 0 | 0 | 112.3 | I7 V8 M14 G15 | I7-L11 HydrophobicContact CG2-CD1 4.31Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 2.74Å; V8-L11 PolarHBondContact O-N 2.86Å; L11-M14 PolarHBondContact O-N 2.8Å; L11-G15 PolarHBondContact O-N 3.26Å |
| 12 | H | 62.7 | Low | 61.9 | Low | 133 Ų | 133 | 99 Ų | 99 | 62% | 0.616 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.7 | -37.7 | 175.9 | -71.9 | 77.1 | 0 | 0 | 0 | 111.7 | V8 G9 G15 L16 | V8-H12 VanDerWaalsContact CG1-CE1 3.45Å; V8-H12 WeakPolarHBondContact CG1-CE1 3.35Å; V8-H12 PolarHBondContact O-N 2.97Å; V8-H12 PolarHBondContact O-ND1 2.78Å; G9-H12 PolarHBondContact O-N 2.88Å; H12-G15 PolarHBondContact O-N 3.03Å; H12-L16 PolarHBondContact O-N 3.33Å |
| 13 | Y | 70.5 | Confident | 61.7 | Low | 175 Ų | 175 | 100.5 Ų | 100.5 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -39.8 | 177.1 | -155.3 | -92.7 | 0 | 0 | 0 | 112.2 | G9 T10 L16 Y17 | G9-Y13 PolarHBondContact O-N 2.8Å; G9-Y13 VanDerWaalsContact O-N 3.1Å; T10-Y13 PolarHBondContact O-N 2.89Å; Y13-L16 PolarHBondContact O-N 2.74Å; Y13-Y17 WeakPolarHBondContact O-CB 3.39Å; Y13-Y17 PolarHBondContact O-N 2.8Å |
| 14 | M | 71.9 | Confident | 61.4 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.1 | -39.6 | 173.3 | -72.2 | -61.8 | -162.8 | 0 | 0 | 112.2 | T10 L11 Y17 I18 | T10-M14 WeakPolarHBondContact O-CG 3.45Å; T10-M14 PolarHBondContact O-N 2.87Å; L11-M14 PolarHBondContact O-N 2.8Å; M14-Y17 PolarHBondContact O-N 3.25Å; M14-I18 VanDerWaalsContact O-CG1 3.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 3.42Å |
| 15 | G | 68.7 | Low | 61.4 | Low | 34 Ų | 34 | 105 Ų | 105 | 35% | 0.351 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.7 | -44.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L11 H12 I18 Q19 | L11-G15 PolarHBondContact O-N 3.26Å; H12-G15 PolarHBondContact O-N 3.03Å; G15-I18 PolarHBondContact O-N 2.85Å; G15-Q19 WeakPolarHBondContact O-CG 3.29Å; G15-Q19 PolarHBondContact O-N 2.64Å |
| 16 | L | 67.4 | Low | 61.1 | Low | 104 Ų | 104 | 111 Ų | 111 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -39.2 | 176.3 | -153.1 | 95.7 | 0 | 0 | 0 | 111.6 | H12 Y13 Q19 L20 | H12-L16 PolarHBondContact O-N 3.33Å; Y13-L16 PolarHBondContact O-N 2.74Å; L16-Q19 PolarHBondContact O-N 2.83Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 PolarHBondContact O-N 3.15Å |
| 17 | Y | 70.2 | Confident | 60.2 | Low | 158 Ų | 158 | 110.5 Ų | 110.5 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.1 | -42 | 176.5 | -173.3 | -97.9 | 0 | 0 | 0 | 112.2 | Y13 M14 L20 S21 | Y13-Y17 WeakPolarHBondContact O-CB 3.39Å; Y13-Y17 PolarHBondContact O-N 2.8Å; M14-Y17 PolarHBondContact O-N 3.25Å; Y17-L20 PolarHBondContact O-N 3.02Å; Y17-S21 PolarHBondContact O-N 3.48Å; Y17-S21 PolarHBondContact O-OG 3.01Å |
| 18 | I | 68.3 | Low | 59.1 | Low | 112 Ų | 112 | 109.3 Ų | 109.3 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 176.4 | -65.8 | 170.2 | 0 | 0 | 0 | 111 | M14 G15 S21 A22 | M14-I18 VanDerWaalsContact O-CG1 3.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.49Å; M14-I18 PolarHBondContact O-N 3.42Å; G15-I18 PolarHBondContact O-N 2.85Å; I18-S21 WeakPolarHBondContact CA-OG 3.3Å; I18-S21 PolarHBondContact O-N 2.82Å; I18-S21 PolarHBondContact O-OG 2.89Å; I18-A22 WeakPolarHBondContact O-CB 3.4Å; I18-A22 PolarHBondContact O-N 3.5Å |
| 19 | Q | 60 | Low | 58.3 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.1 | -37.1 | 175.1 | -75.9 | -172.5 | -36.7 | 0 | 0 | 113.1 | G15 L16 S21 A22 S23 | G15-Q19 WeakPolarHBondContact O-CG 3.29Å; G15-Q19 PolarHBondContact O-N 2.64Å; L16-Q19 PolarHBondContact O-N 2.83Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; Q19-A22 PolarHBondContact O-N 2.77Å; Q19-S23 WeakPolarHBondContact O-CB 3.28Å; Q19-S23 PolarHBondContact O-N 2.74Å; Q19-S23 PolarHBondContact O-OG 3.08Å |
| 20 | L | 57.9 | Low | 57.8 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.1 | -36 | 174.4 | -124 | 76.9 | 0 | 0 | 0 | 111.8 | L16 Y17 | L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 PolarHBondContact O-N 3.15Å; Y17-L20 PolarHBondContact O-N 3.02Å |
| 21 | S | 58 | Low | 56.9 | Low | 58 Ų | 58 | 121.1 Ų | 121.1 | 41% | 0.406 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -79.7 | -18.4 | 177 | 39.8 | 0 | 0 | 0 | 0 | 113.8 | Y17 I18 Q19 T24 | Y17-S21 PolarHBondContact O-N 3.48Å; Y17-S21 PolarHBondContact O-OG 3.01Å; I18-S21 WeakPolarHBondContact CA-OG 3.3Å; I18-S21 PolarHBondContact O-N 2.82Å; I18-S21 PolarHBondContact O-OG 2.89Å; Q19-S21 VanDerWaalsContact C-N 3.33Å; S21-T24 PolarHBondContact O-OG1 2.88Å |
| 22 | A | 54.4 | Low | 56.3 | Low | 64 Ų | 64 | 122.3 Ų | 122.3 | 53% | 0.529 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -81.3 | -32.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I18 Q19 T24 R25 | I18-A22 WeakPolarHBondContact O-CB 3.4Å; I18-A22 PolarHBondContact O-N 3.5Å; Q19-A22 PolarHBondContact O-N 2.77Å; A22-T24 VanDerWaalsContact C-N 3.28Å; A22-T24 PolarHBondContact O-N 2.95Å; A22-R25 PolarHBondContact O-N 2.7Å |
| 23 | S | 51.6 | Low | 55.5 | Low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.1 | -16 | -177.9 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | Q19 R25 | Q19-S23 WeakPolarHBondContact O-CB 3.28Å; Q19-S23 PolarHBondContact O-N 2.74Å; Q19-S23 PolarHBondContact O-OG 3.08Å; S23-R25 VanDerWaalsContact C-N 3.29Å |
| 24 | T | 51.5 | Low | 54.4 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 2.7 | 171.8 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | S21 A22 | S21-T24 PolarHBondContact O-OG1 2.88Å; A22-T24 VanDerWaalsContact C-N 3.28Å; A22-T24 PolarHBondContact O-N 2.95Å |
| 25 | R | 54.9 | Low | 52.7 | Low | 210 Ų | 210 | 123 Ų | 123 | 79% | 0.792 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 5.5 | -177.3 | -80.1 | -159.7 | 157.9 | -142.4 | -5.5 | 116.9 | A22 S23 | A22-R25 PolarHBondContact O-N 2.7Å; S23-R25 VanDerWaalsContact C-N 3.29Å |
| 26 | Q | 48.9 | Very low | 51.6 | Low | 184 Ų | 184 | 128.2 Ų | 128.2 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -148.2 | 103.4 | 172.9 | -124.2 | 111 | 9.2 | 0 | 0 | 112.6 | ||||
| 27 | G | 40.2 | Very low | 50.7 | Low | 88 Ų | 88 | 127.6 Ų | 127.6 | 91% | 0.907 | 71% | 0.71 | S | S | * | * | trans | -175.3 | 73 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 28 | G | 36.5 | Very low | 50.2 | Low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 162.4 | 94.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 29 | H | 43.1 | Very low | 50.5 | Low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | 7.5 | 126.8 | 150.9 | -158.5 | -98.4 | 0 | 0 | 0 | 118 | E31 | H29-E31 PolarHBondContact O-N 2.9Š| ||
| 30 | A | 49.7 | Very low | 51.8 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -55.3 | 99.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 31 | E | 44.9 | Very low | 53.5 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | trans | -112.8 | 135.6 | 153.1 | -169.2 | 166 | 170.8 | 0 | 0 | 106.3 | H29 E33 | H29-E31 PolarHBondContact O-N 2.9Å; E31-E33 PolarHBondContact O-N 3.11Å | ||
| 32 | V | 51.2 | Low | 55.2 | Low | 142 Ų | 142 | 112.7 Ų | 112.7 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | trans | -70 | 75 | -178.2 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | N34 | V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 2.76Å; V32-N34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | E | 46 | Very low | 57.2 | Low | 132 Ų | 132 | 113.7 Ų | 113.7 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | trans | -84.7 | 83 | 172.9 | -153.3 | 92.5 | -147.4 | 0 | 0 | 107.5 | E31 H35 | E31-E33 PolarHBondContact O-N 3.11Å; E33-H35 PolarHBondContact O-N 2.89Å | ||
| 34 | N | 46.1 | Very low | 59.3 | Low | 131 Ų | 131 | 113.3 Ų | 113.3 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | trans | -51.1 | 112.3 | 165.8 | -177.8 | 25.7 | 0 | 0 | 0 | 107.7 | V32 I36 | V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 2.76Å; V32-N34 VanDerWaalsContact O-N 3.11Å; N34-I36 PolarHBondContact O-N 2.86Å | ||
| 35 | H | 37.5 | Very low | 61.5 | Low | 178 Ų | 178 | 110.1 Ų | 110.1 | 82% | 0.824 | 63% | 0.627 | S | S | * | * | trans | -56.3 | 102.8 | 178.6 | -62 | -69.3 | 0 | 0 | 0 | 109.7 | E33 S37 | E33-H35 PolarHBondContact O-N 2.89Å; H35-S37 VanDerWaalsContact C-N 3.34Å; H35-S37 PolarHBondContact O-N 3.01Å | ||
| 36 | I | 45.5 | Very low | 63.5 | Low | 144 Ų | 144 | 100.5 Ų | 100.5 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | trans | -62.3 | 92.5 | 177.1 | -65.2 | 157.2 | 0 | 0 | 0 | 107.6 | N34 | N34-I36 PolarHBondContact O-N 2.86Š| ||
| 37 | S | 48.2 | Very low | 65.7 | Low | 90 Ų | 90 | 98 Ų | 98 | 63% | 0.629 | 58% | 0.58 | S | S | * | * | trans | -67.4 | 133.6 | 150.3 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | H35 N39 | H35-S37 VanDerWaalsContact C-N 3.34Å; H35-S37 PolarHBondContact O-N 3.01Å; S37-N39 PolarHBondContact O-N 2.78Å; S37-N39 PolarHBondContact O-OD1 3.46Å | ||
| 38 | G | 59.1 | Low | 68.3 | Low | 59 Ų | 59 | 99.7 Ų | 99.7 | 61% | 0.608 | 57% | 0.568 | S | S | * | * | trans | -67.2 | 67.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A66 | G38-A66 WeakPolarHBondContact O-CB 2.97Š| ||
| 39 | N | 76.3 | Confident | 71.1 | Confident | 100 Ų | 100 | 98.7 Ų | 98.7 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | trans | -97.6 | 131.6 | 178.9 | 61 | -25.6 | 0 | 0 | 0 | 111 | S37 | S37-N39 PolarHBondContact O-N 2.78Å; S37-N39 PolarHBondContact O-OD1 3.46Å | ||
| 40 | A | 87.1 | Confident | 73.6 | Confident | 12 Ų | 12 | 93.7 Ų | 93.7 | 10% | 0.099 | 53% | 0.527 | C | S | . | . | trans | -67.9 | 136 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | F63 R64 A66 | A40-F63 HydrophobicContact CB-CE1 4.19Å; A40-F63 HydrophobicContact CB-CE2 4.22Å; A40-F63 HydrophobicContact CB-CZ 3.52Å; A40-R64 CarbonylContact C-O 3.58Å; A40-R64 VanDerWaalsContact CA-O 3.25Å; A40-R64 WeakPolarHBondContact CA-O 3.43Å; A40-A66 HydrophobicContact CB-CB 3.93Å | ||
| 41 | V | 92.1 | Very high | 75.9 | Confident | 62 Ų | 62 | 89 Ų | 89 | 38% | 0.376 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 143.1 | -168.8 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | T43 F63 R64 | V41-T43 HydrophobicContact CG1-CG2 4.32Å; V41-T43 PolarHBondContact O-N 3.46Å; V41-F63 WeakPolarHBondContact O-CD2 3.36Å; V41-R64 HydrophobicContact CG1-CB 4.29Å; V41-R64 PolarHBondContact N-O 3.43Å; V41-R64 PolarHBondContact O-N 3.43Å |
| 42 | F | 94.4 | Very high | 78.4 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 15% | 0.145 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.8 | 165.4 | -69.5 | -81.4 | 0 | 0 | 0 | 109.4 | V45 S62 F63 V140 H153 V155 | F42-V45 HydrophobicContact CB-CG1 3.59Å; F42-V45 HydrophobicContact CG-CG1 4.25Å; F42-S62 CarbonylContact C-O 3.56Å; F42-S62 WeakPolarHBondContact CA-O 3.39Å; F42-F63 HydrophobicContact CD1-CB 4.18Å; F42-F63 AromaticContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CG 4.48Å; F42-F63 HydrophobicContact CD2-CD2 4.2Å; F42-F63 HydrophobicContact CE1-CB 4.36Å; F42-F63 AromaticContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CG 4.49Å; F42-F63 HydrophobicContact CE2-CD2 4.22Å; F42-F63 HydrophobicContact CE2-CE2 4.35Å; F42-F63 AromaticContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CZ-CD2 4.01Å; F42-F63 HydrophobicContact CZ-CE2 4.38Å; F42-V140 HydrophobicContact CE1-CG2 3.88Å; F42-V140 HydrophobicContact CZ-CG2 4.39Å; F42-H153 HydrophobicContact CE2-CB 3.68Å; F42-H153 HydrophobicContact CZ-CB 3.62Å; F42-V155 HydrophobicContact CD1-CG1 4.28Å; F42-V155 HydrophobicContact CD1-CG2 3.93Å; F42-V155 HydrophobicContact CD2-CG1 3.57Å; F42-V155 HydrophobicContact CE1-CG1 4.37Å; F42-V155 HydrophobicContact CE1-CG2 3.82Å; F42-V155 HydrophobicContact CE2-CG1 3.67Å; F42-V155 HydrophobicContact CG-CG1 3.89Å; F42-V155 HydrophobicContact CG-CG2 4.36Å; F42-V155 HydrophobicContact CZ-CG1 4.09Å; F42-V155 HydrophobicContact CZ-CG2 4.15Å |
