| 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 | 46.8 | Very low | 39.1 | Very low | 243 Ų | 243 | 155.9 Ų | 155.9 | 100% | 1.197 | 82% | 0.821 | S | S | * | * | 0 | 100.5 | 0 | -71 | 175.6 | 168.2 | 0 | 0 | 108.2 | |||||
| 2 | P | 42.6 | Very low | 38.8 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -126.2 | 136.2 | 176.5 | 28.5 | -8.3 | 0 | 0 | 0 | 115.1 | ||||
| 3 | S | 39 | Very low | 38.4 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -4.2 | 136.6 | 149.3 | 53.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 4 | L | 35.2 | Very low | 37.9 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 53.7 | 159 | 137.7 | -89.4 | 84.9 | 0 | 0 | 0 | 121 | ||||
| 5 | P | 46 | Very low | 37.4 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | cis | -136.8 | 173.7 | -7.9 | 30.6 | -7.5 | 0 | 0 | 0 | 116.3 | ||||
| 6 | L | 42.5 | Very low | 36.9 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -7.3 | 123.5 | 150.9 | -129.3 | 82.1 | 0 | 0 | 0 | 117.4 | L8 | L6-L8 HydrophobicContact CD2-CD1 4.16Š| ||
| 7 | L | 37 | Very low | 36.6 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -114.6 | 94.5 | 165 | -128.3 | 134.3 | 0 | 0 | 0 | 108.9 | L9 | L7-L9 HydrophobicContact CD2-CD1 3.67Å; L7-L9 HydrophobicContact CD2-CG 4.07Å; L7-L9 PolarHBondContact O-N 3.19Å | ||
| 8 | L | 38.2 | Very low | 36.2 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 108.4 | 162.4 | -96 | 150.4 | 0 | 0 | 0 | 107.7 | L6 | L6-L8 HydrophobicContact CD2-CD1 4.16Š| ||
| 9 | L | 36.7 | Very low | 36.1 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | -109.9 | 110.8 | 163.2 | -100 | 156.4 | 0 | 0 | 0 | 108 | L7 W11 | L7-L9 HydrophobicContact CD2-CD1 3.67Å; L7-L9 HydrophobicContact CD2-CG 4.07Å; L7-L9 PolarHBondContact O-N 3.19Å; L9-W11 PolarHBondContact O-N 3Å | ||
| 10 | L | 33.6 | Very low | 35.9 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -48.7 | 115.1 | 175.1 | -83.3 | 90.3 | 0 | 0 | 0 | 110.7 | G12 | L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 3.32Å | ||
| 11 | W | 32.2 | Very low | 35.8 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -78.1 | 92.8 | 150.2 | -81.4 | 42.5 | 0 | 0 | 0 | 107.1 | L9 T13 | L9-W11 PolarHBondContact O-N 3Å; W11-T13 HydrophobicContact CE3-CG2 4.21Å; W11-T13 PolarHBondContact O-N 2.83Å | ||
| 12 | G | 35.6 | Very low | 35.4 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -71.8 | 79.1 | 158 | 0 | 0 | 0 | 0 | 0 | 108.1 | L10 S14 | L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 3.32Å; G12-S14 VanDerWaalsContact C-N 3.35Å; G12-S14 PolarHBondContact O-N 2.99Å; G12-S14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | T | 34.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 138 Ų | 138 | 59% | 0.589 | 75% | 0.748 | S | S | * | * | trans | -68.9 | 105.1 | 158.6 | 51.4 | 0 | 0 | 0 | 0 | 105.6 | W11 S15 | W11-T13 HydrophobicContact CE3-CG2 4.21Å; W11-T13 PolarHBondContact O-N 2.83Å; T13-S15 PolarHBondContact O-N 3.03Å | ||
| 14 | S | 31.5 | Very low | 36.1 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -57.7 | 86.2 | 156.8 | -58.9 | 0 | 0 | 0 | 0 | 107.3 | G12 Y16 | G12-S14 VanDerWaalsContact C-N 3.35Å; G12-S14 PolarHBondContact O-N 2.99Å; G12-S14 VanDerWaalsContact O-N 3.08Å; S14-Y16 PolarHBondContact O-N 3.35Å | ||
| 15 | S | 30.7 | Very low | 37.6 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -66.9 | 92.4 | 158.7 | -65.8 | 0 | 0 | 0 | 0 | 105.1 | T13 A17 | T13-S15 PolarHBondContact O-N 3.03Å; S15-A17 PolarHBondContact O-N 3.3Å | ||
| 16 | Y | 29.5 | Very low | 38.7 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | trans | -60.3 | 98.2 | 156.8 | -77.7 | -84.7 | 0 | 0 | 0 | 105.2 | S14 F18 | S14-Y16 PolarHBondContact O-N 3.35Å; Y16-F18 VanDerWaalsContact C-N 3.29Å; Y16-F18 PolarHBondContact O-N 2.83Å | ||
| 17 | A | 31 | Very low | 40.4 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | -56.8 | 105.4 | 158 | 0 | 0 | 0 | 0 | 0 | 105 | S15 | S15-A17 PolarHBondContact O-N 3.3Š| ||
| 18 | F | 30 | Very low | 42.6 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -52.7 | 128.8 | 160.8 | -80.6 | -87.1 | 0 | 0 | 0 | 105.8 | Y16 V20 | Y16-F18 VanDerWaalsContact C-N 3.29Å; Y16-F18 PolarHBondContact O-N 2.83Å; F18-V20 PolarHBondContact O-N 3.28Å | ||
| 19 | P | 33.6 | Very low | 44.7 | Very low | 90 Ų | 90 | 126 Ų | 126 | 58% | 0.584 | 67% | 0.665 | S | S | * | * | trans | -57 | 119.6 | 171.3 | 23.6 | -29.3 | 0 | 0 | 0 | 106.2 | F21 | P19-F21 HydrophobicContact CG-CE2 4.01Å; P19-F21 HydrophobicContact CG-CZ 4.31Å; P19-F21 WeakPolarHBondContact O-CD2 3.41Å; P19-F21 PolarHBondContact O-N 3.34Å | ||
| 20 | V | 32 | Very low | 47 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 85% | 0.848 | 65% | 0.651 | S | S | * | * | trans | -61.2 | 99.6 | 165.5 | 175.1 | 0 | 0 | 0 | 0 | 104.4 | F18 E22 | F18-V20 PolarHBondContact O-N 3.28Å; V20-E22 PolarHBondContact O-N 2.79Å | ||
| 21 | F | 33.7 | Very low | 49.5 | Very low | 154 Ų | 154 | 118 Ų | 118 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | trans | -62.8 | 121 | 169.4 | -75.3 | -86.3 | 0 | 0 | 0 | 106.3 | P19 E23 | P19-F21 HydrophobicContact CG-CE2 4.01Å; P19-F21 HydrophobicContact CG-CZ 4.31Å; P19-F21 WeakPolarHBondContact O-CD2 3.41Å; P19-F21 PolarHBondContact O-N 3.34Å; F21-E23 PolarHBondContact O-N 3.28Å | ||
| 22 | E | 38.1 | Very low | 52.3 | Low | 143 Ų | 143 | 106.9 Ų | 106.9 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | trans | -51.2 | 128 | 169.3 | -78.7 | 179.9 | 154.1 | 0 | 0 | 108.4 | V20 G24 H25 | V20-E22 PolarHBondContact O-N 2.79Å; E22-G24 PolarHBondContact O-N 2.71Å; E22-H25 PolarHBondContact O-N 3.04Å; E22-H25 IonicContact OE2-CD2 2.87Å | ||
| 23 | E | 42.8 | Very low | 54.8 | Low | 179 Ų | 179 | 107.6 Ų | 107.6 | 84% | 0.836 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -52.4 | -33.1 | -169.3 | -141.9 | 162 | -166.3 | 0 | 0 | 112.7 | F21 R26 Q27 | F21-E23 PolarHBondContact O-N 3.28Å; E23-R26 PolarHBondContact O-N 3.29Å; E23-Q27 PolarHBondContact O-N 3.12Å |
| 24 | G | 54.8 | Low | 57.4 | Low | 42 Ų | 42 | 109.3 Ų | 109.3 | 43% | 0.433 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.5 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E22 R26 Q27 D28 | E22-G24 PolarHBondContact O-N 2.71Å; G24-R26 VanDerWaalsContact C-N 3.28Å; G24-R26 PolarHBondContact O-N 3.47Å; G24-Q27 PolarHBondContact O-N 3.03Å; G24-D28 PolarHBondContact O-N 3.11Å |
| 25 | H | 65.1 | Low | 60.4 | Low | 121 Ų | 121 | 104.5 Ų | 104.5 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.9 | -30 | 178.3 | -90.1 | -62 | 0 | 0 | 0 | 112.5 | E22 V29 | E22-H25 PolarHBondContact O-N 3.04Å; E22-H25 IonicContact OE2-CD2 2.87Å; H25-V29 VanDerWaalsContact O-CG2 3.3Å; H25-V29 WeakPolarHBondContact O-CG2 3.2Å; H25-V29 PolarHBondContact O-N 2.83Å |
| 26 | R | 69.3 | Low | 63.3 | Low | 164 Ų | 164 | 99.5 Ų | 99.5 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.2 | -44.3 | 178.2 | -175.9 | 178.3 | 174.9 | 164 | 1.8 | 111.7 | E23 G24 D28 V29 E30 | E23-R26 PolarHBondContact O-N 3.29Å; G24-R26 VanDerWaalsContact C-N 3.28Å; G24-R26 PolarHBondContact O-N 3.47Å; R26-D28 VanDerWaalsContact C-N 3.31Å; R26-D28 PolarHBondContact O-N 3.45Å; R26-V29 PolarHBondContact O-N 3.22Å; R26-E30 IonicContact CZ-OE1 3.93Å; R26-E30 IonicContact NE-OE1 3.07Å; R26-E30 PolarHBondContact NE-OE1 2.88Å; R26-E30 VanDerWaalsContact NE-OE1 3.07Å; R26-E30 IonicContact NH2-OE1 3.89Å; R26-E30 WeakPolarHBondContact O-CG 3.38Å; R26-E30 PolarHBondContact O-N 2.76Å |
| 27 | Q | 78 | Confident | 66.1 | Low | 130 Ų | 130 | 92.7 Ų | 92.7 | 61% | 0.607 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 179.5 | -172.5 | 170.9 | 5.9 | 0 | 0 | 112.3 | E23 G24 E30 T31 | E23-Q27 PolarHBondContact O-N 3.12Å; G24-Q27 PolarHBondContact O-N 3.03Å; Q27-E30 PolarHBondContact O-N 3.28Å; Q27-T31 WeakPolarHBondContact O-CB 3.35Å; Q27-T31 PolarHBondContact O-N 3.48Å; Q27-T31 PolarHBondContact O-OG1 2.94Å |
| 28 | D | 83.3 | Confident | 68.9 | Low | 39 Ų | 39 | 92.6 Ų | 92.6 | 21% | 0.209 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 176.6 | -75.3 | -21.6 | 0 | 0 | 0 | 112.4 | G24 R26 T32 L81 R85 | G24-D28 PolarHBondContact O-N 3.11Å; R26-D28 VanDerWaalsContact C-N 3.31Å; R26-D28 PolarHBondContact O-N 3.45Å; D28-T32 WeakPolarHBondContact O-CB 3.04Å; D28-T32 PolarHBondContact O-N 2.79Å; D28-T32 PolarHBondContact O-OG1 2.98Å; D28-L81 HydrophobicContact CB-CD1 3.9Å; D28-L81 HydrophobicContact CB-CD2 4.04Å; D28-L81 WeakPolarHBondContact OD2-CD1 3.35Å; D28-R85 IonicContact OD1-NH2 3.43Å; D28-R85 PolarHBondContact OD1-NH2 2.76Å |
| 29 | V | 82.8 | Confident | 71.9 | Confident | 70 Ų | 70 | 84.3 Ų | 84.3 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | H25 R26 T32 W33 M57 | H25-V29 VanDerWaalsContact O-CG2 3.3Å; H25-V29 WeakPolarHBondContact O-CG2 3.2Å; H25-V29 PolarHBondContact O-N 2.83Å; R26-V29 PolarHBondContact O-N 3.22Å; V29-T32 PolarHBondContact O-N 3.16Å; V29-W33 WeakPolarHBondContact O-CB 3.32Å; V29-W33 PolarHBondContact O-N 2.82Å; V29-M57 HydrophobicContact CG1-CE 4.34Å |
| 30 | E | 84.6 | Confident | 74.6 | Confident | 92 Ų | 92 | 80.1 Ų | 80.1 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177.5 | -71.5 | 175.1 | -168 | 0 | 0 | 111.8 | R26 Q27 W33 K34 | R26-E30 IonicContact CZ-OE1 3.93Å; R26-E30 IonicContact NE-OE1 3.07Å; R26-E30 PolarHBondContact NE-OE1 2.88Å; R26-E30 VanDerWaalsContact NE-OE1 3.07Å; R26-E30 IonicContact NH2-OE1 3.89Å; R26-E30 WeakPolarHBondContact O-CG 3.38Å; R26-E30 PolarHBondContact O-N 2.76Å; Q27-E30 PolarHBondContact O-N 3.28Å; E30-W33 PolarHBondContact O-N 3.31Å; E30-K34 WeakPolarHBondContact O-CG 3.23Å; E30-K34 PolarHBondContact O-N 2.77Å |
| 31 | T | 86.5 | Confident | 77.2 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 24% | 0.239 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | Q27 W33 K34 Y35 | Q27-T31 WeakPolarHBondContact O-CB 3.35Å; Q27-T31 PolarHBondContact O-N 3.48Å; Q27-T31 PolarHBondContact O-OG1 2.94Å; T31-W33 VanDerWaalsContact C-N 3.34Å; T31-W33 PolarHBondContact O-N 2.92Å; T31-K34 PolarHBondContact O-N 2.92Å; T31-Y35 WeakPolarHBondContact O-CB 3.43Å; T31-Y35 PolarHBondContact O-N 3.19Å |
| 32 | T | 90.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | -180 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | D28 V29 Y35 L36 M57 L61 S76 M84 | D28-T32 WeakPolarHBondContact O-CB 3.04Å; D28-T32 PolarHBondContact O-N 2.79Å; D28-T32 PolarHBondContact O-OG1 2.98Å; V29-T32 PolarHBondContact O-N 3.16Å; T32-Y35 PolarHBondContact O-N 3.05Å; T32-L36 HydrophobicContact CG2-CD1 3.9Å; T32-L36 HydrophobicContact CG2-CG 4.47Å; T32-L36 VanDerWaalsContact O-CG 3.24Å; T32-L36 WeakPolarHBondContact O-CG 3.46Å; T32-L36 PolarHBondContact O-N 3.33Å; T32-L36 VanDerWaalsContact O-N 3.12Å; T32-M57 VanDerWaalsContact CB-CE 3.41Å; T32-M57 HydrophobicContact CG2-CE 3.22Å; T32-L61 HydrophobicContact CG2-CD1 4.19Å; T32-L61 HydrophobicContact CG2-CD2 3.67Å; T32-L61 HydrophobicContact CG2-CG 4.13Å; T32-S76 WeakPolarHBondContact OG1-CB 3.34Å; T32-M84 HydrophobicContact CG2-CE 3.97Å; T32-M84 HydrophobicContact CG2-SD 4.06Å |
| 33 | W | 89.1 | Confident | 81.2 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 31% | 0.311 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -53.1 | 179.4 | -173.6 | -81.8 | 0 | 0 | 0 | 111.1 | V29 E30 T31 Y35 L36 E37 L42 M57 | V29-W33 WeakPolarHBondContact O-CB 3.32Å; V29-W33 PolarHBondContact O-N 2.82Å; E30-W33 PolarHBondContact O-N 3.31Å; T31-W33 VanDerWaalsContact C-N 3.34Å; T31-W33 PolarHBondContact O-N 2.92Å; W33-Y35 VanDerWaalsContact C-N 3.32Å; W33-Y35 PolarHBondContact O-N 2.88Å; W33-L36 PolarHBondContact O-N 2.73Å; W33-L36 VanDerWaalsContact O-N 3.1Å; W33-E37 PolarHBondContact NE1-OE1 3Å; W33-E37 WeakPolarHBondContact O-CG 3.24Å; W33-E37 PolarHBondContact O-N 3.3Å; W33-L42 HydrophobicContact CD2-CD2 3.57Å; W33-L42 HydrophobicContact CE3-CD2 3.78Å; W33-L42 HydrophobicContact CG-CD2 4.12Å; W33-L42 HydrophobicContact CH2-CD2 3.94Å; W33-L42 HydrophobicContact CZ2-CD2 3.74Å; W33-L42 HydrophobicContact CZ3-CD2 3.96Å; W33-M57 HydrophobicContact CE3-SD 4.22Å; W33-M57 HydrophobicContact CZ3-CB 4.41Å |
| 34 | K | 89.1 | Confident | 81.9 | Confident | 132 Ų | 132 | 63.3 Ų | 63.3 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.1 | -42.2 | 177.9 | -72.3 | -179.9 | 177 | -175.9 | 0 | 112.6 | E30 T31 L36 E37 N38 | E30-K34 WeakPolarHBondContact O-CG 3.23Å; E30-K34 PolarHBondContact O-N 2.77Å; T31-K34 PolarHBondContact O-N 2.92Å; K34-L36 VanDerWaalsContact C-N 3.3Å; K34-L36 PolarHBondContact O-N 2.86Å; K34-E37 WeakPolarHBondContact O-CB 3.47Å; K34-E37 PolarHBondContact O-N 3.01Å; K34-N38 PolarHBondContact O-N 2.91Å |
| 35 | Y | 92.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.4 | -47.5 | 175.5 | -169.4 | -79 | 0 | 0 | 0 | 111.5 | T31 T32 W33 N38 Y39 Y40 M64 F68 M84 R88 Y176 | T31-Y35 WeakPolarHBondContact O-CB 3.43Å; T31-Y35 PolarHBondContact O-N 3.19Å; T32-Y35 PolarHBondContact O-N 3.05Å; W33-Y35 VanDerWaalsContact C-N 3.32Å; W33-Y35 PolarHBondContact O-N 2.88Å; Y35-N38 PolarHBondContact O-N 2.95Å; Y35-Y39 AromaticContact CD1-CD2 3.85Å; Y35-Y39 HydrophobicContact CD1-CD2 3.85Å; Y35-Y39 AromaticContact CD2-CD2 3.96Å; Y35-Y39 HydrophobicContact CD2-CD2 3.96Å; Y35-Y39 HydrophobicContact CD2-CE2 4.01Å; Y35-Y39 AromaticContact CE1-CD2 3.82Å; Y35-Y39 HydrophobicContact CE1-CD2 3.82Å; Y35-Y39 HydrophobicContact CE1-CG 4.5Å; Y35-Y39 AromaticContact CE2-CD2 3.86Å; Y35-Y39 HydrophobicContact CE2-CD2 3.86Å; Y35-Y39 AromaticContact CE2-CE2 3.94Å; Y35-Y39 HydrophobicContact CE2-CE2 3.94Å; Y35-Y39 AromaticContact CG-CD2 3.91Å; Y35-Y39 HydrophobicContact CG-CD2 3.91Å; Y35-Y39 HydrophobicContact CG-CE2 4.34Å; Y35-Y39 AromaticContact CZ-CD2 3.79Å; Y35-Y39 WeakPolarHBondContact O-CD2 3.49Å; Y35-Y39 PolarHBondContact O-N 2.82Å; Y35-Y40 HydrophobicContact CD1-CD2 4.31Å; Y35-Y40 HydrophobicContact CD1-CE2 4.3Å; Y35-Y40 HydrophobicContact CE1-CD2 4.18Å; Y35-Y40 AromaticContact CE1-CE2 3.72Å; Y35-Y40 HydrophobicContact CE1-CE2 3.72Å; Y35-M64 HydrophobicContact CD1-CG 4.5Å; Y35-M64 HydrophobicContact CE1-CE 4.05Å; Y35-M64 HydrophobicContact CE1-CG 3.83Å; Y35-F68 WeakPolarHBondContact OH-CZ 3.45Å; Y35-M84 HydrophobicContact CD1-CE 3.86Å; Y35-M84 HydrophobicContact CD1-CG 4.01Å; Y35-M84 HydrophobicContact CD1-SD 4.37Å; Y35-M84 HydrophobicContact CD2-CB 3.55Å; Y35-M84 HydrophobicContact CD2-CG 3.58Å; Y35-M84 HydrophobicContact CD2-SD 4.41Å; Y35-M84 HydrophobicContact CE1-CE 4.36Å; Y35-M84 HydrophobicContact CE1-CG 4.14Å; Y35-M84 VanDerWaalsContact CE2-CA 3.48Å; Y35-M84 HydrophobicContact CE2-CB 3.81Å; Y35-M84 HydrophobicContact CE2-CG 3.82Å; Y35-M84 WeakPolarHBondContact CE2-O 3.28Å; Y35-M84 HydrophobicContact CG-CB 4.17Å; Y35-M84 HydrophobicContact CG-CE 4.16Å; Y35-M84 HydrophobicContact CG-CG 3.74Å; Y35-M84 HydrophobicContact CG-SD 4.08Å; Y35-R88 PolarHBondContact OH-NH1 2.71Å; Y35-Y176 WeakPolarHBondContact CD2-OH 3.48Å |
| 36 | L | 92.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.1 | -28.1 | -177.3 | -60.9 | 169.4 | 0 | 0 | 0 | 112.5 | T32 W33 K34 Y40 N41 L42 M57 K60 L61 M64 M84 | T32-L36 HydrophobicContact CG2-CD1 3.9Å; T32-L36 HydrophobicContact CG2-CG 4.47Å; T32-L36 VanDerWaalsContact O-CG 3.24Å; T32-L36 WeakPolarHBondContact O-CG 3.46Å; T32-L36 PolarHBondContact O-N 3.33Å; T32-L36 VanDerWaalsContact O-N 3.12Å; W33-L36 PolarHBondContact O-N 2.73Å; W33-L36 VanDerWaalsContact O-N 3.1Å; K34-L36 VanDerWaalsContact C-N 3.3Å; K34-L36 PolarHBondContact O-N 2.86Å; L36-Y40 HydrophobicContact CD2-CD2 3.85Å; L36-Y40 HydrophobicContact CD2-CG 3.96Å; L36-Y40 CarbonylContact O-C 3.58Å; L36-Y40 VanDerWaalsContact O-C 3.29Å; L36-Y40 VanDerWaalsContact O-CA 3.32Å; L36-Y40 WeakPolarHBondContact O-CA 3.44Å; L36-Y40 WeakPolarHBondContact O-CB 3.24Å; L36-Y40 PolarHBondContact O-N 3.04Å; L36-N41 PolarHBondContact O-N 3.43Å; L36-L42 HydrophobicContact CB-CB 4.11Å; L36-L42 HydrophobicContact CB-CD1 4.44Å; L36-L42 HydrophobicContact CB-CD2 4.14Å; L36-L42 HydrophobicContact CB-CG 4.48Å; L36-L42 WeakPolarHBondContact O-CB 3.48Å; L36-L42 PolarHBondContact O-N 2.93Å; L36-L42 VanDerWaalsContact O-N 3.12Å; L36-M57 HydrophobicContact CD1-CG 3.84Å; L36-K60 HydrophobicContact CB-CB 4.35Å; L36-K60 HydrophobicContact CD1-CB 4.17Å; L36-K60 HydrophobicContact CD2-CB 3.92Å; L36-K60 HydrophobicContact CG-CB 4.36Å; L36-L61 HydrophobicContact CD1-CD2 4.25Å; L36-L61 HydrophobicContact CD1-CG 3.88Å; L36-M64 HydrophobicContact CD2-CB 4.3Å; L36-M84 HydrophobicContact CD2-CE 4.33Å |
| 37 | E | 89 | Confident | 79.8 | Confident | 58 Ų | 58 | 60.7 Ų | 60.7 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 169.2 | -72 | -179.8 | 141.7 | 0 | 0 | 110.9 | W33 K34 L42 N43 | W33-E37 PolarHBondContact NE1-OE1 3Å; W33-E37 WeakPolarHBondContact O-CG 3.24Å; W33-E37 PolarHBondContact O-N 3.3Å; K34-E37 WeakPolarHBondContact O-CB 3.47Å; K34-E37 PolarHBondContact O-N 3.01Å; E37-L42 HydrophobicContact CG-CB 4.16Å; E37-L42 HydrophobicContact CG-CD2 4.07Å; E37-N43 VanDerWaalsContact CD-ND2 3.29Å; E37-N43 WeakPolarHBondContact CG-ND2 3.45Å; E37-N43 PolarHBondContact OE1-ND2 3.49Å; E37-N43 PolarHBondContact OE1-OD1 2.78Å |
| 38 | N | 88.8 | Confident | 78.4 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.5 | -46.5 | -176.1 | -68.2 | -4.8 | 0 | 0 | 0 | 112 | K34 Y35 | K34-N38 PolarHBondContact O-N 2.91Å; Y35-N38 PolarHBondContact O-N 2.95Å |
| 39 | Y | 92.4 | Very high | 76.9 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.027 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -107.9 | -18.5 | -167.1 | -52.1 | -63 | 0 | 0 | 0 | 114.7 | Y35 R88 S92 D93 Y176 | Y35-Y39 AromaticContact CD1-CD2 3.85Å; Y35-Y39 HydrophobicContact CD1-CD2 3.85Å; Y35-Y39 AromaticContact CD2-CD2 3.96Å; Y35-Y39 HydrophobicContact CD2-CD2 3.96Å; Y35-Y39 HydrophobicContact CD2-CE2 4.01Å; Y35-Y39 AromaticContact CE1-CD2 3.82Å; Y35-Y39 HydrophobicContact CE1-CD2 3.82Å; Y35-Y39 HydrophobicContact CE1-CG 4.5Å; Y35-Y39 AromaticContact CE2-CD2 3.86Å; Y35-Y39 HydrophobicContact CE2-CD2 3.86Å; Y35-Y39 AromaticContact CE2-CE2 3.94Å; Y35-Y39 HydrophobicContact CE2-CE2 3.94Å; Y35-Y39 AromaticContact CG-CD2 3.91Å; Y35-Y39 HydrophobicContact CG-CD2 3.91Å; Y35-Y39 HydrophobicContact CG-CE2 4.34Å; Y35-Y39 AromaticContact CZ-CD2 3.79Å; Y35-Y39 WeakPolarHBondContact O-CD2 3.49Å; Y35-Y39 PolarHBondContact O-N 2.82Å; Y39-R88 VanDerWaalsContact CD1-CZ 3.47Å; Y39-S92 PolarHBondContact O-OG 3.31Å; Y39-D93 PolarHBondContact O-N 2.7Å; Y39-Y176 AromaticContact CE2-CE1 3.89Å; Y39-Y176 HydrophobicContact CE2-CE1 3.89Å; Y39-Y176 WeakPolarHBondContact OH-CE1 3.46Å |
| 40 | Y | 91.5 | Very high | 75.6 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -122.5 | 12.9 | -172.5 | -71.2 | -96.8 | 0 | 0 | 0 | 113.9 | Y35 L36 L42 K60 Q63 M64 L67 D93 V94 | Y35-Y40 HydrophobicContact CD1-CD2 4.31Å; Y35-Y40 HydrophobicContact CD1-CE2 4.3Å; Y35-Y40 HydrophobicContact CE1-CD2 4.18Å; Y35-Y40 AromaticContact CE1-CE2 3.72Å; Y35-Y40 HydrophobicContact CE1-CE2 3.72Å; L36-Y40 HydrophobicContact CD2-CD2 3.85Å; L36-Y40 HydrophobicContact CD2-CG 3.96Å; L36-Y40 CarbonylContact O-C 3.58Å; L36-Y40 VanDerWaalsContact O-C 3.29Å; L36-Y40 VanDerWaalsContact O-CA 3.32Å; L36-Y40 WeakPolarHBondContact O-CA 3.44Å; L36-Y40 WeakPolarHBondContact O-CB 3.24Å; L36-Y40 PolarHBondContact O-N 3.04Å; Y40-L42 VanDerWaalsContact C-N 3.26Å; Y40-L42 PolarHBondContact O-N 3.34Å; Y40-K60 WeakPolarHBondContact O-CD 3.4Å; Y40-K60 VanDerWaalsContact O-CE 3.32Å; Y40-K60 WeakPolarHBondContact O-CE 3.47Å; Y40-K60 PolarHBondContact O-NZ 2.93Å; Y40-Q63 HydrophobicContact CD1-CB 3.92Å; Y40-Q63 HydrophobicContact CE1-CB 3.96Å; Y40-M64 HydrophobicContact CD1-CB 4.29Å; Y40-M64 HydrophobicContact CD2-CB 4.31Å; Y40-M64 VanDerWaalsContact CE1-CA 3.41Å; Y40-M64 HydrophobicContact CE1-CB 3.67Å; Y40-M64 HydrophobicContact CE1-CG 4.43Å; Y40-M64 VanDerWaalsContact CE1-N 3.34Å; Y40-M64 HydrophobicContact CE2-CB 3.76Å; Y40-M64 HydrophobicContact CE2-CG 3.74Å; Y40-M64 VanDerWaalsContact CZ-CA 3.4Å; Y40-M64 VanDerWaalsContact OH-CA 3.32Å; Y40-M64 WeakPolarHBondContact OH-CA 3.33Å; Y40-L67 VanDerWaalsContact OH-CD2 3.32Å; Y40-L67 WeakPolarHBondContact OH-CD2 3.12Å; Y40-D93 HydrophobicContact CE1-CB 3.96Å; Y40-D93 HydrophobicContact CE2-CB 3.81Å; Y40-D93 WeakPolarHBondContact CE2-OD2 3.33Å; Y40-D93 VanDerWaalsContact CZ-CB 3.45Å; Y40-D93 WeakPolarHBondContact OH-CB 3.49Å; Y40-D93 VanDerWaalsContact OH-CG 3.32Å; Y40-D93 PolarHBondContact OH-OD2 3.29Å; Y40-V94 HydrophobicContact CD1-CG1 3.66Å; Y40-V94 HydrophobicContact CE1-CG1 4.11Å; Y40-V94 HydrophobicContact CG-CG1 4.42Å |
| 41 | N | 86.2 | Confident | 74.4 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | trans | 54 | 37.1 | 178.3 | -72.9 | -48 | 0 | 0 | 0 | 113.3 | L36 N43 K44 V94 | L36-N41 PolarHBondContact O-N 3.43Å; N41-N43 PolarHBondContact O-N 3.19Å; N41-N43 VanDerWaalsContact O-N 3.08Å; N41-K44 HydrophobicContact CB-CB 4.41Å; N41-K44 HydrophobicContact CB-CD 4.38Å; N41-K44 PolarHBondContact O-N 3.07Å; N41-K44 VanDerWaalsContact O-N 3.16Å; N41-K44 PolarHBondContact OD1-NZ 2.73Å; N41-V94 HydrophobicContact CB-CG2 4.13Å; N41-V94 VanDerWaalsContact ND2-CG2 3.33Å; N41-V94 WeakPolarHBondContact ND2-CG2 3.48Å | ||
| 42 | L | 83.5 | Confident | 73.6 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -37.1 | -176.3 | -173.7 | 71.5 | 0 | 0 | 0 | 113.3 | W33 L36 E37 Y40 L56 K60 | W33-L42 HydrophobicContact CD2-CD2 3.57Å; W33-L42 HydrophobicContact CE3-CD2 3.78Å; W33-L42 HydrophobicContact CG-CD2 4.12Å; W33-L42 HydrophobicContact CH2-CD2 3.94Å; W33-L42 HydrophobicContact CZ2-CD2 3.74Å; W33-L42 HydrophobicContact CZ3-CD2 3.96Å; L36-L42 HydrophobicContact CB-CB 4.11Å; L36-L42 HydrophobicContact CB-CD1 4.44Å; L36-L42 HydrophobicContact CB-CD2 4.14Å; L36-L42 HydrophobicContact CB-CG 4.48Å; L36-L42 WeakPolarHBondContact O-CB 3.48Å; L36-L42 PolarHBondContact O-N 2.93Å; L36-L42 VanDerWaalsContact O-N 3.12Å; E37-L42 HydrophobicContact CG-CB 4.16Å; E37-L42 HydrophobicContact CG-CD2 4.07Å; Y40-L42 VanDerWaalsContact C-N 3.26Å; Y40-L42 PolarHBondContact O-N 3.34Å; L42-L56 HydrophobicContact CD1-CB 4.46Å; L42-L56 HydrophobicContact CD1-CD2 4.07Å; L42-L56 HydrophobicContact CD1-CG 3.74Å; L42-L56 WeakPolarHBondContact O-CD2 3.33Å; L42-K60 HydrophobicContact CD1-CB 4.2Å; L42-K60 HydrophobicContact CD1-CG 3.64Å |
| 43 | N | 72.5 | Confident | 72.8 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -15.5 | -174.9 | -70.4 | -20.8 | 0 | 0 | 0 | 115.3 | E37 N41 D45 T46 | E37-N43 VanDerWaalsContact CD-ND2 3.29Å; E37-N43 WeakPolarHBondContact CG-ND2 3.45Å; E37-N43 PolarHBondContact OE1-ND2 3.49Å; E37-N43 PolarHBondContact OE1-OD1 2.78Å; N41-N43 PolarHBondContact O-N 3.19Å; N41-N43 VanDerWaalsContact O-N 3.08Å; N43-D45 VanDerWaalsContact C-N 3.35Å; N43-T46 PolarHBondContact O-OG1 2.98Å |
| 44 | K | 57.7 | Low | 72.2 | Confident | 156 Ų | 156 | 72 Ų | 72 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.9 | -175.4 | -69.9 | -178 | -177.3 | 160 | 0 | 113.8 | N41 | N41-K44 HydrophobicContact CB-CB 4.41Å; N41-K44 HydrophobicContact CB-CD 4.38Å; N41-K44 PolarHBondContact O-N 3.07Å; N41-K44 VanDerWaalsContact O-N 3.16Å; N41-K44 PolarHBondContact OD1-NZ 2.73Å |
| 45 | D | 53 | Low | 71.9 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 47% | 0.465 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 12.6 | 179.7 | -66.5 | -31.3 | 0 | 0 | 0 | 113.4 | N43 A47 L56 K60 | N43-D45 VanDerWaalsContact C-N 3.35Å; D45-A47 PolarHBondContact O-N 2.78Å; D45-L56 HydrophobicContact CB-CD1 4.24Å; D45-K60 WeakPolarHBondContact OD2-CE 3.49Å; D45-K60 IonicContact OD2-NZ 2.67Å; D45-K60 PolarHBondContact OD2-NZ 3.29Å |