| 43 | T | 95.7 | Very high | 80.6 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -19.3 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | V41 S62 R64 | V41-T43 HydrophobicContact CG1-CG2 4.32Å; V41-T43 PolarHBondContact O-N 3.46Å; T43-S62 PolarHBondContact N-O 2.85Å; T43-S62 VanDerWaalsContact OG1-CB 3.29Å; T43-S62 WeakPolarHBondContact OG1-CB 3.33Å; T43-S62 PolarHBondContact OG1-O 2.91Å; T43-R64 HydrophobicContact CG2-CB 3.93Å |
| 44 | E | 97.3 | Very high | 83 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 41% | 0.407 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 126.7 | 172.3 | -171 | 178.5 | -163.7 | 0 | 0 | 107.8 | A60 C61 S62 | E44-A60 HydrophobicContact CG-CB 4.1Å; E44-A60 WeakPolarHBondContact OE1-CB 3.42Å; E44-C61 WeakPolarHBondContact O-CA 3.29Å; E44-S62 PolarHBondContact N-O 3.23Å; E44-S62 PolarHBondContact O-N 3.38Å; E44-S62 PolarHBondContact OE2-OG 3.24Å |
| 45 | V | 96.6 | Very high | 85.4 | Confident | 52 Ų | 52 | 75 Ų | 75 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | trans | -114.2 | 145.6 | 179.5 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | F42 H47 A60 V155 | F42-V45 HydrophobicContact CB-CG1 3.59Å; F42-V45 HydrophobicContact CG-CG1 4.25Å; V45-H47 PolarHBondContact O-CE1 2.97Å; V45-H47 PolarHBondContact O-ND1 3.41Å; V45-H47 VanDerWaalsContact O-ND1 3.15Å; V45-A60 CarbonylContact C-O 3.57Å; V45-V155 HydrophobicContact CB-CG2 4.49Å; V45-V155 HydrophobicContact CG1-CB 4.38Å; V45-V155 HydrophobicContact CG1-CG1 3.88Å; V45-V155 HydrophobicContact CG1-CG2 4.35Å | ||
| 46 | P | 96.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | trans | -69.6 | 152.3 | 171.6 | 32.5 | -35.4 | 0 | 0 | 0 | 110.2 | M59 W76 V155 A157 | P46-M59 HydrophobicContact CB-CB 4.14Å; P46-M59 HydrophobicContact CB-CG 4.42Å; P46-W76 HydrophobicContact CB-CH2 3.78Å; P46-W76 HydrophobicContact CB-CZ3 4.48Å; P46-W76 HydrophobicContact CG-CH2 3.82Å; P46-W76 HydrophobicContact CG-CZ3 4.31Å; P46-V155 HydrophobicContact CG-CG2 4.2Å; P46-A157 HydrophobicContact CB-CB 3.72Å; P46-A157 HydrophobicContact CG-CB 4.09Å | ||
| 47 | H | 94.9 | Very high | 90.8 | Very high | 132 Ų | 132 | 65.8 Ų | 65.8 | 61% | 0.611 | 38% | 0.383 | S | S | * | . | trans | -119.6 | 155.3 | -178.9 | -55.1 | 86.6 | 0 | 0 | 0 | 109.6 | V45 I49 A157 | V45-H47 PolarHBondContact O-CE1 2.97Å; V45-H47 PolarHBondContact O-ND1 3.41Å; V45-H47 VanDerWaalsContact O-ND1 3.15Å; H47-I49 WeakPolarHBondContact O-CG1 3.34Å; H47-I49 PolarHBondContact O-N 2.84Å; H47-A157 VanDerWaalsContact C-CB 3.44Å; H47-A157 WeakPolarHBondContact O-CB 3.14Å | ||
| 48 | D | 95.4 | Very high | 93.2 | Very high | 123 Ų | 123 | 65.4 Ų | 65.4 | 66% | 0.658 | 37% | 0.372 | S | S | * | . | trans | -62 | 134.9 | 174.1 | -64.5 | -10.6 | 0 | 0 | 0 | 110.3 | A157 Y158 | D48-A157 WeakPolarHBondContact OD1-CA 3.41Å; D48-Y158 CarbonylContact C-O 3.59Å; D48-Y158 VanDerWaalsContact CA-O 3.26Å; D48-Y158 WeakPolarHBondContact CA-O 3.19Å; D48-Y158 PolarHBondContact OD1-N 2.78Å | ||
| 49 | I | 95.3 | Very high | 95.1 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.4 | -175.8 | -65.6 | 165.9 | 0 | 0 | 0 | 108.9 | H47 V57 M59 Y158 L159 Q160 | H47-I49 WeakPolarHBondContact O-CG1 3.34Å; H47-I49 PolarHBondContact O-N 2.84Å; I49-V57 HydrophobicContact CD1-CG1 3.89Å; I49-V57 HydrophobicContact CG2-CG1 4.33Å; I49-M59 HydrophobicContact CD1-CG 3.94Å; I49-Y158 PolarHBondContact N-O 2.96Å; I49-L159 HydrophobicContact CB-CD1 4.35Å; I49-L159 HydrophobicContact CG2-CD1 4.24Å; I49-L159 WeakPolarHBondContact O-CA 3.1Å; I49-Q160 PolarHBondContact O-N 2.92Å |
| 50 | T | 96.5 | Very high | 96.1 | Very high | 80 Ų | 80 | 58.7 Ų | 58.7 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.7 | 164.7 | -53.1 | 0 | 0 | 0 | 0 | 108.5 | Q160 E162 | T50-Q160 WeakPolarHBondContact CA-O 3.45Å; T50-Q160 HydrophobicContact CG2-CB 4.27Å; T50-Q160 HydrophobicContact CG2-CG 4.3Å; T50-E162 HydrophobicContact CG2-CG 3.83Å |
| 51 | A | 96.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q55 V57 V128 L159 Q160 V161 E162 | A51-Q55 HydrophobicContact CB-CB 4.48Å; A51-V57 HydrophobicContact CB-CG2 3.56Å; A51-V128 HydrophobicContact CB-CG2 3.99Å; A51-L159 HydrophobicContact CB-CD1 4.13Å; A51-Q160 PolarHBondContact N-O 3.41Å; A51-V161 CarbonylContact O-C 3.51Å; A51-V161 VanDerWaalsContact O-CA 3.28Å; A51-V161 WeakPolarHBondContact O-CA 3.4Å; A51-E162 PolarHBondContact O-N 3.18Å |
| 52 | Q | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 149 | 168.2 | -62.6 | -172.6 | 17.8 | 0 | 0 | 110.3 | G54 Q55 E162 | Q52-G54 PolarHBondContact O-N 2.79Å; Q52-Q55 HydrophobicContact CB-CG 4.15Å; Q52-Q55 VanDerWaalsContact O-CB 3.3Å; Q52-Q55 WeakPolarHBondContact O-CB 3.39Å; Q52-Q55 WeakPolarHBondContact O-CG 3.26Å; Q52-Q55 PolarHBondContact O-N 2.85Å; Q52-E162 CarbonylContact C-O 3.54Å |
| 53 | S | 96.8 | Very high | 97 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 26% | 0.259 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 131.3 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | V128 E162 | S53-V128 CarbonylContact C-O 3.49Å; S53-V128 VanDerWaalsContact CA-O 3.29Å; S53-V128 WeakPolarHBondContact CA-O 3.47Å; S53-E162 PolarHBondContact N-O 3.06Å |
| 54 | G | 96.8 | Very high | 96.9 | Very high | 43 Ų | 43 | 57 Ų | 57 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -7.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q52 S127 V128 | Q52-G54 PolarHBondContact O-N 2.79Å; G54-S127 WeakPolarHBondContact O-CA 3.33Å; G54-V128 PolarHBondContact N-O 3.13Å |
| 55 | Q | 97.9 | Very high | 96.5 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | trans | -76.7 | 157.6 | 173.2 | -67.1 | -173.1 | -48 | 0 | 0 | 112.4 | A51 Q52 S127 V128 | A51-Q55 HydrophobicContact CB-CB 4.48Å; Q52-Q55 HydrophobicContact CB-CG 4.15Å; Q52-Q55 VanDerWaalsContact O-CB 3.3Å; Q52-Q55 WeakPolarHBondContact O-CB 3.39Å; Q52-Q55 WeakPolarHBondContact O-CG 3.26Å; Q52-Q55 PolarHBondContact O-N 2.85Å; Q55-S127 WeakPolarHBondContact O-CA 3.33Å; Q55-S127 PolarHBondContact O-N 2.89Å; Q55-V128 WeakPolarHBondContact O-CG2 3.38Å; Q55-V128 PolarHBondContact O-N 3.1Å | ||
| 56 | D | 98.1 | Very high | 95.7 | Very high | 120 Ų | 120 | 52.7 Ų | 52.7 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | trans | -93 | 138.2 | 170.2 | -66.7 | -10.3 | 0 | 0 | 0 | 109.5 | L125 S126 S127 | D56-L125 CarbonylContact C-O 3.5Å; D56-L125 WeakPolarHBondContact CA-O 3.2Å; D56-S126 WeakPolarHBondContact OD1-CA 3.4Å; D56-S127 PolarHBondContact OD1-N 2.95Å | ||
| 57 | V | 98.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139 | -179.5 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | I49 A51 M59 R124 L125 V128 L159 | I49-V57 HydrophobicContact CD1-CG1 3.89Å; I49-V57 HydrophobicContact CG2-CG1 4.33Å; A51-V57 HydrophobicContact CB-CG2 3.56Å; V57-M59 HydrophobicContact CG1-CE 4.2Å; V57-M59 HydrophobicContact CG1-CG 4.47Å; V57-R124 WeakPolarHBondContact O-CA 3.36Å; V57-L125 HydrophobicContact CB-CB 4.41Å; V57-L125 PolarHBondContact N-O 3.23Å; V57-L125 PolarHBondContact O-N 2.7Å; V57-V128 HydrophobicContact CB-CG1 4.16Å; V57-V128 HydrophobicContact CG2-CG1 3.84Å; V57-V128 HydrophobicContact CG2-CG2 4.35Å; V57-L159 HydrophobicContact CG1-CD1 4.21Å; V57-L159 HydrophobicContact CG2-CD1 3.97Å |
| 58 | E | 98.3 | Very high | 93.2 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.2 | 177.3 | -170.4 | 175 | 102.1 | 0 | 0 | 110.3 | K122 L123 R124 | E58-K122 HydrophobicContact CG-CD 3.68Å; E58-K122 HydrophobicContact CG-CG 3.4Å; E58-K122 VanDerWaalsContact CG-CG 3.4Å; E58-K122 WeakPolarHBondContact OE1-CD 3.26Å; E58-K122 WeakPolarHBondContact OE1-CE 3.48Å; E58-K122 IonicContact OE1-NZ 2.64Å; E58-K122 PolarHBondContact OE1-NZ 2.66Å; E58-K122 WeakPolarHBondContact OE2-CD 3.5Å; E58-L123 CarbonylContact C-O 3.51Å; E58-L123 WeakPolarHBondContact CA-O 3.39Å; E58-R124 HydrophobicContact CG-CG 4.12Å; E58-R124 IonicContact OE2-CZ 3.22Å; E58-R124 VanDerWaalsContact OE2-CZ 3.22Å; E58-R124 IonicContact OE2-NE 2.66Å; E58-R124 PolarHBondContact OE2-NE 3.35Å; E58-R124 IonicContact OE2-NH2 2.85Å; E58-R124 PolarHBondContact OE2-NH2 2.73Å |
| 59 | M | 98 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.7 | 176.5 | -74 | 174.6 | -87.2 | 0 | 0 | 109.4 | P46 I49 V57 W76 K122 L123 L125 Y136 A157 | P46-M59 HydrophobicContact CB-CB 4.14Å; P46-M59 HydrophobicContact CB-CG 4.42Å; I49-M59 HydrophobicContact CD1-CG 3.94Å; V57-M59 HydrophobicContact CG1-CE 4.2Å; V57-M59 HydrophobicContact CG1-CG 4.47Å; M59-W76 HydrophobicContact CB-CH2 3.8Å; M59-W76 HydrophobicContact CB-CZ2 4.24Å; M59-W76 HydrophobicContact CB-CZ3 4.44Å; M59-W76 WeakPolarHBondContact O-CZ2 3.24Å; M59-K122 CarbonylContact O-C 3.59Å; M59-K122 WeakPolarHBondContact O-CA 3.48Å; M59-L123 HydrophobicContact CB-CB 4.4Å; M59-L123 HydrophobicContact CE-CD2 3.72Å; M59-L123 HydrophobicContact CE-CG 4.43Å; M59-L123 PolarHBondContact N-O 3.42Å; M59-L123 PolarHBondContact O-N 2.85Å; M59-L125 HydrophobicContact CE-CD1 3.69Å; M59-Y136 HydrophobicContact CE-CD1 4.02Å; M59-Y136 HydrophobicContact CE-CD2 3.73Å; M59-Y136 HydrophobicContact CE-CE1 4.45Å; M59-Y136 HydrophobicContact CE-CE2 4.21Å; M59-Y136 HydrophobicContact CE-CG 3.61Å; M59-Y136 HydrophobicContact SD-CD2 4.26Å; M59-Y136 HydrophobicContact SD-CG 4.12Å; M59-A157 HydrophobicContact SD-CB 4.15Å |
| 60 | A | 98.1 | Very high | 90.7 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 146 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E44 V45 | E44-A60 HydrophobicContact CG-CB 4.1Å; E44-A60 WeakPolarHBondContact OE1-CB 3.42Å; V45-A60 CarbonylContact C-O 3.57Å |
| 61 | C | 98.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 123.6 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 109 | E44 I74 W76 S120 H121 C138 | E44-C61 WeakPolarHBondContact O-CA 3.29Å; C61-I74 HydrophobicContact CB-CD1 4.13Å; C61-I74 WeakPolarHBondContact O-CD1 3.09Å; C61-W76 HydrophobicContact CB-CH2 4.19Å; C61-W76 HydrophobicContact CB-CZ2 3.59Å; C61-S120 CarbonylContact O-C 3.52Å; C61-S120 WeakPolarHBondContact O-CA 3.44Å; C61-H121 PolarHBondContact N-O 3.22Å; C61-H121 PolarHBondContact O-N 2.84Å; C61-C138 HydrophobicContact CB-CB 3.62Å; C61-C138 WeakPolarHBondContact CB-SG 3.31Å; C61-C138 WeakPolarHBondContact SG-CB 3.19Å; C61-C138 CovalentContact SG-SG 2.03Å; C61-C138 PolarHBondContact SG-SG 3.45Å |
| 62 | S | 98.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.3 | 179.4 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | F42 T43 E44 I119 S120 | F42-S62 CarbonylContact C-O 3.56Å; F42-S62 WeakPolarHBondContact CA-O 3.39Å; T43-S62 PolarHBondContact N-O 2.85Å; T43-S62 VanDerWaalsContact OG1-CB 3.29Å; T43-S62 WeakPolarHBondContact OG1-CB 3.33Å; T43-S62 PolarHBondContact OG1-O 2.91Å; E44-S62 PolarHBondContact N-O 3.23Å; E44-S62 PolarHBondContact O-N 3.38Å; E44-S62 PolarHBondContact OE2-OG 3.24Å; S62-I119 CarbonylContact C-O 3.51Å; S62-I119 WeakPolarHBondContact CA-O 3.2Å; S62-S120 VanDerWaalsContact OG-CB 3.24Å; S62-S120 WeakPolarHBondContact OG-CB 3.33Å |
| 63 | F | 95.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 139.8 | -173.4 | -178.5 | -91.9 | 0 | 0 | 0 | 111.3 | A40 V41 F42 L72 N118 I119 V140 H153 | A40-F63 HydrophobicContact CB-CE1 4.19Å; A40-F63 HydrophobicContact CB-CE2 4.22Å; A40-F63 HydrophobicContact CB-CZ 3.52Å; V41-F63 WeakPolarHBondContact O-CD2 3.36Å; F42-F63 HydrophobicContact CD1-CB 4.18Å; F42-F63 AromaticContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CD2 3.78Å; F42-F63 HydrophobicContact CD1-CG 4.48Å; F42-F63 HydrophobicContact CD2-CD2 4.2Å; F42-F63 HydrophobicContact CE1-CB 4.36Å; F42-F63 AromaticContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CD2 3.79Å; F42-F63 HydrophobicContact CE1-CG 4.49Å; F42-F63 HydrophobicContact CE2-CD2 4.22Å; F42-F63 HydrophobicContact CE2-CE2 4.35Å; F42-F63 AromaticContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CG-CD2 3.99Å; F42-F63 HydrophobicContact CZ-CD2 4.01Å; F42-F63 HydrophobicContact CZ-CE2 4.38Å; F63-L72 HydrophobicContact CD1-CD1 4.21Å; F63-L72 HydrophobicContact CE1-CD2 4.27Å; F63-N118 WeakPolarHBondContact O-CA 3.42Å; F63-I119 HydrophobicContact CB-CG2 4.04Å; F63-I119 PolarHBondContact N-O 2.79Å; F63-I119 PolarHBondContact O-N 2.82Å; F63-V140 HydrophobicContact CB-CG1 4.34Å; F63-V140 HydrophobicContact CB-CG2 3.83Å; F63-V140 HydrophobicContact CD1-CB 4.31Å; F63-V140 HydrophobicContact CD1-CG1 3.54Å; F63-V140 HydrophobicContact CD2-CB 4.35Å; F63-V140 HydrophobicContact CD2-CG1 4.43Å; F63-V140 HydrophobicContact CD2-CG2 4.33Å; F63-V140 HydrophobicContact CE1-CG1 3.78Å; F63-V140 HydrophobicContact CG-CB 4.15Å; F63-V140 HydrophobicContact CG-CG1 3.87Å; F63-V140 HydrophobicContact CG-CG2 4Å; F63-V140 HydrophobicContact CZ-CG1 4.32Å; F63-H153 HydrophobicContact CD2-CB 4.44Å; F63-H153 HydrophobicContact CE2-CB 3.7Å; F63-H153 AromaticContact CE2-CD2 3.83Å; F63-H153 AromaticContact CE2-CG 3.53Å; F63-H153 AromaticContact CE2-ND1 3.92Å; F63-H153 HydrophobicContact CZ-CB 4.16Å; F63-H153 AromaticContact CZ-CD2 3.38Å; F63-H153 WeakPolarHBondContact CZ-CD2 3.41Å; F63-H153 AromaticContact CZ-CG 3.6Å; F63-H153 AromaticContact CZ-NE2 3.74Å |
| 64 | R | 93.7 | Very high | 90.2 | Very high | 140 Ų | 140 | 45 Ų | 45 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.1 | 173.5 | 175.2 | 178.9 | -79 | -175 | -3 | 108.8 | A40 V41 T43 S117 N118 | A40-R64 CarbonylContact C-O 3.58Å; A40-R64 VanDerWaalsContact CA-O 3.25Å; A40-R64 WeakPolarHBondContact CA-O 3.43Å; V41-R64 HydrophobicContact CG1-CB 4.29Å; V41-R64 PolarHBondContact N-O 3.43Å; V41-R64 PolarHBondContact O-N 3.43Å; T43-R64 HydrophobicContact CG2-CB 3.93Å; R64-S117 CarbonylContact C-O 3.48Å; R64-S117 WeakPolarHBondContact CA-O 3.34Å; R64-N118 WeakPolarHBondContact CG-OD1 3.35Å; R64-N118 PolarHBondContact NE-OD1 2.83Å |
| 65 | G | 88.9 | Confident | 90.2 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | trans | -71.3 | 163.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G67 S117 | G65-G67 PolarHBondContact O-N 3.35Å; G65-S117 PolarHBondContact N-O 2.81Å | ||
| 66 | A | 79.3 | Confident | 90.2 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 34% | 0.339 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -82.5 | 93.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G38 A40 | G38-A66 WeakPolarHBondContact O-CB 2.97Å; A40-A66 HydrophobicContact CB-CB 3.93Å |
| 67 | G | 72.4 | Confident | 90.1 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 44% | 0.443 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 83.3 | -154.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G65 S69 S117 | G65-G67 PolarHBondContact O-N 3.35Å; G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 2.92Å; G67-S117 VanDerWaalsContact O-CB 3.28Å; G67-S117 WeakPolarHBondContact O-CB 3.32Å |
| 68 | P | 68.6 | Low | 90 | Very high | 99 Ų | 99 | 36.5 Ų | 36.5 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | trans | -73.2 | 81 | 178.5 | 30.8 | -32.7 | 0 | 0 | 0 | 109.8 | Y70 | P68-Y70 PolarHBondContact O-N 2.83Š| ||
| 69 | S | 64.1 | Low | 89.6 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | trans | -65.9 | 116 | 167.2 | -52.5 | 0 | 0 | 0 | 0 | 108.5 | G67 S71 G116 D142 | G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 2.92Å; S69-S71 VanDerWaalsContact C-N 3.27Å; S69-S71 PolarHBondContact O-N 3.23Å; S69-G116 CarbonylContact O-C 3.56Å; S69-G116 VanDerWaalsContact O-C 3.23Å; S69-D142 WeakPolarHBondContact CB-OD1 3.34Å; S69-D142 PolarHBondContact OG-OD1 2.94Å; S69-D142 PolarHBondContact OG-OD2 2.65Å | ||
| 70 | Y | 73.1 | Confident | 88.6 | Confident | 170 Ų | 170 | 41.3 Ų | 41.3 | 67% | 0.667 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -68.6 | -30.3 | -179.3 | -61.4 | -77.2 | 0 | 0 | 0 | 111.5 | P68 | P68-Y70 PolarHBondContact O-N 2.83Š|
| 71 | S | 89.1 | Confident | 87.1 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 32% | 0.315 | 23% | 0.233 | S | C | . | . | trans | -156.5 | 143.4 | 169.9 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | S69 V114 F143 | S69-S71 VanDerWaalsContact C-N 3.27Å; S69-S71 PolarHBondContact O-N 3.23Å; S71-V114 WeakPolarHBondContact CA-O 3.02Å; S71-F143 PolarHBondContact O-N 2.82Å; S71-F143 VanDerWaalsContact O-N 3.11Å; S71-F143 WeakPolarHBondContact OG-CB 3.43Å | ||
| 72 | L | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.2 | 174.5 | -64 | 178 | 0 | 0 | 0 | 109.9 | F63 K113 V114 G116 I119 I141 D142 | F63-L72 HydrophobicContact CD1-CD1 4.21Å; F63-L72 HydrophobicContact CE1-CD2 4.27Å; L72-K113 CarbonylContact O-C 3.56Å; L72-K113 VanDerWaalsContact O-CA 3.28Å; L72-K113 WeakPolarHBondContact O-CA 3.45Å; L72-V114 HydrophobicContact CB-CG2 4.2Å; L72-V114 PolarHBondContact N-O 3.26Å; L72-V114 PolarHBondContact O-N 3.38Å; L72-G116 WeakPolarHBondContact CG-O 3.43Å; L72-I119 HydrophobicContact CB-CB 4.22Å; L72-I119 HydrophobicContact CB-CD1 4.12Å; L72-I119 HydrophobicContact CB-CG2 4.09Å; L72-I119 HydrophobicContact CD1-CB 4.11Å; L72-I119 HydrophobicContact CD1-CG2 3.87Å; L72-I141 WeakPolarHBondContact CA-O 3.21Å; L72-D142 HydrophobicContact CD2-CB 3.66Å; L72-D142 WeakPolarHBondContact CD2-OD1 3.28Å |
| 73 | E | 95.7 | Very high | 83.3 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.6 | 169.4 | 174.1 | 173.3 | 162.1 | 0 | 0 | 110.3 | Q75 K108 V111 V112 K113 V140 I141 F143 | E73-Q75 HydrophobicContact CG-CG 3.99Å; E73-Q75 PolarHBondContact OE1-NE2 2.03Å; E73-K108 IonicContact OE1-NZ 3.34Å; E73-K108 PolarHBondContact OE1-NZ 2.86Å; E73-V111 HydrophobicContact CG-CG2 3.65Å; E73-V111 WeakPolarHBondContact OE1-CG2 3.48Å; E73-V112 CarbonylContact C-O 3.58Å; E73-V112 WeakPolarHBondContact CA-O 3.5Å; E73-K113 HydrophobicContact CB-CD 4.3Å; E73-K113 HydrophobicContact CB-CG 3.97Å; E73-K113 HydrophobicContact CG-CD 4.31Å; E73-K113 HydrophobicContact CG-CG 3.88Å; E73-K113 WeakPolarHBondContact OE2-CD 3.35Å; E73-K113 WeakPolarHBondContact OE2-CE 3.01Å; E73-K113 IonicContact OE2-NZ 2.66Å; E73-K113 PolarHBondContact OE2-NZ 2.84Å; E73-V140 CarbonylContact O-C 3.59Å; E73-V140 VanDerWaalsContact O-CA 3.29Å; E73-V140 WeakPolarHBondContact O-CA 3.45Å; E73-I141 HydrophobicContact CB-CB 4.35Å; E73-I141 PolarHBondContact N-O 3.25Å; E73-I141 PolarHBondContact O-N 2.85Å; E73-F143 HydrophobicContact CB-CE2 3.75Å; E73-F143 HydrophobicContact CB-CZ 4.41Å |
| 74 | I | 97.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135 | 174.7 | -171.4 | 163.5 | 0 | 0 | 0 | 109.5 | C61 V111 V112 I119 H121 R139 V140 | C61-I74 HydrophobicContact CB-CD1 4.13Å; C61-I74 WeakPolarHBondContact O-CD1 3.09Å; I74-V111 CarbonylContact O-C 3.52Å; I74-V111 WeakPolarHBondContact O-CA 3.32Å; I74-V112 HydrophobicContact CG2-CB 3.78Å; I74-V112 HydrophobicContact CG2-CG1 4.44Å; I74-V112 PolarHBondContact N-O 2.77Å; I74-V112 PolarHBondContact O-N 3.39Å; I74-I119 HydrophobicContact CB-CD1 3.72Å; I74-I119 HydrophobicContact CB-CG1 4.13Å; I74-I119 HydrophobicContact CB-CG2 4.21Å; I74-I119 HydrophobicContact CD1-CG2 4.46Å; I74-I119 HydrophobicContact CG2-CD1 3.35Å; I74-I119 HydrophobicContact CG2-CG1 3.65Å; I74-H121 HydrophobicContact CB-CB 4.47Å; I74-H121 HydrophobicContact CD1-CB 3.78Å; I74-H121 HydrophobicContact CG1-CB 4.06Å; I74-H121 HydrophobicContact CG2-CB 3.55Å; I74-R139 CarbonylContact C-O 3.54Å; I74-R139 WeakPolarHBondContact CA-O 3.45Å; I74-V140 HydrophobicContact CB-CG2 4.16Å; I74-V140 HydrophobicContact CD1-CG2 4.03Å; I74-V140 HydrophobicContact CG1-CG2 3.85Å |
| 75 | Q | 98.2 | Very high | 79.2 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.5 | -176.6 | -52.4 | 175.2 | 11 | 0 | 0 | 110.3 | E73 K108 S110 V111 C138 R139 | E73-Q75 HydrophobicContact CG-CG 3.99Å; E73-Q75 PolarHBondContact OE1-NE2 2.03Å; Q75-K108 VanDerWaalsContact CD-NZ 3.25Å; Q75-S110 CarbonylContact C-O 3.49Å; Q75-S110 VanDerWaalsContact CA-O 3.26Å; Q75-S110 WeakPolarHBondContact CA-O 3.36Å; Q75-V111 HydrophobicContact CG-CB 4.35Å; Q75-V111 HydrophobicContact CG-CG2 4.03Å; Q75-C138 WeakPolarHBondContact O-CA 3.44Å; Q75-R139 HydrophobicContact CB-CB 4.4Å; Q75-R139 PolarHBondContact N-O 2.8Å; Q75-R139 PolarHBondContact O-N 2.96Å |
| 76 | W | 98.1 | Very high | 77.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.7 | 166.8 | -79.9 | 102.8 | 0 | 0 | 0 | 110.5 | P46 M59 C61 I109 S110 H121 L123 E137 C138 | P46-W76 HydrophobicContact CB-CH2 3.78Å; P46-W76 HydrophobicContact CB-CZ3 4.48Å; P46-W76 HydrophobicContact CG-CH2 3.82Å; P46-W76 HydrophobicContact CG-CZ3 4.31Å; M59-W76 HydrophobicContact CB-CH2 3.8Å; M59-W76 HydrophobicContact CB-CZ2 4.24Å; M59-W76 HydrophobicContact CB-CZ3 4.44Å; M59-W76 WeakPolarHBondContact O-CZ2 3.24Å; C61-W76 HydrophobicContact CB-CH2 4.19Å; C61-W76 HydrophobicContact CB-CZ2 3.59Å; W76-I109 HydrophobicContact CB-CB 4.17Å; W76-I109 HydrophobicContact CB-CD1 4.46Å; W76-I109 PolarHBondContact O-N 2.77Å; W76-S110 WeakPolarHBondContact CB-OG 3.48Å; W76-S110 PolarHBondContact N-O 2.95Å; W76-S110 PolarHBondContact O-N 2.77Å; W76-H121 AromaticContact CD1-CE1 3.97Å; W76-H121 AromaticContact CD1-CG 3.77Å; W76-H121 AromaticContact CD1-ND1 3.69Å; W76-H121 AromaticContact NE1-CG 3.85Å; W76-H121 PolarHBondContact NE1-O 2.8Å; W76-L123 HydrophobicContact CD2-CB 3.69Å; W76-L123 HydrophobicContact CD2-CD2 4.06Å; W76-L123 HydrophobicContact CD2-CG 4.43Å; W76-L123 HydrophobicContact CE3-CB 4.21Å; W76-L123 HydrophobicContact CE3-CD2 3.84Å; W76-L123 HydrophobicContact CG-CB 3.93Å; W76-L123 HydrophobicContact CG-CD2 4.41Å; W76-L123 HydrophobicContact CZ2-CB 4.05Å; W76-L123 HydrophobicContact CZ3-CD2 4.31Å; W76-E137 WeakPolarHBondContact CA-O 3.47Å; W76-C138 HydrophobicContact CE3-CB 4.32Å; W76-C138 HydrophobicContact CH2-CB 4.06Å; W76-C138 HydrophobicContact CZ2-CB 4.25Å; W76-C138 HydrophobicContact CZ3-CB 4.09Å |
| 77 | W | 96.4 | Very high | 75.9 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.2 | 178.5 | -70.8 | 77.5 | 0 | 0 | 0 | 110.7 | A106 T107 K108 Y136 E137 | W77-A106 HydrophobicContact CE3-CB 3.65Å; W77-A106 HydrophobicContact CZ3-CB 4.09Å; W77-A106 WeakPolarHBondContact CZ3-O 3.37Å; W77-T107 CarbonylContact C-O 3.59Å; W77-T107 VanDerWaalsContact CA-O 3.26Å; W77-T107 WeakPolarHBondContact CA-O 3.41Å; W77-T107 VanDerWaalsContact CE3-C 3.43Å; W77-K108 HydrophobicContact CD2-CB 3.93Å; W77-K108 HydrophobicContact CD2-CG 4.32Å; W77-K108 HydrophobicContact CE3-CB 3.94Å; W77-K108 VanDerWaalsContact CE3-N 3.28Å; W77-K108 HydrophobicContact CH2-CB 3.77Å; W77-K108 HydrophobicContact CH2-CD 4.37Å; W77-K108 HydrophobicContact CH2-CG 4.44Å; W77-K108 HydrophobicContact CZ2-CB 3.74Å; W77-K108 HydrophobicContact CZ2-CD 3.75Å; W77-K108 HydrophobicContact CZ2-CG 3.92Å; W77-K108 HydrophobicContact CZ3-CB 3.86Å; W77-Y136 CarbonylContact O-C 3.59Å; W77-Y136 WeakPolarHBondContact O-CA 3.47Å; W77-E137 HydrophobicContact CB-CB 4.29Å; W77-E137 PolarHBondContact N-O 2.73Å; W77-E137 PolarHBondContact O-N 3.1Å |
| 78 | Y | 94.8 | Very high | 74.7 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 14% | 0.137 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.4 | 168.6 | 173.8 | -111.6 | 0 | 0 | 0 | 109.2 | R80 A106 T107 E133 Y136 | Y78-R80 HydrophobicContact CE1-CB 4.19Å; Y78-A106 CarbonylContact O-C 3.6Å; Y78-A106 VanDerWaalsContact O-CA 3.32Å; Y78-A106 WeakPolarHBondContact O-CA 3.47Å; Y78-T107 PolarHBondContact N-O 2.82Å; Y78-T107 PolarHBondContact O-N 3Å; Y78-E133 PolarHBondContact OH-O 2.83Å; Y78-Y136 HydrophobicContact CD2-CD1 4.25Å; Y78-Y136 HydrophobicContact CD2-CD2 4.49Å; Y78-Y136 AromaticContact CD2-CE1 3.77Å; Y78-Y136 HydrophobicContact CD2-CE1 3.77Å; Y78-Y136 AromaticContact CD2-CE2 3.99Å; Y78-Y136 HydrophobicContact CD2-CE2 3.99Å; Y78-Y136 AromaticContact CD2-CZ 3.64Å; Y78-Y136 HydrophobicContact CE2-CE2 4.21Å; Y78-Y136 HydrophobicContact CG-CE1 4.43Å |
| 79 | I | 90.3 | Very high | 73.5 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114 | 178.3 | -53.3 | 179.4 | 0 | 0 | 0 | 108.2 | A106 T135 E137 | I79-A106 HydrophobicContact CG1-CB 4.25Å; I79-T135 PolarHBondContact N-O 3.47Å; I79-E137 HydrophobicContact CD1-CB 4.15Å |