| 46 | T | 49.1 | Very low | 71.5 | Confident | 89 Ų | 89 | 72.2 Ų | 72.2 | 55% | 0.546 | 41% | 0.414 | S | S | . | . | trans | -81 | 6.4 | -177.4 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | N43 | N43-T46 PolarHBondContact O-OG1 2.98Š| ||
| 47 | A | 43.4 | Very low | 71.2 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 79% | 0.793 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -98.6 | 88.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | D45 | D45-A47 PolarHBondContact O-N 2.78Š|
| 48 | G | 47.4 | Very low | 71.3 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 108.3 | 109.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 49 | N | 51.6 | Low | 71.4 | Confident | 165 Ų | 165 | 71 Ų | 71 | 88% | 0.882 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 65.1 | 75 | -178.4 | -66.9 | -18 | 0 | 0 | 0 | 114.7 | P51 | N49-P51 WeakPolarHBondContact O-CD 3.35Š|
| 50 | N | 55.8 | Low | 71.3 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 68% | 0.684 | 42% | 0.417 | S | S | * | . | trans | -58.9 | 109.2 | -174.9 | -80.3 | -9.8 | 0 | 0 | 0 | 114.1 | ||||
| 51 | P | 60 | Low | 71.4 | Confident | 65 Ų | 65 | 71.4 Ų | 71.4 | 42% | 0.422 | 42% | 0.418 | S | S | . | . | trans | -57.2 | 152.2 | 149.5 | 25.9 | -32.4 | 0 | 0 | 0 | 109.3 | N49 E55 L56 | N49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-E55 HydrophobicContact CB-CB 4.02Å; P51-L56 HydrophobicContact CG-CB 4.41Å | ||
| 52 | S | 69.3 | Low | 71.8 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | trans | -58.5 | 145.9 | 172.6 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | K54 E55 L56 | S52-K54 PolarHBondContact O-N 3.29Å; S52-E55 PolarHBondContact N-OE2 3.34Å; S52-E55 WeakPolarHBondContact O-CB 3.13Å; S52-E55 PolarHBondContact O-N 3.02Å; S52-E55 VanDerWaalsContact OG-CD 3.28Å; S52-E55 VanDerWaalsContact OG-CG 3.31Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.07Å; S52-E55 PolarHBondContact OG-OE2 3.25Å; S52-L56 PolarHBondContact O-N 2.87Å; S52-L56 VanDerWaalsContact O-N 3.12Å | ||
| 53 | G | 73 | Confident | 72.3 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 39% | 0.392 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -53.2 | -27 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M57 | G53-M57 WeakPolarHBondContact O-CB 3.34Å; G53-M57 PolarHBondContact O-N 2.99Å |
| 54 | K | 77.3 | Confident | 73.3 | Confident | 169 Ų | 169 | 74.6 Ų | 74.6 | 74% | 0.735 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 172.6 | -172.1 | 178.4 | -179.2 | 179.9 | 0 | 113.5 | S52 A58 | S52-K54 PolarHBondContact O-N 3.29Å; K54-A58 VanDerWaalsContact O-CB 3.29Å; K54-A58 WeakPolarHBondContact O-CB 3.42Å; K54-A58 PolarHBondContact O-N 3.49Å |
| 55 | E | 82.7 | Confident | 75.1 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 177.6 | -74 | 162.9 | 158.8 | 0 | 0 | 111.5 | P51 S52 A58 T59 | P51-E55 HydrophobicContact CB-CB 4.02Å; S52-E55 PolarHBondContact N-OE2 3.34Å; S52-E55 WeakPolarHBondContact O-CB 3.13Å; S52-E55 PolarHBondContact O-N 3.02Å; S52-E55 VanDerWaalsContact OG-CD 3.28Å; S52-E55 VanDerWaalsContact OG-CG 3.31Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.07Å; S52-E55 PolarHBondContact OG-OE2 3.25Å; E55-A58 PolarHBondContact O-N 2.99Å; E55-T59 WeakPolarHBondContact O-CB 3.5Å; E55-T59 PolarHBondContact O-N 3.22Å; E55-T59 PolarHBondContact O-OG1 3.44Å |
| 56 | L | 84.3 | Confident | 76.9 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 175.6 | -173.6 | 62.3 | 0 | 0 | 0 | 111.1 | L42 D45 P51 S52 A58 T59 K60 | L42-L56 HydrophobicContact CD1-CB 4.46Å; L42-L56 HydrophobicContact CD1-CD2 4.07Å; L42-L56 HydrophobicContact CD1-CG 3.74Å; L42-L56 WeakPolarHBondContact O-CD2 3.33Å; D45-L56 HydrophobicContact CB-CD1 4.24Å; P51-L56 HydrophobicContact CG-CB 4.41Å; S52-L56 PolarHBondContact O-N 2.87Å; S52-L56 VanDerWaalsContact O-N 3.12Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.29Å; L56-T59 WeakPolarHBondContact O-CB 3.29Å; L56-T59 PolarHBondContact O-N 3.1Å; L56-T59 VanDerWaalsContact O-N 3.07Å; L56-K60 PolarHBondContact O-N 2.67Å |
| 57 | M | 87.1 | Confident | 79 | Confident | 22 Ų | 22 | 67 Ų | 67 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 174.1 | -176.6 | -173.2 | -174.1 | 0 | 0 | 111.6 | V29 T32 W33 L36 G53 T59 K60 L61 | V29-M57 HydrophobicContact CG1-CE 4.34Å; T32-M57 VanDerWaalsContact CB-CE 3.41Å; T32-M57 HydrophobicContact CG2-CE 3.22Å; W33-M57 HydrophobicContact CE3-SD 4.22Å; W33-M57 HydrophobicContact CZ3-CB 4.41Å; L36-M57 HydrophobicContact CD1-CG 3.84Å; G53-M57 WeakPolarHBondContact O-CB 3.34Å; G53-M57 PolarHBondContact O-N 2.99Å; M57-T59 VanDerWaalsContact C-N 3.26Å; M57-T59 PolarHBondContact O-N 3.5Å; M57-K60 PolarHBondContact O-N 2.82Å; M57-L61 HydrophobicContact CG-CD1 4.25Å; M57-L61 VanDerWaalsContact O-CB 3.3Å; M57-L61 WeakPolarHBondContact O-CB 3.5Å; M57-L61 WeakPolarHBondContact O-CG 3.42Å; M57-L61 PolarHBondContact O-N 3.02Å |
| 58 | A | 90.1 | Very high | 81.3 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 23% | 0.231 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K54 E55 L56 K62 | K54-A58 VanDerWaalsContact O-CB 3.29Å; K54-A58 WeakPolarHBondContact O-CB 3.42Å; K54-A58 PolarHBondContact O-N 3.49Å; E55-A58 PolarHBondContact O-N 2.99Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.29Å; A58-K62 VanDerWaalsContact O-CG 3.3Å; A58-K62 WeakPolarHBondContact O-CG 3.28Å; A58-K62 PolarHBondContact O-N 2.79Å; A58-K62 VanDerWaalsContact O-N 3.13Å |
| 59 | T | 90.7 | Very high | 83.3 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.4 | -47.7 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | E55 L56 M57 L61 K62 Q63 | E55-T59 WeakPolarHBondContact O-CB 3.5Å; E55-T59 PolarHBondContact O-N 3.22Å; E55-T59 PolarHBondContact O-OG1 3.44Å; L56-T59 WeakPolarHBondContact O-CB 3.29Å; L56-T59 PolarHBondContact O-N 3.1Å; L56-T59 VanDerWaalsContact O-N 3.07Å; M57-T59 VanDerWaalsContact C-N 3.26Å; M57-T59 PolarHBondContact O-N 3.5Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 3.29Å; T59-K62 WeakPolarHBondContact O-CB 3.23Å; T59-K62 PolarHBondContact O-N 2.96Å; T59-Q63 PolarHBondContact O-N 2.83Å |
| 60 | K | 91.9 | Very high | 85.1 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 176.7 | -60.4 | -57.1 | -173.5 | 160 | 0 | 112 | L36 Y40 L42 D45 L56 M57 K62 Q63 M64 | L36-K60 HydrophobicContact CB-CB 4.35Å; L36-K60 HydrophobicContact CD1-CB 4.17Å; L36-K60 HydrophobicContact CD2-CB 3.92Å; L36-K60 HydrophobicContact CG-CB 4.36Å; Y40-K60 WeakPolarHBondContact O-CD 3.4Å; Y40-K60 VanDerWaalsContact O-CE 3.32Å; Y40-K60 WeakPolarHBondContact O-CE 3.47Å; Y40-K60 PolarHBondContact O-NZ 2.93Å; L42-K60 HydrophobicContact CD1-CB 4.2Å; L42-K60 HydrophobicContact CD1-CG 3.64Å; D45-K60 WeakPolarHBondContact OD2-CE 3.49Å; D45-K60 IonicContact OD2-NZ 2.67Å; D45-K60 PolarHBondContact OD2-NZ 3.29Å; L56-K60 PolarHBondContact O-N 2.67Å; M57-K60 PolarHBondContact O-N 2.82Å; K60-K62 VanDerWaalsContact C-N 3.31Å; K60-K62 PolarHBondContact O-N 2.78Å; K60-Q63 WeakPolarHBondContact O-CB 3.38Å; K60-Q63 PolarHBondContact O-N 3.1Å; K60-M64 PolarHBondContact O-N 2.79Å |
| 61 | L | 93.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.5 | -42.7 | 170.6 | -86.3 | 173.2 | 0 | 0 | 0 | 112.4 | T32 L36 M57 T59 Q63 M64 Q65 G74 T80 M84 | T32-L61 HydrophobicContact CG2-CD1 4.19Å; T32-L61 HydrophobicContact CG2-CD2 3.67Å; T32-L61 HydrophobicContact CG2-CG 4.13Å; L36-L61 HydrophobicContact CD1-CD2 4.25Å; L36-L61 HydrophobicContact CD1-CG 3.88Å; M57-L61 HydrophobicContact CG-CD1 4.25Å; M57-L61 VanDerWaalsContact O-CB 3.3Å; M57-L61 WeakPolarHBondContact O-CB 3.5Å; M57-L61 WeakPolarHBondContact O-CG 3.42Å; M57-L61 PolarHBondContact O-N 3.02Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 3.29Å; L61-Q63 VanDerWaalsContact C-N 3.32Å; L61-Q63 PolarHBondContact O-N 2.77Å; L61-M64 PolarHBondContact O-N 2.63Å; L61-Q65 WeakPolarHBondContact O-CB 3.25Å; L61-Q65 VanDerWaalsContact O-CG 3.23Å; L61-Q65 WeakPolarHBondContact O-CG 3.12Å; L61-Q65 PolarHBondContact O-N 2.77Å; L61-G74 WeakPolarHBondContact CD1-O 3.38Å; L61-T80 HydrophobicContact CD2-CG2 3.91Å; L61-M84 HydrophobicContact CD2-CE 3.58Å |
| 62 | K | 93.7 | Very high | 88.2 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 177.2 | -71.9 | 173.6 | -178 | -180 | 0 | 112 | A58 T59 K60 Q66 V72 | A58-K62 VanDerWaalsContact O-CG 3.3Å; A58-K62 WeakPolarHBondContact O-CG 3.28Å; A58-K62 PolarHBondContact O-N 2.79Å; A58-K62 VanDerWaalsContact O-N 3.13Å; T59-K62 WeakPolarHBondContact O-CB 3.23Å; T59-K62 PolarHBondContact O-N 2.96Å; K60-K62 VanDerWaalsContact C-N 3.31Å; K60-K62 PolarHBondContact O-N 2.78Å; K62-Q66 VanDerWaalsContact O-CB 3.27Å; K62-Q66 WeakPolarHBondContact O-CB 3.4Å; K62-Q66 PolarHBondContact O-N 2.92Å; K62-V72 HydrophobicContact CB-CG1 3.69Å; K62-V72 HydrophobicContact CD-CG1 4.3Å; K62-V72 HydrophobicContact CG-CG1 3.64Å |
| 63 | Q | 93.4 | Very high | 89.3 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.9 | -66.7 | 175.9 | -10.9 | 0 | 0 | 111 | Y40 T59 K60 L61 Q66 L67 | Y40-Q63 HydrophobicContact CD1-CB 3.92Å; Y40-Q63 HydrophobicContact CE1-CB 3.96Å; T59-Q63 PolarHBondContact O-N 2.83Å; K60-Q63 WeakPolarHBondContact O-CB 3.38Å; K60-Q63 PolarHBondContact O-N 3.1Å; L61-Q63 VanDerWaalsContact C-N 3.32Å; L61-Q63 PolarHBondContact O-N 2.77Å; Q63-Q66 PolarHBondContact O-N 3.28Å; Q63-L67 PolarHBondContact O-N 3Å |
| 64 | M | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 176.9 | -176.2 | -85 | -179.8 | 0 | 0 | 112.1 | Y35 L36 Y40 K60 L61 Q66 L67 F68 T80 A83 M84 | Y35-M64 HydrophobicContact CD1-CG 4.5Å; Y35-M64 HydrophobicContact CE1-CE 4.05Å; Y35-M64 HydrophobicContact CE1-CG 3.83Å; L36-M64 HydrophobicContact CD2-CB 4.3Å; Y40-M64 HydrophobicContact CD1-CB 4.29Å; Y40-M64 HydrophobicContact CD2-CB 4.31Å; Y40-M64 VanDerWaalsContact CE1-CA 3.41Å; Y40-M64 HydrophobicContact CE1-CB 3.67Å; Y40-M64 HydrophobicContact CE1-CG 4.43Å; Y40-M64 VanDerWaalsContact CE1-N 3.34Å; Y40-M64 HydrophobicContact CE2-CB 3.76Å; Y40-M64 HydrophobicContact CE2-CG 3.74Å; Y40-M64 VanDerWaalsContact CZ-CA 3.4Å; Y40-M64 VanDerWaalsContact OH-CA 3.32Å; Y40-M64 WeakPolarHBondContact OH-CA 3.33Å; K60-M64 PolarHBondContact O-N 2.79Å; L61-M64 PolarHBondContact O-N 2.63Å; M64-Q66 PolarHBondContact O-N 3.31Å; M64-L67 PolarHBondContact O-N 3.38Å; M64-F68 HydrophobicContact CE-CD1 4.23Å; M64-F68 HydrophobicContact CE-CD2 3.71Å; M64-F68 HydrophobicContact CE-CE1 4.32Å; M64-F68 HydrophobicContact CE-CE2 3.82Å; M64-F68 HydrophobicContact CE-CG 3.93Å; M64-F68 HydrophobicContact CE-CZ 4.13Å; M64-F68 HydrophobicContact CG-CD2 4.05Å; M64-F68 HydrophobicContact CG-CE2 4.21Å; M64-F68 VanDerWaalsContact O-CD2 3.3Å; M64-F68 WeakPolarHBondContact O-CD2 3.43Å; M64-F68 PolarHBondContact O-N 3.29Å; M64-F68 HydrophobicContact SD-CD2 4.07Å; M64-F68 HydrophobicContact SD-CG 4.44Å; M64-T80 HydrophobicContact SD-CG2 4.23Å; M64-A83 HydrophobicContact CE-CB 3.98Å; M64-M84 HydrophobicContact CE-CE 4.16Å; M64-M84 HydrophobicContact CE-CG 3.65Å; M64-M84 HydrophobicContact CG-CE 4.18Å; M64-M84 HydrophobicContact SD-CE 3.94Å |
| 65 | Q | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -40.1 | 177.5 | -73.5 | 170.6 | -26.1 | 0 | 0 | 111.5 | L61 F68 G69 L70 K71 V72 T73 K75 T80 | L61-Q65 WeakPolarHBondContact O-CB 3.25Å; L61-Q65 VanDerWaalsContact O-CG 3.23Å; L61-Q65 WeakPolarHBondContact O-CG 3.12Å; L61-Q65 PolarHBondContact O-N 2.77Å; Q65-F68 PolarHBondContact O-N 3.25Å; Q65-G69 PolarHBondContact O-N 2.8Å; Q65-G69 VanDerWaalsContact O-N 3.17Å; Q65-L70 HydrophobicContact CB-CB 4.08Å; Q65-L70 HydrophobicContact CG-CB 4.23Å; Q65-L70 HydrophobicContact CG-CD1 4.48Å; Q65-L70 PolarHBondContact O-N 2.88Å; Q65-K71 PolarHBondContact OE1-O 2.98Å; Q65-V72 HydrophobicContact CB-CG2 4.36Å; Q65-T73 PolarHBondContact NE2-OG1 2.94Å; Q65-K75 PolarHBondContact NE2-O 2.95Å; Q65-T80 HydrophobicContact CG-CG2 4.41Å; Q65-T80 PolarHBondContact NE2-OG1 2.77Å |
| 66 | Q | 92.6 | Very high | 91.2 | Very high | 139 Ų | 139 | 53.8 Ų | 53.8 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.1 | -45.1 | 177.3 | -175.7 | 174.9 | -1.5 | 0 | 0 | 112.5 | K62 Q63 M64 F68 G69 V72 | K62-Q66 VanDerWaalsContact O-CB 3.27Å; K62-Q66 WeakPolarHBondContact O-CB 3.4Å; K62-Q66 PolarHBondContact O-N 2.92Å; Q63-Q66 PolarHBondContact O-N 3.28Å; M64-Q66 PolarHBondContact O-N 3.31Å; Q66-F68 VanDerWaalsContact C-N 3.32Å; Q66-F68 PolarHBondContact O-N 2.85Å; Q66-G69 PolarHBondContact O-N 2.9Å; Q66-V72 HydrophobicContact CB-CG2 4.2Å |
| 67 | L | 92.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.6 | -176 | 80.4 | 0 | 0 | 0 | 111.6 | Y40 Q63 M64 G69 D93 S227 P235 | Y40-L67 VanDerWaalsContact OH-CD2 3.32Å; Y40-L67 WeakPolarHBondContact OH-CD2 3.12Å; Q63-L67 PolarHBondContact O-N 3Å; M64-L67 PolarHBondContact O-N 3.38Å; L67-G69 PolarHBondContact O-N 2.91Å; L67-D93 HydrophobicContact CD2-CB 3.72Å; L67-D93 VanDerWaalsContact CD2-CG 3.48Å; L67-S227 WeakPolarHBondContact O-CA 3.32Å; L67-S227 WeakPolarHBondContact O-CB 3.19Å; L67-P235 HydrophobicContact CD2-CG 3.72Å |
| 68 | F | 91.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 4.1 | -178 | -79.7 | -103 | 0 | 0 | 0 | 113.7 | Y35 M64 Q65 Q66 L70 A83 F234 P235 S236 | Y35-F68 WeakPolarHBondContact OH-CZ 3.45Å; M64-F68 HydrophobicContact CE-CD1 4.23Å; M64-F68 HydrophobicContact CE-CD2 3.71Å; M64-F68 HydrophobicContact CE-CE1 4.32Å; M64-F68 HydrophobicContact CE-CE2 3.82Å; M64-F68 HydrophobicContact CE-CG 3.93Å; M64-F68 HydrophobicContact CE-CZ 4.13Å; M64-F68 HydrophobicContact CG-CD2 4.05Å; M64-F68 HydrophobicContact CG-CE2 4.21Å; M64-F68 VanDerWaalsContact O-CD2 3.3Å; M64-F68 WeakPolarHBondContact O-CD2 3.43Å; M64-F68 PolarHBondContact O-N 3.29Å; M64-F68 HydrophobicContact SD-CD2 4.07Å; M64-F68 HydrophobicContact SD-CG 4.44Å; Q65-F68 PolarHBondContact O-N 3.25Å; Q66-F68 VanDerWaalsContact C-N 3.32Å; Q66-F68 PolarHBondContact O-N 2.85Å; F68-L70 HydrophobicContact CB-CD1 4.16Å; F68-L70 HydrophobicContact CB-CG 3.93Å; F68-L70 PolarHBondContact O-N 2.86Å; F68-A83 HydrophobicContact CD1-CB 4.13Å; F68-F234 HydrophobicContact CD1-CE1 4.23Å; F68-F234 AromaticContact CD1-CZ 3.66Å; F68-F234 HydrophobicContact CD1-CZ 3.66Å; F68-F234 HydrophobicContact CE1-CE1 4.11Å; F68-F234 AromaticContact CE1-CZ 3.93Å; F68-F234 HydrophobicContact CE1-CZ 3.93Å; F68-F234 HydrophobicContact CG-CZ 4.27Å; F68-P235 HydrophobicContact CE2-CG 4.37Å; F68-P235 HydrophobicContact CZ-CB 4.24Å; F68-P235 HydrophobicContact CZ-CG 4.26Å; F68-S236 WeakPolarHBondContact CE1-OG 3.39Å |
| 69 | G | 88.7 | Confident | 91.3 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 22 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q65 Q66 L67 | Q65-G69 PolarHBondContact O-N 2.8Å; Q65-G69 VanDerWaalsContact O-N 3.17Å; Q66-G69 PolarHBondContact O-N 2.9Å; L67-G69 PolarHBondContact O-N 2.91Å |
| 70 | L | 89.4 | Confident | 91.3 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | trans | -84.1 | 161.9 | 177.5 | -59 | 178.3 | 0 | 0 | 0 | 111 | Q65 F68 V72 A83 | Q65-L70 HydrophobicContact CB-CB 4.08Å; Q65-L70 HydrophobicContact CG-CB 4.23Å; Q65-L70 HydrophobicContact CG-CD1 4.48Å; Q65-L70 PolarHBondContact O-N 2.88Å; F68-L70 HydrophobicContact CB-CD1 4.16Å; F68-L70 HydrophobicContact CB-CG 3.93Å; F68-L70 PolarHBondContact O-N 2.86Å; L70-V72 PolarHBondContact O-N 3.01Å; L70-V72 VanDerWaalsContact O-N 3.1Å; L70-A83 HydrophobicContact CD1-CB 4.04Å | ||
| 71 | K | 88.2 | Confident | 91.3 | Very high | 161 Ų | 161 | 58.1 Ų | 58.1 | 70% | 0.7 | 31% | 0.314 | S | S | * | . | trans | -59 | 119.1 | 171.5 | -171 | 175.9 | -175.3 | 166.8 | 0 | 110.3 | Q65 T73 | Q65-K71 PolarHBondContact OE1-O 2.98Å; K71-T73 HydrophobicContact CB-CG2 4.31Å; K71-T73 HydrophobicContact CD-CG2 4.07Å; K71-T73 HydrophobicContact CG-CG2 3.84Å; K71-T73 PolarHBondContact O-N 2.9Å | ||
| 72 | V | 92.8 | Very high | 91.1 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | trans | -76 | 89.3 | -177.5 | -175 | 0 | 0 | 0 | 0 | 110.3 | K62 Q65 Q66 L70 | K62-V72 HydrophobicContact CB-CG1 3.69Å; K62-V72 HydrophobicContact CD-CG1 4.3Å; K62-V72 HydrophobicContact CG-CG1 3.64Å; Q65-V72 HydrophobicContact CB-CG2 4.36Å; Q66-V72 HydrophobicContact CB-CG2 4.2Å; L70-V72 PolarHBondContact O-N 3.01Å; L70-V72 VanDerWaalsContact O-N 3.1Å | ||
| 73 | T | 92.8 | Very high | 91 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | trans | -105.5 | -24.4 | -178.4 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | Q65 K71 K75 D77 | Q65-T73 PolarHBondContact NE2-OG1 2.94Å; K71-T73 HydrophobicContact CB-CG2 4.31Å; K71-T73 HydrophobicContact CD-CG2 4.07Å; K71-T73 HydrophobicContact CG-CG2 3.84Å; K71-T73 PolarHBondContact O-N 2.9Å; T73-K75 PolarHBondContact O-N 3.04Å; T73-K75 PolarHBondContact OG1-N 2.9Å; T73-K75 VanDerWaalsContact OG1-N 3.14Å; T73-K75 PolarHBondContact OG1-O 3.48Å; T73-D77 PolarHBondContact OG1-OD2 3.33Å; T73-D77 VanDerWaalsContact OG1-OD2 3.13Å | ||
| 74 | G | 91.6 | Very high | 90.9 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 66.6 | 19.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L61 | L61-G74 WeakPolarHBondContact CD1-O 3.38Š|
| 75 | K | 91.3 | Very high | 90.7 | Very high | 153 Ų | 153 | 60 Ų | 60 | 67% | 0.665 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -120.6 | 145.6 | 179.1 | -60 | -179.3 | -177.7 | 179 | 0 | 109.9 | Q65 T73 D77 | Q65-K75 PolarHBondContact NE2-O 2.95Å; T73-K75 PolarHBondContact O-N 3.04Å; T73-K75 PolarHBondContact OG1-N 2.9Å; T73-K75 VanDerWaalsContact OG1-N 3.14Å; T73-K75 PolarHBondContact OG1-O 3.48Å; K75-D77 PolarHBondContact O-N 3.2Å |
| 76 | S | 89.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | trans | -77.5 | 66.2 | 172.4 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | T32 | T32-S76 WeakPolarHBondContact OG1-CB 3.34Š| ||
| 77 | D | 89.1 | Confident | 90.6 | Very high | 46 Ų | 46 | 56 Ų | 56 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | trans | -71.7 | 169.4 | 173.9 | 53.1 | 47.9 | 0 | 0 | 0 | 112 | T73 K75 Q79 T80 L81 | T73-D77 PolarHBondContact OG1-OD2 3.33Å; T73-D77 VanDerWaalsContact OG1-OD2 3.13Å; K75-D77 PolarHBondContact O-N 3.2Å; D77-Q79 VanDerWaalsContact C-N 3.26Å; D77-Q79 PolarHBondContact O-N 2.7Å; D77-T80 WeakPolarHBondContact O-CB 3.3Å; D77-T80 PolarHBondContact O-N 2.79Å; D77-T80 VanDerWaalsContact O-N 3.13Å; D77-T80 VanDerWaalsContact OD1-CB 3.24Å; D77-T80 WeakPolarHBondContact OD1-CB 3.35Å; D77-T80 PolarHBondContact OD1-N 3.01Å; D77-T80 PolarHBondContact OD1-OG1 2.85Å; D77-L81 WeakPolarHBondContact O-CG 3.41Å; D77-L81 PolarHBondContact O-N 3.39Å | ||
| 78 | S | 87.9 | Confident | 90.8 | Very high | 100 Ų | 100 | 54.5 Ų | 54.5 | 70% | 0.699 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.1 | -34.6 | -174.2 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | S82 | S78-S82 VanDerWaalsContact O-CB 3.26Å; S78-S82 WeakPolarHBondContact O-CB 3.3Å; S78-S82 PolarHBondContact O-N 2.93Å |
| 79 | Q | 86.4 | Confident | 91.1 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.4 | -44.5 | 175.5 | -72.2 | -179.9 | -25.3 | 0 | 0 | 111.1 | D77 S82 A83 | D77-Q79 VanDerWaalsContact C-N 3.26Å; D77-Q79 PolarHBondContact O-N 2.7Å; Q79-S82 PolarHBondContact O-N 2.73Å; Q79-A83 PolarHBondContact O-N 3.34Å |
| 80 | T | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | L61 M64 Q65 D77 S82 A83 M84 | L61-T80 HydrophobicContact CD2-CG2 3.91Å; M64-T80 HydrophobicContact SD-CG2 4.23Å; Q65-T80 HydrophobicContact CG-CG2 4.41Å; Q65-T80 PolarHBondContact NE2-OG1 2.77Å; D77-T80 WeakPolarHBondContact O-CB 3.3Å; D77-T80 PolarHBondContact O-N 2.79Å; D77-T80 VanDerWaalsContact O-N 3.13Å; D77-T80 VanDerWaalsContact OD1-CB 3.24Å; D77-T80 WeakPolarHBondContact OD1-CB 3.35Å; D77-T80 PolarHBondContact OD1-N 3.01Å; D77-T80 PolarHBondContact OD1-OG1 2.85Å; T80-S82 VanDerWaalsContact C-N 3.32Å; T80-S82 PolarHBondContact O-N 3.09Å; T80-A83 PolarHBondContact O-N 3.07Å; T80-M84 HydrophobicContact CG2-CE 3.77Å; T80-M84 HydrophobicContact CG2-SD 4.15Å; T80-M84 WeakPolarHBondContact O-CG 3.38Å; T80-M84 PolarHBondContact O-N 2.57Å |
| 81 | L | 91.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.5 | -70.4 | 167.3 | 0 | 0 | 0 | 112 | D28 D77 A83 M84 R85 | D28-L81 HydrophobicContact CB-CD1 3.9Å; D28-L81 HydrophobicContact CB-CD2 4.04Å; D28-L81 WeakPolarHBondContact OD2-CD1 3.35Å; D77-L81 WeakPolarHBondContact O-CG 3.41Å; D77-L81 PolarHBondContact O-N 3.39Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 2.82Å; L81-M84 PolarHBondContact O-N 3.1Å; L81-R85 WeakPolarHBondContact O-CD 3.46Å; L81-R85 VanDerWaalsContact O-CG 3.24Å; L81-R85 WeakPolarHBondContact O-CG 3.42Å; L81-R85 PolarHBondContact O-N 3.04Å; L81-R85 VanDerWaalsContact O-N 3.15Å |
| 82 | S | 89.4 | Confident | 91.8 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | S78 Q79 T80 | S78-S82 VanDerWaalsContact O-CB 3.26Å; S78-S82 WeakPolarHBondContact O-CB 3.3Å; S78-S82 PolarHBondContact O-N 2.93Å; Q79-S82 PolarHBondContact O-N 2.73Å; T80-S82 VanDerWaalsContact C-N 3.32Å; T80-S82 PolarHBondContact O-N 3.09Å |
| 83 | A | 90.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.7 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M64 F68 L70 Q79 T80 L81 R85 K86 | M64-A83 HydrophobicContact CE-CB 3.98Å; F68-A83 HydrophobicContact CD1-CB 4.13Å; L70-A83 HydrophobicContact CD1-CB 4.04Å; Q79-A83 PolarHBondContact O-N 3.34Å; T80-A83 PolarHBondContact O-N 3.07Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 2.82Å; A83-R85 PolarHBondContact O-N 2.85Å; A83-K86 WeakPolarHBondContact O-CB 3.33Å; A83-K86 PolarHBondContact O-N 3.1Å |
| 84 | M | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -23.7 | 178.8 | -73.6 | 177.8 | 170.7 | 0 | 0 | 114.6 | T32 Y35 L36 L61 M64 T80 L81 Y176 | T32-M84 HydrophobicContact CG2-CE 3.97Å; T32-M84 HydrophobicContact CG2-SD 4.06Å; Y35-M84 HydrophobicContact CD1-CE 3.86Å; Y35-M84 HydrophobicContact CD1-CG 4.01Å; Y35-M84 HydrophobicContact CD1-SD 4.37Å; Y35-M84 HydrophobicContact CD2-CB 3.55Å; Y35-M84 HydrophobicContact CD2-CG 3.58Å; Y35-M84 HydrophobicContact CD2-SD 4.41Å; Y35-M84 HydrophobicContact CE1-CE 4.36Å; Y35-M84 HydrophobicContact CE1-CG 4.14Å; Y35-M84 VanDerWaalsContact CE2-CA 3.48Å; Y35-M84 HydrophobicContact CE2-CB 3.81Å; Y35-M84 HydrophobicContact CE2-CG 3.82Å; Y35-M84 WeakPolarHBondContact CE2-O 3.28Å; Y35-M84 HydrophobicContact CG-CB 4.17Å; Y35-M84 HydrophobicContact CG-CE 4.16Å; Y35-M84 HydrophobicContact CG-CG 3.74Å; Y35-M84 HydrophobicContact CG-SD 4.08Å; L36-M84 HydrophobicContact CD2-CE 4.33Å; L61-M84 HydrophobicContact CD2-CE 3.58Å; M64-M84 HydrophobicContact CE-CE 4.16Å; M64-M84 HydrophobicContact CE-CG 3.65Å; M64-M84 HydrophobicContact CG-CE 4.18Å; M64-M84 HydrophobicContact SD-CE 3.94Å; T80-M84 HydrophobicContact CG2-CE 3.77Å; T80-M84 HydrophobicContact CG2-SD 4.15Å; T80-M84 WeakPolarHBondContact O-CG 3.38Å; T80-M84 PolarHBondContact O-N 2.57Å; L81-M84 PolarHBondContact O-N 3.1Å; M84-Y176 VanDerWaalsContact O-CE2 3.27Å; M84-Y176 WeakPolarHBondContact O-CE2 3.36Å; M84-Y176 PolarHBondContact O-OH 3.28Å |
| 85 | R | 90.6 | Very high | 90.1 | Very high | 140 Ų | 140 | 44.5 Ų | 44.5 | 53% | 0.528 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3 | 179.6 | -69.4 | 169.8 | -173.6 | 168.8 | 3 | 113.2 | D28 L81 A83 | D28-R85 IonicContact OD1-NH2 3.43Å; D28-R85 PolarHBondContact OD1-NH2 2.76Å; L81-R85 WeakPolarHBondContact O-CD 3.46Å; L81-R85 VanDerWaalsContact O-CG 3.24Å; L81-R85 WeakPolarHBondContact O-CG 3.42Å; L81-R85 PolarHBondContact O-N 3.04Å; L81-R85 VanDerWaalsContact O-N 3.15Å; A83-R85 PolarHBondContact O-N 2.85Å |