| 80 | R | 77.8 | Confident | 72.4 | Confident | 173 Ų | 173 | 79.7 Ų | 79.7 | 65% | 0.653 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -74.1 | 138.2 | 177.2 | -170.9 | 179 | -73.6 | -163.6 | -1.8 | 109.5 | Y78 D105 | Y78-R80 HydrophobicContact CE1-CB 4.19Å; R80-D105 PolarHBondContact N-O 2.99Å |
| 81 | N | 65.9 | Low | 71.4 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 62% | 0.615 | 35% | 0.348 | S | S | * | . | trans | 65.8 | 69.2 | 173 | -158.6 | 46.3 | 0 | 0 | 0 | 115.7 | ||||
| 82 | H | 61.3 | Low | 69.2 | Low | 19 Ų | 19 | 78.4 Ų | 78.4 | 9% | 0.088 | 37% | 0.374 | C | S | . | . | trans | -84.8 | -8 | -174.8 | -168.8 | -94.6 | 0 | 0 | 0 | 116.2 | D84 W85 T86 T135 Y158 | H82-D84 PolarHBondContact O-N 2.89Å; H82-D84 VanDerWaalsContact O-N 3.1Å; H82-W85 PolarHBondContact O-N 2.85Å; H82-T86 PolarHBondContact CE1-OG1 3.47Å; H82-T86 PolarHBondContact ND1-OG1 3.39Å; H82-T86 PolarHBondContact O-N 3.01Å; H82-T86 PolarHBondContact O-OG1 3.05Å; H82-T135 WeakPolarHBondContact CB-OG1 3.29Å; H82-T135 WeakPolarHBondContact CD2-CB 3.47Å; H82-T135 PolarHBondContact CD2-OG1 2.65Å; H82-T135 PolarHBondContact ND1-OG1 2.97Å; H82-Y158 HydrophobicContact CB-CD2 4.48Å; H82-Y158 HydrophobicContact CB-CE2 4.24Å | ||
| 83 | R | 54.8 | Low | 66.9 | Low | 209 Ų | 209 | 80.1 Ų | 80.1 | 79% | 0.789 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.4 | -172.6 | -110.1 | -177.5 | 170.4 | -165.3 | -3.2 | 113.4 | W85 | R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 2.87Å |
| 84 | D | 51.7 | Low | 64.6 | Low | 116 Ų | 116 | 84.9 Ų | 84.9 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -11.3 | -178.6 | -53.9 | -30.6 | 0 | 0 | 0 | 113.6 | H82 | H82-D84 PolarHBondContact O-N 2.89Å; H82-D84 VanDerWaalsContact O-N 3.1Å |
| 85 | W | 51.6 | Low | 61.9 | Low | 77 Ų | 77 | 90 Ų | 90 | 29% | 0.292 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -32.9 | -174.8 | -101.5 | 95 | 0 | 0 | 0 | 113.9 | H82 R83 E87 K88 R102 | H82-W85 PolarHBondContact O-N 2.85Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 2.87Å; W85-E87 PolarHBondContact O-N 3.35Å; W85-K88 PolarHBondContact O-N 3.36Å; W85-R102 HydrophobicContact CH2-CG 4.49Å; W85-R102 HydrophobicContact CZ2-CB 4.44Å; W85-R102 HydrophobicContact CZ2-CG 4.11Å |
| 86 | T | 51 | Low | 59.5 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -27.6 | -178.2 | -32.2 | 0 | 0 | 0 | 0 | 112.8 | H82 K88 | H82-T86 PolarHBondContact CE1-OG1 3.47Å; H82-T86 PolarHBondContact ND1-OG1 3.39Å; H82-T86 PolarHBondContact O-N 3.01Å; H82-T86 PolarHBondContact O-OG1 3.05Å; T86-K88 VanDerWaalsContact C-N 3.34Å; T86-K88 PolarHBondContact O-N 3.25Å |
| 87 | E | 48.5 | Very low | 57.1 | Low | 176 Ų | 176 | 95.2 Ų | 95.2 | 82% | 0.822 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.9 | -176 | -66.5 | -174.2 | 171.3 | 0 | 0 | 114.3 | W85 | W85-E87 PolarHBondContact O-N 3.35Š|
| 88 | K | 46.3 | Very low | 54.6 | Low | 176 Ų | 176 | 98.7 Ų | 98.7 | 77% | 0.765 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -13.2 | -169.5 | -73.9 | -172.3 | -179.7 | -178 | 0 | 116.6 | W85 T86 | W85-K88 PolarHBondContact O-N 3.36Å; T86-K88 VanDerWaalsContact C-N 3.34Å; T86-K88 PolarHBondContact O-N 3.25Å |
| 89 | Q | 44.6 | Very low | 52.5 | Low | 60 Ų | 60 | 102.3 Ų | 102.3 | 28% | 0.28 | 52% | 0.515 | S | S | . | . | trans | -147.3 | 126.6 | 171.8 | -78.4 | -159.7 | -44.3 | 0 | 0 | 111.5 | W91 | Q89-W91 HydrophobicContact CB-CB 4.29Å; Q89-W91 HydrophobicContact CB-CG 4.38Å; Q89-W91 VanDerWaalsContact O-CD1 3.24Å | ||
| 90 | P | 40.8 | Very low | 50.6 | Low | 132 Ų | 132 | 108.5 Ų | 108.5 | 86% | 0.857 | 55% | 0.548 | S | S | * | . | trans | -79.8 | 121.1 | 151.9 | 30.8 | -25.2 | 0 | 0 | 0 | 106.8 | ||||
| 91 | W | 50.6 | Low | 49.1 | Very low | 48 Ų | 48 | 109 Ų | 109 | 18% | 0.182 | 56% | 0.558 | C | S | . | * | trans | -142.9 | 94.9 | -169.9 | 62.6 | -72.4 | 0 | 0 | 0 | 115.2 | Q89 E137 K154 V155 R156 | Q89-W91 HydrophobicContact CB-CB 4.29Å; Q89-W91 HydrophobicContact CB-CG 4.38Å; Q89-W91 VanDerWaalsContact O-CD1 3.24Å; W91-E137 HydrophobicContact CH2-CG 4.46Å; W91-K154 HydrophobicContact CE3-CD 4.4Å; W91-K154 HydrophobicContact CE3-CG 4.31Å; W91-K154 HydrophobicContact CH2-CB 4.49Å; W91-K154 HydrophobicContact CH2-CD 4.17Å; W91-K154 HydrophobicContact CH2-CG 4.43Å; W91-K154 VanDerWaalsContact CZ3-C 3.5Å; W91-K154 HydrophobicContact CZ3-CB 3.92Å; W91-K154 HydrophobicContact CZ3-CD 3.73Å; W91-K154 HydrophobicContact CZ3-CG 3.64Å; W91-K154 WeakPolarHBondContact CZ3-O 3.37Å; W91-V155 VanDerWaalsContact CZ3-CA 3.43Å; W91-R156 HydrophobicContact CH2-CB 3.46Å; W91-R156 VanDerWaalsContact CH2-CB 3.46Å; W91-R156 HydrophobicContact CH2-CG 3.27Å; W91-R156 HydrophobicContact CZ2-CB 3.23Å; W91-R156 HydrophobicContact CZ2-CG 3.28Å | ||
| 92 | T | 44.3 | Very low | 48.5 | Very low | 140 Ų | 140 | 109.9 Ų | 109.9 | 86% | 0.859 | 55% | 0.552 | S | S | * | * | -92.4 | 80.5 | 128.7 | 52.4 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 93 | S | 44.4 | Very low | 48.3 | Very low | 36 Ų | 36 | 111 Ų | 111 | 25% | 0.252 | 56% | 0.562 | S | S | . | * | trans | -122 | 118 | -176.7 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | Q95 | S93-Q95 PolarHBondContact O-N 3.35Š| ||
| 94 | N | 47.5 | Very low | 48.7 | Very low | 113 Ų | 113 | 110.5 Ų | 110.5 | 60% | 0.604 | 57% | 0.566 | S | S | * | * | trans | -68.1 | 33.3 | 168.6 | -80.5 | -20.3 | 0 | 0 | 0 | 112.7 | ||||
| 95 | Q | 42 | Very low | 49.9 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | trans | -90.9 | 120.1 | -179.5 | -96 | 179.4 | -26.7 | 0 | 0 | 111.9 | S93 V97 | S93-Q95 PolarHBondContact O-N 3.35Å; Q95-V97 PolarHBondContact O-N 3.39Å; Q95-V97 VanDerWaalsContact O-N 3.08Å | ||
| 96 | V | 47 | Very low | 51.5 | Low | 86 Ų | 86 | 107.3 Ų | 107.3 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | trans | -61.4 | 102.5 | 161.8 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 97 | V | 48.2 | Very low | 53.5 | Low | 38 Ų | 38 | 107 Ų | 107 | 23% | 0.23 | 55% | 0.554 | C | S | . | * | trans | -99.2 | 129.4 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | Q95 Q99 R102 | Q95-V97 PolarHBondContact O-N 3.39Å; Q95-V97 VanDerWaalsContact O-N 3.08Å; V97-Q99 PolarHBondContact O-N 2.98Å; V97-R102 VanDerWaalsContact CG1-NH1 3.29Å | ||
| 98 | P | 43 | Very low | 55.7 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 73% | 0.727 | 53% | 0.532 | S | S | * | . | trans | -54.9 | 128.5 | 173.5 | -25.3 | 34.3 | 0 | 0 | 0 | 111.8 | D100 | P98-D100 PolarHBondContact O-N 2.97Š| ||
| 99 | Q | 51.3 | Low | 58.1 | Low | 111 Ų | 111 | 97.6 Ų | 97.6 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -74.6 | -23.8 | -163.7 | -176.7 | 173 | -41.1 | 0 | 0 | 114.4 | V97 | V97-Q99 PolarHBondContact O-N 2.98Š|
| 100 | D | 49.6 | Very low | 60.6 | Low | 142 Ų | 142 | 96.2 Ų | 96.2 | 76% | 0.759 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -20 | -158.1 | -72.1 | -46.5 | 0 | 0 | 0 | 116.3 | P98 S103 | P98-D100 PolarHBondContact O-N 2.97Å; D100-S103 PolarHBondContact O-OG 3.21Å |
| 101 | E | 46 | Very low | 63.3 | Low | 185 Ų | 185 | 93.2 Ų | 93.2 | 86% | 0.864 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -3.6 | -173.7 | -150.6 | 158.3 | -168 | 0 | 0 | 113.8 | ||
| 102 | R | 53.6 | Low | 65.6 | Low | 132 Ų | 132 | 93.5 Ų | 93.5 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -124.4 | 10.9 | -167.4 | -61.8 | 177.7 | 174.6 | -174.4 | 2.7 | 113.9 | W85 V97 | W85-R102 HydrophobicContact CH2-CG 4.49Å; W85-R102 HydrophobicContact CZ2-CB 4.44Å; W85-R102 HydrophobicContact CZ2-CG 4.11Å; V97-R102 VanDerWaalsContact CG1-NH1 3.29Å |
| 103 | S | 57.8 | Low | 68 | Low | 43 Ų | 43 | 93.5 Ų | 93.5 | 30% | 0.301 | 49% | 0.485 | S | S | . | . | trans | -103.2 | -10 | -168.3 | 48.7 | 0 | 0 | 0 | 0 | 115 | D100 D105 A106 | D100-S103 PolarHBondContact O-OG 3.21Å; S103-D105 PolarHBondContact O-N 2.89Å; S103-A106 PolarHBondContact O-N 2.93Å | ||
| 104 | K | 62.7 | Low | 70.4 | Confident | 199 Ų | 199 | 94.1 Ų | 94.1 | 87% | 0.865 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.8 | -175.9 | -70.1 | -176.8 | 179.9 | 178.2 | 0 | 114 | ||
| 105 | D | 76.5 | Confident | 72.5 | Confident | 111 Ų | 111 | 93.3 Ų | 93.3 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 10.4 | -178.7 | -55.6 | -54.1 | 0 | 0 | 0 | 113.6 | R80 S103 | R80-D105 PolarHBondContact N-O 2.99Å; S103-D105 PolarHBondContact O-N 2.89Å |
| 106 | A | 86.7 | Confident | 74.8 | Confident | 14 Ų | 14 | 89.6 Ų | 89.6 | 12% | 0.116 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W77 Y78 I79 S103 | W77-A106 HydrophobicContact CE3-CB 3.65Å; W77-A106 HydrophobicContact CZ3-CB 4.09Å; W77-A106 WeakPolarHBondContact CZ3-O 3.37Å; Y78-A106 CarbonylContact O-C 3.6Å; Y78-A106 VanDerWaalsContact O-CA 3.32Å; Y78-A106 WeakPolarHBondContact O-CA 3.47Å; I79-A106 HydrophobicContact CG1-CB 4.25Å; S103-A106 PolarHBondContact O-N 2.93Å |
| 107 | T | 92.4 | Very high | 76.9 | Confident | 85 Ų | 85 | 87.4 Ų | 87.4 | 52% | 0.521 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123 | 176.5 | -57 | 0 | 0 | 0 | 0 | 109.9 | W77 Y78 I109 | W77-T107 CarbonylContact C-O 3.59Å; W77-T107 VanDerWaalsContact CA-O 3.26Å; W77-T107 WeakPolarHBondContact CA-O 3.41Å; W77-T107 VanDerWaalsContact CE3-C 3.43Å; Y78-T107 PolarHBondContact N-O 2.82Å; Y78-T107 PolarHBondContact O-N 3Å; T107-I109 PolarHBondContact O-N 2.85Å |
| 108 | K | 94.8 | Very high | 79 | Confident | 84 Ų | 84 | 89.8 Ų | 89.8 | 37% | 0.365 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 120.8 | 174.5 | -170 | 169.5 | 178.8 | 166.5 | 0 | 109.1 | E73 Q75 W77 | E73-K108 IonicContact OE1-NZ 3.34Å; E73-K108 PolarHBondContact OE1-NZ 2.86Å; Q75-K108 VanDerWaalsContact CD-NZ 3.25Å; W77-K108 HydrophobicContact CD2-CB 3.93Å; W77-K108 HydrophobicContact CD2-CG 4.32Å; W77-K108 HydrophobicContact CE3-CB 3.94Å; W77-K108 VanDerWaalsContact CE3-N 3.28Å; W77-K108 HydrophobicContact CH2-CB 3.77Å; W77-K108 HydrophobicContact CH2-CD 4.37Å; W77-K108 HydrophobicContact CH2-CG 4.44Å; W77-K108 HydrophobicContact CZ2-CB 3.74Å; W77-K108 HydrophobicContact CZ2-CD 3.75Å; W77-K108 HydrophobicContact CZ2-CG 3.92Å; W77-K108 HydrophobicContact CZ3-CB 3.86Å |
| 109 | I | 96.3 | Very high | 81.5 | Confident | 72 Ų | 72 | 84.8 Ų | 84.8 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -51 | -178.7 | -50.6 | 174.7 | 0 | 0 | 0 | 109.9 | W76 T107 L123 Y136 | W76-I109 HydrophobicContact CB-CB 4.17Å; W76-I109 HydrophobicContact CB-CD1 4.46Å; W76-I109 PolarHBondContact O-N 2.77Å; T107-I109 PolarHBondContact O-N 2.85Å; I109-L123 HydrophobicContact CD1-CD1 4.23Å; I109-L123 HydrophobicContact CD1-CD2 3.98Å; I109-L123 HydrophobicContact CG2-CD1 3.83Å; I109-Y136 HydrophobicContact CD1-CD1 3.66Å; I109-Y136 HydrophobicContact CD1-CE1 3.74Å |
| 110 | S | 97.8 | Very high | 83.7 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 22% | 0.217 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 160.6 | -175 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | Q75 W76 H121 | Q75-S110 CarbonylContact C-O 3.49Å; Q75-S110 VanDerWaalsContact CA-O 3.26Å; Q75-S110 WeakPolarHBondContact CA-O 3.36Å; W76-S110 WeakPolarHBondContact CB-OG 3.48Å; W76-S110 PolarHBondContact N-O 2.95Å; W76-S110 PolarHBondContact O-N 2.77Å; S110-H121 PolarHBondContact OG-CE1 2.72Å; S110-H121 PolarHBondContact OG-NE2 2.71Å |
| 111 | V | 97.5 | Very high | 86.1 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 138.8 | 179.9 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | E73 I74 Q75 | E73-V111 HydrophobicContact CG-CG2 3.65Å; E73-V111 WeakPolarHBondContact OE1-CG2 3.48Å; I74-V111 CarbonylContact O-C 3.52Å; I74-V111 WeakPolarHBondContact O-CA 3.32Å; Q75-V111 HydrophobicContact CG-CB 4.35Å; Q75-V111 HydrophobicContact CG-CG2 4.03Å |
| 112 | V | 97.9 | Very high | 88.6 | Confident | 54 Ų | 54 | 74.1 Ų | 74.1 | 33% | 0.327 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.6 | 172.1 | 172 | 0 | 0 | 0 | 0 | 108.2 | E73 I74 V114 I119 | E73-V112 CarbonylContact C-O 3.58Å; E73-V112 WeakPolarHBondContact CA-O 3.5Å; I74-V112 HydrophobicContact CG2-CB 3.78Å; I74-V112 HydrophobicContact CG2-CG1 4.44Å; I74-V112 PolarHBondContact N-O 2.77Å; I74-V112 PolarHBondContact O-N 3.39Å; V112-V114 HydrophobicContact CG1-CG1 4.24Å; V112-I119 HydrophobicContact CG1-CD1 4.43Å |
| 113 | K | 96 | Very high | 90.7 | Very high | 141 Ų | 141 | 68.2 Ų | 68.2 | 61% | 0.613 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.1 | 172.7 | -48.2 | -161.9 | -164.3 | -150.6 | 0 | 109.9 | L72 E73 | L72-K113 CarbonylContact O-C 3.56Å; L72-K113 VanDerWaalsContact O-CA 3.28Å; L72-K113 WeakPolarHBondContact O-CA 3.45Å; E73-K113 HydrophobicContact CB-CD 4.3Å; E73-K113 HydrophobicContact CB-CG 3.97Å; E73-K113 HydrophobicContact CG-CD 4.31Å; E73-K113 HydrophobicContact CG-CG 3.88Å; E73-K113 WeakPolarHBondContact OE2-CD 3.35Å; E73-K113 WeakPolarHBondContact OE2-CE 3.01Å; E73-K113 IonicContact OE2-NZ 2.66Å; E73-K113 PolarHBondContact OE2-NZ 2.84Å |
| 114 | V | 94.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 74.8 Ų | 74.8 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.1 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | S71 L72 V112 I119 | S71-V114 WeakPolarHBondContact CA-O 3.02Å; L72-V114 HydrophobicContact CB-CG2 4.2Å; L72-V114 PolarHBondContact N-O 3.26Å; L72-V114 PolarHBondContact O-N 3.38Å; V112-V114 HydrophobicContact CG1-CG1 4.24Å; V114-I119 HydrophobicContact CG1-CD1 4.17Å; V114-I119 HydrophobicContact CG1-CG1 4.11Å; V114-I119 HydrophobicContact CG2-CB 3.95Å; V114-I119 HydrophobicContact CG2-CD1 3.83Å; V114-I119 HydrophobicContact CG2-CG1 3.86Å |
| 115 | A | 91.3 | Very high | 94.3 | Very high | 96 Ų | 96 | 66.8 Ų | 66.8 | 79% | 0.793 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -87.6 | 114.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 116 | G | 89.4 | Confident | 95.3 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 143.1 | 174.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S69 L72 | S69-G116 CarbonylContact O-C 3.56Å; S69-G116 VanDerWaalsContact O-C 3.23Å; L72-G116 WeakPolarHBondContact CG-O 3.43Å |
| 117 | S | 90.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 68.3 Ų | 68.3 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -97.8 | 2.5 | -172.8 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | R64 G65 G67 | R64-S117 CarbonylContact C-O 3.48Å; R64-S117 WeakPolarHBondContact CA-O 3.34Å; G65-S117 PolarHBondContact N-O 2.81Å; G67-S117 VanDerWaalsContact O-CB 3.28Å; G67-S117 WeakPolarHBondContact O-CB 3.32Å |
| 118 | N | 93.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.9 | 176.7 | -54.1 | -89.3 | 0 | 0 | 0 | 109.1 | F63 R64 | F63-N118 WeakPolarHBondContact O-CA 3.42Å; R64-N118 WeakPolarHBondContact CG-OD1 3.35Å; R64-N118 PolarHBondContact NE-OD1 2.83Å |
| 119 | I | 95.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 140.8 | 178 | -163.1 | 171.5 | 0 | 0 | 0 | 109.8 | S62 F63 L72 I74 V112 V114 V140 | S62-I119 CarbonylContact C-O 3.51Å; S62-I119 WeakPolarHBondContact CA-O 3.2Å; F63-I119 HydrophobicContact CB-CG2 4.04Å; F63-I119 PolarHBondContact N-O 2.79Å; F63-I119 PolarHBondContact O-N 2.82Å; L72-I119 HydrophobicContact CB-CB 4.22Å; L72-I119 HydrophobicContact CB-CD1 4.12Å; L72-I119 HydrophobicContact CB-CG2 4.09Å; L72-I119 HydrophobicContact CD1-CB 4.11Å; L72-I119 HydrophobicContact CD1-CG2 3.87Å; I74-I119 HydrophobicContact CB-CD1 3.72Å; I74-I119 HydrophobicContact CB-CG1 4.13Å; I74-I119 HydrophobicContact CB-CG2 4.21Å; I74-I119 HydrophobicContact CD1-CG2 4.46Å; I74-I119 HydrophobicContact CG2-CD1 3.35Å; I74-I119 HydrophobicContact CG2-CG1 3.65Å; V112-I119 HydrophobicContact CG1-CD1 4.43Å; V114-I119 HydrophobicContact CG1-CD1 4.17Å; V114-I119 HydrophobicContact CG1-CG1 4.11Å; V114-I119 HydrophobicContact CG2-CB 3.95Å; V114-I119 HydrophobicContact CG2-CD1 3.83Å; V114-I119 HydrophobicContact CG2-CG1 3.86Å; I119-V140 HydrophobicContact CG2-CG1 4.31Å |
| 120 | S | 97.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 57% | 0.573 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136.9 | 178 | 60 | 0 | 0 | 0 | 0 | 110 | C61 S62 | C61-S120 CarbonylContact O-C 3.52Å; C61-S120 WeakPolarHBondContact O-CA 3.44Å; S62-S120 VanDerWaalsContact OG-CB 3.24Å; S62-S120 WeakPolarHBondContact OG-CB 3.33Å |
| 121 | H | 98.5 | Very high | 95.9 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 17% | 0.171 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 133.8 | 176.8 | -169.1 | 176.1 | 0 | 0 | 0 | 110.6 | C61 I74 W76 S110 | C61-H121 PolarHBondContact N-O 3.22Å; C61-H121 PolarHBondContact O-N 2.84Å; I74-H121 HydrophobicContact CB-CB 4.47Å; I74-H121 HydrophobicContact CD1-CB 3.78Å; I74-H121 HydrophobicContact CG1-CB 4.06Å; I74-H121 HydrophobicContact CG2-CB 3.55Å; W76-H121 AromaticContact CD1-CE1 3.97Å; W76-H121 AromaticContact CD1-CG 3.77Å; W76-H121 AromaticContact CD1-ND1 3.69Å; W76-H121 AromaticContact NE1-CG 3.85Å; W76-H121 PolarHBondContact NE1-O 2.8Å; S110-H121 PolarHBondContact OG-CE1 2.72Å; S110-H121 PolarHBondContact OG-NE2 2.71Å |
| 122 | K | 98.4 | Very high | 95.7 | Very high | 94 Ų | 94 | 67.7 Ų | 67.7 | 41% | 0.409 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.9 | -176.1 | 178.4 | 171.7 | -91 | -156.2 | 0 | 110 | E58 M59 | E58-K122 HydrophobicContact CG-CD 3.68Å; E58-K122 HydrophobicContact CG-CG 3.4Å; E58-K122 VanDerWaalsContact CG-CG 3.4Å; E58-K122 WeakPolarHBondContact OE1-CD 3.26Å; E58-K122 WeakPolarHBondContact OE1-CE 3.48Å; E58-K122 IonicContact OE1-NZ 2.64Å; E58-K122 PolarHBondContact OE1-NZ 2.66Å; E58-K122 WeakPolarHBondContact OE2-CD 3.5Å; M59-K122 CarbonylContact O-C 3.59Å; M59-K122 WeakPolarHBondContact O-CA 3.48Å |
| 123 | L | 98.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.6 | 172.4 | 175.9 | 62.7 | 0 | 0 | 0 | 109 | E58 M59 W76 I109 L125 Y136 | E58-L123 CarbonylContact C-O 3.51Å; E58-L123 WeakPolarHBondContact CA-O 3.39Å; M59-L123 HydrophobicContact CB-CB 4.4Å; M59-L123 HydrophobicContact CE-CD2 3.72Å; M59-L123 HydrophobicContact CE-CG 4.43Å; M59-L123 PolarHBondContact N-O 3.42Å; M59-L123 PolarHBondContact O-N 2.85Å; W76-L123 HydrophobicContact CD2-CB 3.69Å; W76-L123 HydrophobicContact CD2-CD2 4.06Å; W76-L123 HydrophobicContact CD2-CG 4.43Å; W76-L123 HydrophobicContact CE3-CB 4.21Å; W76-L123 HydrophobicContact CE3-CD2 3.84Å; W76-L123 HydrophobicContact CG-CB 3.93Å; W76-L123 HydrophobicContact CG-CD2 4.41Å; W76-L123 HydrophobicContact CZ2-CB 4.05Å; W76-L123 HydrophobicContact CZ3-CD2 4.31Å; I109-L123 HydrophobicContact CD1-CD1 4.23Å; I109-L123 HydrophobicContact CD1-CD2 3.98Å; I109-L123 HydrophobicContact CG2-CD1 3.83Å; L123-L125 HydrophobicContact CD1-CD2 4.13Å; L123-L125 HydrophobicContact CD2-CD2 4.42Å; L123-L125 HydrophobicContact CD2-CG 4.45Å; L123-L125 HydrophobicContact CG-CD2 4.29Å; L123-L125 HydrophobicContact CG-CG 4.26Å; L123-Y136 HydrophobicContact CD2-CD1 3.36Å; L123-Y136 HydrophobicContact CD2-CE1 3.89Å; L123-Y136 HydrophobicContact CD2-CG 4.1Å |
| 124 | R | 98.3 | Very high | 95.4 | Very high | 181 Ų | 181 | 61.8 Ų | 61.8 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.2 | 174.5 | -70 | -178.1 | 167.5 | -179.2 | -5.5 | 109.1 | V57 E58 | V57-R124 WeakPolarHBondContact O-CA 3.36Å; E58-R124 HydrophobicContact CG-CG 4.12Å; E58-R124 IonicContact OE2-CZ 3.22Å; E58-R124 VanDerWaalsContact OE2-CZ 3.22Å; E58-R124 IonicContact OE2-NE 2.66Å; E58-R124 PolarHBondContact OE2-NE 3.35Å; E58-R124 IonicContact OE2-NH2 2.85Å; E58-R124 PolarHBondContact OE2-NH2 2.73Å |
| 125 | L | 97.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.7 | 174.1 | -56.7 | 170.3 | 0 | 0 | 0 | 107.1 | D56 V57 M59 L123 V128 Y136 L159 | D56-L125 CarbonylContact C-O 3.5Å; D56-L125 WeakPolarHBondContact CA-O 3.2Å; V57-L125 HydrophobicContact CB-CB 4.41Å; V57-L125 PolarHBondContact N-O 3.23Å; V57-L125 PolarHBondContact O-N 2.7Å; M59-L125 HydrophobicContact CE-CD1 3.69Å; L123-L125 HydrophobicContact CD1-CD2 4.13Å; L123-L125 HydrophobicContact CD2-CD2 4.42Å; L123-L125 HydrophobicContact CD2-CG 4.45Å; L123-L125 HydrophobicContact CG-CD2 4.29Å; L123-L125 HydrophobicContact CG-CG 4.26Å; L125-V128 HydrophobicContact CB-CG1 3.8Å; L125-Y136 HydrophobicContact CD1-CD1 4.48Å; L125-Y136 HydrophobicContact CD1-CE1 3.7Å; L125-Y136 HydrophobicContact CD1-CE2 4.04Å; L125-Y136 VanDerWaalsContact CD1-CZ 3.43Å; L125-Y136 WeakPolarHBondContact CD1-OH 3.28Å; L125-Y136 HydrophobicContact CD2-CE1 4.13Å; L125-Y136 HydrophobicContact CG-CE1 4.49Å; L125-L159 HydrophobicContact CD1-CD2 3.69Å |
| 126 | S | 97.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 63% | 0.629 | 31% | 0.308 | S | S | * | . | trans | -100.6 | 139.1 | -179.7 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | D56 V128 | D56-S126 WeakPolarHBondContact OD1-CA 3.4Å; S126-V128 PolarHBondContact O-N 3.22Å | ||
| 127 | S | 97.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 47.8 | 57.7 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 113.2 | G54 Q55 D56 | G54-S127 WeakPolarHBondContact O-CA 3.33Å; Q55-S127 WeakPolarHBondContact O-CA 3.33Å; Q55-S127 PolarHBondContact O-N 2.89Å; D56-S127 PolarHBondContact OD1-N 2.95Å |
| 128 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -57.7 | 146.4 | -172.9 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | A51 S53 G54 Q55 V57 L125 S126 D132 L159 V161 | A51-V128 HydrophobicContact CB-CG2 3.99Å; S53-V128 CarbonylContact C-O 3.49Å; S53-V128 VanDerWaalsContact CA-O 3.29Å; S53-V128 WeakPolarHBondContact CA-O 3.47Å; G54-V128 PolarHBondContact N-O 3.13Å; Q55-V128 WeakPolarHBondContact O-CG2 3.38Å; Q55-V128 PolarHBondContact O-N 3.1Å; V57-V128 HydrophobicContact CB-CG1 4.16Å; V57-V128 HydrophobicContact CG2-CG1 3.84Å; V57-V128 HydrophobicContact CG2-CG2 4.35Å; L125-V128 HydrophobicContact CB-CG1 3.8Å; S126-V128 PolarHBondContact O-N 3.22Å; V128-D132 WeakPolarHBondContact CA-OD2 3.36Å; V128-L159 HydrophobicContact CG1-CD2 4.26Å; V128-V161 HydrophobicContact CB-CG2 4.23Å; V128-V161 HydrophobicContact CG2-CG1 3.94Å; V128-V161 HydrophobicContact CG2-CG2 4.07Å | ||
| 129 | K | 96.4 | Very high | 96.4 | Very high | 124 Ų | 124 | 50.2 Ų | 50.2 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | trans | -118.5 | 161.3 | -179.8 | -64.4 | 174.5 | -174.2 | 173.2 | 0 | 110.5 | S131 D132 | K129-S131 PolarHBondContact O-N 3.08Å; K129-D132 PolarHBondContact N-OD2 2.94Å; K129-D132 WeakPolarHBondContact O-CB 3.36Å; K129-D132 PolarHBondContact O-N 3.34Å | ||
| 130 | P | 94.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -53.9 | -24.3 | 171.2 | -28.4 | 36.6 | 0 | 0 | 0 | 114.2 | D132 E133 | P130-D132 VanDerWaalsContact C-N 3.3Å; P130-E133 WeakPolarHBondContact O-CB 3.26Å; P130-E133 PolarHBondContact O-N 3.32Å |
| 131 | S | 93.2 | Very high | 96.1 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 58% | 0.58 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -73.4 | -18.4 | 173.9 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | K129 E133 | K129-S131 PolarHBondContact O-N 3.08Å; S131-E133 VanDerWaalsContact C-N 3.3Å |
| 132 | D | 94.3 | Very high | 95.7 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -87 | -7.6 | 178.6 | -54.8 | -32.1 | 0 | 0 | 0 | 111.3 | V128 K129 P130 G134 Y136 | V128-D132 WeakPolarHBondContact CA-OD2 3.36Å; K129-D132 PolarHBondContact N-OD2 2.94Å; K129-D132 WeakPolarHBondContact O-CB 3.36Å; K129-D132 PolarHBondContact O-N 3.34Å; P130-D132 VanDerWaalsContact C-N 3.3Å; D132-G134 PolarHBondContact O-N 2.94Å; D132-Y136 PolarHBondContact O-OH 3.35Å |
| 133 | E | 94.4 | Very high | 95.1 | Very high | 69 Ų | 69 | 44.6 Ų | 44.6 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | trans | -56 | 135.3 | 170.7 | 173.9 | 165 | 147.5 | 0 | 0 | 110.6 | Y78 P130 S131 Y158 L159 V161 | Y78-E133 PolarHBondContact OH-O 2.83Å; P130-E133 WeakPolarHBondContact O-CB 3.26Å; P130-E133 PolarHBondContact O-N 3.32Å; S131-E133 VanDerWaalsContact C-N 3.3Å; E133-Y158 HydrophobicContact CG-CE1 4Å; E133-Y158 VanDerWaalsContact CG-OH 3.26Å; E133-Y158 WeakPolarHBondContact CG-OH 3.07Å; E133-Y158 PolarHBondContact OE1-OH 3.34Å; E133-L159 WeakPolarHBondContact CA-O 3.25Å; E133-L159 WeakPolarHBondContact CG-O 3.36Å; E133-V161 HydrophobicContact CB-CG2 4.43Å; E133-V161 PolarHBondContact OE2-N 3.12Å | ||