| 86 | K | 91 | Very high | 88.4 | Confident | 39 Ų | 39 | 40 Ų | 40 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -75.2 | 138.1 | 176.7 | -69.6 | -178.4 | 178.8 | -179 | 0 | 109.7 | A83 | A83-K86 WeakPolarHBondContact O-CB 3.33Å; A83-K86 PolarHBondContact O-N 3.1Å |
| 87 | P | 94.6 | Very high | 86.3 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | trans | -54.9 | 144 | 169.4 | -19.7 | 30 | 0 | 0 | 0 | 110.6 | Y176 L178 F207 Y237 | P87-Y176 WeakPolarHBondContact CA-O 3.45Å; P87-L178 HydrophobicContact CB-CD1 4.09Å; P87-L178 HydrophobicContact CB-CD2 3.96Å; P87-L178 HydrophobicContact CB-CG 4.11Å; P87-F207 HydrophobicContact CB-CE1 3.45Å; P87-F207 VanDerWaalsContact CB-CE1 3.45Å; P87-F207 HydrophobicContact CB-CZ 3.59Å; P87-F207 HydrophobicContact CG-CE1 3.63Å; P87-F207 HydrophobicContact CG-CZ 3.53Å; P87-Y237 PolarHBondContact O-N 2.99Å | ||
| 88 | R | 96.2 | Very high | 84 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -155.5 | 169.9 | -171 | 62.4 | 162.2 | -69.9 | 157.2 | 4.6 | 113 | Y35 Y39 V91 D93 Y176 L178 H225 P235 | Y35-R88 PolarHBondContact OH-NH1 2.71Å; Y39-R88 VanDerWaalsContact CD1-CZ 3.47Å; R88-V91 PolarHBondContact NH2-O 3.22Å; R88-D93 IonicContact CZ-OD1 2.79Å; R88-D93 IonicContact CZ-OD2 3.01Å; R88-D93 IonicContact NH1-OD1 3.56Å; R88-D93 PolarHBondContact NH1-OD1 2.84Å; R88-D93 IonicContact NH1-OD2 3.9Å; R88-D93 PolarHBondContact NH1-OD2 3.48Å; R88-D93 IonicContact NH2-OD1 3.09Å; R88-D93 PolarHBondContact NH2-OD1 3.38Å; R88-D93 IonicContact NH2-OD2 3.01Å; R88-Y176 PolarHBondContact N-O 3.43Å; R88-L178 PolarHBondContact O-N 2.79Å; R88-H225 PolarHBondContact NH2-CE1 3.22Å; R88-H225 VanDerWaalsContact NH2-CE1 3.29Å; R88-P235 VanDerWaalsContact CA-O 3.3Å; R88-P235 WeakPolarHBondContact CA-O 3.44Å; R88-P235 WeakPolarHBondContact CB-O 3.3Å |
| 89 | C | 97.5 | Very high | 82.2 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | trans | -64.4 | 141.6 | 165.6 | 177 | 0 | 0 | 0 | 0 | 111 | V91 H215 E216 P235 | C89-V91 VanDerWaalsContact C-N 3.28Å; C89-V91 PolarHBondContact O-N 2.89Å; C89-V91 VanDerWaalsContact SG-CB 3.59Å; C89-V91 VanDerWaalsContact SG-CG2 3.54Å; C89-V91 PolarHBondContact SG-N 3.42Å; C89-H215 WeakPolarHBondContact CB-NE2 3.37Å; C89-E216 PolarHBondContact SG-OE1 2.85Å; C89-E216 PolarHBondContact SG-OE2 3.04Å; C89-P235 PolarHBondContact N-O 3.34Å | ||
| 90 | G | 95.5 | Very high | 80.3 | Confident | 24 Ų | 24 | 45 Ų | 45 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -73 | -12.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A179 | G90-A179 PolarHBondContact N-O 2.79Š|
| 91 | V | 94 | Very high | 78 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -70.3 | 144.4 | -179.2 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | R88 C89 H180 A181 H225 | R88-V91 PolarHBondContact NH2-O 3.22Å; C89-V91 VanDerWaalsContact C-N 3.28Å; C89-V91 PolarHBondContact O-N 2.89Å; C89-V91 VanDerWaalsContact SG-CB 3.59Å; C89-V91 VanDerWaalsContact SG-CG2 3.54Å; C89-V91 PolarHBondContact SG-N 3.42Å; V91-H180 HydrophobicContact CG2-CB 4Å; V91-A181 WeakPolarHBondContact CG2-O 3.46Å; V91-H225 PolarHBondContact O-CE1 3.38Å; V91-H225 VanDerWaalsContact O-CE1 3.29Å |
| 92 | S | 92.1 | Very high | 76.1 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | trans | -66.6 | 140.5 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | Y39 V94 | Y39-S92 PolarHBondContact O-OG 3.31Å; S92-V94 VanDerWaalsContact C-N 3.3Å; S92-V94 PolarHBondContact OG-N 3.33Å; S92-V94 PolarHBondContact OG-O 2.8Å | ||
| 93 | D | 92.1 | Very high | 74.7 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -79.1 | -14.1 | 178.2 | -70.9 | -14.9 | 0 | 0 | 0 | 113.6 | Y39 Y40 L67 R88 H225 | Y39-D93 PolarHBondContact O-N 2.7Å; Y40-D93 HydrophobicContact CE1-CB 3.96Å; Y40-D93 HydrophobicContact CE2-CB 3.81Å; Y40-D93 WeakPolarHBondContact CE2-OD2 3.33Å; Y40-D93 VanDerWaalsContact CZ-CB 3.45Å; Y40-D93 WeakPolarHBondContact OH-CB 3.49Å; Y40-D93 VanDerWaalsContact OH-CG 3.32Å; Y40-D93 PolarHBondContact OH-OD2 3.29Å; L67-D93 HydrophobicContact CD2-CB 3.72Å; L67-D93 VanDerWaalsContact CD2-CG 3.48Å; R88-D93 IonicContact CZ-OD1 2.79Å; R88-D93 IonicContact CZ-OD2 3.01Å; R88-D93 IonicContact NH1-OD1 3.56Å; R88-D93 PolarHBondContact NH1-OD1 2.84Å; R88-D93 IonicContact NH1-OD2 3.9Å; R88-D93 PolarHBondContact NH1-OD2 3.48Å; R88-D93 IonicContact NH2-OD1 3.09Å; R88-D93 PolarHBondContact NH2-OD1 3.38Å; R88-D93 IonicContact NH2-OD2 3.01Å; D93-H225 IonicContact OD1-CE1 2.67Å; D93-H225 PolarHBondContact OD1-CE1 3.34Å; D93-H225 IonicContact OD1-CG 2.8Å; D93-H225 IonicContact OD1-ND1 3.5Å; D93-H225 PolarHBondContact OD1-ND1 2.9Å |
| 94 | V | 83.5 | Confident | 74.1 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -110.8 | 117.8 | 178.9 | -62.3 | 0 | 0 | 0 | 0 | 109 | Y40 N41 S92 P96 | Y40-V94 HydrophobicContact CD1-CG1 3.66Å; Y40-V94 HydrophobicContact CE1-CG1 4.11Å; Y40-V94 HydrophobicContact CG-CG1 4.42Å; N41-V94 HydrophobicContact CB-CG2 4.13Å; N41-V94 VanDerWaalsContact ND2-CG2 3.33Å; N41-V94 WeakPolarHBondContact ND2-CG2 3.48Å; S92-V94 VanDerWaalsContact C-N 3.3Å; S92-V94 PolarHBondContact OG-N 3.33Å; S92-V94 PolarHBondContact OG-O 2.8Å; V94-P96 WeakPolarHBondContact O-CD 3.43Å |
| 95 | T | 65.3 | Low | 74 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | trans | -65.8 | 126.7 | 175.1 | 10.7 | 0 | 0 | 0 | 0 | 109.7 | Q97 I99 T224 | T95-Q97 PolarHBondContact O-N 2.77Å; T95-I99 HydrophobicContact CG2-CB 4.28Å; T95-I99 HydrophobicContact CG2-CG2 4.11Å; T95-T224 HydrophobicContact CG2-CG2 3.79Å | ||
| 96 | P | 55.4 | Low | 74.3 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | trans | -56.7 | 139.1 | 166.2 | -20.8 | 31.2 | 0 | 0 | 0 | 109.8 | V94 A98 I99 | V94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-A98 PolarHBondContact O-N 2.76Å; P96-I99 HydrophobicContact CB-CG1 4.36Å; P96-I99 HydrophobicContact CG-CD1 4.1Å; P96-I99 HydrophobicContact CG-CG1 4.37Å; P96-I99 PolarHBondContact O-N 3.24Å | ||
| 97 | Q | 44.9 | Very low | 74.4 | Confident | 170 Ų | 170 | 69.7 Ų | 69.7 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -15.7 | 179 | -70.2 | 151.4 | -7 | 0 | 0 | 113.8 | T95 T100 | T95-Q97 PolarHBondContact O-N 2.77Å; Q97-T100 PolarHBondContact O-OG1 2.78Å |
| 98 | A | 41.8 | Very low | 74.4 | Confident | 87 Ų | 87 | 73 Ų | 73 | 72% | 0.719 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -27.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P96 | P96-A98 PolarHBondContact O-N 2.76Š|
| 99 | I | 50.1 | Low | 74.4 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -25.4 | 179.8 | -55.5 | -168.8 | 0 | 0 | 0 | 111 | T95 P96 Y101 N103 P104 | T95-I99 HydrophobicContact CG2-CB 4.28Å; T95-I99 HydrophobicContact CG2-CG2 4.11Å; P96-I99 HydrophobicContact CB-CG1 4.36Å; P96-I99 HydrophobicContact CG-CD1 4.1Å; P96-I99 HydrophobicContact CG-CG1 4.37Å; P96-I99 PolarHBondContact O-N 3.24Å; I99-Y101 PolarHBondContact O-N 3.17Å; I99-N103 PolarHBondContact O-N 3Å; I99-P104 VanDerWaalsContact CG2-CD 3.45Å; I99-P104 HydrophobicContact CG2-CG 3.83Å |
| 100 | T | 47.1 | Very low | 74.5 | Confident | 79 Ų | 79 | 80.1 Ų | 80.1 | 49% | 0.485 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.3 | -176.9 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | Q97 | Q97-T100 PolarHBondContact O-OG1 2.78Š|
| 101 | Y | 42.7 | Very low | 74.6 | Confident | 207 Ų | 207 | 79 Ų | 79 | 81% | 0.812 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -21.2 | -179.4 | -82.7 | -82.3 | 0 | 0 | 0 | 114.6 | I99 | I99-Y101 PolarHBondContact O-N 3.17Š|
| 102 | D | 50.9 | Low | 74.8 | Confident | 149 Ų | 149 | 79.5 Ų | 79.5 | 80% | 0.797 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | -7.2 | -175.5 | -89.3 | -25.1 | 0 | 0 | 0 | 115.6 | ||
| 103 | N | 60.5 | Low | 75.1 | Confident | 95 Ų | 95 | 78.5 Ų | 78.5 | 51% | 0.508 | 42% | 0.415 | S | S | . | . | trans | 40.9 | 77.5 | -180 | -120.2 | 21.7 | 0 | 0 | 0 | 111.6 | I99 R105 | I99-N103 PolarHBondContact O-N 3Å; N103-R105 WeakPolarHBondContact O-CB 3.37Å; N103-R105 PolarHBondContact O-N 3.15Å | ||
| 104 | P | 78.4 | Confident | 75.4 | Confident | 28 Ų | 28 | 77.8 Ų | 77.8 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | trans | -54.8 | 117.3 | -166.8 | 23.4 | -33.7 | 0 | 0 | 0 | 109.8 | I99 Q183 P184 G222 | I99-P104 VanDerWaalsContact CG2-CD 3.45Å; I99-P104 HydrophobicContact CG2-CG 3.83Å; P104-Q183 HydrophobicContact CB-CB 4.09Å; P104-Q183 HydrophobicContact CG-CB 3.68Å; P104-Q183 HydrophobicContact CG-CG 4.02Å; P104-P184 HydrophobicContact CB-CB 4.45Å; P104-P184 WeakPolarHBondContact O-CD 3.35Å; P104-P184 VanDerWaalsContact O-CG 3.32Å; P104-P184 WeakPolarHBondContact O-CG 3.21Å; P104-G222 WeakPolarHBondContact O-CA 3.41Å | ||
| 105 | R | 90.1 | Very high | 76.2 | Confident | 141 Ų | 141 | 77.4 Ų | 77.4 | 53% | 0.532 | 41% | 0.408 | S | S | . | . | trans | -136 | 145 | -174.7 | 140.1 | -179.5 | 168 | -174.6 | -8.8 | 107.3 | N103 T107 L257 Y258 | N103-R105 WeakPolarHBondContact O-CB 3.37Å; N103-R105 PolarHBondContact O-N 3.15Å; R105-T107 PolarHBondContact O-N 2.98Å; R105-L257 WeakPolarHBondContact CD-O 3.26Å; R105-L257 PolarHBondContact NH1-O 3.43Å; R105-Y258 HydrophobicContact CG-CE1 3.88Å | ||
| 106 | W | 95.8 | Very high | 77.7 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 10% | 0.095 | 41% | 0.412 | C | S | . | . | trans | -64.9 | 134.1 | 168.8 | -65.6 | 107.8 | 0 | 0 | 0 | 111.4 | K108 L111 D155 I156 P184 G185 G189 S220 Y258 | W106-K108 VanDerWaalsContact C-N 3.27Å; W106-K108 WeakPolarHBondContact CB-O 3.19Å; W106-L111 HydrophobicContact CB-CD1 4.4Å; W106-L111 HydrophobicContact CB-CD2 3.94Å; W106-L111 HydrophobicContact CD2-CD2 3.61Å; W106-L111 HydrophobicContact CE3-CD2 4.06Å; W106-L111 HydrophobicContact CG-CD1 3.95Å; W106-L111 HydrophobicContact CG-CD2 3.55Å; W106-L111 HydrophobicContact CG-CG 4.38Å; W106-D155 HydrophobicContact CH2-CB 4.13Å; W106-D155 HydrophobicContact CZ2-CB 4.38Å; W106-D155 HydrophobicContact CZ3-CB 4.45Å; W106-I156 HydrophobicContact CZ2-CG1 4.47Å; W106-P184 HydrophobicContact CD2-CB 3.87Å; W106-P184 HydrophobicContact CE3-CB 4.47Å; W106-P184 HydrophobicContact CG-CB 4.04Å; W106-P184 HydrophobicContact CG-CG 4.41Å; W106-P184 HydrophobicContact CZ2-CB 4.21Å; W106-G185 WeakPolarHBondContact CH2-O 3.38Å; W106-G189 WeakPolarHBondContact CH2-O 3.44Å; W106-S220 PolarHBondContact NE1-O 2.94Å; W106-Y258 HydrophobicContact CB-CE1 4.21Å; W106-Y258 PolarHBondContact N-OH 2.85Å; W106-Y258 VanDerWaalsContact N-OH 3.13Å | ||
| 107 | T | 93.3 | Very high | 79.7 | Confident | 142 Ų | 142 | 78.3 Ų | 78.3 | 87% | 0.871 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -76.2 | -19.8 | 177 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | R105 | R105-T107 PolarHBondContact O-N 2.98Š|
| 108 | K | 95.1 | Very high | 82.3 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | trans | -111.1 | 158.1 | 175.4 | 67.1 | -178.4 | -172.9 | 176.6 | 0 | 111 | W106 D110 L111 D155 | W106-K108 VanDerWaalsContact C-N 3.27Å; W106-K108 WeakPolarHBondContact CB-O 3.19Å; K108-D110 WeakPolarHBondContact CD-O 3.5Å; K108-D110 WeakPolarHBondContact CE-O 3.46Å; K108-L111 HydrophobicContact CG-CD2 4.08Å; K108-D155 VanDerWaalsContact CE-CG 3.43Å; K108-D155 WeakPolarHBondContact CE-OD1 3.33Å; K108-D155 WeakPolarHBondContact CE-OD2 3.36Å; K108-D155 IonicContact NZ-OD1 3.36Å; K108-D155 PolarHBondContact NZ-OD1 3.02Å; K108-D155 IonicContact NZ-OD2 3.48Å; K108-D155 PolarHBondContact NZ-OD2 2.76Å | ||
| 109 | T | 96.9 | Very high | 84.9 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -103.1 | -21.1 | 177.8 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | L111 L144 T145 | T109-L111 PolarHBondContact O-N 2.83Å; T109-L144 HydrophobicContact CG2-CD2 4.18Å; T109-L144 WeakPolarHBondContact O-CA 3.46Å; T109-T145 PolarHBondContact O-N 3.09Å |
| 110 | D | 98.2 | Very high | 87.1 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 98.8 | 174.2 | -54.2 | -50.1 | 0 | 0 | 0 | 108.6 | K108 T145 | K108-D110 WeakPolarHBondContact CD-O 3.5Å; K108-D110 WeakPolarHBondContact CE-O 3.46Å; D110-T145 WeakPolarHBondContact CA-OG1 3.24Å; D110-T145 PolarHBondContact OD1-OG1 3.49Å |
| 111 | L | 98.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 149.9 | -178.4 | -65.4 | 168.6 | 0 | 0 | 0 | 110.2 | W106 K108 T109 L144 T145 F146 T147 D155 L221 | W106-L111 HydrophobicContact CB-CD1 4.4Å; W106-L111 HydrophobicContact CB-CD2 3.94Å; W106-L111 HydrophobicContact CD2-CD2 3.61Å; W106-L111 HydrophobicContact CE3-CD2 4.06Å; W106-L111 HydrophobicContact CG-CD1 3.95Å; W106-L111 HydrophobicContact CG-CD2 3.55Å; W106-L111 HydrophobicContact CG-CG 4.38Å; K108-L111 HydrophobicContact CG-CD2 4.08Å; T109-L111 PolarHBondContact O-N 2.83Å; L111-L144 HydrophobicContact CD1-CD2 4.27Å; L111-T145 PolarHBondContact N-O 2.73Å; L111-F146 HydrophobicContact CB-CD1 3.85Å; L111-F146 HydrophobicContact CB-CE1 4Å; L111-F146 HydrophobicContact CD1-CD1 4.4Å; L111-F146 HydrophobicContact CD1-CE1 3.68Å; L111-F146 HydrophobicContact CD1-CZ 4.43Å; L111-F146 HydrophobicContact CG-CE1 4.44Å; L111-F146 CarbonylContact O-C 3.58Å; L111-F146 VanDerWaalsContact O-CA 3.3Å; L111-F146 WeakPolarHBondContact O-CA 3.24Å; L111-T147 PolarHBondContact O-N 3.23Å; L111-D155 HydrophobicContact CD2-CB 4.09Å; L111-L221 HydrophobicContact CD1-CD2 3.69Å |
| 112 | T | 98.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 64 Ų | 64 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 150 | 175 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | T147 V149 G154 D155 I156 | T112-T147 CarbonylContact C-O 3.53Å; T112-T147 WeakPolarHBondContact CA-O 3.39Å; T112-V149 HydrophobicContact CG2-CG1 4.05Å; T112-G154 WeakPolarHBondContact OG1-CA 3.46Å; T112-D155 PolarHBondContact N-OD2 3.3Å; T112-D155 WeakPolarHBondContact O-CB 3.44Å; T112-D155 PolarHBondContact O-N 3.48Å; T112-D155 PolarHBondContact OG1-N 3.43Å; T112-D155 PolarHBondContact OG1-OD2 3.23Å; T112-I156 PolarHBondContact O-N 3.26Å; T112-I156 VanDerWaalsContact O-N 3.11Å |
| 113 | Y | 98.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 60.1 Ų | 60.1 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.7 | 173.2 | 76.3 | -83.5 | 0 | 0 | 0 | 111.6 | I115 F135 F146 T147 R148 V149 I156 L158 | Y113-I115 HydrophobicContact CE2-CD1 4.46Å; Y113-I115 HydrophobicContact CE2-CG1 4.37Å; Y113-F135 AromaticContact CD1-CD2 3.99Å; Y113-F135 HydrophobicContact CD1-CD2 3.99Å; Y113-F135 AromaticContact CD1-CE2 3.58Å; Y113-F135 HydrophobicContact CD1-CE2 3.58Å; Y113-F135 AromaticContact CD1-CZ 3.97Å; Y113-F135 HydrophobicContact CD1-CZ 3.97Å; Y113-F135 HydrophobicContact CD2-CD2 4.34Å; Y113-F135 AromaticContact CD2-CE2 3.49Å; Y113-F135 HydrophobicContact CD2-CE2 3.49Å; Y113-F135 VanDerWaalsContact CD2-CE2 3.49Å; Y113-F135 HydrophobicContact CD2-CZ 4.14Å; Y113-F135 AromaticContact CE1-CD2 3.9Å; Y113-F135 HydrophobicContact CE1-CD2 3.9Å; Y113-F135 AromaticContact CE1-CE2 3.9Å; Y113-F135 HydrophobicContact CE1-CE2 3.9Å; Y113-F135 HydrophobicContact CE2-CD2 4.25Å; Y113-F135 AromaticContact CE2-CE2 3.8Å; Y113-F135 HydrophobicContact CE2-CE2 3.8Å; Y113-F135 HydrophobicContact CG-CD2 4.2Å; Y113-F135 AromaticContact CG-CE2 3.35Å; Y113-F135 HydrophobicContact CG-CE2 3.35Å; Y113-F135 AromaticContact CG-CZ 3.65Å; Y113-F135 HydrophobicContact CG-CZ 3.65Å; Y113-F135 AromaticContact CZ-CE2 3.99Å; Y113-F146 HydrophobicContact CD1-CB 4.31Å; Y113-F146 HydrophobicContact CE1-CB 4.45Å; Y113-T147 PolarHBondContact N-O 3.22Å; Y113-R148 HydrophobicContact CD1-CB 4.35Å; Y113-R148 HydrophobicContact CD2-CG 4.41Å; Y113-R148 HydrophobicContact CE1-CB 3.71Å; Y113-R148 HydrophobicContact CE1-CG 4.42Å; Y113-R148 HydrophobicContact CE2-CB 4.09Å; Y113-R148 HydrophobicContact CE2-CG 3.9Å; Y113-R148 CarbonylContact O-C 3.5Å; Y113-R148 VanDerWaalsContact O-CA 3.32Å; Y113-R148 WeakPolarHBondContact O-CA 3.25Å; Y113-V149 PolarHBondContact O-N 2.98Å; Y113-I156 CarbonylContact C-O 3.56Å; Y113-I156 WeakPolarHBondContact CA-O 3.35Å; Y113-I156 WeakPolarHBondContact CB-O 3.45Å; Y113-L158 HydrophobicContact CD2-CD1 4Å; Y113-L158 HydrophobicContact CE2-CD1 4.43Å |
| 114 | S | 98.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159.3 | 173.8 | 63 | 0 | 0 | 0 | 0 | 110.4 | G154 I156 L158 | S114-G154 PolarHBondContact OG-N 3.27Å; S114-I156 PolarHBondContact N-O 2.75Å; S114-L158 PolarHBondContact O-N 2.97Å |
| 115 | I | 98.6 | Very high | 97.1 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 111.2 | 175.5 | -57.9 | 168.9 | 0 | 0 | 0 | 107.3 | Y113 N117 Y118 E128 F131 L158 | Y113-I115 HydrophobicContact CE2-CD1 4.46Å; Y113-I115 HydrophobicContact CE2-CG1 4.37Å; I115-N117 VanDerWaalsContact CG2-O 3.27Å; I115-N117 WeakPolarHBondContact CG2-O 3.17Å; I115-Y118 HydrophobicContact CG2-CD1 4.46Å; I115-Y118 HydrophobicContact CG2-CE1 3.89Å; I115-Y118 HydrophobicContact CG2-CE2 4.01Å; I115-E128 HydrophobicContact CD1-CG 3.94Å; I115-F131 HydrophobicContact CD1-CD2 3.73Å; I115-F131 HydrophobicContact CD1-CE2 4.34Å; I115-F131 HydrophobicContact CG1-CD2 3.99Å; I115-F131 HydrophobicContact CG1-CE2 4.34Å; I115-F131 HydrophobicContact CG2-CE2 4.32Å; I115-L158 HydrophobicContact CG1-CB 4.44Å; I115-L158 HydrophobicContact CG1-CD1 4.3Å |
| 116 | L | 97.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | trans | -76.8 | -42.3 | -172.8 | -176 | 62.5 | 0 | 0 | 0 | 112.1 | V157 L158 A159 Y161 | L116-V157 HydrophobicContact CB-CG1 3.99Å; L116-L158 PolarHBondContact N-O 3.5Å; L116-A159 HydrophobicContact CB-CB 4Å; L116-A159 HydrophobicContact CD2-CB 4.07Å; L116-Y161 WeakPolarHBondContact CD2-OH 3.05Å | ||
| 117 | N | 97.8 | Very high | 97.6 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | trans | -150.8 | 179.8 | 179.6 | 67.7 | 16.5 | 0 | 0 | 0 | 111.2 | I115 F160 | I115-N117 VanDerWaalsContact CG2-O 3.27Å; I115-N117 WeakPolarHBondContact CG2-O 3.17Å; N117-F160 PolarHBondContact ND2-O 2.91Å; N117-F160 WeakPolarHBondContact OD1-CB 3.09Å; N117-F160 WeakPolarHBondContact OD1-CD2 3.4Å; N117-F160 PolarHBondContact OD1-N 2.92Å; N117-F160 PolarHBondContact OD1-O 2.82Å | ||
| 118 | Y | 98.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | trans | -133 | 145.4 | -174.1 | -65.2 | -95.4 | 0 | 0 | 0 | 111 | I115 R124 V127 E128 R148 | I115-Y118 HydrophobicContact CG2-CD1 4.46Å; I115-Y118 HydrophobicContact CG2-CE1 3.89Å; I115-Y118 HydrophobicContact CG2-CE2 4.01Å; Y118-R124 HydrophobicContact CD1-CB 4.05Å; Y118-R124 HydrophobicContact CD1-CG 3.81Å; Y118-R124 HydrophobicContact CD2-CG 4.23Å; Y118-R124 HydrophobicContact CE1-CB 4.03Å; Y118-R124 HydrophobicContact CE1-CG 4.12Å; Y118-R124 HydrophobicContact CG-CG 3.89Å; Y118-V127 HydrophobicContact CD1-CB 3.82Å; Y118-V127 HydrophobicContact CD1-CG1 3.66Å; Y118-V127 HydrophobicContact CD1-CG2 4.22Å; Y118-V127 HydrophobicContact CE1-CB 4.18Å; Y118-V127 HydrophobicContact CE1-CG1 3.92Å; Y118-E128 HydrophobicContact CE1-CG 3.9Å; Y118-E128 PolarHBondContact OH-OE1 2.75Å; Y118-R148 PolarHBondContact OH-NH2 3.2Å | ||
| 119 | T | 97.2 | Very high | 98 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | trans | -65.7 | 142.9 | 167.7 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | Y121 L122 V127 F160 W200 | T119-Y121 VanDerWaalsContact C-N 3.27Å; T119-Y121 PolarHBondContact O-N 3.18Å; T119-Y121 VanDerWaalsContact OG1-CD2 3.23Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.23Å; T119-Y121 PolarHBondContact OG1-N 2.87Å; T119-L122 HydrophobicContact CG2-CB 4.08Å; T119-L122 HydrophobicContact CG2-CD1 4.43Å; T119-L122 HydrophobicContact CG2-CG 4.43Å; T119-V127 HydrophobicContact CG2-CG2 3.81Å; T119-F160 HydrophobicContact CG2-CE1 3.91Å; T119-F160 HydrophobicContact CG2-CZ 3.92Å; T119-W200 HydrophobicContact CG2-CB 4.28Å | ||
| 120 | P | 96.5 | Very high | 98.1 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 66% | 0.656 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.8 | 175.6 | 32.6 | -36.8 | 0 | 0 | 0 | 113.7 | ||
| 121 | Y | 96.2 | Very high | 98.1 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 42% | 0.42 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19.8 | -175.5 | -57.7 | -63.8 | 0 | 0 | 0 | 113.8 | T119 E198 | T119-Y121 VanDerWaalsContact C-N 3.27Å; T119-Y121 PolarHBondContact O-N 3.18Å; T119-Y121 VanDerWaalsContact OG1-CD2 3.23Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.23Å; T119-Y121 PolarHBondContact OG1-N 2.87Å; Y121-E198 WeakPolarHBondContact CD2-O 3.33Å; Y121-E198 WeakPolarHBondContact CE2-O 3.45Å |
| 122 | L | 97.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -125.6 | 152.5 | -178.4 | -66.1 | 173.6 | 0 | 0 | 0 | 110.3 | T119 V126 V127 W200 D202 L209 | T119-L122 HydrophobicContact CG2-CB 4.08Å; T119-L122 HydrophobicContact CG2-CD1 4.43Å; T119-L122 HydrophobicContact CG2-CG 4.43Å; L122-V126 HydrophobicContact CB-CG1 4.38Å; L122-V126 HydrophobicContact CD1-CG1 4.24Å; L122-V126 HydrophobicContact CD2-CG1 4.06Å; L122-V126 HydrophobicContact CG-CG1 4.46Å; L122-V127 HydrophobicContact CB-CG2 3.84Å; L122-V127 HydrophobicContact CD1-CG2 4.44Å; L122-W200 HydrophobicContact CD1-CB 4.14Å; L122-D202 HydrophobicContact CD2-CB 4.43Å; L122-L209 HydrophobicContact CD1-CB 4.17Å; L122-L209 HydrophobicContact CD1-CD2 3.99Å |
| 123 | S | 98.4 | Very high | 98.1 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | trans | -67.5 | 152.4 | 170.4 | 80.3 | 0 | 0 | 0 | 0 | 110.3 | A125 V126 V127 | S123-A125 PolarHBondContact O-N 2.79Å; S123-V126 PolarHBondContact O-N 2.9Å; S123-V126 VanDerWaalsContact O-N 3.1Å; S123-V126 WeakPolarHBondContact OG-CG2 3.28Å; S123-V126 PolarHBondContact OG-N 2.85Å; S123-V127 PolarHBondContact O-N 3.36Å; S123-V127 VanDerWaalsContact O-N 3.11Å | ||
| 124 | R | 98.3 | Very high | 98.1 | Very high | 173 Ų | 173 | 56.3 Ų | 56.3 | 65% | 0.653 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.9 | -41.5 | 177.1 | -66.2 | -171.3 | 179.3 | -174.7 | -2.7 | 112.3 | Y118 V126 V127 E128 | Y118-R124 HydrophobicContact CD1-CB 4.05Å; Y118-R124 HydrophobicContact CD1-CG 3.81Å; Y118-R124 HydrophobicContact CD2-CG 4.23Å; Y118-R124 HydrophobicContact CE1-CB 4.03Å; Y118-R124 HydrophobicContact CE1-CG 4.12Å; Y118-R124 HydrophobicContact CG-CG 3.89Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.99Å; R124-V127 PolarHBondContact O-N 3.19Å; R124-E128 VanDerWaalsContact O-CG 3.26Å; R124-E128 WeakPolarHBondContact O-CG 3.44Å; R124-E128 PolarHBondContact O-N 2.77Å |
| 125 | A | 98.5 | Very high | 98.1 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S123 E128 E129 | S123-A125 PolarHBondContact O-N 2.79Å; A125-E128 PolarHBondContact O-N 2.99Å; A125-E129 VanDerWaalsContact O-CB 3.3Å; A125-E129 WeakPolarHBondContact O-CB 3.11Å; A125-E129 PolarHBondContact O-N 3.01Å |
| 126 | V | 98.4 | Very high | 98.1 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L122 S123 R124 S130 D202 | L122-V126 HydrophobicContact CB-CG1 4.38Å; L122-V126 HydrophobicContact CD1-CG1 4.24Å; L122-V126 HydrophobicContact CD2-CG1 4.06Å; L122-V126 HydrophobicContact CG-CG1 4.46Å; S123-V126 PolarHBondContact O-N 2.9Å; S123-V126 VanDerWaalsContact O-N 3.1Å; S123-V126 WeakPolarHBondContact OG-CG2 3.28Å; S123-V126 PolarHBondContact OG-N 2.85Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.99Å; V126-S130 VanDerWaalsContact O-CB 3.31Å; V126-S130 WeakPolarHBondContact O-CB 3.34Å; V126-S130 PolarHBondContact O-N 3.26Å; V126-S130 PolarHBondContact O-OG 3.37Å; V126-D202 HydrophobicContact CG1-CB 3.63Å |
| 127 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | Y118 T119 L122 S123 R124 S130 F131 F160 L209 | Y118-V127 HydrophobicContact CD1-CB 3.82Å; Y118-V127 HydrophobicContact CD1-CG1 3.66Å; Y118-V127 HydrophobicContact CD1-CG2 4.22Å; Y118-V127 HydrophobicContact CE1-CB 4.18Å; Y118-V127 HydrophobicContact CE1-CG1 3.92Å; T119-V127 HydrophobicContact CG2-CG2 3.81Å; L122-V127 HydrophobicContact CB-CG2 3.84Å; L122-V127 HydrophobicContact CD1-CG2 4.44Å; S123-V127 PolarHBondContact O-N 3.36Å; S123-V127 VanDerWaalsContact O-N 3.11Å; R124-V127 PolarHBondContact O-N 3.19Å; V127-S130 WeakPolarHBondContact O-CB 3.42Å; V127-S130 PolarHBondContact O-N 3.23Å; V127-F131 HydrophobicContact CG1-CD2 3.82Å; V127-F131 HydrophobicContact CG1-CE2 3.39Å; V127-F131 HydrophobicContact CG1-CZ 3.98Å; V127-F131 WeakPolarHBondContact O-CD2 3.44Å; V127-F131 WeakPolarHBondContact O-CG 3.29Å; V127-F131 PolarHBondContact O-N 3.45Å; V127-F160 HydrophobicContact CG1-CE2 4.15Å; V127-F160 HydrophobicContact CG1-CZ 4.23Å; V127-L209 HydrophobicContact CB-CD2 4.21Å; V127-L209 HydrophobicContact CG1-CD2 4.06Å; V127-L209 HydrophobicContact CG2-CD2 3.95Å |
| 128 | E | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 179.7 | -67.7 | 179.8 | -179.6 | 0 | 0 | 111.7 | I115 Y118 R124 A125 S130 F131 E132 R148 | I115-E128 HydrophobicContact CD1-CG 3.94Å; Y118-E128 HydrophobicContact CE1-CG 3.9Å; Y118-E128 PolarHBondContact OH-OE1 2.75Å; R124-E128 VanDerWaalsContact O-CG 3.26Å; R124-E128 WeakPolarHBondContact O-CG 3.44Å; R124-E128 PolarHBondContact O-N 2.77Å; A125-E128 PolarHBondContact O-N 2.99Å; E128-S130 VanDerWaalsContact C-N 3.34Å; E128-S130 PolarHBondContact O-N 2.9Å; E128-F131 PolarHBondContact O-N 2.93Å; E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 2.89Å; E128-R148 VanDerWaalsContact CD-NH2 3.32Å; E128-R148 IonicContact OE1-CZ 2.88Å; E128-R148 IonicContact OE1-NH1 3.09Å; E128-R148 PolarHBondContact OE1-NH1 3.01Å; E128-R148 IonicContact OE1-NH2 3.3Å; E128-R148 PolarHBondContact OE1-NH2 2.83Å; E128-R148 IonicContact OE2-CZ 3.73Å; E128-R148 IonicContact OE2-NH1 3.09Å; E128-R148 PolarHBondContact OE2-NH1 2.69Å; E128-R148 IonicContact OE2-NH2 3.26Å |
| 129 | E | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.7 | -174.4 | -175.8 | 171.1 | 0 | 0 | 111.9 | A125 E132 K133 | A125-E129 VanDerWaalsContact O-CB 3.3Å; A125-E129 WeakPolarHBondContact O-CB 3.11Å; A125-E129 PolarHBondContact O-N 3.01Å; E129-E132 PolarHBondContact O-N 3.41Å; E129-K133 HydrophobicContact CG-CD 4.14Å; E129-K133 WeakPolarHBondContact O-CB 3.4Å; E129-K133 VanDerWaalsContact O-CG 3.29Å; E129-K133 WeakPolarHBondContact O-CG 3.44Å; E129-K133 PolarHBondContact O-N 3.35Å; E129-K133 WeakPolarHBondContact OE1-CE 3.31Å; E129-K133 IonicContact OE1-NZ 2.73Å; E129-K133 PolarHBondContact OE1-NZ 3.27Å |
| 130 | S | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | V126 V127 E128 A134 | V126-S130 VanDerWaalsContact O-CB 3.31Å; V126-S130 WeakPolarHBondContact O-CB 3.34Å; V126-S130 PolarHBondContact O-N 3.26Å; V126-S130 PolarHBondContact O-OG 3.37Å; V127-S130 WeakPolarHBondContact O-CB 3.42Å; V127-S130 PolarHBondContact O-N 3.23Å; E128-S130 VanDerWaalsContact C-N 3.34Å; E128-S130 PolarHBondContact O-N 2.9Å; S130-A134 WeakPolarHBondContact O-CB 3.41Å; S130-A134 PolarHBondContact O-N 3.05Å |
| 131 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.6 | -40.5 | 177.8 | -64.9 | -30.9 | 0 | 0 | 0 | 112.6 | I115 V127 E128 K133 A134 F135 L158 F160 F194 L209 A213 | I115-F131 HydrophobicContact CD1-CD2 3.73Å; I115-F131 HydrophobicContact CD1-CE2 4.34Å; I115-F131 HydrophobicContact CG1-CD2 3.99Å; I115-F131 HydrophobicContact CG1-CE2 4.34Å; I115-F131 HydrophobicContact CG2-CE2 4.32Å; V127-F131 HydrophobicContact CG1-CD2 3.82Å; V127-F131 HydrophobicContact CG1-CE2 3.39Å; V127-F131 HydrophobicContact CG1-CZ 3.98Å; V127-F131 WeakPolarHBondContact O-CD2 3.44Å; V127-F131 WeakPolarHBondContact O-CG 3.29Å; V127-F131 PolarHBondContact O-N 3.45Å; E128-F131 PolarHBondContact O-N 2.93Å; F131-K133 VanDerWaalsContact C-N 3.35Å; F131-K133 PolarHBondContact O-N 2.04Å; F131-A134 WeakPolarHBondContact O-CB 3.47Å; F131-A134 PolarHBondContact O-N 2.81Å; F131-F135 VanDerWaalsContact O-CD2 3.23Å; F131-F135 WeakPolarHBondContact O-CD2 3.47Å; F131-F135 PolarHBondContact O-N 2.84Å; F131-L158 HydrophobicContact CB-CD1 3.82Å; F131-L158 HydrophobicContact CD1-CD1 3.98Å; F131-L158 HydrophobicContact CD2-CB 4.46Å; F131-L158 HydrophobicContact CD2-CD1 3.48Å; F131-L158 VanDerWaalsContact CD2-CD1 3.48Å; F131-L158 HydrophobicContact CE1-CD1 4.38Å; F131-L158 HydrophobicContact CE2-CB 4.07Å; F131-L158 HydrophobicContact CE2-CD1 3.9Å; F131-L158 HydrophobicContact CG-CD1 3.51Å; F131-L158 HydrophobicContact CZ-CB 4.35Å; F131-L158 HydrophobicContact CZ-CD1 4.33Å; F131-F160 HydrophobicContact CE2-CE2 4.18Å; F131-F160 HydrophobicContact CE2-CZ 4.4Å; F131-F160 AromaticContact CZ-CE2 3.9Å; F131-F160 HydrophobicContact CZ-CE2 3.9Å; F131-F160 AromaticContact CZ-CZ 3.76Å; F131-F160 HydrophobicContact CZ-CZ 3.76Å; F131-F194 HydrophobicContact CD1-CZ 4.47Å; F131-F194 HydrophobicContact CE1-CD2 4.48Å; F131-F194 HydrophobicContact CE1-CE1 4.3Å; F131-F194 AromaticContact CE1-CE2 3.62Å; F131-F194 HydrophobicContact CE1-CE2 3.62Å; F131-F194 AromaticContact CE1-CZ 3.5Å; F131-F194 HydrophobicContact CE1-CZ 3.5Å; F131-F194 HydrophobicContact CZ-CD2 4.19Å; F131-F194 AromaticContact CZ-CE2 3.61Å; F131-F194 HydrophobicContact CZ-CE2 3.61Å; F131-F194 HydrophobicContact CZ-CZ 4Å; F131-L209 HydrophobicContact CE1-CD1 3.82Å; F131-L209 HydrophobicContact CE1-CD2 4.16Å; F131-L209 HydrophobicContact CE1-CG 3.99Å; F131-L209 HydrophobicContact CZ-CD1 4.2Å; F131-L209 HydrophobicContact CZ-CD2 4.27Å; F131-A213 HydrophobicContact CD1-CB 3.68Å; F131-A213 HydrophobicContact CE1-CB 3.78Å |
| 132 | E | 98.6 | Very high | 98.3 | Very high | 127 Ų | 127 | 47 Ų | 47 | 59% | 0.593 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.9 | -46.9 | 174.6 | -176 | 176.5 | -173.1 | 0 | 0 | 111.2 | E128 E129 A134 F135 Q136 | E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 2.89Å; E129-E132 PolarHBondContact O-N 3.41Å; E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 2.73Å; E132-F135 PolarHBondContact O-N 2.92Å; E132-Q136 WeakPolarHBondContact O-CB 3.26Å; E132-Q136 PolarHBondContact O-N 3.13Å |
| 133 | K | 98.3 | Very high | 98.3 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 40% | 0.404 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 174.1 | -75.6 | 172.1 | 172.2 | 170.9 | 0 | 112 | E129 F131 Q136 V137 F210 | E129-K133 HydrophobicContact CG-CD 4.14Å; E129-K133 WeakPolarHBondContact O-CB 3.4Å; E129-K133 VanDerWaalsContact O-CG 3.29Å; E129-K133 WeakPolarHBondContact O-CG 3.44Å; E129-K133 PolarHBondContact O-N 3.35Å; E129-K133 WeakPolarHBondContact OE1-CE 3.31Å; E129-K133 IonicContact OE1-NZ 2.73Å; E129-K133 PolarHBondContact OE1-NZ 3.27Å; F131-K133 VanDerWaalsContact C-N 3.35Å; F131-K133 PolarHBondContact O-N 2.04Å; K133-Q136 WeakPolarHBondContact O-CB 3.41Å; K133-Q136 PolarHBondContact O-N 3.15Å; K133-Q136 VanDerWaalsContact O-N 3.13Å; K133-V137 WeakPolarHBondContact O-CG2 3.24Å; K133-V137 PolarHBondContact O-N 2.67Å; K133-F210 HydrophobicContact CB-CD2 3.57Å; K133-F210 HydrophobicContact CB-CE2 3.69Å |
| 134 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S130 F131 E132 Q136 V137 F210 A213 T214 L217 | S130-A134 WeakPolarHBondContact O-CB 3.41Å; S130-A134 PolarHBondContact O-N 3.05Å; F131-A134 WeakPolarHBondContact O-CB 3.47Å; F131-A134 PolarHBondContact O-N 2.81Å; E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 2.73Å; A134-Q136 VanDerWaalsContact C-N 3.32Å; A134-Q136 PolarHBondContact O-N 2.84Å; A134-V137 PolarHBondContact O-N 2.65Å; A134-F210 HydrophobicContact CB-CD2 4.21Å; A134-A213 HydrophobicContact CB-CB 4.04Å; A134-T214 WeakPolarHBondContact CA-OG1 3.48Å; A134-T214 VanDerWaalsContact CB-OG1 3.3Å; A134-T214 WeakPolarHBondContact CB-OG1 3.27Å; A134-L217 HydrophobicContact CB-CD1 3.73Å |
| 135 | F | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -35.3 | 171.2 | -78.1 | -64.4 | 0 | 0 | 0 | 112.8 | Y113 F131 E132 V137 W138 S139 F146 I156 L158 L217 | Y113-F135 AromaticContact CD1-CD2 3.99Å; Y113-F135 HydrophobicContact CD1-CD2 3.99Å; Y113-F135 AromaticContact CD1-CE2 3.58Å; Y113-F135 HydrophobicContact CD1-CE2 3.58Å; Y113-F135 AromaticContact CD1-CZ 3.97Å; Y113-F135 HydrophobicContact CD1-CZ 3.97Å; Y113-F135 HydrophobicContact CD2-CD2 4.34Å; Y113-F135 AromaticContact CD2-CE2 3.49Å; Y113-F135 HydrophobicContact CD2-CE2 3.49Å; Y113-F135 VanDerWaalsContact CD2-CE2 3.49Å; Y113-F135 HydrophobicContact CD2-CZ 4.14Å; Y113-F135 AromaticContact CE1-CD2 3.9Å; Y113-F135 HydrophobicContact CE1-CD2 3.9Å; Y113-F135 AromaticContact CE1-CE2 3.9Å; Y113-F135 HydrophobicContact CE1-CE2 3.9Å; Y113-F135 HydrophobicContact CE2-CD2 4.25Å; Y113-F135 AromaticContact CE2-CE2 3.8Å; Y113-F135 HydrophobicContact CE2-CE2 3.8Å; Y113-F135 HydrophobicContact CG-CD2 4.2Å; Y113-F135 AromaticContact CG-CE2 3.35Å; Y113-F135 HydrophobicContact CG-CE2 3.35Å; Y113-F135 AromaticContact CG-CZ 3.65Å; Y113-F135 HydrophobicContact CG-CZ 3.65Å; Y113-F135 AromaticContact CZ-CE2 3.99Å; F131-F135 VanDerWaalsContact O-CD2 3.23Å; F131-F135 WeakPolarHBondContact O-CD2 3.47Å; F131-F135 PolarHBondContact O-N 2.84Å; E132-F135 PolarHBondContact O-N 2.92Å; F135-V137 VanDerWaalsContact C-N 3.31Å; F135-V137 PolarHBondContact O-N 2.9Å; F135-W138 PolarHBondContact O-N 3.43Å; F135-S139 PolarHBondContact O-N 3.25Å; F135-S139 PolarHBondContact O-OG 3.46Å; F135-F146 HydrophobicContact CB-CB 4.06Å; F135-F146 HydrophobicContact CB-CD2 3.73Å; F135-F146 HydrophobicContact CB-CE2 4.34Å; F135-F146 HydrophobicContact CB-CG 3.91Å; F135-F146 HydrophobicContact CD1-CB 3.91Å; F135-F146 AromaticContact CD1-CD1 3.21Å; F135-F146 HydrophobicContact CD1-CD1 3.21Å; F135-F146 AromaticContact CD1-CD2 3.67Å; F135-F146 HydrophobicContact CD1-CD2 3.67Å; F135-F146 AromaticContact CD1-CE1 3.49Å; F135-F146 HydrophobicContact CD1-CE1 3.49Å; F135-F146 VanDerWaalsContact CD1-CE1 3.49Å; F135-F146 AromaticContact CD1-CE2 3.93Å; F135-F146 HydrophobicContact CD1-CE2 3.93Å; F135-F146 AromaticContact CD1-CG 3.3Å; F135-F146 HydrophobicContact CD1-CG 3.3Å; F135-F146 AromaticContact CD1-CZ 3.84Å; F135-F146 HydrophobicContact CD1-CZ 3.84Å; F135-F146 AromaticContact CE1-CD1 3.42Å; F135-F146 HydrophobicContact CE1-CD1 3.42Å; F135-F146 VanDerWaalsContact CE1-CD1 3.42Å; F135-F146 AromaticContact CE1-CE1 3.67Å; F135-F146 HydrophobicContact CE1-CE1 3.67Å; F135-F146 AromaticContact CE1-CG 3.97Å; F135-F146 HydrophobicContact CE1-CG 3.97Å; F135-F146 HydrophobicContact CE1-CZ 4.4Å; F135-F146 HydrophobicContact CG-CB 3.97Å; F135-F146 HydrophobicContact CG-CD1 4.13Å; F135-F146 HydrophobicContact CG-CD2 4.07Å; F135-F146 AromaticContact CG-CG 3.79Å; F135-F146 HydrophobicContact CG-CG 3.79Å; F135-F146 HydrophobicContact CZ-CD1 4.48Å; F135-I156 HydrophobicContact CE1-CD1 3.96Å; F135-I156 HydrophobicContact CZ-CD1 4.38Å; F135-I156 HydrophobicContact CZ-CG2 4.21Å; F135-L158 HydrophobicContact CE2-CD1 4.04Å; F135-L217 HydrophobicContact CD1-CD1 3.74Å; F135-L217 HydrophobicContact CD1-CD2 4.2Å; F135-L217 HydrophobicContact CD2-CD1 4.11Å; F135-L217 HydrophobicContact CE1-CD1 3.79Å; F135-L217 HydrophobicContact CE1-CD2 3.41Å; F135-L217 VanDerWaalsContact CE1-CD2 3.41Å; F135-L217 HydrophobicContact CE1-CG 4.22Å; F135-L217 HydrophobicContact CE2-CD1 4.12Å; F135-L217 HydrophobicContact CE2-CD2 4.33Å; F135-L217 HydrophobicContact CG-CD1 3.92Å; F135-L217 HydrophobicContact CZ-CD1 3.97Å; F135-L217 HydrophobicContact CZ-CD2 3.49Å; F135-L217 VanDerWaalsContact CZ-CD2 3.49Å; F135-L217 HydrophobicContact CZ-CG 4.4Å |
| 136 | Q | 97.8 | Very high | 98.3 | Very high | 124 Ų | 124 | 37.9 Ų | 37.9 | 58% | 0.579 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.6 | -37.6 | 177.5 | -166.2 | 178.6 | 12.1 | 0 | 0 | 112.2 | E132 K133 A134 W138 S139 S140 | E132-Q136 WeakPolarHBondContact O-CB 3.26Å; E132-Q136 PolarHBondContact O-N 3.13Å; K133-Q136 WeakPolarHBondContact O-CB 3.41Å; K133-Q136 PolarHBondContact O-N 3.15Å; K133-Q136 VanDerWaalsContact O-N 3.13Å; A134-Q136 VanDerWaalsContact C-N 3.32Å; A134-Q136 PolarHBondContact O-N 2.84Å; Q136-W138 VanDerWaalsContact C-N 3.33Å; Q136-W138 PolarHBondContact O-N 2.88Å; Q136-S139 VanDerWaalsContact CA-OG 3.31Å; Q136-S139 WeakPolarHBondContact CA-OG 3.38Å; Q136-S139 PolarHBondContact O-N 3.27Å; Q136-S139 PolarHBondContact O-OG 3.39Å; Q136-S140 VanDerWaalsContact O-CB 3.24Å; Q136-S140 WeakPolarHBondContact O-CB 3.44Å; Q136-S140 PolarHBondContact O-N 3.33Å; Q136-S140 PolarHBondContact O-OG 3.43Å |
| 137 | V | 97.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.7 | -50.1 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.5 | K133 A134 F135 S140 F210 T214 F244 L246 | K133-V137 WeakPolarHBondContact O-CG2 3.24Å; K133-V137 PolarHBondContact O-N 2.67Å; A134-V137 PolarHBondContact O-N 2.65Å; F135-V137 VanDerWaalsContact C-N 3.31Å; F135-V137 PolarHBondContact O-N 2.9Å; V137-S140 PolarHBondContact O-OG 2.96Å; V137-F210 HydrophobicContact CG2-CE2 3.84Å; V137-F210 HydrophobicContact CG2-CZ 3.85Å; V137-T214 HydrophobicContact CB-CG2 3.74Å; V137-T214 HydrophobicContact CG1-CG2 3.71Å; V137-T214 HydrophobicContact CG2-CG2 4Å; V137-F244 HydrophobicContact CG2-CE1 4.27Å; V137-L246 HydrophobicContact CG1-CB 4.39Å; V137-L246 HydrophobicContact CG1-CD1 4.15Å; V137-L246 HydrophobicContact CG1-CD2 4.08Å; V137-L246 HydrophobicContact CG1-CG 4.44Å |
| 138 | W | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.4 | -40.5 | -178.1 | -63.6 | 116 | 0 | 0 | 0 | 113.7 | F135 Q136 S140 V141 T142 F146 T214 L221 L223 L232 M233 L246 D250 I254 | F135-W138 PolarHBondContact O-N 3.43Å; Q136-W138 VanDerWaalsContact C-N 3.33Å; Q136-W138 PolarHBondContact O-N 2.88Å; W138-S140 VanDerWaalsContact C-N 3.29Å; W138-S140 PolarHBondContact O-N 3.39Å; W138-V141 PolarHBondContact O-N 3.1Å; W138-T142 PolarHBondContact O-N 2.82Å; W138-T142 PolarHBondContact O-OG1 2.93Å; W138-F146 HydrophobicContact CB-CE2 4.46Å; W138-T214 WeakPolarHBondContact CZ2-O 3.23Å; W138-T214 PolarHBondContact NE1-O 2.94Å; W138-L221 HydrophobicContact CB-CD1 3.67Å; W138-L221 HydrophobicContact CD2-CD1 4.11Å; W138-L221 HydrophobicContact CG-CD1 3.6Å; W138-L223 HydrophobicContact CH2-CD1 3.39Å; W138-L223 HydrophobicContact CZ2-CD1 4.18Å; W138-L223 HydrophobicContact CZ3-CD1 3.65Å; W138-L232 HydrophobicContact CH2-CD2 4.38Å; W138-L232 HydrophobicContact CZ2-CD2 3.85Å; W138-M233 HydrophobicContact CH2-CG 4.42Å; W138-M233 HydrophobicContact CH2-SD 4.3Å; W138-M233 HydrophobicContact CZ2-SD 4.16Å; W138-L246 HydrophobicContact CE3-CD2 4.23Å; W138-L246 HydrophobicContact CH2-CD1 4.13Å; W138-L246 HydrophobicContact CZ3-CD1 4.32Å; W138-L246 HydrophobicContact CZ3-CD2 3.94Å; W138-D250 HydrophobicContact CH2-CB 4.28Å; W138-D250 HydrophobicContact CZ3-CB 4.4Å; W138-I254 HydrophobicContact CE3-CB 4.07Å; W138-I254 HydrophobicContact CE3-CD1 4.32Å; W138-I254 HydrophobicContact CE3-CG1 3.88Å; W138-I254 HydrophobicContact CE3-CG2 4.04Å; W138-I254 HydrophobicContact CZ3-CB 3.92Å; W138-I254 HydrophobicContact CZ3-CG1 4.18Å; W138-I254 HydrophobicContact CZ3-CG2 4Å |
| 139 | S | 97.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.3 | -25.5 | 176.9 | 54.3 | 0 | 0 | 0 | 0 | 113 | F135 Q136 V141 L144 | F135-S139 PolarHBondContact O-N 3.25Å; F135-S139 PolarHBondContact O-OG 3.46Å; Q136-S139 VanDerWaalsContact CA-OG 3.31Å; Q136-S139 WeakPolarHBondContact CA-OG 3.38Å; Q136-S139 PolarHBondContact O-N 3.27Å; Q136-S139 PolarHBondContact O-OG 3.39Å; S139-V141 PolarHBondContact O-N 3Å; S139-L144 WeakPolarHBondContact CB-O 3.28Å |
| 140 | S | 97 | Very high | 98.2 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.6 | -26.3 | 176.4 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | Q136 V137 W138 S261 | Q136-S140 VanDerWaalsContact O-CB 3.24Å; Q136-S140 WeakPolarHBondContact O-CB 3.44Å; Q136-S140 PolarHBondContact O-N 3.33Å; Q136-S140 PolarHBondContact O-OG 3.43Å; V137-S140 PolarHBondContact O-OG 2.96Å; W138-S140 VanDerWaalsContact C-N 3.29Å; W138-S140 PolarHBondContact O-N 3.39Å; S140-S261 WeakPolarHBondContact O-CB 3.48Å |
| 141 | V | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -111.1 | -0.9 | -175.2 | -48.4 | 0 | 0 | 0 | 0 | 113.5 | W138 S139 L246 I251 I254 Q255 S261 P267 | W138-V141 PolarHBondContact O-N 3.1Å; S139-V141 PolarHBondContact O-N 3Å; V141-L246 HydrophobicContact CG1-CD2 4.41Å; V141-L246 HydrophobicContact CG2-CD2 4.23Å; V141-I251 HydrophobicContact CB-CG2 4.41Å; V141-I251 HydrophobicContact CG1-CD1 4.43Å; V141-I251 HydrophobicContact CG1-CG1 4.19Å; V141-I254 HydrophobicContact CG2-CG2 3.7Å; V141-Q255 WeakPolarHBondContact O-CG 3.11Å; V141-Q255 PolarHBondContact O-NE2 3Å; V141-S261 PolarHBondContact O-N 2.85Å; V141-P267 HydrophobicContact CB-CG 4.16Å; V141-P267 HydrophobicContact CG1-CB 4.4Å; V141-P267 HydrophobicContact CG1-CG 3.43Å; V141-P267 VanDerWaalsContact CG1-CG 3.43Å |
| 142 | T | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -135.7 | 173.3 | -177.8 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | W138 L144 I254 S261 | W138-T142 PolarHBondContact O-N 2.82Å; W138-T142 PolarHBondContact O-OG1 2.93Å; T142-L144 PolarHBondContact O-N 3.41Å; T142-L144 WeakPolarHBondContact OG1-CB 3.4Å; T142-L144 WeakPolarHBondContact OG1-CG 3.31Å; T142-L144 PolarHBondContact OG1-N 3.48Å; T142-I254 HydrophobicContact CG2-CB 4.35Å; T142-I254 HydrophobicContact CG2-CG1 3.69Å; T142-I254 HydrophobicContact CG2-CG2 3.81Å; T142-S261 WeakPolarHBondContact O-CA 3.46Å |
| 143 | P | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -77.3 | -0.4 | 167.8 | -17.5 | 32.2 | 0 | 0 | 0 | 114.7 | Y258 G259 P260 | P143-Y258 WeakPolarHBondContact CD-O 3.23Å; P143-G259 VanDerWaalsContact CD-O 3.27Å; P143-G259 WeakPolarHBondContact CD-O 3.1Å; P143-P260 WeakPolarHBondContact CD-O 3.34Å; P143-P260 VanDerWaalsContact CG-O 3.3Å; P143-P260 WeakPolarHBondContact CG-O 3.31Å |
| 144 | L | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | trans | -65.9 | 141.3 | -176.1 | -64.3 | 173 | 0 | 0 | 0 | 111.1 | T109 L111 S139 T142 F146 L221 Y258 | T109-L144 HydrophobicContact CG2-CD2 4.18Å; T109-L144 WeakPolarHBondContact O-CA 3.46Å; L111-L144 HydrophobicContact CD1-CD2 4.27Å; S139-L144 WeakPolarHBondContact CB-O 3.28Å; T142-L144 PolarHBondContact O-N 3.41Å; T142-L144 WeakPolarHBondContact OG1-CB 3.4Å; T142-L144 WeakPolarHBondContact OG1-CG 3.31Å; T142-L144 PolarHBondContact OG1-N 3.48Å; L144-F146 HydrophobicContact CB-CE2 3.94Å; L144-F146 HydrophobicContact CB-CZ 3.89Å; L144-F146 HydrophobicContact CD1-CZ 4.05Å; L144-L221 HydrophobicContact CD1-CD1 3.99Å; L144-L221 HydrophobicContact CD1-CD2 3.71Å; L144-L221 HydrophobicContact CD1-CG 4.4Å; L144-Y258 HydrophobicContact CD1-CD1 4.36Å; L144-Y258 HydrophobicContact CD1-CD2 3.84Å; L144-Y258 HydrophobicContact CD1-CE2 4.05Å; L144-Y258 HydrophobicContact CD1-CG 4Å; L144-Y258 HydrophobicContact CD2-CD1 3.67Å; L144-Y258 HydrophobicContact CD2-CE1 3.94Å; L144-Y258 HydrophobicContact CD2-CG 4.04Å; L144-Y258 HydrophobicContact CG-CD1 4.24Å; L144-Y258 HydrophobicContact CG-CD2 4.42Å; L144-Y258 HydrophobicContact CG-CG 4.08Å | ||
| 145 | T | 98.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 56 Ų | 56 | 37% | 0.368 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.1 | 169.8 | 78 | 0 | 0 | 0 | 0 | 109.7 | T109 D110 L111 | T109-T145 PolarHBondContact O-N 3.09Å; D110-T145 WeakPolarHBondContact CA-OG1 3.24Å; D110-T145 PolarHBondContact OD1-OG1 3.49Å; L111-T145 PolarHBondContact N-O 2.73Å |
| 146 | F | 98.7 | Very high | 97.4 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.8 | -176 | -59 | -79.3 | 0 | 0 | 0 | 109.7 | L111 Y113 F135 W138 L144 L221 | L111-F146 HydrophobicContact CB-CD1 3.85Å; L111-F146 HydrophobicContact CB-CE1 4Å; L111-F146 HydrophobicContact CD1-CD1 4.4Å; L111-F146 HydrophobicContact CD1-CE1 3.68Å; L111-F146 HydrophobicContact CD1-CZ 4.43Å; L111-F146 HydrophobicContact CG-CE1 4.44Å; L111-F146 CarbonylContact O-C 3.58Å; L111-F146 VanDerWaalsContact O-CA 3.3Å; L111-F146 WeakPolarHBondContact O-CA 3.24Å; Y113-F146 HydrophobicContact CD1-CB 4.31Å; Y113-F146 HydrophobicContact CE1-CB 4.45Å; F135-F146 HydrophobicContact CB-CB 4.06Å; F135-F146 HydrophobicContact CB-CD2 3.73Å; F135-F146 HydrophobicContact CB-CE2 4.34Å; F135-F146 HydrophobicContact CB-CG 3.91Å; F135-F146 HydrophobicContact CD1-CB 3.91Å; F135-F146 AromaticContact CD1-CD1 3.21Å; F135-F146 HydrophobicContact CD1-CD1 3.21Å; F135-F146 AromaticContact CD1-CD2 3.67Å; F135-F146 HydrophobicContact CD1-CD2 3.67Å; F135-F146 AromaticContact CD1-CE1 3.49Å; F135-F146 HydrophobicContact CD1-CE1 3.49Å; F135-F146 VanDerWaalsContact CD1-CE1 3.49Å; F135-F146 AromaticContact CD1-CE2 3.93Å; F135-F146 HydrophobicContact CD1-CE2 3.93Å; F135-F146 AromaticContact CD1-CG 3.3Å; F135-F146 HydrophobicContact CD1-CG 3.3Å; F135-F146 AromaticContact CD1-CZ 3.84Å; F135-F146 HydrophobicContact CD1-CZ 3.84Å; F135-F146 AromaticContact CE1-CD1 3.42Å; F135-F146 HydrophobicContact CE1-CD1 3.42Å; F135-F146 VanDerWaalsContact CE1-CD1 3.42Å; F135-F146 AromaticContact CE1-CE1 3.67Å; F135-F146 HydrophobicContact CE1-CE1 3.67Å; F135-F146 AromaticContact CE1-CG 3.97Å; F135-F146 HydrophobicContact CE1-CG 3.97Å; F135-F146 HydrophobicContact CE1-CZ 4.4Å; F135-F146 HydrophobicContact CG-CB 3.97Å; F135-F146 HydrophobicContact CG-CD1 4.13Å; F135-F146 HydrophobicContact CG-CD2 4.07Å; F135-F146 AromaticContact CG-CG 3.79Å; F135-F146 HydrophobicContact CG-CG 3.79Å; F135-F146 HydrophobicContact CZ-CD1 4.48Å; W138-F146 HydrophobicContact CB-CE2 4.46Å; L144-F146 HydrophobicContact CB-CE2 3.94Å; L144-F146 HydrophobicContact CB-CZ 3.89Å; L144-F146 HydrophobicContact CD1-CZ 4.05Å; F146-L221 HydrophobicContact CE1-CD2 4.01Å; F146-L221 HydrophobicContact CZ-CD1 4.09Å; F146-L221 HydrophobicContact CZ-CD2 3.95Å |
| 147 | T | 98.4 | Very high | 97.4 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.4 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | L111 T112 Y113 | L111-T147 PolarHBondContact O-N 3.23Å; T112-T147 CarbonylContact C-O 3.53Å; T112-T147 WeakPolarHBondContact CA-O 3.39Å; Y113-T147 PolarHBondContact N-O 3.22Å |
| 148 | R | 98.3 | Very high | 97.5 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 130.9 | 174.6 | -169.5 | 172.5 | 172 | -165.6 | 0.3 | 110.9 | Y113 Y118 E128 Y150 | Y113-R148 HydrophobicContact CD1-CB 4.35Å; Y113-R148 HydrophobicContact CD2-CG 4.41Å; Y113-R148 HydrophobicContact CE1-CB 3.71Å; Y113-R148 HydrophobicContact CE1-CG 4.42Å; Y113-R148 HydrophobicContact CE2-CB 4.09Å; Y113-R148 HydrophobicContact CE2-CG 3.9Å; Y113-R148 CarbonylContact O-C 3.5Å; Y113-R148 VanDerWaalsContact O-CA 3.32Å; Y113-R148 WeakPolarHBondContact O-CA 3.25Å; Y118-R148 PolarHBondContact OH-NH2 3.2Å; E128-R148 VanDerWaalsContact CD-NH2 3.32Å; E128-R148 IonicContact OE1-CZ 2.88Å; E128-R148 IonicContact OE1-NH1 3.09Å; E128-R148 PolarHBondContact OE1-NH1 3.01Å; E128-R148 IonicContact OE1-NH2 3.3Å; E128-R148 PolarHBondContact OE1-NH2 2.83Å; E128-R148 IonicContact OE2-CZ 3.73Å; E128-R148 IonicContact OE2-NH1 3.09Å; E128-R148 PolarHBondContact OE2-NH1 2.69Å; E128-R148 IonicContact OE2-NH2 3.26Å; R148-Y150 HydrophobicContact CB-CE2 4.5Å; R148-Y150 HydrophobicContact CG-CE1 4.45Å; R148-Y150 HydrophobicContact CG-CE2 4.18Å; R148-Y150 PolarHBondContact NH1-OH 3.5Å |
| 149 | V | 98.2 | Very high | 97.5 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | trans | -112.3 | 154.2 | 168.8 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | T112 Y113 E152 | T112-V149 HydrophobicContact CG2-CG1 4.05Å; Y113-V149 PolarHBondContact O-N 2.98Å; V149-E152 HydrophobicContact CB-CG 4.42Å; V149-E152 HydrophobicContact CG2-CG 4.3Å; V149-E152 WeakPolarHBondContact CG2-O 3.22Å | ||