| 134 | G | 93.1 | Very high | 94 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150 | -164.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D132 L159 | D132-G134 PolarHBondContact O-N 2.94Å; G134-L159 PolarHBondContact N-O 3.32Å; G134-L159 VanDerWaalsContact N-O 3.08Å; G134-L159 PolarHBondContact O-N 3.48Å |
| 135 | T | 94.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.4 | -172.6 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | I79 H82 R156 A157 Y158 | I79-T135 PolarHBondContact N-O 3.47Å; H82-T135 WeakPolarHBondContact CB-OG1 3.29Å; H82-T135 WeakPolarHBondContact CD2-CB 3.47Å; H82-T135 PolarHBondContact CD2-OG1 2.65Å; H82-T135 PolarHBondContact ND1-OG1 2.97Å; T135-R156 HydrophobicContact CG2-CB 3.69Å; T135-R156 HydrophobicContact CG2-CG 3.51Å; T135-A157 WeakPolarHBondContact CA-O 3.14Å; T135-A157 WeakPolarHBondContact CG2-O 3.36Å; T135-Y158 VanDerWaalsContact OG1-CD2 3.32Å; T135-Y158 WeakPolarHBondContact OG1-CD2 3.33Å |
| 136 | Y | 95.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.2 | 178.7 | -67.4 | -91.9 | 0 | 0 | 0 | 109.3 | M59 W77 Y78 I109 L123 L125 D132 R156 A157 L159 | M59-Y136 HydrophobicContact CE-CD1 4.02Å; M59-Y136 HydrophobicContact CE-CD2 3.73Å; M59-Y136 HydrophobicContact CE-CE1 4.45Å; M59-Y136 HydrophobicContact CE-CE2 4.21Å; M59-Y136 HydrophobicContact CE-CG 3.61Å; M59-Y136 HydrophobicContact SD-CD2 4.26Å; M59-Y136 HydrophobicContact SD-CG 4.12Å; W77-Y136 CarbonylContact O-C 3.59Å; W77-Y136 WeakPolarHBondContact O-CA 3.47Å; Y78-Y136 HydrophobicContact CD2-CD1 4.25Å; Y78-Y136 HydrophobicContact CD2-CD2 4.49Å; Y78-Y136 AromaticContact CD2-CE1 3.77Å; Y78-Y136 HydrophobicContact CD2-CE1 3.77Å; Y78-Y136 AromaticContact CD2-CE2 3.99Å; Y78-Y136 HydrophobicContact CD2-CE2 3.99Å; Y78-Y136 AromaticContact CD2-CZ 3.64Å; Y78-Y136 HydrophobicContact CE2-CE2 4.21Å; Y78-Y136 HydrophobicContact CG-CE1 4.43Å; I109-Y136 HydrophobicContact CD1-CD1 3.66Å; I109-Y136 HydrophobicContact CD1-CE1 3.74Å; L123-Y136 HydrophobicContact CD2-CD1 3.36Å; L123-Y136 HydrophobicContact CD2-CE1 3.89Å; L123-Y136 HydrophobicContact CD2-CG 4.1Å; L125-Y136 HydrophobicContact CD1-CD1 4.48Å; L125-Y136 HydrophobicContact CD1-CE1 3.7Å; L125-Y136 HydrophobicContact CD1-CE2 4.04Å; L125-Y136 VanDerWaalsContact CD1-CZ 3.43Å; L125-Y136 WeakPolarHBondContact CD1-OH 3.28Å; L125-Y136 HydrophobicContact CD2-CE1 4.13Å; L125-Y136 HydrophobicContact CG-CE1 4.49Å; D132-Y136 PolarHBondContact O-OH 3.35Å; Y136-R156 CarbonylContact O-C 3.54Å; Y136-R156 WeakPolarHBondContact O-CA 3.47Å; Y136-R156 WeakPolarHBondContact O-CG 3.37Å; Y136-A157 PolarHBondContact N-O 3.48Å; Y136-A157 PolarHBondContact O-N 2.88Å; Y136-L159 HydrophobicContact CD2-CB 3.93Å; Y136-L159 HydrophobicContact CE2-CB 3.64Å; Y136-L159 HydrophobicContact CE2-CD2 3.82Å; Y136-L159 HydrophobicContact CE2-CG 4.36Å |
| 137 | E | 95.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.5 | -177.6 | -176.5 | 171.5 | 63.1 | 0 | 0 | 110.6 | W76 W77 I79 W91 R139 K154 V155 R156 | W76-E137 WeakPolarHBondContact CA-O 3.47Å; W77-E137 HydrophobicContact CB-CB 4.29Å; W77-E137 PolarHBondContact N-O 2.73Å; W77-E137 PolarHBondContact O-N 3.1Å; I79-E137 HydrophobicContact CD1-CB 4.15Å; W91-E137 HydrophobicContact CH2-CG 4.46Å; E137-R139 HydrophobicContact CG-CG 3.89Å; E137-R139 IonicContact OE1-CZ 2.74Å; E137-R139 IonicContact OE1-NE 2.71Å; E137-R139 PolarHBondContact OE1-NE 3.46Å; E137-R139 IonicContact OE1-NH2 3.11Å; E137-R139 PolarHBondContact OE1-NH2 2.98Å; E137-K154 HydrophobicContact CG-CB 4.3Å; E137-K154 VanDerWaalsContact OE2-CD 3.31Å; E137-K154 WeakPolarHBondContact OE2-CD 3.26Å; E137-V155 WeakPolarHBondContact CA-O 3.43Å; E137-R156 HydrophobicContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CD-NE 3.35Å; E137-R156 HydrophobicContact CG-CG 3.75Å; E137-R156 IonicContact OE1-NH2 3.99Å; E137-R156 IonicContact OE2-CZ 3.15Å; E137-R156 IonicContact OE2-NE 2.7Å; E137-R156 PolarHBondContact OE2-NE 3.2Å; E137-R156 IonicContact OE2-NH2 2.73Å; E137-R156 PolarHBondContact OE2-NH2 3.45Å |
| 138 | C | 97.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.5 | 164.6 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | C61 Q75 W76 K154 V155 | C61-C138 HydrophobicContact CB-CB 3.62Å; C61-C138 WeakPolarHBondContact CB-SG 3.31Å; C61-C138 WeakPolarHBondContact SG-CB 3.19Å; C61-C138 CovalentContact SG-SG 2.03Å; C61-C138 PolarHBondContact SG-SG 3.45Å; Q75-C138 WeakPolarHBondContact O-CA 3.44Å; W76-C138 HydrophobicContact CE3-CB 4.32Å; W76-C138 HydrophobicContact CH2-CB 4.06Å; W76-C138 HydrophobicContact CZ2-CB 4.25Å; W76-C138 HydrophobicContact CZ3-CB 4.09Å; C138-K154 CarbonylContact O-C 3.49Å; C138-K154 WeakPolarHBondContact O-CA 3.38Å; C138-V155 HydrophobicContact CB-CG2 3.85Å; C138-V155 PolarHBondContact N-O 3.37Å; C138-V155 PolarHBondContact O-N 2.81Å |
| 139 | R | 96.1 | Very high | 86.5 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.4 | 173.1 | -57.6 | -175.4 | -177.5 | 172.9 | -0.5 | 109.2 | I74 Q75 E137 H153 K154 | I74-R139 CarbonylContact C-O 3.54Å; I74-R139 WeakPolarHBondContact CA-O 3.45Å; Q75-R139 HydrophobicContact CB-CB 4.4Å; Q75-R139 PolarHBondContact N-O 2.8Å; Q75-R139 PolarHBondContact O-N 2.96Å; E137-R139 HydrophobicContact CG-CG 3.89Å; E137-R139 IonicContact OE1-CZ 2.74Å; E137-R139 IonicContact OE1-NE 2.71Å; E137-R139 PolarHBondContact OE1-NE 3.46Å; E137-R139 IonicContact OE1-NH2 3.11Å; E137-R139 PolarHBondContact OE1-NH2 2.98Å; R139-H153 CarbonylContact C-O 3.23Å; R139-H153 WeakPolarHBondContact CA-O 3.35Å; R139-K154 HydrophobicContact CG-CB 4.5Å |
| 140 | V | 95.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.4 | 171.1 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | F42 F63 E73 I74 I119 H152 H153 | F42-V140 HydrophobicContact CE1-CG2 3.88Å; F42-V140 HydrophobicContact CZ-CG2 4.39Å; F63-V140 HydrophobicContact CB-CG1 4.34Å; F63-V140 HydrophobicContact CB-CG2 3.83Å; F63-V140 HydrophobicContact CD1-CB 4.31Å; F63-V140 HydrophobicContact CD1-CG1 3.54Å; F63-V140 HydrophobicContact CD2-CB 4.35Å; F63-V140 HydrophobicContact CD2-CG1 4.43Å; F63-V140 HydrophobicContact CD2-CG2 4.33Å; F63-V140 HydrophobicContact CE1-CG1 3.78Å; F63-V140 HydrophobicContact CG-CB 4.15Å; F63-V140 HydrophobicContact CG-CG1 3.87Å; F63-V140 HydrophobicContact CG-CG2 4Å; F63-V140 HydrophobicContact CZ-CG1 4.32Å; E73-V140 CarbonylContact O-C 3.59Å; E73-V140 VanDerWaalsContact O-CA 3.29Å; E73-V140 WeakPolarHBondContact O-CA 3.45Å; I74-V140 HydrophobicContact CB-CG2 4.16Å; I74-V140 HydrophobicContact CD1-CG2 4.03Å; I74-V140 HydrophobicContact CG1-CG2 3.85Å; I119-V140 HydrophobicContact CG2-CG1 4.31Å; V140-H152 WeakPolarHBondContact O-CA 3.29Å; V140-H153 HydrophobicContact CB-CB 4.38Å; V140-H153 PolarHBondContact N-O 3.01Å; V140-H153 PolarHBondContact O-N 2.94Å |
| 141 | I | 92.3 | Very high | 85.6 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.8 | 173.5 | -50.4 | -179.3 | 0 | 0 | 0 | 107.2 | L72 E73 F143 A150 R151 | L72-I141 WeakPolarHBondContact CA-O 3.21Å; E73-I141 HydrophobicContact CB-CB 4.35Å; E73-I141 PolarHBondContact N-O 3.25Å; E73-I141 PolarHBondContact O-N 2.85Å; I141-F143 HydrophobicContact CB-CE2 4.1Å; I141-F143 HydrophobicContact CB-CZ 4.01Å; I141-F143 HydrophobicContact CG2-CD1 4.14Å; I141-F143 HydrophobicContact CG2-CD2 4.34Å; I141-F143 HydrophobicContact CG2-CE1 3.62Å; I141-F143 HydrophobicContact CG2-CE2 3.85Å; I141-F143 HydrophobicContact CG2-CG 4.48Å; I141-F143 HydrophobicContact CG2-CZ 3.46Å; I141-F143 VanDerWaalsContact CG2-CZ 3.46Å; I141-A150 HydrophobicContact CG2-CB 3.5Å; I141-R151 CarbonylContact C-O 3.6Å; I141-R151 WeakPolarHBondContact CA-O 3.33Å |
| 142 | D | 90.7 | Very high | 85.4 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115 | 173.9 | -167.5 | -9 | 0 | 0 | 0 | 109.6 | S69 L72 S144 A150 R151 | S69-D142 WeakPolarHBondContact CB-OD1 3.34Å; S69-D142 PolarHBondContact OG-OD1 2.94Å; S69-D142 PolarHBondContact OG-OD2 2.65Å; L72-D142 HydrophobicContact CD2-CB 3.66Å; L72-D142 WeakPolarHBondContact CD2-OD1 3.28Å; D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 2.9Å; D142-S144 PolarHBondContact OD1-N 2.66Å; D142-S144 PolarHBondContact OD1-OG 3.34Å; D142-S144 PolarHBondContact OD2-OG 2.85Å; D142-A150 CarbonylContact O-C 3.58Å; D142-A150 WeakPolarHBondContact O-CA 3.37Å; D142-R151 HydrophobicContact CB-CB 4.24Å; D142-R151 PolarHBondContact N-O 3.47Å; D142-R151 PolarHBondContact O-N 3.11Å |
| 143 | F | 86.6 | Confident | 85.2 | Confident | 81 Ų | 81 | 50 Ų | 50 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | trans | -94.6 | 22.2 | 177.8 | -54.8 | -82.6 | 0 | 0 | 0 | 111.6 | S71 E73 I141 D145 A150 | S71-F143 PolarHBondContact O-N 2.82Å; S71-F143 VanDerWaalsContact O-N 3.11Å; S71-F143 WeakPolarHBondContact OG-CB 3.43Å; E73-F143 HydrophobicContact CB-CE2 3.75Å; E73-F143 HydrophobicContact CB-CZ 4.41Å; I141-F143 HydrophobicContact CB-CE2 4.1Å; I141-F143 HydrophobicContact CB-CZ 4.01Å; I141-F143 HydrophobicContact CG2-CD1 4.14Å; I141-F143 HydrophobicContact CG2-CD2 4.34Å; I141-F143 HydrophobicContact CG2-CE1 3.62Å; I141-F143 HydrophobicContact CG2-CE2 3.85Å; I141-F143 HydrophobicContact CG2-CG 4.48Å; I141-F143 HydrophobicContact CG2-CZ 3.46Å; I141-F143 VanDerWaalsContact CG2-CZ 3.46Å; F143-D145 VanDerWaalsContact C-N 3.33Å; F143-A150 HydrophobicContact CD1-CB 3.7Å; F143-A150 HydrophobicContact CE1-CB 3.94Å | ||
| 144 | S | 75.8 | Confident | 85.2 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | trans | -70.7 | -23.9 | 179.7 | 66.5 | 0 | 0 | 0 | 0 | 114.8 | D142 | D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 2.9Å; D142-S144 PolarHBondContact OD1-N 2.66Å; D142-S144 PolarHBondContact OD1-OG 3.34Å; D142-S144 PolarHBondContact OD2-OG 2.85Å | ||
| 145 | D | 66.1 | Low | 85.3 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | trans | -75.4 | 132 | -170.7 | -150.7 | -23.4 | 0 | 0 | 0 | 110.8 | F143 D147 R151 | F143-D145 VanDerWaalsContact C-N 3.33Å; D145-D147 PolarHBondContact OD1-N 3.41Å; D145-D147 VanDerWaalsContact OD1-N 3.11Å; D145-R151 IonicContact OD2-NE 3.62Å | ||
| 146 | T | 64.5 | Low | 85.2 | Confident | 138 Ų | 138 | 50.1 Ų | 50.1 | 85% | 0.847 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -74.7 | -18.9 | 172.6 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 147 | D | 62.5 | Low | 85.2 | Confident | 116 Ų | 116 | 49.8 Ų | 49.8 | 62% | 0.62 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -76.9 | 137.3 | 163.4 | -86.9 | -25.6 | 0 | 0 | 0 | 109.1 | D145 N149 | D145-D147 PolarHBondContact OD1-N 3.41Å; D145-D147 VanDerWaalsContact OD1-N 3.11Å; D147-N149 PolarHBondContact O-N 3.14Å |
| 148 | S | 63.5 | Low | 85.1 | Confident | 119 Ų | 119 | 52.8 Ų | 52.8 | 83% | 0.832 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -59.1 | 12 | -167.7 | 53.3 | 0 | 0 | 0 | 0 | 117.5 | ||
| 149 | N | 74.4 | Confident | 85 | Confident | 119 Ų | 119 | 52.8 Ų | 52.8 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | trans | -117.7 | 112.6 | -177.4 | -64.2 | -42.5 | 0 | 0 | 0 | 111.3 | D147 R151 | D147-N149 PolarHBondContact O-N 3.14Å; N149-R151 PolarHBondContact O-N 3.24Å | ||
| 150 | A | 84.3 | Confident | 85 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | trans | -62 | 137 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I141 D142 F143 H152 | I141-A150 HydrophobicContact CG2-CB 3.5Å; D142-A150 CarbonylContact O-C 3.58Å; D142-A150 WeakPolarHBondContact O-CA 3.37Å; F143-A150 HydrophobicContact CD1-CB 3.7Å; F143-A150 HydrophobicContact CE1-CB 3.94Å; A150-H152 PolarHBondContact O-CE1 2.93Å; A150-H152 VanDerWaalsContact O-CE1 3.3Å; A150-H152 PolarHBondContact O-ND1 2.91Å | ||
| 151 | R | 86.3 | Confident | 85 | Confident | 125 Ų | 125 | 54.9 Ų | 54.9 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.9 | 177 | -61.4 | -60.3 | -155.1 | 152.1 | 9.8 | 109.6 | I141 D142 D145 N149 | I141-R151 CarbonylContact C-O 3.6Å; I141-R151 WeakPolarHBondContact CA-O 3.33Å; D142-R151 HydrophobicContact CB-CB 4.24Å; D142-R151 PolarHBondContact N-O 3.47Å; D142-R151 PolarHBondContact O-N 3.11Å; D145-R151 IonicContact OD2-NE 3.62Å; N149-R151 PolarHBondContact O-N 3.24Å |
| 152 | H | 89.8 | Confident | 85.2 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.5 | -177.3 | -66.8 | 75.2 | 0 | 0 | 0 | 110 | V140 A150 | V140-H152 WeakPolarHBondContact O-CA 3.29Å; A150-H152 PolarHBondContact O-CE1 2.93Å; A150-H152 VanDerWaalsContact O-CE1 3.3Å; A150-H152 PolarHBondContact O-ND1 2.91Å |
| 153 | H | 91.1 | Very high | 85.3 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.9 | 177.5 | -57.1 | -90.2 | 0 | 0 | 0 | 108.8 | F42 F63 R139 V140 | F42-H153 HydrophobicContact CE2-CB 3.68Å; F42-H153 HydrophobicContact CZ-CB 3.62Å; F63-H153 HydrophobicContact CD2-CB 4.44Å; F63-H153 HydrophobicContact CE2-CB 3.7Å; F63-H153 AromaticContact CE2-CD2 3.83Å; F63-H153 AromaticContact CE2-CG 3.53Å; F63-H153 AromaticContact CE2-ND1 3.92Å; F63-H153 HydrophobicContact CZ-CB 4.16Å; F63-H153 AromaticContact CZ-CD2 3.38Å; F63-H153 WeakPolarHBondContact CZ-CD2 3.41Å; F63-H153 AromaticContact CZ-CG 3.6Å; F63-H153 AromaticContact CZ-NE2 3.74Å; R139-H153 CarbonylContact C-O 3.23Å; R139-H153 WeakPolarHBondContact CA-O 3.35Å; V140-H153 HydrophobicContact CB-CB 4.38Å; V140-H153 PolarHBondContact N-O 3.01Å; V140-H153 PolarHBondContact O-N 2.94Å |
| 154 | K | 93.7 | Very high | 85.2 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 13% | 0.13 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.9 | 178.9 | 50.7 | 166.1 | -176.8 | 174.5 | 0 | 112.6 | W91 E137 C138 R139 | W91-K154 HydrophobicContact CE3-CD 4.4Å; W91-K154 HydrophobicContact CE3-CG 4.31Å; W91-K154 HydrophobicContact CH2-CB 4.49Å; W91-K154 HydrophobicContact CH2-CD 4.17Å; W91-K154 HydrophobicContact CH2-CG 4.43Å; W91-K154 VanDerWaalsContact CZ3-C 3.5Å; W91-K154 HydrophobicContact CZ3-CB 3.92Å; W91-K154 HydrophobicContact CZ3-CD 3.73Å; W91-K154 HydrophobicContact CZ3-CG 3.64Å; W91-K154 WeakPolarHBondContact CZ3-O 3.37Å; E137-K154 HydrophobicContact CG-CB 4.3Å; E137-K154 VanDerWaalsContact OE2-CD 3.31Å; E137-K154 WeakPolarHBondContact OE2-CD 3.26Å; C138-K154 CarbonylContact O-C 3.49Å; C138-K154 WeakPolarHBondContact O-CA 3.38Å; R139-K154 HydrophobicContact CG-CB 4.5Å |
| 155 | V | 94.3 | Very high | 85.2 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.1 | 168.1 | -70.8 | 0 | 0 | 0 | 0 | 109.5 | F42 V45 P46 W91 E137 C138 | F42-V155 HydrophobicContact CD1-CG1 4.28Å; F42-V155 HydrophobicContact CD1-CG2 3.93Å; F42-V155 HydrophobicContact CD2-CG1 3.57Å; F42-V155 HydrophobicContact CE1-CG1 4.37Å; F42-V155 HydrophobicContact CE1-CG2 3.82Å; F42-V155 HydrophobicContact CE2-CG1 3.67Å; F42-V155 HydrophobicContact CG-CG1 3.89Å; F42-V155 HydrophobicContact CG-CG2 4.36Å; F42-V155 HydrophobicContact CZ-CG1 4.09Å; F42-V155 HydrophobicContact CZ-CG2 4.15Å; V45-V155 HydrophobicContact CB-CG2 4.49Å; V45-V155 HydrophobicContact CG1-CB 4.38Å; V45-V155 HydrophobicContact CG1-CG1 3.88Å; V45-V155 HydrophobicContact CG1-CG2 4.35Å; P46-V155 HydrophobicContact CG-CG2 4.2Å; W91-V155 VanDerWaalsContact CZ3-CA 3.43Å; E137-V155 WeakPolarHBondContact CA-O 3.43Å; C138-V155 HydrophobicContact CB-CG2 3.85Å; C138-V155 PolarHBondContact N-O 3.37Å; C138-V155 PolarHBondContact O-N 2.81Å |
| 156 | R | 93.8 | Very high | 85 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 160 | 179.1 | -88.9 | 176 | -122.8 | 165.9 | -15 | 112.3 | W91 T135 Y136 E137 | W91-R156 HydrophobicContact CH2-CB 3.46Å; W91-R156 VanDerWaalsContact CH2-CB 3.46Å; W91-R156 HydrophobicContact CH2-CG 3.27Å; W91-R156 HydrophobicContact CZ2-CB 3.23Å; W91-R156 HydrophobicContact CZ2-CG 3.28Å; T135-R156 HydrophobicContact CG2-CB 3.69Å; T135-R156 HydrophobicContact CG2-CG 3.51Å; Y136-R156 CarbonylContact O-C 3.54Å; Y136-R156 WeakPolarHBondContact O-CA 3.47Å; Y136-R156 WeakPolarHBondContact O-CG 3.37Å; E137-R156 HydrophobicContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CB-CG 3.43Å; E137-R156 VanDerWaalsContact CD-NE 3.35Å; E137-R156 HydrophobicContact CG-CG 3.75Å; E137-R156 IonicContact OE1-NH2 3.99Å; E137-R156 IonicContact OE2-CZ 3.15Å; E137-R156 IonicContact OE2-NE 2.7Å; E137-R156 PolarHBondContact OE2-NE 3.2Å; E137-R156 IonicContact OE2-NH2 2.73Å; E137-R156 PolarHBondContact OE2-NH2 3.45Å |
| 157 | A | 94.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P46 H47 D48 M59 T135 Y136 | P46-A157 HydrophobicContact CB-CB 3.72Å; P46-A157 HydrophobicContact CG-CB 4.09Å; H47-A157 VanDerWaalsContact C-CB 3.44Å; H47-A157 WeakPolarHBondContact O-CB 3.14Å; D48-A157 WeakPolarHBondContact OD1-CA 3.41Å; M59-A157 HydrophobicContact SD-CB 4.15Å; T135-A157 WeakPolarHBondContact CA-O 3.14Å; T135-A157 WeakPolarHBondContact CG2-O 3.36Å; Y136-A157 PolarHBondContact N-O 3.48Å; Y136-A157 PolarHBondContact O-N 2.88Å |
| 158 | Y | 94.7 | Very high | 84.5 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130 | 170.2 | -165.5 | -91.9 | 0 | 0 | 0 | 110.4 | D48 I49 H82 E133 T135 Q160 | D48-Y158 CarbonylContact C-O 3.59Å; D48-Y158 VanDerWaalsContact CA-O 3.26Å; D48-Y158 WeakPolarHBondContact CA-O 3.19Å; D48-Y158 PolarHBondContact OD1-N 2.78Å; I49-Y158 PolarHBondContact N-O 2.96Å; H82-Y158 HydrophobicContact CB-CD2 4.48Å; H82-Y158 HydrophobicContact CB-CE2 4.24Å; E133-Y158 HydrophobicContact CG-CE1 4Å; E133-Y158 VanDerWaalsContact CG-OH 3.26Å; E133-Y158 WeakPolarHBondContact CG-OH 3.07Å; E133-Y158 PolarHBondContact OE1-OH 3.34Å; T135-Y158 VanDerWaalsContact OG1-CD2 3.32Å; T135-Y158 WeakPolarHBondContact OG1-CD2 3.33Å; Y158-Q160 HydrophobicContact CD1-CB 4.16Å; Y158-Q160 HydrophobicContact CE1-CB 3.96Å |
| 159 | L | 95.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.6 | 167.2 | 172.8 | 59.4 | 0 | 0 | 0 | 108.2 | I49 A51 V57 L125 V128 E133 G134 Y136 V161 | I49-L159 HydrophobicContact CB-CD1 4.35Å; I49-L159 HydrophobicContact CG2-CD1 4.24Å; I49-L159 WeakPolarHBondContact O-CA 3.1Å; A51-L159 HydrophobicContact CB-CD1 4.13Å; V57-L159 HydrophobicContact CG1-CD1 4.21Å; V57-L159 HydrophobicContact CG2-CD1 3.97Å; L125-L159 HydrophobicContact CD1-CD2 3.69Å; V128-L159 HydrophobicContact CG1-CD2 4.26Å; E133-L159 WeakPolarHBondContact CA-O 3.25Å; E133-L159 WeakPolarHBondContact CG-O 3.36Å; G134-L159 PolarHBondContact N-O 3.32Å; G134-L159 VanDerWaalsContact N-O 3.08Å; G134-L159 PolarHBondContact O-N 3.48Å; Y136-L159 HydrophobicContact CD2-CB 3.93Å; Y136-L159 HydrophobicContact CE2-CB 3.64Å; Y136-L159 HydrophobicContact CE2-CD2 3.82Å; Y136-L159 HydrophobicContact CE2-CG 4.36Å; L159-V161 HydrophobicContact CD1-CG2 4.21Å; L159-V161 HydrophobicContact CD2-CG2 4.06Å; L159-V161 HydrophobicContact CG-CG2 3.83Å |
| 160 | Q | 95.4 | Very high | 83.3 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 40% | 0.397 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.2 | 168.5 | -175.2 | 176.5 | -18.7 | 0 | 0 | 109.1 | I49 T50 A51 Y158 | I49-Q160 PolarHBondContact O-N 2.92Å; T50-Q160 WeakPolarHBondContact CA-O 3.45Å; T50-Q160 HydrophobicContact CG2-CB 4.27Å; T50-Q160 HydrophobicContact CG2-CG 4.3Å; A51-Q160 PolarHBondContact N-O 3.41Å; Y158-Q160 HydrophobicContact CD1-CB 4.16Å; Y158-Q160 HydrophobicContact CE1-CB 3.96Å |
| 161 | V | 96 | Very high | 82 | Confident | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.03 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109 | 179.6 | -174 | 0 | 0 | 0 | 0 | 110.4 | A51 V128 E133 L159 | A51-V161 CarbonylContact O-C 3.51Å; A51-V161 VanDerWaalsContact O-CA 3.28Å; A51-V161 WeakPolarHBondContact O-CA 3.4Å; V128-V161 HydrophobicContact CB-CG2 4.23Å; V128-V161 HydrophobicContact CG2-CG1 3.94Å; V128-V161 HydrophobicContact CG2-CG2 4.07Å; E133-V161 HydrophobicContact CB-CG2 4.43Å; E133-V161 PolarHBondContact OE2-N 3.12Å; L159-V161 HydrophobicContact CD1-CG2 4.21Å; L159-V161 HydrophobicContact CD2-CG2 4.06Å; L159-V161 HydrophobicContact CG-CG2 3.83Å |
| 162 | E | 95.3 | Very high | 80.5 | Confident | 90 Ų | 90 | 83 Ų | 83 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130.1 | 174.8 | -65 | -174.7 | 165.3 | 0 | 0 | 109.7 | T50 A51 Q52 S53 | T50-E162 HydrophobicContact CG2-CG 3.83Å; A51-E162 PolarHBondContact O-N 3.18Å; Q52-E162 CarbonylContact C-O 3.54Å; S53-E162 PolarHBondContact N-O 3.06Å |
| 163 | P | 92.6 | Very high | 78.7 | Confident | 95 Ų | 95 | 88.7 Ų | 88.7 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | trans | -60.6 | 148.6 | 175 | 26.7 | -33.2 | 0 | 0 | 0 | 109.9 | S165 | P163-S165 PolarHBondContact O-N 3.05Š| ||
| 164 | E | 85.7 | Confident | 76.9 | Confident | 138 Ų | 138 | 97 Ų | 97 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | trans | -56.7 | 113.6 | 174.8 | -172.7 | 179.9 | -174.4 | 0 | 0 | 109 | N166 | E164-N166 PolarHBondContact O-N 3.02Š| ||
| 165 | S | 74.3 | Confident | 74.8 | Confident | 70 Ų | 70 | 99.3 Ų | 99.3 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | trans | -71.4 | 107 | 178.8 | 73.7 | 0 | 0 | 0 | 0 | 108.4 | P163 H167 | P163-S165 PolarHBondContact O-N 3.05Å; S165-H167 WeakPolarHBondContact CB-ND1 3.37Å; S165-H167 PolarHBondContact O-N 3.24Å; S165-H167 PolarHBondContact OG-CE1 3.18Å; S165-H167 VanDerWaalsContact OG-CE1 3.23Å; S165-H167 PolarHBondContact OG-ND1 3.38Å | ||
| 166 | N | 63.5 | Low | 73 | Confident | 138 Ų | 138 | 103.4 Ų | 103.4 | 74% | 0.738 | 56% | 0.561 | S | S | * | * | trans | -67.9 | 73.5 | 167.2 | -81.7 | -30.6 | 0 | 0 | 0 | 109.2 | E164 N168 | E164-N166 PolarHBondContact O-N 3.02Å; N166-N168 PolarHBondContact O-N 2.9Å | ||
| 167 | H | 57.9 | Low | 70.7 | Confident | 154 Ų | 154 | 108.7 Ų | 108.7 | 71% | 0.713 | 59% | 0.592 | S | S | * | * | trans | -70.1 | 78.9 | 165.2 | -79.6 | 89.6 | 0 | 0 | 0 | 108.2 | S165 P169 | S165-H167 WeakPolarHBondContact CB-ND1 3.37Å; S165-H167 PolarHBondContact O-N 3.24Å; S165-H167 PolarHBondContact OG-CE1 3.18Å; S165-H167 VanDerWaalsContact OG-CE1 3.23Å; S165-H167 PolarHBondContact OG-ND1 3.38Å; H167-P169 WeakPolarHBondContact O-CD 3.42Å | ||
| 168 | N | 57.1 | Low | 68.2 | Low | 131 Ų | 131 | 117.7 Ų | 117.7 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | -67.6 | 110.3 | 159 | -90.7 | -20.5 | 0 | 0 | 0 | 107.6 | N166 A170 | N166-N168 PolarHBondContact O-N 2.9Å; N168-A170 PolarHBondContact O-N 3.49Å; N168-A170 VanDerWaalsContact O-N 3.13Å | ||
| 169 | P | 56.6 | Low | 65.7 | Low | 123 Ų | 123 | 121.5 Ų | 121.5 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -74.1 | -1.6 | -179.4 | -10.5 | 28.5 | 0 | 0 | 0 | 112.8 | H167 L171 | H167-P169 WeakPolarHBondContact O-CD 3.42Å; P169-L171 PolarHBondContact O-N 3.11Å |
| 170 | A | 57.6 | Low | 63.3 | Low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -86.6 | -0.3 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | N168 | N168-A170 PolarHBondContact O-N 3.49Å; N168-A170 VanDerWaalsContact O-N 3.13Å |
| 171 | L | 57.2 | Low | 60.7 | Low | 154 Ų | 154 | 131.8 Ų | 131.8 | 81% | 0.806 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -118.9 | 7.6 | -173.3 | -96.6 | 136.7 | 0 | 0 | 0 | 116.1 | P169 | P169-L171 PolarHBondContact O-N 3.11Š|
| 172 | R | 52.8 | Low | 58.1 | Low | 239 Ų | 239 | 138.7 Ų | 138.7 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -95.6 | 11.7 | 178.5 | -74.8 | -157.6 | 166.5 | -162.6 | -1.8 | 116.4 | ||
| 173 | H | 53.8 | Low | 55.4 | Low | 182 Ų | 182 | 140.5 Ų | 140.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -119.7 | 16.2 | -178.2 | -94.8 | -52.2 | 0 | 0 | 0 | 117.5 | ||
| 174 | H | 51.5 | Low | 52.7 | Low | 201 Ų | 201 | 145 Ų | 145 | 93% | 0.931 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -121.5 | 59.1 | 175.5 | -90.1 | 28.9 | 0 | 0 | 0 | 112.9 | ||