| 150 | Y | 96.4 | Very high | 97.5 | Very high | 164 Ų | 164 | 47.7 Ų | 47.7 | 64% | 0.643 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -122.5 | -33.3 | -169.8 | -66.2 | -91.4 | 0 | 0 | 0 | 114.2 | R148 | R148-Y150 HydrophobicContact CB-CE2 4.5Å; R148-Y150 HydrophobicContact CG-CE1 4.45Å; R148-Y150 HydrophobicContact CG-CE2 4.18Å; R148-Y150 PolarHBondContact NH1-OH 3.5Å |
| 151 | D | 91.5 | Very high | 97.5 | Very high | 173 Ų | 173 | 48.2 Ų | 48.2 | 93% | 0.925 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -99.6 | -5.9 | -172.3 | -61.3 | -46.2 | 0 | 0 | 0 | 113.1 | ||
| 152 | E | 93.9 | Very high | 97.5 | Very high | 138 Ų | 138 | 54.5 Ų | 54.5 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -145.1 | 164.4 | -178.5 | 64.8 | -172.6 | 169.1 | 0 | 0 | 111.2 | V149 | V149-E152 HydrophobicContact CB-CG 4.42Å; V149-E152 HydrophobicContact CG2-CG 4.3Å; V149-E152 WeakPolarHBondContact CG2-O 3.22Å |
| 153 | D | 96.1 | Very high | 97.3 | Very high | 118 Ų | 118 | 55.6 Ų | 55.6 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | trans | -72.2 | 130.4 | 172.7 | -66 | -24.5 | 0 | 0 | 0 | 109.7 | V157 | D153-V157 HydrophobicContact CB-CG2 3.9Š| ||
| 154 | G | 97 | Very high | 97.2 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -78.6 | -175.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T112 S114 I156 | T112-G154 WeakPolarHBondContact OG1-CA 3.46Å; S114-G154 PolarHBondContact OG-N 3.27Å; G154-I156 PolarHBondContact O-N 2.86Å | ||
| 155 | D | 98.2 | Very high | 97.1 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -64.1 | -24.7 | 168.9 | -56.7 | -73 | 0 | 0 | 0 | 112.3 | W106 K108 L111 T112 | W106-D155 HydrophobicContact CH2-CB 4.13Å; W106-D155 HydrophobicContact CZ2-CB 4.38Å; W106-D155 HydrophobicContact CZ3-CB 4.45Å; K108-D155 VanDerWaalsContact CE-CG 3.43Å; K108-D155 WeakPolarHBondContact CE-OD1 3.33Å; K108-D155 WeakPolarHBondContact CE-OD2 3.36Å; K108-D155 IonicContact NZ-OD1 3.36Å; K108-D155 PolarHBondContact NZ-OD1 3.02Å; K108-D155 IonicContact NZ-OD2 3.48Å; K108-D155 PolarHBondContact NZ-OD2 2.76Å; L111-D155 HydrophobicContact CD2-CB 4.09Å; T112-D155 PolarHBondContact N-OD2 3.3Å; T112-D155 WeakPolarHBondContact O-CB 3.44Å; T112-D155 PolarHBondContact O-N 3.48Å; T112-D155 PolarHBondContact OG1-N 3.43Å; T112-D155 PolarHBondContact OG1-OD2 3.23Å |
| 156 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 114.4 | 177.8 | -64.8 | 168.3 | 0 | 0 | 0 | 108.3 | W106 T112 Y113 S114 F135 G154 L158 G190 V192 L217 | W106-I156 HydrophobicContact CZ2-CG1 4.47Å; T112-I156 PolarHBondContact O-N 3.26Å; T112-I156 VanDerWaalsContact O-N 3.11Å; Y113-I156 CarbonylContact C-O 3.56Å; Y113-I156 WeakPolarHBondContact CA-O 3.35Å; Y113-I156 WeakPolarHBondContact CB-O 3.45Å; S114-I156 PolarHBondContact N-O 2.75Å; F135-I156 HydrophobicContact CE1-CD1 3.96Å; F135-I156 HydrophobicContact CZ-CD1 4.38Å; F135-I156 HydrophobicContact CZ-CG2 4.21Å; G154-I156 PolarHBondContact O-N 2.86Å; I156-L158 HydrophobicContact CG2-CD2 3.91Å; I156-L158 HydrophobicContact CG2-CG 4.44Å; I156-G190 WeakPolarHBondContact CG2-O 3.18Å; I156-V192 HydrophobicContact CG2-CG2 4.29Å; I156-L217 HydrophobicContact CD1-CD2 4.35Å; I156-L217 HydrophobicContact CG2-CD2 4.04Å |
| 157 | V | 98.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.7 | 172.8 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | L116 D153 D191 V192 | L116-V157 HydrophobicContact CB-CG1 3.99Å; D153-V157 HydrophobicContact CB-CG2 3.9Å; V157-D191 HydrophobicContact CB-CB 4.49Å; V157-D191 VanDerWaalsContact CB-OD1 3.31Å; V157-D191 WeakPolarHBondContact CB-OD1 3.35Å; V157-D191 WeakPolarHBondContact CG2-OD1 3.43Å; V157-D191 PolarHBondContact N-OD1 2.79Å; V157-D191 WeakPolarHBondContact O-CA 3.23Å; V157-V192 PolarHBondContact O-N 3.07Å |
| 158 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.3 | 174.9 | -56 | 176.6 | 0 | 0 | 0 | 109.4 | Y113 S114 I115 L116 F131 F135 I156 V192 F194 L217 | Y113-L158 HydrophobicContact CD2-CD1 4Å; Y113-L158 HydrophobicContact CE2-CD1 4.43Å; S114-L158 PolarHBondContact O-N 2.97Å; I115-L158 HydrophobicContact CG1-CB 4.44Å; I115-L158 HydrophobicContact CG1-CD1 4.3Å; L116-L158 PolarHBondContact N-O 3.5Å; F131-L158 HydrophobicContact CB-CD1 3.82Å; F131-L158 HydrophobicContact CD1-CD1 3.98Å; F131-L158 HydrophobicContact CD2-CB 4.46Å; F131-L158 HydrophobicContact CD2-CD1 3.48Å; F131-L158 VanDerWaalsContact CD2-CD1 3.48Å; F131-L158 HydrophobicContact CE1-CD1 4.38Å; F131-L158 HydrophobicContact CE2-CB 4.07Å; F131-L158 HydrophobicContact CE2-CD1 3.9Å; F131-L158 HydrophobicContact CG-CD1 3.51Å; F131-L158 HydrophobicContact CZ-CB 4.35Å; F131-L158 HydrophobicContact CZ-CD1 4.33Å; F135-L158 HydrophobicContact CE2-CD1 4.04Å; I156-L158 HydrophobicContact CG2-CD2 3.91Å; I156-L158 HydrophobicContact CG2-CG 4.44Å; L158-V192 HydrophobicContact CD2-CB 3.59Å; L158-V192 HydrophobicContact CD2-CG1 4.45Å; L158-V192 HydrophobicContact CD2-CG2 3.62Å; L158-F194 HydrophobicContact CD2-CE2 4.34Å; L158-L217 HydrophobicContact CD2-CD2 4.29Å |
| 159 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L116 Y161 V192 H193 F194 | L116-A159 HydrophobicContact CB-CB 4Å; L116-A159 HydrophobicContact CD2-CB 4.07Å; A159-Y161 HydrophobicContact CB-CD2 4.18Å; A159-Y161 HydrophobicContact CB-CE2 3.41Å; A159-Y161 VanDerWaalsContact CB-CE2 3.41Å; A159-V192 PolarHBondContact N-O 3.07Å; A159-H193 CarbonylContact O-C 3.52Å; A159-H193 VanDerWaalsContact O-CA 3.32Å; A159-H193 WeakPolarHBondContact O-CA 3.48Å; A159-F194 WeakPolarHBondContact O-CD2 3.48Å; A159-F194 PolarHBondContact O-N 3.42Å |
| 160 | F | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.4 | 175.3 | -60 | -100.2 | 0 | 0 | 0 | 110.2 | N117 T119 V127 F131 F194 L196 W200 L209 | N117-F160 PolarHBondContact ND2-O 2.91Å; N117-F160 WeakPolarHBondContact OD1-CB 3.09Å; N117-F160 WeakPolarHBondContact OD1-CD2 3.4Å; N117-F160 PolarHBondContact OD1-N 2.92Å; N117-F160 PolarHBondContact OD1-O 2.82Å; T119-F160 HydrophobicContact CG2-CE1 3.91Å; T119-F160 HydrophobicContact CG2-CZ 3.92Å; V127-F160 HydrophobicContact CG1-CE2 4.15Å; V127-F160 HydrophobicContact CG1-CZ 4.23Å; F131-F160 HydrophobicContact CE2-CE2 4.18Å; F131-F160 HydrophobicContact CE2-CZ 4.4Å; F131-F160 AromaticContact CZ-CE2 3.9Å; F131-F160 HydrophobicContact CZ-CE2 3.9Å; F131-F160 AromaticContact CZ-CZ 3.76Å; F131-F160 HydrophobicContact CZ-CZ 3.76Å; F160-F194 CarbonylContact C-O 3.56Å; F160-F194 VanDerWaalsContact CA-O 3.28Å; F160-F194 WeakPolarHBondContact CA-O 3.47Å; F160-F194 HydrophobicContact CD1-CB 3.43Å; F160-F194 VanDerWaalsContact CD1-CB 3.43Å; F160-F194 HydrophobicContact CD1-CD2 4.44Å; F160-F194 HydrophobicContact CD1-CG 4.17Å; F160-F194 HydrophobicContact CE1-CB 3.73Å; F160-F194 HydrophobicContact CE1-CD2 4.3Å; F160-F194 HydrophobicContact CE1-CG 4.04Å; F160-F194 HydrophobicContact CG-CB 4.09Å; F160-F194 HydrophobicContact CZ-CD2 4.41Å; F160-L196 HydrophobicContact CB-CD1 4.08Å; F160-L196 HydrophobicContact CB-CD2 3.32Å; F160-L196 HydrophobicContact CB-CG 3.47Å; F160-L196 VanDerWaalsContact CB-CG 3.47Å; F160-L196 HydrophobicContact CD1-CD2 4.1Å; F160-L196 HydrophobicContact CG-CD2 3.98Å; F160-W200 AromaticContact CD1-NE1 3.94Å; F160-W200 HydrophobicContact CE1-CD2 4.44Å; F160-W200 HydrophobicContact CE1-CG 4.35Å; F160-W200 AromaticContact CE1-NE1 3.97Å; F160-L209 HydrophobicContact CE1-CD1 3.96Å; F160-L209 HydrophobicContact CZ-CD1 3.96Å; F160-L209 HydrophobicContact CZ-CD2 4.04Å |
| 161 | Y | 97.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 64 Ų | 64 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 170.1 | -176.5 | -65.4 | -67.2 | 0 | 0 | 0 | 112.4 | L116 A159 H165 H193 F194 L196 | L116-Y161 WeakPolarHBondContact CD2-OH 3.05Å; A159-Y161 HydrophobicContact CB-CD2 4.18Å; A159-Y161 HydrophobicContact CB-CE2 3.41Å; A159-Y161 VanDerWaalsContact CB-CE2 3.41Å; Y161-H165 HydrophobicContact CD1-CB 3.87Å; Y161-H165 HydrophobicContact CD2-CB 4.23Å; Y161-H165 AromaticContact CD2-CD2 3.52Å; Y161-H165 HydrophobicContact CG-CB 3.66Å; Y161-H165 AromaticContact CG-CD2 3.81Å; Y161-H165 AromaticContact CG-CG 3.8Å; Y161-H193 HydrophobicContact CD2-CB 4.06Å; Y161-H193 AromaticContact CD2-CD2 3.97Å; Y161-H193 AromaticContact CD2-CG 3.77Å; Y161-H193 AromaticContact CE2-CD2 3.55Å; Y161-H193 AromaticContact CE2-CE1 3.93Å; Y161-H193 AromaticContact CE2-CG 3.82Å; Y161-H193 AromaticContact CE2-NE2 3.62Å; Y161-F194 PolarHBondContact N-O 3.45Å; Y161-L196 WeakPolarHBondContact O-CB 3.39Å; Y161-L196 PolarHBondContact O-N 3.39Å |
| 162 | R | 96.1 | Very high | 95.4 | Very high | 135 Ų | 135 | 59.8 Ų | 59.8 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | trans | -127.7 | 139.9 | 171.4 | -68.4 | -172.7 | 177.7 | -169.3 | -8 | 109.9 | D164 L196 D197 | R162-D164 PolarHBondContact O-N 2.92Å; R162-L196 HydrophobicContact CG-CB 3.52Å; R162-L196 HydrophobicContact CG-CD1 4.21Å; R162-L196 HydrophobicContact CG-CG 4.44Å; R162-D197 VanDerWaalsContact CD-OD1 3.26Å; R162-D197 WeakPolarHBondContact CD-OD1 3.31Å; R162-D197 IonicContact CZ-OD1 2.73Å; R162-D197 VanDerWaalsContact CZ-OD1 3.26Å; R162-D197 IonicContact NE-OD1 3.87Å; R162-D197 PolarHBondContact NE-OD1 2.92Å; R162-D197 VanDerWaalsContact NE-OD1 3.09Å; R162-D197 IonicContact NH1-OD1 3.64Å; R162-D197 IonicContact NH2-OD1 3.62Å | ||
| 163 | G | 95.6 | Very high | 95 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 25% | 0.247 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 53.4 | -134.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H165 P170 F171 | G163-H165 PolarHBondContact O-ND1 3.45Å; G163-P170 CarbonylContact O-C 3.42Å; G163-P170 VanDerWaalsContact O-CA 3.3Å; G163-P170 WeakPolarHBondContact O-CA 3.48Å; G163-F171 WeakPolarHBondContact CA-O 3.41Å; G163-F171 PolarHBondContact O-N 3.46Å |
| 164 | D | 96.1 | Very high | 94.6 | Very high | 118 Ų | 118 | 52.1 Ų | 52.1 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | trans | -70.6 | 128.6 | 173.8 | -169.8 | 21.7 | 0 | 0 | 0 | 111.8 | R162 P170 | R162-D164 PolarHBondContact O-N 2.92Å; D164-P170 HydrophobicContact CB-CB 4.17Å | ||
| 165 | H | 96.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | trans | -141.8 | 38.4 | -175.1 | 55.6 | -81.8 | 0 | 0 | 0 | 112 | Y161 G163 D167 N169 F171 H180 H193 | Y161-H165 HydrophobicContact CD1-CB 3.87Å; Y161-H165 HydrophobicContact CD2-CB 4.23Å; Y161-H165 AromaticContact CD2-CD2 3.52Å; Y161-H165 HydrophobicContact CG-CB 3.66Å; Y161-H165 AromaticContact CG-CD2 3.81Å; Y161-H165 AromaticContact CG-CG 3.8Å; G163-H165 PolarHBondContact O-ND1 3.45Å; H165-D167 VanDerWaalsContact C-N 3.28Å; H165-D167 IonicContact CD2-OD1 3.15Å; H165-D167 IonicContact CD2-OD2 3.94Å; H165-D167 PolarHBondContact CD2-OD2 3.44Å; H165-D167 IonicContact CE1-OD1 2.63Å; H165-D167 IonicContact NE2-OD1 3.29Å; H165-D167 IonicContact NE2-OD2 2.95Å; H165-D167 PolarHBondContact NE2-OD2 3.33Å; H165-D167 VanDerWaalsContact NE2-OD2 3.09Å; H165-D167 PolarHBondContact O-N 3.35Å; H165-N169 PolarHBondContact CE1-O 3.12Å; H165-F171 AromaticContact CE1-CD2 3.47Å; H165-F171 VanDerWaalsContact CE1-CD2 3.47Å; H165-F171 WeakPolarHBondContact CE1-CD2 3.37Å; H165-F171 AromaticContact CE1-CE2 3.45Å; H165-F171 VanDerWaalsContact CE1-CE2 3.45Å; H165-F171 WeakPolarHBondContact CE1-CE2 3.36Å; H165-F171 AromaticContact ND1-CD2 3.87Å; H165-F171 AromaticContact NE2-CE2 3.82Å; H165-H180 AromaticContact CE1-CE1 3.58Å; H165-H180 AromaticContact NE2-CE1 3.33Å; H165-H180 PolarHBondContact NE2-CE1 2.75Å; H165-H180 VanDerWaalsContact NE2-CE1 3.33Å; H165-H180 AromaticContact NE2-NE2 3.46Å; H165-H180 PolarHBondContact NE2-NE2 3.1Å; H165-H193 AromaticContact CD2-CE1 3.91Å; H165-H193 AromaticContact CD2-ND1 3.31Å; H165-H193 PolarHBondContact CD2-ND1 3.12Å; H165-H193 VanDerWaalsContact CD2-ND1 3.31Å; H165-H193 AromaticContact NE2-CG 3.85Å; H165-H193 AromaticContact NE2-ND1 3.16Å; H165-H193 PolarHBondContact NE2-ND1 2.92Å; H165-H193 VanDerWaalsContact NE2-ND1 3.16Å | ||
| 166 | D | 93.6 | Very high | 93.4 | Very high | 157 Ų | 157 | 56.2 Ų | 56.2 | 84% | 0.84 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 65.4 | 17.2 | 166.2 | -60.7 | -45.4 | 0 | 0 | 0 | 116.3 | ||
| 167 | D | 92.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -113.8 | 3.7 | 178 | 75 | -4.2 | 0 | 0 | 0 | 114.4 | H165 N169 H180 F182 H193 | H165-D167 VanDerWaalsContact C-N 3.28Å; H165-D167 IonicContact CD2-OD1 3.15Å; H165-D167 IonicContact CD2-OD2 3.94Å; H165-D167 PolarHBondContact CD2-OD2 3.44Å; H165-D167 IonicContact CE1-OD1 2.63Å; H165-D167 IonicContact NE2-OD1 3.29Å; H165-D167 IonicContact NE2-OD2 2.95Å; H165-D167 PolarHBondContact NE2-OD2 3.33Å; H165-D167 VanDerWaalsContact NE2-OD2 3.09Å; H165-D167 PolarHBondContact O-N 3.35Å; D167-N169 VanDerWaalsContact C-N 3.26Å; D167-N169 PolarHBondContact O-N 3.25Å; D167-N169 PolarHBondContact O-ND2 2.8Å; D167-N169 WeakPolarHBondContact OD1-CA 3.47Å; D167-N169 PolarHBondContact OD1-N 3.21Å; D167-H180 IonicContact OD2-CD2 3.89Å; D167-H180 IonicContact OD2-CE1 3.66Å; D167-H180 IonicContact OD2-NE2 3.58Å; D167-H180 PolarHBondContact OD2-NE2 3.17Å; D167-F182 HydrophobicContact CB-CZ 3.91Å; D167-F182 WeakPolarHBondContact OD2-CZ 3.34Å; D167-H193 IonicContact OD2-CE1 3.56Å; D167-H193 PolarHBondContact OD2-CE1 2.95Å; D167-H193 VanDerWaalsContact OD2-CE1 3.3Å; D167-H193 IonicContact OD2-ND1 2.95Å; D167-H193 PolarHBondContact OD2-ND1 2.96Å |
| 168 | N | 89.8 | Confident | 93 | Very high | 150 Ų | 150 | 56 Ų | 56 | 80% | 0.802 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 65.8 | 12.4 | -173.1 | -54.4 | -73.4 | 0 | 0 | 0 | 116.1 | P170 | N168-P170 VanDerWaalsContact C-CD 3.5Å; N168-P170 WeakPolarHBondContact O-CD 3.35Å |
| 169 | N | 89.9 | Confident | 93 | Very high | 78 Ų | 78 | 56 Ų | 56 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | trans | -123 | 69.6 | 174.4 | -58.4 | -74.3 | 0 | 0 | 0 | 109.7 | H165 D167 H180 | H165-N169 PolarHBondContact CE1-O 3.12Å; D167-N169 VanDerWaalsContact C-N 3.26Å; D167-N169 PolarHBondContact O-N 3.25Å; D167-N169 PolarHBondContact O-ND2 2.8Å; D167-N169 WeakPolarHBondContact OD1-CA 3.47Å; D167-N169 PolarHBondContact OD1-N 3.21Å; N169-H180 PolarHBondContact O-CE1 2.98Å | ||
| 170 | P | 93.5 | Very high | 92.9 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | trans | -63.5 | 140.2 | -177.4 | 28.3 | -35.9 | 0 | 0 | 0 | 111.6 | G163 D164 N168 | G163-P170 CarbonylContact O-C 3.42Å; G163-P170 VanDerWaalsContact O-CA 3.3Å; G163-P170 WeakPolarHBondContact O-CA 3.48Å; D164-P170 HydrophobicContact CB-CB 4.17Å; N168-P170 VanDerWaalsContact C-CD 3.5Å; N168-P170 WeakPolarHBondContact O-CD 3.35Å | ||
| 171 | F | 94.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | trans | -70 | 156.3 | 169.3 | -69.9 | -56.2 | 0 | 0 | 0 | 111.7 | G163 H165 H180 H193 D195 | G163-F171 WeakPolarHBondContact CA-O 3.41Å; G163-F171 PolarHBondContact O-N 3.46Å; H165-F171 AromaticContact CE1-CD2 3.47Å; H165-F171 VanDerWaalsContact CE1-CD2 3.47Å; H165-F171 WeakPolarHBondContact CE1-CD2 3.37Å; H165-F171 AromaticContact CE1-CE2 3.45Å; H165-F171 VanDerWaalsContact CE1-CE2 3.45Å; H165-F171 WeakPolarHBondContact CE1-CE2 3.36Å; H165-F171 AromaticContact ND1-CD2 3.87Å; H165-F171 AromaticContact NE2-CE2 3.82Å; F171-H180 AromaticContact CE1-CE1 3.86Å; F171-H180 AromaticContact CE1-ND1 3.46Å; F171-H180 WeakPolarHBondContact CE1-ND1 3.17Å; F171-H180 AromaticContact CZ-CE1 3.71Å; F171-H180 AromaticContact CZ-ND1 3.67Å; F171-H193 HydrophobicContact CE2-CB 4.17Å; F171-H193 HydrophobicContact CZ-CB 3.93Å; F171-D195 HydrophobicContact CB-CB 4.18Å; F171-D195 WeakPolarHBondContact CB-OD2 3.44Å; F171-D195 HydrophobicContact CD1-CB 3.75Å; F171-D195 HydrophobicContact CD2-CB 3.85Å; F171-D195 HydrophobicContact CE1-CB 4.08Å; F171-D195 HydrophobicContact CE2-CB 4.16Å; F171-D195 HydrophobicContact CG-CB 3.66Å; F171-D195 HydrophobicContact CZ-CB 4.28Å | ||
| 172 | D | 89 | Confident | 92.8 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | trans | -112.3 | 8.4 | -170.2 | 63.2 | -18.9 | 0 | 0 | 0 | 114.7 | Y176 G177 | D172-Y176 WeakPolarHBondContact OD2-CB 3.42Å; D172-Y176 WeakPolarHBondContact OD2-CD1 3.32Å; D172-G177 PolarHBondContact OD1-N 3.04Å | ||
| 173 | G | 86.6 | Confident | 92.7 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | trans | 88.7 | -164.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 174 | P | 86.6 | Confident | 92.7 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 144.4 | -160.2 | 30 | -37.1 | 0 | 0 | 0 | 114.4 | ||
| 175 | N | 83.4 | Confident | 92.6 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 29.8 | 173.5 | -46.3 | -81.4 | 0 | 0 | 0 | 116.4 | E198 | N175-E198 WeakPolarHBondContact CA-OE1 3.45Å; N175-E198 PolarHBondContact N-OE1 3.17Å; N175-E198 PolarHBondContact N-OE2 3.13Å |
| 176 | Y | 86.7 | Confident | 92.3 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -134.2 | -87.4 | 176 | -160.8 | -95.6 | 0 | 0 | 0 | 113.2 | Y35 Y39 M84 P87 R88 D172 L178 E198 | Y35-Y176 WeakPolarHBondContact CD2-OH 3.48Å; Y39-Y176 AromaticContact CE2-CE1 3.89Å; Y39-Y176 HydrophobicContact CE2-CE1 3.89Å; Y39-Y176 WeakPolarHBondContact OH-CE1 3.46Å; M84-Y176 VanDerWaalsContact O-CE2 3.27Å; M84-Y176 WeakPolarHBondContact O-CE2 3.36Å; M84-Y176 PolarHBondContact O-OH 3.28Å; P87-Y176 WeakPolarHBondContact CA-O 3.45Å; R88-Y176 PolarHBondContact N-O 3.43Å; D172-Y176 WeakPolarHBondContact OD2-CB 3.42Å; D172-Y176 WeakPolarHBondContact OD2-CD1 3.32Å; Y176-L178 PolarHBondContact O-N 2.83Å; Y176-E198 PolarHBondContact N-OE1 3.01Å |
| 177 | G | 92.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 101.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | D172 | D172-G177 PolarHBondContact OD1-N 3.04Å |
| 178 | L | 97.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | trans | -75.5 | -42.2 | -171.8 | -59.4 | -177 | 0 | 0 | 0 | 113.6 | P87 R88 Y176 D195 E198 W200 F207 V212 Y237 | P87-L178 HydrophobicContact CB-CD1 4.09Å; P87-L178 HydrophobicContact CB-CD2 3.96Å; P87-L178 HydrophobicContact CB-CG 4.11Å; R88-L178 PolarHBondContact O-N 2.79Å; Y176-L178 PolarHBondContact O-N 2.83Å; L178-D195 PolarHBondContact O-N 3.48Å; L178-E198 HydrophobicContact CD2-CG 3.96Å; L178-E198 WeakPolarHBondContact CD2-OE1 3.17Å; L178-W200 HydrophobicContact CB-CH2 4.41Å; L178-W200 WeakPolarHBondContact O-CH2 3.44Å; L178-W200 VanDerWaalsContact O-CZ2 3.3Å; L178-W200 WeakPolarHBondContact O-CZ2 3.34Å; L178-F207 HydrophobicContact CD1-CD1 3.44Å; L178-F207 VanDerWaalsContact CD1-CD1 3.44Å; L178-F207 HydrophobicContact CD1-CE1 3.75Å; L178-F207 HydrophobicContact CD1-CG 4.06Å; L178-F207 HydrophobicContact CD2-CD1 3.61Å; L178-F207 HydrophobicContact CD2-CD2 3.62Å; L178-F207 HydrophobicContact CD2-CE1 3.57Å; L178-F207 HydrophobicContact CD2-CE2 3.56Å; L178-F207 HydrophobicContact CD2-CG 3.65Å; L178-F207 HydrophobicContact CD2-CZ 3.54Å; L178-F207 HydrophobicContact CG-CD1 4.18Å; L178-F207 HydrophobicContact CG-CE1 4.27Å; L178-F207 HydrophobicContact CG-CG 4.49Å; L178-V212 HydrophobicContact CB-CG1 4.4Å; L178-V212 HydrophobicContact CD1-CG2 4.13Å; L178-Y237 HydrophobicContact CD1-CD2 3.95Å; L178-Y237 HydrophobicContact CD1-CG 3.94Å | ||
| 179 | A | 98.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 166.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | G90 H193 F194 V212 E216 | G90-A179 PolarHBondContact N-O 2.79Å; A179-H193 CarbonylContact C-O 3.57Å; A179-H193 WeakPolarHBondContact CA-O 3.47Å; A179-H193 WeakPolarHBondContact CB-O 3.23Å; A179-F194 HydrophobicContact CB-CD1 3.77Å; A179-F194 HydrophobicContact CB-CE1 4.28Å; A179-F194 HydrophobicContact CB-CG 4.4Å; A179-V212 HydrophobicContact CB-CG1 3.68Å; A179-E216 HydrophobicContact CB-CG 3.61Å |
| 180 | H | 97.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 160.8 | 164.9 | 58.3 | -111.7 | 0 | 0 | 0 | 110.5 | V91 H165 D167 N169 F171 H193 E216 | V91-H180 HydrophobicContact CG2-CB 4Å; H165-H180 AromaticContact CE1-CE1 3.58Å; H165-H180 AromaticContact NE2-CE1 3.33Å; H165-H180 PolarHBondContact NE2-CE1 2.75Å; H165-H180 VanDerWaalsContact NE2-CE1 3.33Å; H165-H180 AromaticContact NE2-NE2 3.46Å; H165-H180 PolarHBondContact NE2-NE2 3.1Å; D167-H180 IonicContact OD2-CD2 3.89Å; D167-H180 IonicContact OD2-CE1 3.66Å; D167-H180 IonicContact OD2-NE2 3.58Å; D167-H180 PolarHBondContact OD2-NE2 3.17Å; N169-H180 PolarHBondContact O-CE1 2.98Å; F171-H180 AromaticContact CE1-CE1 3.86Å; F171-H180 AromaticContact CE1-ND1 3.46Å; F171-H180 WeakPolarHBondContact CE1-ND1 3.17Å; F171-H180 AromaticContact CZ-CE1 3.71Å; F171-H180 AromaticContact CZ-ND1 3.67Å; H180-H193 PolarHBondContact N-O 3.02Å; H180-H193 AromaticContact NE2-CG 3.82Å; H180-H193 AromaticContact NE2-ND1 3.35Å; H180-H193 PolarHBondContact NE2-ND1 3.05Å; H180-H193 PolarHBondContact O-N 2.9Å; H180-E216 VanDerWaalsContact C-OE2 3.32Å; H180-E216 VanDerWaalsContact CA-OE2 3.27Å; H180-E216 WeakPolarHBondContact CA-OE2 3.43Å |
| 181 | A | 97.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V91 D191 V192 E216 H219 | V91-A181 WeakPolarHBondContact CG2-O 3.46Å; A181-D191 WeakPolarHBondContact CA-O 3.48Å; A181-D191 WeakPolarHBondContact CB-O 3.21Å; A181-V192 HydrophobicContact CB-CB 4.38Å; A181-V192 HydrophobicContact CB-CG1 4.38Å; A181-V192 HydrophobicContact CB-CG2 3.95Å; A181-E216 HydrophobicContact CB-CB 3.98Å; A181-E216 VanDerWaalsContact CB-O 3.32Å; A181-E216 WeakPolarHBondContact CB-O 3.45Å; A181-E216 PolarHBondContact N-OE2 2.86Å; A181-H219 HydrophobicContact CB-CB 3.88Å |
| 182 | F | 95.6 | Very high | 93.3 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -96.1 | 143.5 | 176.5 | -63.5 | -87.6 | 0 | 0 | 0 | 110.6 | D167 I188 G190 D191 H193 S220 | D167-F182 HydrophobicContact CB-CZ 3.91Å; D167-F182 WeakPolarHBondContact OD2-CZ 3.34Å; F182-I188 VanDerWaalsContact CB-O 3.23Å; F182-I188 WeakPolarHBondContact CB-O 3.44Å; F182-I188 HydrophobicContact CD1-CD1 3.91Å; F182-I188 HydrophobicContact CD1-CG1 4.25Å; F182-I188 HydrophobicContact CD2-CD1 4.39Å; F182-I188 HydrophobicContact CD2-CG1 4.48Å; F182-I188 HydrophobicContact CE1-CD1 3.62Å; F182-I188 HydrophobicContact CE1-CG1 4.44Å; F182-I188 HydrophobicContact CE2-CD1 4.15Å; F182-I188 HydrophobicContact CG-CD1 4.3Å; F182-I188 HydrophobicContact CG-CG1 4.28Å; F182-I188 HydrophobicContact CZ-CD1 3.76Å; F182-G190 WeakPolarHBondContact O-CA 3.02Å; F182-G190 PolarHBondContact O-N 3.25Å; F182-G190 VanDerWaalsContact O-N 3.15Å; F182-D191 HydrophobicContact CD2-CB 4.26Å; F182-D191 PolarHBondContact N-O 2.91Å; F182-H193 AromaticContact CE2-CE1 3.79Å; F182-H193 AromaticContact CE2-ND1 3.97Å; F182-S220 WeakPolarHBondContact O-CA 3.45Å |
| 183 | Q | 94.7 | Very high | 93.8 | Very high | 39 Ų | 39 | 33 Ų | 33 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 158.9 | 174.2 | -65.9 | -69.6 | -38.1 | 0 | 0 | 111.4 | P104 G185 G189 G190 L223 | P104-Q183 HydrophobicContact CB-CB 4.09Å; P104-Q183 HydrophobicContact CG-CB 3.68Å; P104-Q183 HydrophobicContact CG-CG 4.02Å; Q183-G185 PolarHBondContact O-N 3.35Å; Q183-G189 CarbonylContact O-C 3.29Å; Q183-G189 VanDerWaalsContact O-CA 3.31Å; Q183-G189 WeakPolarHBondContact O-CA 3.24Å; Q183-G190 PolarHBondContact O-N 3.5Å; Q183-G190 VanDerWaalsContact O-N 3.16Å; Q183-L223 PolarHBondContact NE2-O 2.97Å |
| 184 | P | 95.9 | Very high | 94.4 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -50.5 | 130.9 | 178.9 | -30 | 35.1 | 0 | 0 | 0 | 113.5 | P104 W106 S220 | P104-P184 HydrophobicContact CB-CB 4.45Å; P104-P184 WeakPolarHBondContact O-CD 3.35Å; P104-P184 VanDerWaalsContact O-CG 3.32Å; P104-P184 WeakPolarHBondContact O-CG 3.21Å; W106-P184 HydrophobicContact CD2-CB 3.87Å; W106-P184 HydrophobicContact CE3-CB 4.47Å; W106-P184 HydrophobicContact CG-CB 4.04Å; W106-P184 HydrophobicContact CG-CG 4.41Å; W106-P184 HydrophobicContact CZ2-CB 4.21Å; P184-S220 WeakPolarHBondContact CG-O 3.22Å |