| 175 | G | 51 | Low | 50.2 | Low | 78 Ų | 78 | 143.6 Ų | 143.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -153.6 | 46.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 176 | A | 55 | Low | 48.4 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -160 | 83.2 | 164 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 177 | N | 47.2 | Very low | 46.8 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -153.5 | 81.9 | 146.4 | -124.1 | -9.7 | 0 | 0 | 0 | 109.9 | Q179 | N177-Q179 PolarHBondContact O-N 3.3Š| ||
| 178 | F | 42.1 | Very low | 45.5 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -81.8 | 91.7 | 165 | -160 | -93.5 | 0 | 0 | 0 | 106.7 | T180 | F178-T180 HydrophobicContact CD1-CG2 4Å; F178-T180 HydrophobicContact CE1-CG2 3.8Å | ||
| 179 | Q | 42.4 | Very low | 44.3 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -88.5 | 105.6 | 166.1 | -85.1 | -170.3 | 12.7 | 0 | 0 | 108.8 | N177 K181 | N177-Q179 PolarHBondContact O-N 3.3Å; Q179-K181 PolarHBondContact O-N 3.3Å | ||
| 180 | T | 43.9 | Very low | 43 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -60.5 | 121.2 | 160.3 | 38.6 | 0 | 0 | 0 | 0 | 109.3 | F178 | F178-T180 HydrophobicContact CD1-CG2 4Å; F178-T180 HydrophobicContact CE1-CG2 3.8Å | ||
| 181 | K | 40.8 | Very low | 41.8 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | trans | -124.1 | 105.9 | 161.1 | -78.4 | -172.4 | 179.2 | 177.4 | 0 | 107.8 | Q179 | Q179-K181 PolarHBondContact O-N 3.3Š| ||
| 182 | D | 41.6 | Very low | 40.6 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -105 | 141.9 | 167.1 | -103 | -41.1 | 0 | 0 | 0 | 111 | ||||
| 183 | T | 38.4 | Very low | 40.3 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 87.6 | 129.6 | 152.8 | 20.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 184 | K | 36.4 | Very low | 39.1 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 84.9 | 137.3 | 151.3 | -87.2 | -165.3 | 161.4 | -175 | 0 | 119.1 | ||||
| 185 | V | 33.9 | Very low | 38.2 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 65% | 0.648 | 79% | 0.785 | S | S | * | * | cis | 176.5 | 151.7 | -14.7 | 123.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 186 | L | 34.5 | Very low | 37.4 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | 77.6 | 114.1 | 158 | -80.9 | 153.5 | 0 | 0 | 0 | 122.3 | ||||
| 187 | A | 31.2 | Very low | 36.4 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | 67 | 125.3 | 129.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 188 | G | 30.8 | Very low | 35.9 | Very low | 82 Ų | 82 | 142.9 Ų | 142.9 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 173.6 | 117.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 189 | S | 31 | Very low | 35.8 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -73.9 | 141.6 | -169.3 | -176 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 190 | G | 29.9 | Very low | 36.1 | Very low | 64 Ų | 64 | 138.6 Ų | 138.6 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | 67.5 | 114.1 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 191 | H | 31.7 | Very low | 35.6 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | -178.6 | 139.7 | 117.6 | -118.1 | 65.3 | 0 | 0 | 0 | 111.6 | |||||
| 192 | Q | 32.2 | Very low | 35.6 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -123.4 | 169.1 | 164.5 | 169.1 | 173.9 | 67.9 | 0 | 0 | 104.7 | ||||
| 193 | P | 47.2 | Very low | 35.4 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | cis | -134.3 | -163.7 | 2.9 | 18.1 | 10.4 | 0 | 0 | 0 | 114.7 | ||||
| 194 | E | 29 | Very low | 35.4 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | 98 | 149.6 | 150.1 | -68.7 | -110.1 | 104.3 | 0 | 0 | 116.4 | ||||
| 195 | H | 32.4 | Very low | 35.2 | Very low | 169 Ų | 169 | 134 Ų | 134 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | cis | -175.4 | 142.9 | -29.4 | -151.6 | -76.2 | 0 | 0 | 0 | 101.9 | ||||
| 196 | G | 33.1 | Very low | 35.3 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 158.3 | 75.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 197 | K | 34.9 | Very low | 35.4 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -62.5 | 144.9 | 149 | -79 | 177.9 | 172.5 | -175.7 | 0 | 108.9 | ||||
| 198 | H | 36.1 | Very low | 35.9 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -172.8 | 116.2 | 132.3 | -84.5 | 119.6 | 0 | 0 | 0 | 110 | ||||
| 199 | S | 40.4 | Very low | 36.6 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -74.2 | 156.1 | 147.1 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 200 | P | 48.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | -142.1 | 179.9 | 119.9 | 32.7 | -14.7 | 0 | 0 | 0 | 113.7 | |||||
| 201 | A | 33.6 | Very low | 37.2 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -90.7 | 178.4 | -150.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 202 | A | 40.4 | Very low | 37.6 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -54.8 | 151.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 203 | H | 39 | Very low | 37.7 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 89% | 0.889 | 81% | 0.805 | S | S | * | * | trans | -138.6 | 143.6 | 153.6 | -90.3 | -82.5 | 0 | 0 | 0 | 111 | ||||
| 204 | H | 36.5 | Very low | 37.4 | Very low | 177 Ų | 177 | 146 Ų | 146 | 82% | 0.819 | 82% | 0.82 | S | S | * | * | trans | -75 | 156.6 | -170.6 | -74.1 | -100.5 | 0 | 0 | 0 | 115 | ||||
| 205 | S | 32.9 | Very low | 37.8 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | 130 | 145 | 116.3 | 71 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 206 | H | 37 | Very low | 38.4 | Very low | 178 Ų | 178 | 146 Ų | 146 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | -50.8 | 145.6 | -173.5 | -72.5 | -93.9 | 0 | 0 | 0 | 117.5 | ||||
| 207 | H | 36.6 | Very low | 38.4 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | trans | -143.3 | 129.9 | 137 | -127.1 | -84.8 | 0 | 0 | 0 | 110.9 | ||||
| 208 | K | 41.8 | Very low | 38.8 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 81% | 0.809 | 82% | 0.824 | S | S | * | * | trans | -93.8 | -176.2 | -179.1 | -144.7 | -156 | 160.4 | 177 | 0 | 109.3 | ||||
| 209 | P | 43.9 | Very low | 38.6 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 66% | 0.662 | 82% | 0.819 | S | S | * | * | -104.2 | 163.4 | -127 | 32.7 | -10.8 | 0 | 0 | 0 | 113 | |||||
| 210 | T | 38 | Very low | 38.4 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -88.7 | 116.9 | 164.2 | 39.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 211 | G | 36.2 | Very low | 37.8 | Very low | 71 Ų | 71 | 149.9 Ų | 149.9 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -91.9 | 141.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 212 | T | 39.9 | Very low | 38 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | -136.5 | 125.9 | 131.4 | 52.1 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 213 | G | 34.3 | Very low | 37.7 | Very low | 75 Ų | 75 | 157.6 Ų | 157.6 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | 113.5 | 66.6 | 24.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 214 | R | 40.4 | Very low | 37.5 | Very low | 258 Ų | 258 | 154.8 Ų | 154.8 | 97% | 0.974 | 81% | 0.81 | S | S | * | * | trans | -154 | 124.9 | 149.1 | -114.9 | 172.2 | 170.1 | 148.1 | -0.9 | 110.9 | ||||
| 215 | E | 37.8 | Very low | 37.5 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -93.3 | 160.9 | -160.6 | -161.1 | -178.3 | 136.7 | 0 | 0 | 112.3 | ||||
| 216 | L | 44.8 | Very low | 37.9 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -42 | 149.2 | 177.5 | -61.1 | 150.5 | 0 | 0 | 0 | 116.2 | ||||
| 217 | R | 33.6 | Very low | 38.1 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -144.8 | 99.6 | 136.3 | -133 | -177.5 | 176.6 | -166.5 | -2.4 | 112 | R219 | R217-R219 VanDerWaalsContact NH2-NH2 3.13Š| ||
| 218 | K | 42.4 | Very low | 38 | Very low | 177 Ų | 177 | 145 Ų | 145 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 133.4 | 156 | -177.3 | 175.9 | -176.2 | -178.4 | 0 | 107.8 | ||||
| 219 | R | 32 | Very low | 37.9 | Very low | 202 Ų | 202 | 142.4 Ų | 142.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -139.1 | 122.5 | 151.7 | -74.2 | -164.9 | 178.3 | -123.6 | -9.4 | 109.6 | R217 | R217-R219 VanDerWaalsContact NH2-NH2 3.13Š| ||
| 220 | S | 37 | Very low | 37.6 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -73.8 | 161.7 | 160.7 | -47.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 221 | A | 34.5 | Very low | 37.6 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 145.7 | 109.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 222 | E | 38.3 | Very low | 37.8 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | 38.4 | 98.2 | 65.4 | -72.8 | -172.7 | 130.1 | 0 | 0 | 112.2 | |||||
| 223 | D | 34.7 | Very low | 37.6 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | 149.5 | 141.8 | 108.3 | -153.4 | 7.6 | 0 | 0 | 0 | 112.3 | |||||
| 224 | D | 33.9 | Very low | 38.6 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 68.1 | 111.3 | 151.4 | -140.8 | 19.4 | 0 | 0 | 0 | 122 | ||||
| 225 | S | 36.9 | Very low | 38.6 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | -179.2 | 124.5 | 104.5 | 42.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 226 | A | 41.4 | Very low | 38.3 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -23 | 134.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 227 | T | 41.7 | Very low | 38.2 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | -134.2 | 100.4 | 124.7 | 36.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 228 | D | 33.4 | Very low | 38.6 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | trans | -62.6 | 132.1 | 161.1 | 179.3 | 17.2 | 0 | 0 | 0 | 110.6 | T230 | D228-T230 PolarHBondContact OD1-N 2.69Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å; D228-T230 PolarHBondContact OD2-OG1 2.74Å | ||
| 229 | C | 40.3 | Very low | 38.9 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 89% | 0.892 | 77% | 0.771 | S | S | * | * | trans | -139.3 | 75.6 | 152.5 | -77 | 0 | 0 | 0 | 0 | 107 | ||||
| 230 | T | 38.1 | Very low | 38.9 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 63% | 0.632 | 77% | 0.773 | S | S | * | * | trans | -47.1 | 158.9 | 148.6 | 18.3 | 0 | 0 | 0 | 0 | 111.1 | D228 | D228-T230 PolarHBondContact OD1-N 2.69Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å; D228-T230 PolarHBondContact OD2-OG1 2.74Å | ||
| 231 | D | 38.8 | Very low | 40.1 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | -174.1 | 157.9 | -8 | -163.7 | -24.1 | 0 | 0 | 0 | 106 | ||||
| 232 | S | 38.8 | Very low | 40.4 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | 69.4 | 141.3 | 147.7 | -69.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 233 | C | 36.7 | Very low | 40.5 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | cis | -166.7 | 149.2 | 26.8 | -144.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 234 | P | 54.3 | Low | 40.9 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -89.1 | 143 | 156 | 34.1 | -25.9 | 0 | 0 | 0 | 110 | ||||
| 235 | L | 40.3 | Very low | 41.3 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 156.2 | 130.1 | 145.4 | -84.4 | 174.5 | 0 | 0 | 0 | 110.3 | ||||
| 236 | G | 33.2 | Very low | 41.6 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -165 | 72.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 237 | L | 42.9 | Very low | 41.6 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -72.9 | 138 | 159.7 | -121.1 | 95.5 | 0 | 0 | 0 | 109 | ||||
| 238 | T | 41.8 | Very low | 41.6 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | 175.1 | 105.7 | 145.3 | 24.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 239 | A | 48.3 | Very low | 42.2 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | 78.2 | 105.5 | 77.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 240 | H | 32.5 | Very low | 42.3 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 52.8 | 154 | 139.1 | -82 | -68.2 | 0 | 0 | 0 | 120.9 | ||||
| 241 | P | 62.5 | Low | 42.7 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 100% | 1.195 | 82% | 0.818 | S | S | * | * | cis | -100.8 | 0 | 47.4 | -0.5 | 21.9 | 0 | 0 | 0 | 115.3 |
Retrieved 241 of 241 residues in 226.1 ms
(Link to these results)