| 185 | G | 92.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | trans | 172.8 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W106 Q183 G189 | W106-G185 WeakPolarHBondContact CH2-O 3.38Å; Q183-G185 PolarHBondContact O-N 3.35Å; G185-G189 CarbonylContact O-C 3.47Å | ||
| 186 | P | 90.7 | Very high | 95.5 | Very high | 129 Ų | 129 | 25.6 Ų | 25.6 | 84% | 0.838 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -75.7 | 161.6 | 174.9 | 32.7 | -35.5 | 0 | 0 | 0 | 112.1 | I188 G189 | P186-I188 PolarHBondContact O-N 2.99Å; P186-G189 PolarHBondContact O-N 3.34Å |
| 187 | G | 92.4 | Very high | 96 | Very high | 74 Ų | 74 | 26.2 Ų | 26.2 | 76% | 0.763 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | -123.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G189 | G187-G189 PolarHBondContact O-N 2.9Š|
| 188 | I | 93.7 | Very high | 96.2 | Very high | 86 Ų | 86 | 26.1 Ų | 26.1 | 44% | 0.441 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -0.2 | 177.6 | 67.2 | 175.4 | 0 | 0 | 0 | 113.8 | F182 P186 G190 D191 | F182-I188 VanDerWaalsContact CB-O 3.23Å; F182-I188 WeakPolarHBondContact CB-O 3.44Å; F182-I188 HydrophobicContact CD1-CD1 3.91Å; F182-I188 HydrophobicContact CD1-CG1 4.25Å; F182-I188 HydrophobicContact CD2-CD1 4.39Å; F182-I188 HydrophobicContact CD2-CG1 4.48Å; F182-I188 HydrophobicContact CE1-CD1 3.62Å; F182-I188 HydrophobicContact CE1-CG1 4.44Å; F182-I188 HydrophobicContact CE2-CD1 4.15Å; F182-I188 HydrophobicContact CG-CD1 4.3Å; F182-I188 HydrophobicContact CG-CG1 4.28Å; F182-I188 HydrophobicContact CZ-CD1 3.76Å; P186-I188 PolarHBondContact O-N 2.99Å; I188-G190 PolarHBondContact O-N 2.92Å; I188-D191 WeakPolarHBondContact CA-OD2 3.45Å; I188-D191 WeakPolarHBondContact O-CB 3.13Å; I188-D191 PolarHBondContact O-N 2.58Å; I188-D191 VanDerWaalsContact O-N 3.1Å |
| 189 | G | 95.4 | Very high | 96 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 121.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | W106 Q183 G185 P186 G187 | W106-G189 WeakPolarHBondContact CH2-O 3.44Å; Q183-G189 CarbonylContact O-C 3.29Å; Q183-G189 VanDerWaalsContact O-CA 3.31Å; Q183-G189 WeakPolarHBondContact O-CA 3.24Å; G185-G189 CarbonylContact O-C 3.47Å; P186-G189 PolarHBondContact O-N 3.34Å; G187-G189 PolarHBondContact O-N 2.9Å |
| 190 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | -22.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I156 F182 Q183 I188 S220 | I156-G190 WeakPolarHBondContact CG2-O 3.18Å; F182-G190 WeakPolarHBondContact O-CA 3.02Å; F182-G190 PolarHBondContact O-N 3.25Å; F182-G190 VanDerWaalsContact O-N 3.15Å; Q183-G190 PolarHBondContact O-N 3.5Å; Q183-G190 VanDerWaalsContact O-N 3.16Å; I188-G190 PolarHBondContact O-N 2.92Å; G190-S220 WeakPolarHBondContact O-CB 3.45Å; G190-S220 PolarHBondContact O-OG 2.87Å |
| 191 | D | 98.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | trans | -63 | 148.9 | -175.5 | -68.4 | -7.7 | 0 | 0 | 0 | 112.1 | V157 A181 F182 I188 | V157-D191 HydrophobicContact CB-CB 4.49Å; V157-D191 VanDerWaalsContact CB-OD1 3.31Å; V157-D191 WeakPolarHBondContact CB-OD1 3.35Å; V157-D191 WeakPolarHBondContact CG2-OD1 3.43Å; V157-D191 PolarHBondContact N-OD1 2.79Å; V157-D191 WeakPolarHBondContact O-CA 3.23Å; A181-D191 WeakPolarHBondContact CA-O 3.48Å; A181-D191 WeakPolarHBondContact CB-O 3.21Å; F182-D191 HydrophobicContact CD2-CB 4.26Å; F182-D191 PolarHBondContact N-O 2.91Å; I188-D191 WeakPolarHBondContact CA-OD2 3.45Å; I188-D191 WeakPolarHBondContact O-CB 3.13Å; I188-D191 PolarHBondContact O-N 2.58Å; I188-D191 VanDerWaalsContact O-N 3.1Å | ||
| 192 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.9 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | I156 V157 L158 A159 A181 F194 E216 L217 S220 | I156-V192 HydrophobicContact CG2-CG2 4.29Å; V157-V192 PolarHBondContact O-N 3.07Å; L158-V192 HydrophobicContact CD2-CB 3.59Å; L158-V192 HydrophobicContact CD2-CG1 4.45Å; L158-V192 HydrophobicContact CD2-CG2 3.62Å; A159-V192 PolarHBondContact N-O 3.07Å; A181-V192 HydrophobicContact CB-CB 4.38Å; A181-V192 HydrophobicContact CB-CG1 4.38Å; A181-V192 HydrophobicContact CB-CG2 3.95Å; V192-F194 HydrophobicContact CB-CE2 4.1Å; V192-F194 HydrophobicContact CB-CZ 4.33Å; V192-F194 HydrophobicContact CG1-CD2 4.17Å; V192-F194 HydrophobicContact CG1-CE1 4.03Å; V192-F194 HydrophobicContact CG1-CE2 3.5Å; V192-F194 HydrophobicContact CG1-CZ 3.41Å; V192-F194 VanDerWaalsContact CG1-CZ 3.41Å; V192-E216 HydrophobicContact CB-CB 4.46Å; V192-E216 HydrophobicContact CG1-CB 3.4Å; V192-E216 HydrophobicContact CG1-CG 3.86Å; V192-E216 HydrophobicContact CG2-CB 4.25Å; V192-L217 HydrophobicContact CG2-CD2 4.05Å; V192-S220 WeakPolarHBondContact CG2-OG 3.29Å |
| 193 | H | 98.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.6 | 177.7 | -62.2 | 173.3 | 0 | 0 | 0 | 109.8 | A159 Y161 H165 D167 F171 A179 H180 F182 | A159-H193 CarbonylContact O-C 3.52Å; A159-H193 VanDerWaalsContact O-CA 3.32Å; A159-H193 WeakPolarHBondContact O-CA 3.48Å; Y161-H193 HydrophobicContact CD2-CB 4.06Å; Y161-H193 AromaticContact CD2-CD2 3.97Å; Y161-H193 AromaticContact CD2-CG 3.77Å; Y161-H193 AromaticContact CE2-CD2 3.55Å; Y161-H193 AromaticContact CE2-CE1 3.93Å; Y161-H193 AromaticContact CE2-CG 3.82Å; Y161-H193 AromaticContact CE2-NE2 3.62Å; H165-H193 AromaticContact CD2-CE1 3.91Å; H165-H193 AromaticContact CD2-ND1 3.31Å; H165-H193 PolarHBondContact CD2-ND1 3.12Å; H165-H193 VanDerWaalsContact CD2-ND1 3.31Å; H165-H193 AromaticContact NE2-CG 3.85Å; H165-H193 AromaticContact NE2-ND1 3.16Å; H165-H193 PolarHBondContact NE2-ND1 2.92Å; H165-H193 VanDerWaalsContact NE2-ND1 3.16Å; D167-H193 IonicContact OD2-CE1 3.56Å; D167-H193 PolarHBondContact OD2-CE1 2.95Å; D167-H193 VanDerWaalsContact OD2-CE1 3.3Å; D167-H193 IonicContact OD2-ND1 2.95Å; D167-H193 PolarHBondContact OD2-ND1 2.96Å; F171-H193 HydrophobicContact CE2-CB 4.17Å; F171-H193 HydrophobicContact CZ-CB 3.93Å; A179-H193 CarbonylContact C-O 3.57Å; A179-H193 WeakPolarHBondContact CA-O 3.47Å; A179-H193 WeakPolarHBondContact CB-O 3.23Å; H180-H193 PolarHBondContact N-O 3.02Å; H180-H193 AromaticContact NE2-CG 3.82Å; H180-H193 AromaticContact NE2-ND1 3.35Å; H180-H193 PolarHBondContact NE2-ND1 3.05Å; H180-H193 PolarHBondContact O-N 2.9Å; F182-H193 AromaticContact CE2-CE1 3.79Å; F182-H193 AromaticContact CE2-ND1 3.97Å |
| 194 | F | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.6 | 177.5 | -60.8 | -86.5 | 0 | 0 | 0 | 110.2 | F131 L158 A159 F160 Y161 A179 V192 L196 W200 L209 V212 A213 | F131-F194 HydrophobicContact CD1-CZ 4.47Å; F131-F194 HydrophobicContact CE1-CD2 4.48Å; F131-F194 HydrophobicContact CE1-CE1 4.3Å; F131-F194 AromaticContact CE1-CE2 3.62Å; F131-F194 HydrophobicContact CE1-CE2 3.62Å; F131-F194 AromaticContact CE1-CZ 3.5Å; F131-F194 HydrophobicContact CE1-CZ 3.5Å; F131-F194 HydrophobicContact CZ-CD2 4.19Å; F131-F194 AromaticContact CZ-CE2 3.61Å; F131-F194 HydrophobicContact CZ-CE2 3.61Å; F131-F194 HydrophobicContact CZ-CZ 4Å; L158-F194 HydrophobicContact CD2-CE2 4.34Å; A159-F194 WeakPolarHBondContact O-CD2 3.48Å; A159-F194 PolarHBondContact O-N 3.42Å; F160-F194 CarbonylContact C-O 3.56Å; F160-F194 VanDerWaalsContact CA-O 3.28Å; F160-F194 WeakPolarHBondContact CA-O 3.47Å; F160-F194 HydrophobicContact CD1-CB 3.43Å; F160-F194 VanDerWaalsContact CD1-CB 3.43Å; F160-F194 HydrophobicContact CD1-CD2 4.44Å; F160-F194 HydrophobicContact CD1-CG 4.17Å; F160-F194 HydrophobicContact CE1-CB 3.73Å; F160-F194 HydrophobicContact CE1-CD2 4.3Å; F160-F194 HydrophobicContact CE1-CG 4.04Å; F160-F194 HydrophobicContact CG-CB 4.09Å; F160-F194 HydrophobicContact CZ-CD2 4.41Å; Y161-F194 PolarHBondContact N-O 3.45Å; A179-F194 HydrophobicContact CB-CD1 3.77Å; A179-F194 HydrophobicContact CB-CE1 4.28Å; A179-F194 HydrophobicContact CB-CG 4.4Å; V192-F194 HydrophobicContact CB-CE2 4.1Å; V192-F194 HydrophobicContact CB-CZ 4.33Å; V192-F194 HydrophobicContact CG1-CD2 4.17Å; V192-F194 HydrophobicContact CG1-CE1 4.03Å; V192-F194 HydrophobicContact CG1-CE2 3.5Å; V192-F194 HydrophobicContact CG1-CZ 3.41Å; V192-F194 VanDerWaalsContact CG1-CZ 3.41Å; F194-L196 PolarHBondContact O-N 2.93Å; F194-W200 HydrophobicContact CB-CH2 4.37Å; F194-W200 HydrophobicContact CB-CZ2 3.74Å; F194-W200 AromaticContact CD1-CH2 3.79Å; F194-W200 HydrophobicContact CD1-CH2 3.79Å; F194-W200 HydrophobicContact CD1-CZ2 4.02Å; F194-W200 HydrophobicContact CD1-CZ3 4.36Å; F194-W200 HydrophobicContact CG-CZ2 4.36Å; F194-L209 HydrophobicContact CD1-CD1 3.99Å; F194-L209 HydrophobicContact CE1-CD1 3.98Å; F194-L209 HydrophobicContact CG-CD1 4.49Å; F194-L209 HydrophobicContact CZ-CD1 4.47Å; F194-V212 HydrophobicContact CD1-CG1 4.4Å; F194-V212 HydrophobicContact CE1-CG1 4.28Å; F194-A213 HydrophobicContact CE1-CB 3.91Å; F194-A213 HydrophobicContact CZ-CB 3.7Å |
| 195 | D | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.4 | 177.6 | -170.9 | -3.4 | 0 | 0 | 0 | 111.5 | F171 L178 D197 E198 W200 | F171-D195 HydrophobicContact CB-CB 4.18Å; F171-D195 WeakPolarHBondContact CB-OD2 3.44Å; F171-D195 HydrophobicContact CD1-CB 3.75Å; F171-D195 HydrophobicContact CD2-CB 3.85Å; F171-D195 HydrophobicContact CE1-CB 4.08Å; F171-D195 HydrophobicContact CE2-CB 4.16Å; F171-D195 HydrophobicContact CG-CB 3.66Å; F171-D195 HydrophobicContact CZ-CB 4.28Å; L178-D195 PolarHBondContact O-N 3.48Å; D195-D197 VanDerWaalsContact C-N 3.26Å; D195-D197 PolarHBondContact O-N 3.25Å; D195-D197 WeakPolarHBondContact OD1-CB 3.11Å; D195-D197 PolarHBondContact OD1-N 3.44Å; D195-E198 HydrophobicContact CB-CG 3.92Å; D195-E198 WeakPolarHBondContact O-CB 3.33Å; D195-E198 PolarHBondContact O-N 3.41Å; D195-W200 PolarHBondContact O-NE1 2.92Å |
| 196 | L | 96.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.9 | 176.4 | -80.4 | 175.1 | 0 | 0 | 0 | 114.1 | F160 Y161 R162 F194 | F160-L196 HydrophobicContact CB-CD1 4.08Å; F160-L196 HydrophobicContact CB-CD2 3.32Å; F160-L196 HydrophobicContact CB-CG 3.47Å; F160-L196 VanDerWaalsContact CB-CG 3.47Å; F160-L196 HydrophobicContact CD1-CD2 4.1Å; F160-L196 HydrophobicContact CG-CD2 3.98Å; Y161-L196 WeakPolarHBondContact O-CB 3.39Å; Y161-L196 PolarHBondContact O-N 3.39Å; R162-L196 HydrophobicContact CG-CB 3.52Å; R162-L196 HydrophobicContact CG-CD1 4.21Å; R162-L196 HydrophobicContact CG-CG 4.44Å; F194-L196 PolarHBondContact O-N 2.93Å |
| 197 | D | 96.2 | Very high | 94.4 | Very high | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.3 | 173.5 | -71.5 | -27.1 | 0 | 0 | 0 | 111.8 | R162 D195 | R162-D197 VanDerWaalsContact CD-OD1 3.26Å; R162-D197 WeakPolarHBondContact CD-OD1 3.31Å; R162-D197 IonicContact CZ-OD1 2.73Å; R162-D197 VanDerWaalsContact CZ-OD1 3.26Å; R162-D197 IonicContact NE-OD1 3.87Å; R162-D197 PolarHBondContact NE-OD1 2.92Å; R162-D197 VanDerWaalsContact NE-OD1 3.09Å; R162-D197 IonicContact NH1-OD1 3.64Å; R162-D197 IonicContact NH2-OD1 3.62Å; D195-D197 VanDerWaalsContact C-N 3.26Å; D195-D197 PolarHBondContact O-N 3.25Å; D195-D197 WeakPolarHBondContact OD1-CB 3.11Å; D195-D197 PolarHBondContact OD1-N 3.44Å |
| 198 | E | 96.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -82.1 | 143.9 | 173.6 | -58.5 | -64 | -174.8 | 0 | 0 | 113.6 | Y121 N175 Y176 L178 D195 W200 F207 | Y121-E198 WeakPolarHBondContact CD2-O 3.33Å; Y121-E198 WeakPolarHBondContact CE2-O 3.45Å; N175-E198 WeakPolarHBondContact CA-OE1 3.45Å; N175-E198 PolarHBondContact N-OE1 3.17Å; N175-E198 PolarHBondContact N-OE2 3.13Å; Y176-E198 PolarHBondContact N-OE1 3.01Å; L178-E198 HydrophobicContact CD2-CG 3.96Å; L178-E198 WeakPolarHBondContact CD2-OE1 3.17Å; D195-E198 HydrophobicContact CB-CG 3.92Å; D195-E198 WeakPolarHBondContact O-CB 3.33Å; D195-E198 PolarHBondContact O-N 3.41Å; E198-W200 HydrophobicContact CB-CZ2 4.18Å; E198-W200 VanDerWaalsContact O-CD1 3.24Å; E198-W200 PolarHBondContact O-N 3.47Å; E198-W200 VanDerWaalsContact O-N 3.09Å; E198-F207 HydrophobicContact CB-CD2 4.15Å; E198-F207 HydrophobicContact CG-CD2 4.43Å; E198-F207 VanDerWaalsContact OE2-CE2 3.24Å; E198-F207 WeakPolarHBondContact OE2-CE2 3.3Å |
| 199 | R | 94.2 | Very high | 94.8 | Very high | 132 Ų | 132 | 29.5 Ų | 29.5 | 50% | 0.498 | 15% | 0.151 | S | C | . | . | trans | -83.8 | 84.6 | 175.5 | -170.8 | 173.4 | -177.2 | -108 | -0.8 | 110.5 | E205 N206 | R199-E205 IonicContact NH1-OE2 3.57Å; R199-N206 PolarHBondContact NH1-ND2 3.04Å | ||
| 200 | W | 97.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.7 | 175.4 | -62.4 | 100.6 | 0 | 0 | 0 | 112.7 | T119 L122 F160 L178 F194 D195 E198 F207 L209 V212 | T119-W200 HydrophobicContact CG2-CB 4.28Å; L122-W200 HydrophobicContact CD1-CB 4.14Å; F160-W200 AromaticContact CD1-NE1 3.94Å; F160-W200 HydrophobicContact CE1-CD2 4.44Å; F160-W200 HydrophobicContact CE1-CG 4.35Å; F160-W200 AromaticContact CE1-NE1 3.97Å; L178-W200 HydrophobicContact CB-CH2 4.41Å; L178-W200 WeakPolarHBondContact O-CH2 3.44Å; L178-W200 VanDerWaalsContact O-CZ2 3.3Å; L178-W200 WeakPolarHBondContact O-CZ2 3.34Å; F194-W200 HydrophobicContact CB-CH2 4.37Å; F194-W200 HydrophobicContact CB-CZ2 3.74Å; F194-W200 AromaticContact CD1-CH2 3.79Å; F194-W200 HydrophobicContact CD1-CH2 3.79Å; F194-W200 HydrophobicContact CD1-CZ2 4.02Å; F194-W200 HydrophobicContact CD1-CZ3 4.36Å; F194-W200 HydrophobicContact CG-CZ2 4.36Å; D195-W200 PolarHBondContact O-NE1 2.92Å; E198-W200 HydrophobicContact CB-CZ2 4.18Å; E198-W200 VanDerWaalsContact O-CD1 3.24Å; E198-W200 PolarHBondContact O-N 3.47Å; E198-W200 VanDerWaalsContact O-N 3.09Å; W200-F207 HydrophobicContact CE3-CB 4.24Å; W200-F207 HydrophobicContact CZ3-CB 4.12Å; W200-L209 HydrophobicContact CD2-CD1 4.08Å; W200-L209 HydrophobicContact CE3-CB 4.06Å; W200-L209 HydrophobicContact CE3-CD1 3.74Å; W200-L209 HydrophobicContact CZ3-CD1 4.09Å; W200-V212 HydrophobicContact CH2-CB 4.22Å; W200-V212 HydrophobicContact CH2-CG1 3.93Å; W200-V212 HydrophobicContact CH2-CG2 4.38Å; W200-V212 HydrophobicContact CZ3-CB 3.84Å; W200-V212 HydrophobicContact CZ3-CG1 4.08Å; W200-V212 HydrophobicContact CZ3-CG2 3.88Å |
| 201 | T | 96.2 | Very high | 95 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 168.2 | 176.8 | 76.9 | 0 | 0 | 0 | 0 | 111.4 | T203 E205 N206 F207 N208 L209 | T201-T203 PolarHBondContact OG1-N 3.35Å; T201-T203 PolarHBondContact OG1-O 2.98Å; T201-E205 WeakPolarHBondContact CB-O 3.33Å; T201-E205 HydrophobicContact CG2-CB 4.49Å; T201-E205 WeakPolarHBondContact CG2-O 3.27Å; T201-E205 PolarHBondContact OG1-O 3.32Å; T201-N206 HydrophobicContact CG2-CB 4.31Å; T201-F207 PolarHBondContact N-O 2.91Å; T201-N208 WeakPolarHBondContact O-CA 3.46Å; T201-L209 PolarHBondContact O-N 2.91Å |
| 202 | D | 94.2 | Very high | 95 | Very high | 89 Ų | 89 | 30.2 Ų | 30.2 | 48% | 0.476 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -108.3 | 16.3 | 169 | 61.4 | -20.9 | 0 | 0 | 0 | 112.1 | L122 V126 N208 | L122-D202 HydrophobicContact CD2-CB 4.43Å; V126-D202 HydrophobicContact CG1-CB 3.63Å; D202-N208 VanDerWaalsContact C-ND2 3.33Å |
| 203 | T | 90.6 | Very high | 95 | Very high | 58 Ų | 58 | 30.3 Ų | 30.3 | 36% | 0.356 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -122.3 | -173.9 | -178.5 | 67 | 0 | 0 | 0 | 0 | 110.6 | T201 E205 N208 | T201-T203 PolarHBondContact OG1-N 3.35Å; T201-T203 PolarHBondContact OG1-O 2.98Å; T203-E205 PolarHBondContact O-N 3.22Å; T203-E205 PolarHBondContact OG1-N 2.93Å; T203-N208 PolarHBondContact N-ND2 3.01Å; T203-N208 WeakPolarHBondContact O-CB 3.41Å; T203-N208 PolarHBondContact O-ND2 3.45Å |
| 204 | S | 85.2 | Confident | 95 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 22% | 0.217 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -73.9 | -6.2 | 170.9 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | Y240 N321 | S204-Y240 WeakPolarHBondContact CB-O 3.37Å; S204-N321 PolarHBondContact OG-OD1 3.27Å |
| 205 | E | 83.9 | Confident | 95 | Very high | 101 Ų | 101 | 30.4 Ų | 30.4 | 47% | 0.472 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -79.2 | 136.2 | -179.9 | -63 | -169.9 | 171.8 | 0 | 0 | 112.5 | R199 T201 T203 F207 | R199-E205 IonicContact NH1-OE2 3.57Å; T201-E205 WeakPolarHBondContact CB-O 3.33Å; T201-E205 HydrophobicContact CG2-CB 4.49Å; T201-E205 WeakPolarHBondContact CG2-O 3.27Å; T201-E205 PolarHBondContact OG1-O 3.32Å; T203-E205 PolarHBondContact O-N 3.22Å; T203-E205 PolarHBondContact OG1-N 2.93Å; E205-F207 PolarHBondContact O-N 3.41Å |
| 206 | N | 86.8 | Confident | 95 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 33% | 0.326 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 53.8 | -122.1 | -179.7 | -49.7 | -68.4 | 0 | 0 | 0 | 111.5 | R199 T201 Y237 | R199-N206 PolarHBondContact NH1-ND2 3.04Å; T201-N206 HydrophobicContact CG2-CB 4.31Å; N206-Y237 VanDerWaalsContact O-CE1 3.26Å; N206-Y237 WeakPolarHBondContact O-CE1 3.33Å; N206-Y237 PolarHBondContact O-OH 3.45Å |
| 207 | F | 94.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110.8 | -175.9 | -53.8 | -62.2 | 0 | 0 | 0 | 110.7 | P87 L178 E198 W200 T201 E205 L209 Y237 | P87-F207 HydrophobicContact CB-CE1 3.45Å; P87-F207 VanDerWaalsContact CB-CE1 3.45Å; P87-F207 HydrophobicContact CB-CZ 3.59Å; P87-F207 HydrophobicContact CG-CE1 3.63Å; P87-F207 HydrophobicContact CG-CZ 3.53Å; L178-F207 HydrophobicContact CD1-CD1 3.44Å; L178-F207 VanDerWaalsContact CD1-CD1 3.44Å; L178-F207 HydrophobicContact CD1-CE1 3.75Å; L178-F207 HydrophobicContact CD1-CG 4.06Å; L178-F207 HydrophobicContact CD2-CD1 3.61Å; L178-F207 HydrophobicContact CD2-CD2 3.62Å; L178-F207 HydrophobicContact CD2-CE1 3.57Å; L178-F207 HydrophobicContact CD2-CE2 3.56Å; L178-F207 HydrophobicContact CD2-CG 3.65Å; L178-F207 HydrophobicContact CD2-CZ 3.54Å; L178-F207 HydrophobicContact CG-CD1 4.18Å; L178-F207 HydrophobicContact CG-CE1 4.27Å; L178-F207 HydrophobicContact CG-CG 4.49Å; E198-F207 HydrophobicContact CB-CD2 4.15Å; E198-F207 HydrophobicContact CG-CD2 4.43Å; E198-F207 VanDerWaalsContact OE2-CE2 3.24Å; E198-F207 WeakPolarHBondContact OE2-CE2 3.3Å; W200-F207 HydrophobicContact CE3-CB 4.24Å; W200-F207 HydrophobicContact CZ3-CB 4.12Å; T201-F207 PolarHBondContact N-O 2.91Å; E205-F207 PolarHBondContact O-N 3.41Å; F207-L209 PolarHBondContact O-N 3.5Å; F207-Y237 AromaticContact CD1-CD1 3.77Å; F207-Y237 HydrophobicContact CD1-CD1 3.77Å; F207-Y237 HydrophobicContact CD1-CD2 4.26Å; F207-Y237 AromaticContact CD1-CE1 3.82Å; F207-Y237 HydrophobicContact CD1-CE1 3.82Å; F207-Y237 HydrophobicContact CD1-CE2 4.31Å; F207-Y237 AromaticContact CD1-CG 3.99Å; F207-Y237 HydrophobicContact CD1-CG 3.99Å; F207-Y237 AromaticContact CE1-CD1 3.9Å; F207-Y237 HydrophobicContact CE1-CD1 3.9Å; F207-Y237 HydrophobicContact CE1-CE1 4.27Å; F207-Y237 HydrophobicContact CE1-CG 4.25Å |
| 208 | N | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 119.7 | 177.3 | -175.9 | -82.7 | 0 | 0 | 0 | 109.8 | T201 D202 T203 F210 Y211 V212 Y237 Y240 | T201-N208 WeakPolarHBondContact O-CA 3.46Å; D202-N208 VanDerWaalsContact C-ND2 3.33Å; T203-N208 PolarHBondContact N-ND2 3.01Å; T203-N208 WeakPolarHBondContact O-CB 3.41Å; T203-N208 PolarHBondContact O-ND2 3.45Å; N208-F210 PolarHBondContact O-N 3.06Å; N208-F210 WeakPolarHBondContact OD1-CB 3.39Å; N208-F210 PolarHBondContact OD1-N 3.48Å; N208-Y211 PolarHBondContact O-N 2.87Å; N208-Y211 PolarHBondContact OD1-N 2.65Å; N208-V212 PolarHBondContact O-N 3.11Å; N208-V212 VanDerWaalsContact O-N 3.1Å; N208-Y237 PolarHBondContact N-OH 2.88Å; N208-Y240 VanDerWaalsContact CB-CB 3.47Å; N208-Y240 HydrophobicContact CB-CD1 4.07Å; N208-Y240 HydrophobicContact CB-CG 3.8Å; N208-Y240 VanDerWaalsContact ND2-CD1 3.3Å; N208-Y240 WeakPolarHBondContact ND2-CD1 3.37Å |
| 209 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | -174.7 | 179.7 | 62.6 | 0 | 0 | 0 | 112.3 | L122 V127 F131 F160 F194 W200 T201 F207 Y211 A213 | L122-L209 HydrophobicContact CD1-CB 4.17Å; L122-L209 HydrophobicContact CD1-CD2 3.99Å; V127-L209 HydrophobicContact CB-CD2 4.21Å; V127-L209 HydrophobicContact CG1-CD2 4.06Å; V127-L209 HydrophobicContact CG2-CD2 3.95Å; F131-L209 HydrophobicContact CE1-CD1 3.82Å; F131-L209 HydrophobicContact CE1-CD2 4.16Å; F131-L209 HydrophobicContact CE1-CG 3.99Å; F131-L209 HydrophobicContact CZ-CD1 4.2Å; F131-L209 HydrophobicContact CZ-CD2 4.27Å; F160-L209 HydrophobicContact CE1-CD1 3.96Å; F160-L209 HydrophobicContact CZ-CD1 3.96Å; F160-L209 HydrophobicContact CZ-CD2 4.04Å; F194-L209 HydrophobicContact CD1-CD1 3.99Å; F194-L209 HydrophobicContact CE1-CD1 3.98Å; F194-L209 HydrophobicContact CG-CD1 4.49Å; F194-L209 HydrophobicContact CZ-CD1 4.47Å; W200-L209 HydrophobicContact CD2-CD1 4.08Å; W200-L209 HydrophobicContact CE3-CB 4.06Å; W200-L209 HydrophobicContact CE3-CD1 3.74Å; W200-L209 HydrophobicContact CZ3-CD1 4.09Å; T201-L209 PolarHBondContact O-N 2.91Å; F207-L209 PolarHBondContact O-N 3.5Å; L209-Y211 VanDerWaalsContact C-N 3.33Å; L209-Y211 PolarHBondContact O-N 3.26Å; L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 3.01Å |
| 210 | F | 98.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 11% | 0.114 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 176.5 | 155.3 | -102.2 | 0 | 0 | 0 | 111.2 | K133 A134 V137 N208 A213 T214 Y240 F244 | K133-F210 HydrophobicContact CB-CD2 3.57Å; K133-F210 HydrophobicContact CB-CE2 3.69Å; A134-F210 HydrophobicContact CB-CD2 4.21Å; V137-F210 HydrophobicContact CG2-CE2 3.84Å; V137-F210 HydrophobicContact CG2-CZ 3.85Å; N208-F210 PolarHBondContact O-N 3.06Å; N208-F210 WeakPolarHBondContact OD1-CB 3.39Å; N208-F210 PolarHBondContact OD1-N 3.48Å; F210-A213 PolarHBondContact O-N 3.19Å; F210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; F210-T214 WeakPolarHBondContact O-CB 3.36Å; F210-T214 PolarHBondContact O-N 2.93Å; F210-T214 PolarHBondContact O-OG1 3.29Å; F210-Y240 HydrophobicContact CD1-CD2 4.23Å; F210-Y240 AromaticContact CD1-CE2 3.82Å; F210-Y240 HydrophobicContact CD1-CE2 3.82Å; F210-Y240 HydrophobicContact CE1-CD2 4.4Å; F210-Y240 AromaticContact CE1-CE2 3.85Å; F210-Y240 HydrophobicContact CE1-CE2 3.85Å; F210-F244 AromaticContact CE1-CD1 3.65Å; F210-F244 HydrophobicContact CE1-CD1 3.65Å; F210-F244 HydrophobicContact CE1-CE1 4.07Å; F210-F244 AromaticContact CZ-CD1 3.77Å; F210-F244 HydrophobicContact CZ-CD1 3.77Å; F210-F244 AromaticContact CZ-CE1 3.84Å; F210-F244 HydrophobicContact CZ-CE1 3.84Å |
| 211 | Y | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 20 Ų | 20 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.7 | -48.1 | -177.5 | -166.5 | -107.7 | 0 | 0 | 0 | 112.5 | N208 L209 T214 H215 L232 Y237 T238 Y240 F244 | N208-Y211 PolarHBondContact O-N 2.87Å; N208-Y211 PolarHBondContact OD1-N 2.65Å; L209-Y211 VanDerWaalsContact C-N 3.33Å; L209-Y211 PolarHBondContact O-N 3.26Å; Y211-T214 PolarHBondContact O-N 2.95Å; Y211-H215 PolarHBondContact O-N 2.68Å; Y211-L232 HydrophobicContact CD2-CD1 3.98Å; Y211-L232 HydrophobicContact CE1-CD1 4.26Å; Y211-L232 HydrophobicContact CE2-CD1 3.62Å; Y211-L232 HydrophobicContact CG-CD1 4.45Å; Y211-Y237 AromaticContact CD1-CD2 3.95Å; Y211-Y237 HydrophobicContact CD1-CD2 3.95Å; Y211-Y237 AromaticContact CD1-CE2 3.56Å; Y211-Y237 HydrophobicContact CD1-CE2 3.56Å; Y211-Y237 HydrophobicContact CE1-CD2 4.32Å; Y211-Y237 HydrophobicContact CE1-CE2 4.26Å; Y211-Y237 HydrophobicContact CG-CE2 4.48Å; Y211-T238 WeakPolarHBondContact CE1-OG1 3.15Å; Y211-T238 PolarHBondContact OH-OG1 3.17Å; Y211-Y240 AromaticContact CD2-CD2 3.96Å; Y211-Y240 HydrophobicContact CD2-CD2 3.96Å; Y211-Y240 HydrophobicContact CG-CD2 4.27Å; Y211-F244 HydrophobicContact CD2-CD2 4.02Å; Y211-F244 HydrophobicContact CD2-CE2 4.13Å; Y211-F244 HydrophobicContact CD2-CG 4.29Å; Y211-F244 AromaticContact CE2-CD2 3.48Å; Y211-F244 HydrophobicContact CE2-CD2 3.48Å; Y211-F244 VanDerWaalsContact CE2-CD2 3.48Å; Y211-F244 AromaticContact CE2-CE2 3.52Å; Y211-F244 HydrophobicContact CE2-CE2 3.52Å; Y211-F244 HydrophobicContact CE2-CG 4.19Å; Y211-F244 HydrophobicContact CE2-CZ 4.27Å |
| 212 | V | 98.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | L178 A179 F194 W200 N208 T214 H215 E216 Y237 | L178-V212 HydrophobicContact CB-CG1 4.4Å; L178-V212 HydrophobicContact CD1-CG2 4.13Å; A179-V212 HydrophobicContact CB-CG1 3.68Å; F194-V212 HydrophobicContact CD1-CG1 4.4Å; F194-V212 HydrophobicContact CE1-CG1 4.28Å; W200-V212 HydrophobicContact CH2-CB 4.22Å; W200-V212 HydrophobicContact CH2-CG1 3.93Å; W200-V212 HydrophobicContact CH2-CG2 4.38Å; W200-V212 HydrophobicContact CZ3-CB 3.84Å; W200-V212 HydrophobicContact CZ3-CG1 4.08Å; W200-V212 HydrophobicContact CZ3-CG2 3.88Å; N208-V212 PolarHBondContact O-N 3.11Å; N208-V212 VanDerWaalsContact O-N 3.1Å; V212-T214 VanDerWaalsContact C-N 3.27Å; V212-T214 PolarHBondContact O-N 2.95Å; V212-H215 WeakPolarHBondContact O-CB 3.26Å; V212-H215 PolarHBondContact O-N 3.35Å; V212-H215 VanDerWaalsContact O-N 3.09Å; V212-E216 HydrophobicContact CG1-CG 4.16Å; V212-E216 WeakPolarHBondContact O-CG 3.36Å; V212-E216 PolarHBondContact O-N 2.87Å; V212-Y237 HydrophobicContact CG2-CD2 3.87Å; V212-Y237 HydrophobicContact CG2-CE2 3.8Å |
| 213 | A | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F131 A134 F194 L209 F210 H215 E216 L217 | F131-A213 HydrophobicContact CD1-CB 3.68Å; F131-A213 HydrophobicContact CE1-CB 3.78Å; A134-A213 HydrophobicContact CB-CB 4.04Å; F194-A213 HydrophobicContact CE1-CB 3.91Å; F194-A213 HydrophobicContact CZ-CB 3.7Å; L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 3.01Å; F210-A213 PolarHBondContact O-N 3.19Å; A213-H215 VanDerWaalsContact C-N 3.32Å; A213-H215 PolarHBondContact O-N 3.01Å; A213-E216 PolarHBondContact O-N 3.37Å; A213-L217 VanDerWaalsContact O-CB 3.3Å; A213-L217 WeakPolarHBondContact O-CB 3.33Å; A213-L217 WeakPolarHBondContact O-CG 3.24Å; A213-L217 PolarHBondContact O-N 3.18Å |
| 214 | T | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.5 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | A134 V137 W138 F210 Y211 V212 G218 L232 | A134-T214 WeakPolarHBondContact CA-OG1 3.48Å; A134-T214 VanDerWaalsContact CB-OG1 3.3Å; A134-T214 WeakPolarHBondContact CB-OG1 3.27Å; V137-T214 HydrophobicContact CB-CG2 3.74Å; V137-T214 HydrophobicContact CG1-CG2 3.71Å; V137-T214 HydrophobicContact CG2-CG2 4Å; W138-T214 WeakPolarHBondContact CZ2-O 3.23Å; W138-T214 PolarHBondContact NE1-O 2.94Å; F210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; F210-T214 WeakPolarHBondContact O-CB 3.36Å; F210-T214 PolarHBondContact O-N 2.93Å; F210-T214 PolarHBondContact O-OG1 3.29Å; Y211-T214 PolarHBondContact O-N 2.95Å; V212-T214 VanDerWaalsContact C-N 3.27Å; V212-T214 PolarHBondContact O-N 2.95Å; T214-G218 PolarHBondContact O-N 3.05Å; T214-L232 HydrophobicContact CG2-CD2 3.36Å |
| 215 | H | 98.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 14.3 Ų | 14.3 | 6% | 0.06 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.5 | -53.4 | 174.5 | 177.4 | 107.9 | 0 | 0 | 0 | 111.3 | C89 Y211 V212 A213 L217 G218 H219 H225 L232 M233 F234 | C89-H215 WeakPolarHBondContact CB-NE2 3.37Å; Y211-H215 PolarHBondContact O-N 2.68Å; V212-H215 WeakPolarHBondContact O-CB 3.26Å; V212-H215 PolarHBondContact O-N 3.35Å; V212-H215 VanDerWaalsContact O-N 3.09Å; A213-H215 VanDerWaalsContact C-N 3.32Å; A213-H215 PolarHBondContact O-N 3.01Å; H215-L217 VanDerWaalsContact C-N 3.29Å; H215-L217 PolarHBondContact O-N 2.94Å; H215-G218 WeakPolarHBondContact O-CA 3.49Å; H215-G218 PolarHBondContact O-N 2.59Å; H215-H219 AromaticContact CD2-NE2 3.93Å; H215-H219 AromaticContact NE2-CD2 3.94Å; H215-H219 AromaticContact NE2-NE2 3.37Å; H215-H219 PolarHBondContact NE2-NE2 3.11Å; H215-H225 AromaticContact CE1-CD2 3.64Å; H215-H225 AromaticContact CE1-NE2 3.75Å; H215-H225 AromaticContact NE2-CD2 3.55Å; H215-H225 AromaticContact NE2-NE2 3.3Å; H215-H225 PolarHBondContact NE2-NE2 3.13Å; H215-L232 HydrophobicContact CB-CD1 4.2Å; H215-L232 HydrophobicContact CB-CG 4.18Å; H215-L232 PolarHBondContact ND1-O 3.32Å; H215-M233 WeakPolarHBondContact O-CE 3.48Å; H215-M233 VanDerWaalsContact O-SD 3.36Å; H215-F234 PolarHBondContact CE1-O 3.39Å; H215-F234 VanDerWaalsContact CE1-O 3.23Å |
| 216 | E | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | -177 | -61.4 | -49.4 | 145.7 | 0 | 0 | 112.2 | C89 A179 H180 A181 V192 V212 A213 G218 H219 S220 | C89-E216 PolarHBondContact SG-OE1 2.85Å; C89-E216 PolarHBondContact SG-OE2 3.04Å; A179-E216 HydrophobicContact CB-CG 3.61Å; H180-E216 VanDerWaalsContact C-OE2 3.32Å; H180-E216 VanDerWaalsContact CA-OE2 3.27Å; H180-E216 WeakPolarHBondContact CA-OE2 3.43Å; A181-E216 HydrophobicContact CB-CB 3.98Å; A181-E216 VanDerWaalsContact CB-O 3.32Å; A181-E216 WeakPolarHBondContact CB-O 3.45Å; A181-E216 PolarHBondContact N-OE2 2.86Å; V192-E216 HydrophobicContact CB-CB 4.46Å; V192-E216 HydrophobicContact CG1-CB 3.4Å; V192-E216 HydrophobicContact CG1-CG 3.86Å; V192-E216 HydrophobicContact CG2-CB 4.25Å; V212-E216 HydrophobicContact CG1-CG 4.16Å; V212-E216 WeakPolarHBondContact O-CG 3.36Å; V212-E216 PolarHBondContact O-N 2.87Å; A213-E216 PolarHBondContact O-N 3.37Å; E216-G218 PolarHBondContact O-N 2.92Å; E216-H219 WeakPolarHBondContact O-CA 3.42Å; E216-H219 VanDerWaalsContact O-CB 3.31Å; E216-H219 WeakPolarHBondContact O-CB 3.5Å; E216-H219 PolarHBondContact O-N 2.99Å; E216-H219 IonicContact OE2-CD2 3.78Å; E216-S220 PolarHBondContact O-N 3.39Å; E216-S220 PolarHBondContact O-OG 3.14Å |
| 217 | L | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.2 | -27.8 | 172.4 | -73.8 | 175.6 | 0 | 0 | 0 | 112.5 | A134 F135 I156 L158 V192 A213 H215 H219 S220 L221 | A134-L217 HydrophobicContact CB-CD1 3.73Å; F135-L217 HydrophobicContact CD1-CD1 3.74Å; F135-L217 HydrophobicContact CD1-CD2 4.2Å; F135-L217 HydrophobicContact CD2-CD1 4.11Å; F135-L217 HydrophobicContact CE1-CD1 3.79Å; F135-L217 HydrophobicContact CE1-CD2 3.41Å; F135-L217 VanDerWaalsContact CE1-CD2 3.41Å; F135-L217 HydrophobicContact CE1-CG 4.22Å; F135-L217 HydrophobicContact CE2-CD1 4.12Å; F135-L217 HydrophobicContact CE2-CD2 4.33Å; F135-L217 HydrophobicContact CG-CD1 3.92Å; F135-L217 HydrophobicContact CZ-CD1 3.97Å; F135-L217 HydrophobicContact CZ-CD2 3.49Å; F135-L217 VanDerWaalsContact CZ-CD2 3.49Å; F135-L217 HydrophobicContact CZ-CG 4.4Å; I156-L217 HydrophobicContact CD1-CD2 4.35Å; I156-L217 HydrophobicContact CG2-CD2 4.04Å; L158-L217 HydrophobicContact CD2-CD2 4.29Å; V192-L217 HydrophobicContact CG2-CD2 4.05Å; A213-L217 VanDerWaalsContact O-CB 3.3Å; A213-L217 WeakPolarHBondContact O-CB 3.33Å; A213-L217 WeakPolarHBondContact O-CG 3.24Å; A213-L217 PolarHBondContact O-N 3.18Å; H215-L217 VanDerWaalsContact C-N 3.29Å; H215-L217 PolarHBondContact O-N 2.94Å; L217-H219 VanDerWaalsContact C-N 3.28Å; L217-H219 PolarHBondContact O-N 2.75Å; L217-S220 PolarHBondContact O-N 2.63Å; L217-L221 WeakPolarHBondContact O-CB 3.4Å; L217-L221 WeakPolarHBondContact O-CG 3.22Å; L217-L221 PolarHBondContact O-N 3.13Å |
| 218 | G | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T214 H215 E216 L221 G222 L223 | T214-G218 PolarHBondContact O-N 3.05Å; H215-G218 WeakPolarHBondContact O-CA 3.49Å; H215-G218 PolarHBondContact O-N 2.59Å; E216-G218 PolarHBondContact O-N 2.92Å; G218-L221 CarbonylContact O-C 3.54Å; G218-L221 PolarHBondContact O-N 3.42Å; G218-G222 PolarHBondContact O-N 3.08Å; G218-L223 WeakPolarHBondContact O-CA 3.37Å; G218-L223 VanDerWaalsContact O-CB 3.23Å; G218-L223 WeakPolarHBondContact O-CB 3.22Å; G218-L223 PolarHBondContact O-N 2.82Å |
| 219 | H | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | 172.5 | -67 | -47.4 | 0 | 0 | 0 | 112.6 | A181 H215 E216 L217 L221 G222 L223 H225 M233 | A181-H219 HydrophobicContact CB-CB 3.88Å; H215-H219 AromaticContact CD2-NE2 3.93Å; H215-H219 AromaticContact NE2-CD2 3.94Å; H215-H219 AromaticContact NE2-NE2 3.37Å; H215-H219 PolarHBondContact NE2-NE2 3.11Å; E216-H219 WeakPolarHBondContact O-CA 3.42Å; E216-H219 VanDerWaalsContact O-CB 3.31Å; E216-H219 WeakPolarHBondContact O-CB 3.5Å; E216-H219 PolarHBondContact O-N 2.99Å; E216-H219 IonicContact OE2-CD2 3.78Å; L217-H219 VanDerWaalsContact C-N 3.28Å; L217-H219 PolarHBondContact O-N 2.75Å; H219-L221 PolarHBondContact O-N 2.88Å; H219-G222 PolarHBondContact O-N 3.47Å; H219-L223 PolarHBondContact ND1-O 2.81Å; H219-H225 AromaticContact CE1-CD2 3.56Å; H219-H225 AromaticContact CE1-NE2 3.74Å; H219-H225 AromaticContact NE2-CD2 3.48Å; H219-H225 PolarHBondContact NE2-CD2 3.27Å; H219-H225 AromaticContact NE2-NE2 3.24Å; H219-H225 PolarHBondContact NE2-NE2 3.1Å; H219-M233 WeakPolarHBondContact CE1-CE 3.43Å |
| 220 | S | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.3 | -21 | 173.7 | -55.9 | 0 | 0 | 0 | 0 | 113.2 | W106 F182 P184 G190 V192 E216 L217 | W106-S220 PolarHBondContact NE1-O 2.94Å; F182-S220 WeakPolarHBondContact O-CA 3.45Å; P184-S220 WeakPolarHBondContact CG-O 3.22Å; G190-S220 WeakPolarHBondContact O-CB 3.45Å; G190-S220 PolarHBondContact O-OG 2.87Å; V192-S220 WeakPolarHBondContact CG2-OG 3.29Å; E216-S220 PolarHBondContact O-N 3.39Å; E216-S220 PolarHBondContact O-OG 3.14Å; L217-S220 PolarHBondContact O-N 2.63Å |
| 221 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -1.2 | 177.1 | -66.3 | 176 | 0 | 0 | 0 | 114 | L111 W138 L144 F146 L217 G218 H219 I254 Y258 | L111-L221 HydrophobicContact CD1-CD2 3.69Å; W138-L221 HydrophobicContact CB-CD1 3.67Å; W138-L221 HydrophobicContact CD2-CD1 4.11Å; W138-L221 HydrophobicContact CG-CD1 3.6Å; L144-L221 HydrophobicContact CD1-CD1 3.99Å; L144-L221 HydrophobicContact CD1-CD2 3.71Å; L144-L221 HydrophobicContact CD1-CG 4.4Å; F146-L221 HydrophobicContact CE1-CD2 4.01Å; F146-L221 HydrophobicContact CZ-CD1 4.09Å; F146-L221 HydrophobicContact CZ-CD2 3.95Å; L217-L221 WeakPolarHBondContact O-CB 3.4Å; L217-L221 WeakPolarHBondContact O-CG 3.22Å; L217-L221 PolarHBondContact O-N 3.13Å; G218-L221 CarbonylContact O-C 3.54Å; G218-L221 PolarHBondContact O-N 3.42Å; H219-L221 PolarHBondContact O-N 2.88Å; L221-I254 HydrophobicContact CB-CD1 3.85Å; L221-I254 HydrophobicContact CD1-CD1 4.21Å; L221-Y258 HydrophobicContact CB-CE2 4.23Å; L221-Y258 WeakPolarHBondContact O-CE2 3.44Å; L221-Y258 VanDerWaalsContact O-CZ 3.29Å; L221-Y258 PolarHBondContact O-OH 2.92Å |
| 222 | G | 95.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 10.8 Ų | 10.8 | 5% | 0.052 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.9 | 1.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P104 G218 H219 | P104-G222 WeakPolarHBondContact O-CA 3.41Å; G218-G222 PolarHBondContact O-N 3.08Å; H219-G222 PolarHBondContact O-N 3.47Å |
| 223 | L | 95.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | trans | -77.4 | 153.4 | 175 | -59.3 | 179.2 | 0 | 0 | 0 | 111 | W138 Q183 G218 H219 M233 R253 I254 L257 | W138-L223 HydrophobicContact CH2-CD1 3.39Å; W138-L223 HydrophobicContact CZ2-CD1 4.18Å; W138-L223 HydrophobicContact CZ3-CD1 3.65Å; Q183-L223 PolarHBondContact NE2-O 2.97Å; G218-L223 WeakPolarHBondContact O-CA 3.37Å; G218-L223 VanDerWaalsContact O-CB 3.23Å; G218-L223 WeakPolarHBondContact O-CB 3.22Å; G218-L223 PolarHBondContact O-N 2.82Å; H219-L223 PolarHBondContact ND1-O 2.81Å; L223-M233 HydrophobicContact CB-CE 4.08Å; L223-M233 HydrophobicContact CB-CG 4.29Å; L223-M233 HydrophobicContact CB-SD 4.39Å; L223-M233 HydrophobicContact CD1-CG 3.88Å; L223-M233 HydrophobicContact CD1-SD 4.21Å; L223-R253 HydrophobicContact CD2-CB 3.84Å; L223-I254 HydrophobicContact CD1-CB 4.23Å; L223-I254 HydrophobicContact CD1-CD1 4.03Å; L223-I254 HydrophobicContact CD2-CB 4.35Å; L223-I254 HydrophobicContact CD2-CD1 4.16Å; L223-I254 HydrophobicContact CG-CD1 3.92Å; L223-L257 HydrophobicContact CD2-CD1 3.93Å | ||
| 224 | T | 93.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 10.9 Ų | 10.9 | 26% | 0.258 | 7% | 0.065 | S | C | . | . | trans | -113.8 | 168.8 | 170.7 | 62.4 | 0 | 0 | 0 | 0 | 109.5 | T95 S226 R253 | T95-T224 HydrophobicContact CG2-CG2 3.79Å; T224-S226 PolarHBondContact O-N 3.42Å; T224-R253 PolarHBondContact O-NH1 3.26Å; T224-R253 PolarHBondContact O-NH2 3.44Å; T224-R253 PolarHBondContact OG1-NH2 3.34Å | ||
| 225 | H | 95.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 10.9 Ų | 10.9 | 8% | 0.079 | 7% | 0.066 | C | C | . | . | trans | -55 | 143.4 | 175.4 | -70.4 | 148.4 | 0 | 0 | 0 | 112.7 | R88 V91 D93 H215 H219 M233 P235 | R88-H225 PolarHBondContact NH2-CE1 3.22Å; R88-H225 VanDerWaalsContact NH2-CE1 3.29Å; V91-H225 PolarHBondContact O-CE1 3.38Å; V91-H225 VanDerWaalsContact O-CE1 3.29Å; D93-H225 IonicContact OD1-CE1 2.67Å; D93-H225 PolarHBondContact OD1-CE1 3.34Å; D93-H225 IonicContact OD1-CG 2.8Å; D93-H225 IonicContact OD1-ND1 3.5Å; D93-H225 PolarHBondContact OD1-ND1 2.9Å; H215-H225 AromaticContact CE1-CD2 3.64Å; H215-H225 AromaticContact CE1-NE2 3.75Å; H215-H225 AromaticContact NE2-CD2 3.55Å; H215-H225 AromaticContact NE2-NE2 3.3Å; H215-H225 PolarHBondContact NE2-NE2 3.13Å; H219-H225 AromaticContact CE1-CD2 3.56Å; H219-H225 AromaticContact CE1-NE2 3.74Å; H219-H225 AromaticContact NE2-CD2 3.48Å; H219-H225 PolarHBondContact NE2-CD2 3.27Å; H219-H225 AromaticContact NE2-NE2 3.24Å; H219-H225 PolarHBondContact NE2-NE2 3.1Å; H225-M233 CarbonylContact C-O 3.56Å; H225-M233 WeakPolarHBondContact CA-O 3.23Å; H225-M233 PolarHBondContact CD2-O 3.22Å; H225-P235 HydrophobicContact CB-CG 3.82Å | ||
| 226 | S | 94.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | trans | -94.4 | 152.4 | 171.8 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | T224 D228 M233 P235 E249 | T224-S226 PolarHBondContact O-N 3.42Å; S226-D228 WeakPolarHBondContact OG-CB 3.44Å; S226-D228 PolarHBondContact OG-N 2.91Å; S226-M233 PolarHBondContact N-O 2.77Å; S226-P235 WeakPolarHBondContact O-CD 3.44Å; S226-E249 WeakPolarHBondContact CB-OE1 3.46Å; S226-E249 VanDerWaalsContact OG-CD 3.24Å; S226-E249 PolarHBondContact OG-OE1 3.37Å; S226-E249 PolarHBondContact OG-OE2 2.96Å | ||
| 227 | S | 93.3 | Very high | 95.7 | Very high | 76 Ų | 76 | 10.9 Ų | 10.9 | 53% | 0.531 | 7% | 0.066 | S | C | . | . | S | Bend | trans | -86.2 | -10 | 165.9 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | L67 I229 | L67-S227 WeakPolarHBondContact O-CA 3.32Å; L67-S227 WeakPolarHBondContact O-CB 3.19Å; S227-I229 PolarHBondContact O-N 3.25Å |
| 228 | D | 93.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 11.1 Ų | 11.1 | 14% | 0.139 | 7% | 0.067 | C | C | . | . | trans | -76.5 | 114.5 | 174.7 | -179.6 | 1.4 | 0 | 0 | 0 | 109.6 | S226 G230 A231 F234 N247 E249 T272 | S226-D228 WeakPolarHBondContact OG-CB 3.44Å; S226-D228 PolarHBondContact OG-N 2.91Å; D228-G230 PolarHBondContact O-N 3.11Å; D228-G230 VanDerWaalsContact O-N 3.14Å; D228-G230 PolarHBondContact OD1-N 2.86Å; D228-A231 HydrophobicContact CB-CB 4.08Å; D228-A231 VanDerWaalsContact O-CB 3.28Å; D228-A231 WeakPolarHBondContact O-CB 3.49Å; D228-A231 PolarHBondContact O-N 3.37Å; D228-F234 WeakPolarHBondContact O-CB 3.38Å; D228-F234 WeakPolarHBondContact O-CD2 3.44Å; D228-N247 PolarHBondContact OD2-ND2 2.68Å; D228-E249 WeakPolarHBondContact CB-OE2 3.49Å; D228-T272 VanDerWaalsContact OD1-CB 3.22Å; D228-T272 WeakPolarHBondContact OD1-CB 3.38Å; D228-T272 WeakPolarHBondContact OD1-CG2 3.29Å; D228-T272 PolarHBondContact OD1-OG1 3.48Å; D228-T272 PolarHBondContact OD2-OG1 3.25Å | ||
| 229 | I | 92.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 13.6 Ų | 13.6 | 14% | 0.138 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.6 | 178.2 | -164.4 | 169.2 | 0 | 0 | 0 | 113.3 | S227 F234 T272 F299 L312 N313 L314 | S227-I229 PolarHBondContact O-N 3.25Å; I229-F234 HydrophobicContact CB-CD2 4.44Å; I229-F234 HydrophobicContact CB-CE2 4.32Å; I229-F234 HydrophobicContact CB-CZ 4.47Å; I229-F234 HydrophobicContact CG1-CD1 4.31Å; I229-F234 HydrophobicContact CG1-CE1 4.09Å; I229-F234 HydrophobicContact CG1-CZ 4.2Å; I229-T272 HydrophobicContact CG2-CG2 4.43Å; I229-F299 HydrophobicContact CG2-CE1 4.17Å; I229-L312 HydrophobicContact CG2-CD2 4.19Å; I229-N313 VanDerWaalsContact CD1-OD1 3.3Å; I229-N313 WeakPolarHBondContact CD1-OD1 3.15Å; I229-L314 HydrophobicContact CG1-CD1 4.41Å; I229-L314 HydrophobicContact CG1-CG 4.5Å |
| 230 | G | 93.6 | Very high | 94 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -12.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D228 N247 T272 | D228-G230 PolarHBondContact O-N 3.11Å; D228-G230 VanDerWaalsContact O-N 3.14Å; D228-G230 PolarHBondContact OD1-N 2.86Å; G230-N247 WeakPolarHBondContact O-CB 3.28Å; G230-N247 PolarHBondContact O-ND2 3.11Å; G230-T272 WeakPolarHBondContact CA-OG1 3.3Å |
| 231 | A | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -73.5 | 143.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D228 M233 F234 N247 D250 | D228-A231 HydrophobicContact CB-CB 4.08Å; D228-A231 VanDerWaalsContact O-CB 3.28Å; D228-A231 WeakPolarHBondContact O-CB 3.49Å; D228-A231 PolarHBondContact O-N 3.37Å; A231-M233 PolarHBondContact O-N 2.71Å; A231-F234 VanDerWaalsContact O-CB 3.31Å; A231-F234 WeakPolarHBondContact O-CB 3.4Å; A231-F234 PolarHBondContact O-N 2.93Å; A231-F234 VanDerWaalsContact O-N 3.13Å; A231-N247 HydrophobicContact CB-CB 4.33Å; A231-D250 WeakPolarHBondContact CA-OD2 3.43Å |
| 232 | L | 96.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -40.2 | 168.9 | 177.1 | 68.7 | 0 | 0 | 0 | 109.5 | W138 Y211 T214 H215 F234 F244 L246 D250 | W138-L232 HydrophobicContact CH2-CD2 4.38Å; W138-L232 HydrophobicContact CZ2-CD2 3.85Å; Y211-L232 HydrophobicContact CD2-CD1 3.98Å; Y211-L232 HydrophobicContact CE1-CD1 4.26Å; Y211-L232 HydrophobicContact CE2-CD1 3.62Å; Y211-L232 HydrophobicContact CG-CD1 4.45Å; T214-L232 HydrophobicContact CG2-CD2 3.36Å; H215-L232 HydrophobicContact CB-CD1 4.2Å; H215-L232 HydrophobicContact CB-CG 4.18Å; H215-L232 PolarHBondContact ND1-O 3.32Å; L232-F234 PolarHBondContact O-N 3.05Å; L232-F234 VanDerWaalsContact O-N 3.11Å; L232-F244 HydrophobicContact CD1-CE2 4.12Å; L232-F244 HydrophobicContact CD1-CZ 4.06Å; L232-F244 HydrophobicContact CD2-CZ 4.18Å; L232-L246 HydrophobicContact CB-CD1 3.93Å; L232-L246 HydrophobicContact CD2-CD1 3.85Å; L232-D250 WeakPolarHBondContact CB-OD2 3.48Å; L232-D250 PolarHBondContact N-OD2 3.15Å |
| 233 | M | 97.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 10.5 | 178.6 | -61.3 | -52.4 | -57.4 | 0 | 0 | 114.1 | W138 H215 H219 L223 H225 S226 A231 D250 | W138-M233 HydrophobicContact CH2-CG 4.42Å; W138-M233 HydrophobicContact CH2-SD 4.3Å; W138-M233 HydrophobicContact CZ2-SD 4.16Å; H215-M233 WeakPolarHBondContact O-CE 3.48Å; H215-M233 VanDerWaalsContact O-SD 3.36Å; H219-M233 WeakPolarHBondContact CE1-CE 3.43Å; L223-M233 HydrophobicContact CB-CE 4.08Å; L223-M233 HydrophobicContact CB-CG 4.29Å; L223-M233 HydrophobicContact CB-SD 4.39Å; L223-M233 HydrophobicContact CD1-CG 3.88Å; L223-M233 HydrophobicContact CD1-SD 4.21Å; H225-M233 CarbonylContact C-O 3.56Å; H225-M233 WeakPolarHBondContact CA-O 3.23Å; H225-M233 PolarHBondContact CD2-O 3.22Å; S226-M233 PolarHBondContact N-O 2.77Å; A231-M233 PolarHBondContact O-N 2.71Å; M233-D250 WeakPolarHBondContact CB-OD1 3.15Å; M233-D250 VanDerWaalsContact CG-OD1 3.28Å; M233-D250 WeakPolarHBondContact CG-OD1 3.28Å; M233-D250 PolarHBondContact N-OD1 3.1Å |
| 234 | F | 96.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | trans | -66 | 137.1 | 169 | -170.3 | -106.3 | 0 | 0 | 0 | 110.2 | F68 H215 D228 I229 A231 L232 S236 T238 | F68-F234 HydrophobicContact CD1-CE1 4.23Å; F68-F234 AromaticContact CD1-CZ 3.66Å; F68-F234 HydrophobicContact CD1-CZ 3.66Å; F68-F234 HydrophobicContact CE1-CE1 4.11Å; F68-F234 AromaticContact CE1-CZ 3.93Å; F68-F234 HydrophobicContact CE1-CZ 3.93Å; F68-F234 HydrophobicContact CG-CZ 4.27Å; H215-F234 PolarHBondContact CE1-O 3.39Å; H215-F234 VanDerWaalsContact CE1-O 3.23Å; D228-F234 WeakPolarHBondContact O-CB 3.38Å; D228-F234 WeakPolarHBondContact O-CD2 3.44Å; I229-F234 HydrophobicContact CB-CD2 4.44Å; I229-F234 HydrophobicContact CB-CE2 4.32Å; I229-F234 HydrophobicContact CB-CZ 4.47Å; I229-F234 HydrophobicContact CG1-CD1 4.31Å; I229-F234 HydrophobicContact CG1-CE1 4.09Å; I229-F234 HydrophobicContact CG1-CZ 4.2Å; A231-F234 VanDerWaalsContact O-CB 3.31Å; A231-F234 WeakPolarHBondContact O-CB 3.4Å; A231-F234 PolarHBondContact O-N 2.93Å; A231-F234 VanDerWaalsContact O-N 3.13Å; L232-F234 PolarHBondContact O-N 3.05Å; L232-F234 VanDerWaalsContact O-N 3.11Å; F234-S236 PolarHBondContact O-N 3.01Å; F234-T238 HydrophobicContact CD1-CG2 4.02Å | ||
| 235 | P | 96.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -62.3 | -39.3 | -169.4 | -17.3 | 21.4 | 0 | 0 | 0 | 115.1 | L67 F68 R88 C89 H225 S226 | L67-P235 HydrophobicContact CD2-CG 3.72Å; F68-P235 HydrophobicContact CE2-CG 4.37Å; F68-P235 HydrophobicContact CZ-CB 4.24Å; F68-P235 HydrophobicContact CZ-CG 4.26Å; R88-P235 VanDerWaalsContact CA-O 3.3Å; R88-P235 WeakPolarHBondContact CA-O 3.44Å; R88-P235 WeakPolarHBondContact CB-O 3.3Å; C89-P235 PolarHBondContact N-O 3.34Å; H225-P235 HydrophobicContact CB-CG 3.82Å; S226-P235 WeakPolarHBondContact O-CD 3.44Å |
| 236 | S | 95.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -80.2 | 146 | -179 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | F68 F234 T238 | F68-S236 WeakPolarHBondContact CE1-OG 3.39Å; F234-S236 PolarHBondContact O-N 3.01Å; S236-T238 WeakPolarHBondContact O-CG2 3.4Å; S236-T238 PolarHBondContact O-N 2.87Å |
| 237 | Y | 93.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | trans | -63.2 | 123.1 | 170.1 | -175 | -104.7 | 0 | 0 | 0 | 110.2 | P87 L178 N206 F207 N208 Y211 V212 W239 | P87-Y237 PolarHBondContact O-N 2.99Å; L178-Y237 HydrophobicContact CD1-CD2 3.95Å; L178-Y237 HydrophobicContact CD1-CG 3.94Å; N206-Y237 VanDerWaalsContact O-CE1 3.26Å; N206-Y237 WeakPolarHBondContact O-CE1 3.33Å; N206-Y237 PolarHBondContact O-OH 3.45Å; F207-Y237 AromaticContact CD1-CD1 3.77Å; F207-Y237 HydrophobicContact CD1-CD1 3.77Å; F207-Y237 HydrophobicContact CD1-CD2 4.26Å; F207-Y237 AromaticContact CD1-CE1 3.82Å; F207-Y237 HydrophobicContact CD1-CE1 3.82Å; F207-Y237 HydrophobicContact CD1-CE2 4.31Å; F207-Y237 AromaticContact CD1-CG 3.99Å; F207-Y237 HydrophobicContact CD1-CG 3.99Å; F207-Y237 AromaticContact CE1-CD1 3.9Å; F207-Y237 HydrophobicContact CE1-CD1 3.9Å; F207-Y237 HydrophobicContact CE1-CE1 4.27Å; F207-Y237 HydrophobicContact CE1-CG 4.25Å; N208-Y237 PolarHBondContact N-OH 2.88Å; Y211-Y237 AromaticContact CD1-CD2 3.95Å; Y211-Y237 HydrophobicContact CD1-CD2 3.95Å; Y211-Y237 AromaticContact CD1-CE2 3.56Å; Y211-Y237 HydrophobicContact CD1-CE2 3.56Å; Y211-Y237 HydrophobicContact CE1-CD2 4.32Å; Y211-Y237 HydrophobicContact CE1-CE2 4.26Å; Y211-Y237 HydrophobicContact CG-CE2 4.48Å; V212-Y237 HydrophobicContact CG2-CD2 3.87Å; V212-Y237 HydrophobicContact CG2-CE2 3.8Å; Y237-W239 HydrophobicContact CD1-CD2 4.13Å; Y237-W239 HydrophobicContact CD1-CE3 4.34Å; Y237-W239 HydrophobicContact CD1-CG 4.31Å; Y237-W239 HydrophobicContact CE1-CB 4.31Å; Y237-W239 AromaticContact CE1-CD1 3.98Å; Y237-W239 HydrophobicContact CE1-CD2 4.22Å; Y237-W239 AromaticContact CE1-CG 3.94Å; Y237-W239 HydrophobicContact CE1-CG 3.94Å; Y237-W239 WeakPolarHBondContact O-CZ3 3.49Å | ||
| 238 | T | 88.3 | Confident | 91.4 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | trans | -103.1 | 9.5 | -170.5 | 38.4 | 0 | 0 | 0 | 0 | 114 | Y211 F234 S236 L314 | Y211-T238 WeakPolarHBondContact CE1-OG1 3.15Å; Y211-T238 PolarHBondContact OH-OG1 3.17Å; F234-T238 HydrophobicContact CD1-CG2 4.02Å; S236-T238 WeakPolarHBondContact O-CG2 3.4Å; S236-T238 PolarHBondContact O-N 2.87Å; T238-L314 HydrophobicContact CG2-CD1 3.31Å | ||
| 239 | W | 85.8 | Confident | 91.4 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 20% | 0.197 | 14% | 0.137 | C | C | . | . | trans | 64.7 | 122.9 | -174 | -75.7 | -95.8 | 0 | 0 | 0 | 114.7 | Y237 I317 P320 | Y237-W239 HydrophobicContact CD1-CD2 4.13Å; Y237-W239 HydrophobicContact CD1-CE3 4.34Å; Y237-W239 HydrophobicContact CD1-CG 4.31Å; Y237-W239 HydrophobicContact CE1-CB 4.31Å; Y237-W239 AromaticContact CE1-CD1 3.98Å; Y237-W239 HydrophobicContact CE1-CD2 4.22Å; Y237-W239 AromaticContact CE1-CG 3.94Å; Y237-W239 HydrophobicContact CE1-CG 3.94Å; Y237-W239 WeakPolarHBondContact O-CZ3 3.49Å; W239-I317 HydrophobicContact CE3-CB 4.5Å; W239-I317 HydrophobicContact CE3-CG1 3.73Å; W239-I317 HydrophobicContact CZ3-CB 4.45Å; W239-I317 HydrophobicContact CZ3-CG1 3.78Å; W239-P320 HydrophobicContact CG-CB 4.23Å; W239-P320 HydrophobicContact CG-CG 4.32Å | ||
| 240 | Y | 86.6 | Confident | 91.7 | Very high | 30 Ų | 30 | 25.9 Ų | 25.9 | 12% | 0.118 | 13% | 0.131 | C | C | . | . | trans | -69.6 | 141.5 | 175.1 | 172.2 | -100.1 | 0 | 0 | 0 | 111.7 | S204 N208 F210 Y211 D242 F244 | S204-Y240 WeakPolarHBondContact CB-O 3.37Å; N208-Y240 VanDerWaalsContact CB-CB 3.47Å; N208-Y240 HydrophobicContact CB-CD1 4.07Å; N208-Y240 HydrophobicContact CB-CG 3.8Å; N208-Y240 VanDerWaalsContact ND2-CD1 3.3Å; N208-Y240 WeakPolarHBondContact ND2-CD1 3.37Å; F210-Y240 HydrophobicContact CD1-CD2 4.23Å; F210-Y240 AromaticContact CD1-CE2 3.82Å; F210-Y240 HydrophobicContact CD1-CE2 3.82Å; F210-Y240 HydrophobicContact CE1-CD2 4.4Å; F210-Y240 AromaticContact CE1-CE2 3.85Å; F210-Y240 HydrophobicContact CE1-CE2 3.85Å; Y211-Y240 AromaticContact CD2-CD2 3.96Å; Y211-Y240 HydrophobicContact CD2-CD2 3.96Å; Y211-Y240 HydrophobicContact CG-CD2 4.27Å; Y240-D242 VanDerWaalsContact CE1-OD1 3.29Å; Y240-D242 WeakPolarHBondContact CE1-OD1 3.36Å; Y240-D242 PolarHBondContact OH-OD1 3.45Å; Y240-D242 VanDerWaalsContact OH-OD1 3.05Å; Y240-F244 HydrophobicContact CD2-CB 4.3Å; Y240-F244 HydrophobicContact CE2-CB 3.99Å | ||
| 241 | T | 82.4 | Confident | 91.9 | Very high | 16 Ų | 16 | 26 Ų | 26 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | trans | -136.9 | 144.8 | 174.9 | 37.8 | 0 | 0 | 0 | 0 | 107.9 | D243 F244 | T241-D243 VanDerWaalsContact CB-OD1 3.24Å; T241-D243 WeakPolarHBondContact CB-OD1 3.3Å; T241-D243 PolarHBondContact O-N 2.93Å; T241-D243 VanDerWaalsContact O-N 3.1Å; T241-D243 PolarHBondContact OG1-OD1 2.93Å; T241-F244 WeakPolarHBondContact O-CB 3.4Å; T241-F244 PolarHBondContact O-N 3.28Å | ||
| 242 | D | 81.5 | Confident | 91.9 | Very high | 141 Ų | 141 | 30.3 Ų | 30.3 | 75% | 0.754 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.6 | -175.1 | -69.7 | -35.7 | 0 | 0 | 0 | 114 | Y240 F244 | Y240-D242 VanDerWaalsContact CE1-OD1 3.29Å; Y240-D242 WeakPolarHBondContact CE1-OD1 3.36Å; Y240-D242 PolarHBondContact OH-OD1 3.45Å; Y240-D242 VanDerWaalsContact OH-OD1 3.05Å; D242-F244 VanDerWaalsContact C-N 3.26Å; D242-F244 PolarHBondContact O-N 3.43Å |
| 243 | D | 79.6 | Confident | 91.9 | Very high | 51 Ų | 51 | 33 Ų | 33 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 22.7 | 172.7 | 63.2 | -8.9 | 0 | 0 | 0 | 113 | T241 V245 K342 | T241-D243 VanDerWaalsContact CB-OD1 3.24Å; T241-D243 WeakPolarHBondContact CB-OD1 3.3Å; T241-D243 PolarHBondContact O-N 2.93Å; T241-D243 VanDerWaalsContact O-N 3.1Å; T241-D243 PolarHBondContact OG1-OD1 2.93Å; D243-V245 PolarHBondContact O-N 3.03Å; D243-K342 IonicContact OD2-NZ 3.49Å; D243-K342 PolarHBondContact OD2-NZ 2.62Å |
| 244 | F | 87.9 | Confident | 91.9 | Very high | 30 Ų | 30 | 33 Ų | 33 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | trans | -54.9 | 125.8 | 174.6 | 170.6 | -110.8 | 0 | 0 | 0 | 111.8 | V137 F210 Y211 L232 Y240 T241 D242 L246 | V137-F244 HydrophobicContact CG2-CE1 4.27Å; F210-F244 AromaticContact CE1-CD1 3.65Å; F210-F244 HydrophobicContact CE1-CD1 3.65Å; F210-F244 HydrophobicContact CE1-CE1 4.07Å; F210-F244 AromaticContact CZ-CD1 3.77Å; F210-F244 HydrophobicContact CZ-CD1 3.77Å; F210-F244 AromaticContact CZ-CE1 3.84Å; F210-F244 HydrophobicContact CZ-CE1 3.84Å; Y211-F244 HydrophobicContact CD2-CD2 4.02Å; Y211-F244 HydrophobicContact CD2-CE2 4.13Å; Y211-F244 HydrophobicContact CD2-CG 4.29Å; Y211-F244 AromaticContact CE2-CD2 3.48Å; Y211-F244 HydrophobicContact CE2-CD2 3.48Å; Y211-F244 VanDerWaalsContact CE2-CD2 3.48Å; Y211-F244 AromaticContact CE2-CE2 3.52Å; Y211-F244 HydrophobicContact CE2-CE2 3.52Å; Y211-F244 HydrophobicContact CE2-CG 4.19Å; Y211-F244 HydrophobicContact CE2-CZ 4.27Å; L232-F244 HydrophobicContact CD1-CE2 4.12Å; L232-F244 HydrophobicContact CD1-CZ 4.06Å; L232-F244 HydrophobicContact CD2-CZ 4.18Å; Y240-F244 HydrophobicContact CD2-CB 4.3Å; Y240-F244 HydrophobicContact CE2-CB 3.99Å; T241-F244 WeakPolarHBondContact O-CB 3.4Å; T241-F244 PolarHBondContact O-N 3.28Å; D242-F244 VanDerWaalsContact C-N 3.26Å; D242-F244 PolarHBondContact O-N 3.43Å; F244-L246 HydrophobicContact CZ-CD1 4.44Å | ||
| 245 | V | 89.9 | Confident | 91.9 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 44% | 0.442 | 17% | 0.172 | S | C | . | . | trans | -134.3 | 141.1 | 170.1 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | D243 | D243-V245 PolarHBondContact O-N 3.03Š| ||
| 246 | L | 94.5 | Very high | 91.9 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | trans | -59 | 140 | 176.9 | -165 | 62.7 | 0 | 0 | 0 | 110.3 | V137 W138 V141 L232 F244 D250 I251 G269 A270 | V137-L246 HydrophobicContact CG1-CB 4.39Å; V137-L246 HydrophobicContact CG1-CD1 4.15Å; V137-L246 HydrophobicContact CG1-CD2 4.08Å; V137-L246 HydrophobicContact CG1-CG 4.44Å; W138-L246 HydrophobicContact CE3-CD2 4.23Å; W138-L246 HydrophobicContact CH2-CD1 4.13Å; W138-L246 HydrophobicContact CZ3-CD1 4.32Å; W138-L246 HydrophobicContact CZ3-CD2 3.94Å; V141-L246 HydrophobicContact CG1-CD2 4.41Å; V141-L246 HydrophobicContact CG2-CD2 4.23Å; L232-L246 HydrophobicContact CB-CD1 3.93Å; L232-L246 HydrophobicContact CD2-CD1 3.85Å; F244-L246 HydrophobicContact CZ-CD1 4.44Å; L246-D250 HydrophobicContact CD1-CB 3.67Å; L246-D250 HydrophobicContact CD2-CB 4.23Å; L246-D250 HydrophobicContact CG-CB 3.77Å; L246-I251 HydrophobicContact CB-CG1 4.33Å; L246-I251 HydrophobicContact CD2-CG1 3.65Å; L246-I251 HydrophobicContact CG-CG1 4.03Å; L246-G269 CarbonylContact O-C 3.59Å; L246-G269 WeakPolarHBondContact O-CA 3.42Å; L246-A270 PolarHBondContact O-N 2.73Å | ||
| 247 | N | 95.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 147.8 | 177 | -173.1 | -61.1 | 0 | 0 | 0 | 109.9 | D228 G230 A231 E249 D250 I251 A270 T272 | D228-N247 PolarHBondContact OD2-ND2 2.68Å; G230-N247 WeakPolarHBondContact O-CB 3.28Å; G230-N247 PolarHBondContact O-ND2 3.11Å; A231-N247 HydrophobicContact CB-CB 4.33Å; N247-E249 PolarHBondContact O-N 2.76Å; N247-E249 WeakPolarHBondContact OD1-CB 3.25Å; N247-E249 PolarHBondContact OD1-N 2.89Å; N247-D250 WeakPolarHBondContact CB-OD2 3.31Å; N247-D250 PolarHBondContact O-N 3.09Å; N247-D250 VanDerWaalsContact O-N 3.1Å; N247-I251 PolarHBondContact O-N 2.8Å; N247-I251 VanDerWaalsContact O-N 3.12Å; N247-A270 CarbonylContact C-O 3.58Å; N247-A270 WeakPolarHBondContact CA-O 3.42Å; N247-A270 PolarHBondContact OD1-O 3.23Å; N247-T272 PolarHBondContact ND2-OG1 2.93Å |
| 248 | Q | 96.3 | Very high | 92 | Very high | 45 Ų | 45 | 40 Ų | 40 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -31.9 | 177.8 | -169.2 | 59.1 | 58.1 | 0 | 0 | 112.3 | I251 N252 A270 T271 | Q248-I251 PolarHBondContact O-N 3.04Å; Q248-N252 PolarHBondContact NE2-OD1 3.28Å; Q248-N252 WeakPolarHBondContact O-CB 3.43Å; Q248-N252 PolarHBondContact O-N 3.46Å; Q248-N252 PolarHBondContact O-ND2 2.99Å; Q248-N252 PolarHBondContact O-OD1 3.26Å; Q248-A270 PolarHBondContact N-O 3.41Å; Q248-T271 HydrophobicContact CB-CG2 4.17Å |
| 249 | E | 95.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 173.6 | -170.1 | -176.5 | 135.2 | 0 | 0 | 111.7 | S226 D228 N247 I251 N252 R253 | S226-E249 WeakPolarHBondContact CB-OE1 3.46Å; S226-E249 VanDerWaalsContact OG-CD 3.24Å; S226-E249 PolarHBondContact OG-OE1 3.37Å; S226-E249 PolarHBondContact OG-OE2 2.96Å; D228-E249 WeakPolarHBondContact CB-OE2 3.49Å; N247-E249 PolarHBondContact O-N 2.76Å; N247-E249 WeakPolarHBondContact OD1-CB 3.25Å; N247-E249 PolarHBondContact OD1-N 2.89Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.27Å; E249-N252 PolarHBondContact O-N 3.27Å; E249-R253 HydrophobicContact CG-CG 4.26Å; E249-R253 WeakPolarHBondContact O-CB 3.43Å; E249-R253 VanDerWaalsContact O-CG 3.22Å; E249-R253 WeakPolarHBondContact O-CG 3.45Å; E249-R253 PolarHBondContact O-N 2.89Å; E249-R253 IonicContact OE1-NH1 3.07Å |
| 250 | D | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 177.5 | -60.8 | -51.1 | 0 | 0 | 0 | 110.9 | W138 A231 L232 M233 L246 N247 R253 I254 | W138-D250 HydrophobicContact CH2-CB 4.28Å; W138-D250 HydrophobicContact CZ3-CB 4.4Å; A231-D250 WeakPolarHBondContact CA-OD2 3.43Å; L232-D250 WeakPolarHBondContact CB-OD2 3.48Å; L232-D250 PolarHBondContact N-OD2 3.15Å; M233-D250 WeakPolarHBondContact CB-OD1 3.15Å; M233-D250 VanDerWaalsContact CG-OD1 3.28Å; M233-D250 WeakPolarHBondContact CG-OD1 3.28Å; M233-D250 PolarHBondContact N-OD1 3.1Å; L246-D250 HydrophobicContact CD1-CB 3.67Å; L246-D250 HydrophobicContact CD2-CB 4.23Å; L246-D250 HydrophobicContact CG-CB 3.77Å; N247-D250 WeakPolarHBondContact CB-OD2 3.31Å; N247-D250 PolarHBondContact O-N 3.09Å; N247-D250 VanDerWaalsContact O-N 3.1Å; D250-R253 PolarHBondContact O-N 3.21Å; D250-I254 WeakPolarHBondContact O-CG2 3.28Å; D250-I254 PolarHBondContact O-N 2.95Å |
| 251 | I | 97.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.9 | -51 | 175 | -64.7 | 173.3 | 0 | 0 | 0 | 110.2 | V141 L246 N247 Q248 E249 R253 I254 Q255 | V141-I251 HydrophobicContact CB-CG2 4.41Å; V141-I251 HydrophobicContact CG1-CD1 4.43Å; V141-I251 HydrophobicContact CG1-CG1 4.19Å; L246-I251 HydrophobicContact CB-CG1 4.33Å; L246-I251 HydrophobicContact CD2-CG1 3.65Å; L246-I251 HydrophobicContact CG-CG1 4.03Å; N247-I251 PolarHBondContact O-N 2.8Å; N247-I251 VanDerWaalsContact O-N 3.12Å; Q248-I251 PolarHBondContact O-N 3.04Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.27Å; I251-R253 VanDerWaalsContact C-N 3.29Å; I251-R253 PolarHBondContact O-N 2.95Å; I251-I254 WeakPolarHBondContact O-CG2 3.48Å; I251-I254 PolarHBondContact O-N 3.37Å; I251-Q255 HydrophobicContact CG2-CG 4.27Å; I251-Q255 VanDerWaalsContact O-CB 3.26Å; I251-Q255 WeakPolarHBondContact O-CB 2.99Å; I251-Q255 WeakPolarHBondContact O-CG 3.47Å; I251-Q255 PolarHBondContact O-N 2.83Å |
| 252 | N | 96.4 | Very high | 93.8 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | -178.6 | -67.4 | -15 | 0 | 0 | 0 | 111.3 | Q248 E249 A256 | Q248-N252 PolarHBondContact NE2-OD1 3.28Å; Q248-N252 WeakPolarHBondContact O-CB 3.43Å; Q248-N252 PolarHBondContact O-N 3.46Å; Q248-N252 PolarHBondContact O-ND2 2.99Å; Q248-N252 PolarHBondContact O-OD1 3.26Å; E249-N252 PolarHBondContact O-N 3.27Å; N252-A256 WeakPolarHBondContact O-CB 3.28Å; N252-A256 PolarHBondContact O-N 3.46Å |
| 253 | R | 96.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 22% | 0.219 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.1 | -41.4 | -177.2 | -69.5 | 174.4 | 68.8 | -152.7 | -0.7 | 112.3 | L223 T224 E249 D250 I251 A256 | L223-R253 HydrophobicContact CD2-CB 3.84Å; T224-R253 PolarHBondContact O-NH1 3.26Å; T224-R253 PolarHBondContact O-NH2 3.44Å; T224-R253 PolarHBondContact OG1-NH2 3.34Å; E249-R253 HydrophobicContact CG-CG 4.26Å; E249-R253 WeakPolarHBondContact O-CB 3.43Å; E249-R253 VanDerWaalsContact O-CG 3.22Å; E249-R253 WeakPolarHBondContact O-CG 3.45Å; E249-R253 PolarHBondContact O-N 2.89Å; E249-R253 IonicContact OE1-NH1 3.07Å; D250-R253 PolarHBondContact O-N 3.21Å; I251-R253 VanDerWaalsContact C-N 3.29Å; I251-R253 PolarHBondContact O-N 2.95Å; R253-A256 WeakPolarHBondContact O-CB 3.3Å; R253-A256 PolarHBondContact O-N 3.13Å |
| 254 | I | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.3 | -37.2 | 177 | -164 | 69.6 | 0 | 0 | 0 | 111.5 | W138 V141 T142 L221 L223 D250 I251 A256 L257 Y258 | W138-I254 HydrophobicContact CE3-CB 4.07Å; W138-I254 HydrophobicContact CE3-CD1 4.32Å; W138-I254 HydrophobicContact CE3-CG1 3.88Å; W138-I254 HydrophobicContact CE3-CG2 4.04Å; W138-I254 HydrophobicContact CZ3-CB 3.92Å; W138-I254 HydrophobicContact CZ3-CG1 4.18Å; W138-I254 HydrophobicContact CZ3-CG2 4Å; V141-I254 HydrophobicContact CG2-CG2 3.7Å; T142-I254 HydrophobicContact CG2-CB 4.35Å; T142-I254 HydrophobicContact CG2-CG1 3.69Å; T142-I254 HydrophobicContact CG2-CG2 3.81Å; L221-I254 HydrophobicContact CB-CD1 3.85Å; L221-I254 HydrophobicContact CD1-CD1 4.21Å; L223-I254 HydrophobicContact CD1-CB 4.23Å; L223-I254 HydrophobicContact CD1-CD1 4.03Å; L223-I254 HydrophobicContact CD2-CB 4.35Å; L223-I254 HydrophobicContact CD2-CD1 4.16Å; L223-I254 HydrophobicContact CG-CD1 3.92Å; D250-I254 WeakPolarHBondContact O-CG2 3.28Å; D250-I254 PolarHBondContact O-N 2.95Å; I251-I254 WeakPolarHBondContact O-CG2 3.48Å; I251-I254 PolarHBondContact O-N 3.37Å; I254-A256 VanDerWaalsContact C-N 3.28Å; I254-A256 PolarHBondContact O-N 2.7Å; I254-L257 HydrophobicContact CD1-CD1 4.46Å; I254-L257 WeakPolarHBondContact O-CB 3.5Å; I254-L257 PolarHBondContact O-N 3.25Å; I254-L257 VanDerWaalsContact O-N 3.07Å; I254-Y258 HydrophobicContact CD1-CD2 3.78Å; I254-Y258 HydrophobicContact CD1-CE2 3.75Å; I254-Y258 HydrophobicContact CG1-CD2 4.07Å; I254-Y258 PolarHBondContact O-N 2.99Å |
| 255 | Q | 96.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 52 Ų | 52 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.9 | -27.2 | 175.3 | -69.9 | -176.8 | -10.8 | 0 | 0 | 112.4 | V141 I251 L257 G259 | V141-Q255 WeakPolarHBondContact O-CG 3.11Å; V141-Q255 PolarHBondContact O-NE2 3Å; I251-Q255 HydrophobicContact CG2-CG 4.27Å; I251-Q255 VanDerWaalsContact O-CB 3.26Å; I251-Q255 WeakPolarHBondContact O-CB 2.99Å; I251-Q255 WeakPolarHBondContact O-CG 3.47Å; I251-Q255 PolarHBondContact O-N 2.83Å; Q255-L257 PolarHBondContact O-N 2.61Å; Q255-G259 WeakPolarHBondContact O-CA 3.44Å; Q255-G259 PolarHBondContact O-N 3.23Å |
| 256 | A | 95.2 | Very high | 94.7 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 72% | 0.719 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.3 | -26.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N252 R253 I254 | N252-A256 WeakPolarHBondContact O-CB 3.28Å; N252-A256 PolarHBondContact O-N 3.46Å; R253-A256 WeakPolarHBondContact O-CB 3.3Å; R253-A256 PolarHBondContact O-N 3.13Å; I254-A256 VanDerWaalsContact C-N 3.28Å; I254-A256 PolarHBondContact O-N 2.7Å |
| 257 | L | 94.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -85.1 | -46.2 | 177.1 | -64 | 176.3 | 0 | 0 | 0 | 112.5 | R105 L223 I254 Q255 | R105-L257 WeakPolarHBondContact CD-O 3.26Å; R105-L257 PolarHBondContact NH1-O 3.43Å; L223-L257 HydrophobicContact CD2-CD1 3.93Å; I254-L257 HydrophobicContact CD1-CD1 4.46Å; I254-L257 WeakPolarHBondContact O-CB 3.5Å; I254-L257 PolarHBondContact O-N 3.25Å; I254-L257 VanDerWaalsContact O-N 3.07Å; Q255-L257 PolarHBondContact O-N 2.61Å |
| 258 | Y | 96.5 | Very high | 94.2 | Very high | 22 Ų | 22 | 59 Ų | 59 | 9% | 0.086 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -117 | -8.2 | -167.5 | -60.6 | -74.1 | 0 | 0 | 0 | 115.1 | R105 W106 P143 L144 L221 I254 | R105-Y258 HydrophobicContact CG-CE1 3.88Å; W106-Y258 HydrophobicContact CB-CE1 4.21Å; W106-Y258 PolarHBondContact N-OH 2.85Å; W106-Y258 VanDerWaalsContact N-OH 3.13Å; P143-Y258 WeakPolarHBondContact CD-O 3.23Å; L144-Y258 HydrophobicContact CD1-CD1 4.36Å; L144-Y258 HydrophobicContact CD1-CD2 3.84Å; L144-Y258 HydrophobicContact CD1-CE2 4.05Å; L144-Y258 HydrophobicContact CD1-CG 4Å; L144-Y258 HydrophobicContact CD2-CD1 3.67Å; L144-Y258 HydrophobicContact CD2-CE1 3.94Å; L144-Y258 HydrophobicContact CD2-CG 4.04Å; L144-Y258 HydrophobicContact CG-CD1 4.24Å; L144-Y258 HydrophobicContact CG-CD2 4.42Å; L144-Y258 HydrophobicContact CG-CG 4.08Å; L221-Y258 HydrophobicContact CB-CE2 4.23Å; L221-Y258 WeakPolarHBondContact O-CE2 3.44Å; L221-Y258 VanDerWaalsContact O-CZ 3.29Å; L221-Y258 PolarHBondContact O-OH 2.92Å; I254-Y258 HydrophobicContact CD1-CD2 3.78Å; I254-Y258 HydrophobicContact CD1-CE2 3.75Å; I254-Y258 HydrophobicContact CG1-CD2 4.07Å; I254-Y258 PolarHBondContact O-N 2.99Å |
| 259 | G | 96 | Very high | 94 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | trans | 83.2 | 170.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P143 Q255 | P143-G259 VanDerWaalsContact CD-O 3.27Å; P143-G259 WeakPolarHBondContact CD-O 3.1Å; Q255-G259 WeakPolarHBondContact O-CA 3.44Å; Q255-G259 PolarHBondContact O-N 3.23Å | ||
| 260 | P | 97.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | trans | -73.2 | 159.3 | 176.1 | 31.4 | -35.2 | 0 | 0 | 0 | 112 | P143 | P143-P260 WeakPolarHBondContact CD-O 3.34Å; P143-P260 VanDerWaalsContact CG-O 3.3Å; P143-P260 WeakPolarHBondContact CG-O 3.31Å | ||
| 261 | S | 95.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | trans | -54.5 | 144.7 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | S140 V141 T142 N263 Q266 | S140-S261 WeakPolarHBondContact O-CB 3.48Å; V141-S261 PolarHBondContact O-N 2.85Å; T142-S261 WeakPolarHBondContact O-CA 3.46Å; S261-N263 PolarHBondContact O-N 3Å; S261-N263 VanDerWaalsContact O-N 3.1Å; S261-N263 PolarHBondContact OG-N 3.46Å; S261-N263 PolarHBondContact OG-ND2 3.48Å; S261-Q266 PolarHBondContact O-NE2 3.37Å | ||
| 262 | P | 92.1 | Very high | 93.4 | Very high | 111 Ų | 111 | 61.7 Ų | 61.7 | 72% | 0.721 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -65.4 | -8.5 | 173.7 | 27.9 | -36.2 | 0 | 0 | 0 | 113.5 | ||
| 263 | N | 91.2 | Very high | 93.2 | Very high | 90 Ų | 90 | 57.9 Ų | 57.9 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -63.4 | 135.8 | 175.9 | -71.4 | -44.4 | 0 | 0 | 0 | 111.6 | S261 I265 Q266 | S261-N263 PolarHBondContact O-N 3Å; S261-N263 VanDerWaalsContact O-N 3.1Å; S261-N263 PolarHBondContact OG-N 3.46Å; S261-N263 PolarHBondContact OG-ND2 3.48Å; N263-I265 PolarHBondContact O-N 3.3Å; N263-Q266 PolarHBondContact O-NE2 2.85Å |
| 264 | P | 87.6 | Confident | 93 | Very high | 129 Ų | 129 | 60 Ų | 60 | 84% | 0.838 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -67.3 | -26.8 | -178.2 | 26.2 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 265 | I | 89.4 | Confident | 92.6 | Very high | 147 Ų | 147 | 60.9 Ų | 60.9 | 75% | 0.754 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -99.1 | 112.1 | 175.4 | -59.1 | 172.2 | 0 | 0 | 0 | 107 | N263 | N263-I265 PolarHBondContact O-N 3.3Š|
| 266 | Q | 88.8 | Confident | 92 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 133 | 175.1 | -64.9 | -61.7 | -53.1 | 0 | 0 | 109.7 | S261 N263 | S261-Q266 PolarHBondContact O-NE2 3.37Å; N263-Q266 PolarHBondContact O-NE2 2.85Å |
| 267 | P | 89.2 | Confident | 91.7 | Very high | 51 Ų | 51 | 64 Ų | 64 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 141.7 | 173.9 | 25.2 | -29 | 0 | 0 | 0 | 110 | V141 | V141-P267 HydrophobicContact CB-CG 4.16Å; V141-P267 HydrophobicContact CG1-CB 4.4Å; V141-P267 HydrophobicContact CG1-CG 3.43Å; V141-P267 VanDerWaalsContact CG1-CG 3.43Å |
| 268 | T | 91.3 | Very high | 91.2 | Very high | 116 Ų | 116 | 68.2 Ų | 68.2 | 71% | 0.712 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -100.5 | 132.3 | 172.6 | -44.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 269 | G | 91.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 11% | 0.113 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 168.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L246 | L246-G269 CarbonylContact O-C 3.59Å; L246-G269 WeakPolarHBondContact O-CA 3.42Å |
| 270 | A | 92.3 | Very high | 90.2 | Very high | 33 Ų | 33 | 69.2 Ų | 69.2 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 149.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L246 N247 Q248 | L246-A270 PolarHBondContact O-N 2.73Å; N247-A270 CarbonylContact C-O 3.58Å; N247-A270 WeakPolarHBondContact CA-O 3.42Å; N247-A270 PolarHBondContact OD1-O 3.23Å; Q248-A270 PolarHBondContact N-O 3.41Å |
| 271 | T | 93.1 | Very high | 89.8 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 64% | 0.644 | 42% | 0.418 | S | S | * | . | trans | -116.3 | 144.2 | 175.1 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | Q248 | Q248-T271 HydrophobicContact CB-CG2 4.17Š| ||
| 272 | T | 93.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 9% | 0.086 | 42% | 0.418 | C | S | . | . | trans | -81.3 | 121.8 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | D228 I229 G230 N247 Q274 F299 L312 | D228-T272 VanDerWaalsContact OD1-CB 3.22Å; D228-T272 WeakPolarHBondContact OD1-CB 3.38Å; D228-T272 WeakPolarHBondContact OD1-CG2 3.29Å; D228-T272 PolarHBondContact OD1-OG1 3.48Å; D228-T272 PolarHBondContact OD2-OG1 3.25Å; I229-T272 HydrophobicContact CG2-CG2 4.43Å; G230-T272 WeakPolarHBondContact CA-OG1 3.3Å; N247-T272 PolarHBondContact ND2-OG1 2.93Å; T272-Q274 PolarHBondContact O-NE2 3.32Å; T272-F299 HydrophobicContact CG2-CD1 4.36Å; T272-F299 HydrophobicContact CG2-CE1 3.78Å; T272-F299 HydrophobicContact CG2-CZ 4.02Å; T272-F299 WeakPolarHBondContact OG1-CZ 3.15Å; T272-L312 HydrophobicContact CG2-CD2 3.6Å | ||
| 273 | P | 93.1 | Very high | 90 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 7% | 0.065 | 39% | 0.391 | C | S | . | . | trans | -67.2 | 140.7 | -176.1 | 27.8 | -33.9 | 0 | 0 | 0 | 111 | L280 K296 F299 L312 | P273-L280 HydrophobicContact CB-CD1 4.09Å; P273-K296 HydrophobicContact CB-CB 4.45Å; P273-K296 HydrophobicContact CB-CG 4.21Å; P273-K296 HydrophobicContact CG-CB 4.28Å; P273-K296 HydrophobicContact CG-CG 4.41Å; P273-F299 HydrophobicContact CG-CB 3.9Å; P273-F299 HydrophobicContact CG-CD2 3.89Å; P273-F299 HydrophobicContact CG-CG 3.91Å; P273-L312 HydrophobicContact CG-CD1 3.81Å | ||
| 274 | Q | 90.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 60.9 Ų | 60.9 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | trans | -106.3 | 114.4 | 177.4 | -62.7 | -56.8 | -47.4 | 0 | 0 | 109.4 | T272 C276 E277 | T272-Q274 PolarHBondContact O-NE2 3.32Å; Q274-C276 VanDerWaalsContact C-N 3.26Å; Q274-C276 PolarHBondContact O-N 3.37Å; Q274-C276 VanDerWaalsContact O-N 3.13Å; Q274-E277 HydrophobicContact CB-CB 3.95Å; Q274-E277 VanDerWaalsContact O-CB 3.31Å; Q274-E277 WeakPolarHBondContact O-CB 3.39Å; Q274-E277 PolarHBondContact O-N 3Å | ||
| 275 | P | 88.4 | Confident | 90.8 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38 | -173.7 | -28.7 | 33.9 | 0 | 0 | 0 | 114.7 | I301 P310 F462 | P275-I301 HydrophobicContact CB-CD1 4.43Å; P275-I301 HydrophobicContact CG-CD1 4.01Å; P275-I301 HydrophobicContact CG-CG1 4.44Å; P275-I301 HydrophobicContact CG-CG2 4.38Å; P275-P310 HydrophobicContact CB-CB 4.46Å; P275-P310 HydrophobicContact CB-CG 3.85Å; P275-P310 HydrophobicContact CG-CG 4.09Å; P275-F462 HydrophobicContact CB-CB 4.16Å; P275-F462 HydrophobicContact CB-CD2 3.83Å; P275-F462 HydrophobicContact CB-CE2 4.35Å; P275-F462 HydrophobicContact CB-CG 4Å; P275-F462 VanDerWaalsContact O-CD2 3.24Å; P275-F462 WeakPolarHBondContact O-CD2 3.46Å |
| 276 | C | 85.9 | Confident | 91.2 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 12.8 | -179.2 | -63.6 | 0 | 0 | 0 | 0 | 114.9 | Q274 C464 | Q274-C276 VanDerWaalsContact C-N 3.26Å; Q274-C276 PolarHBondContact O-N 3.37Å; Q274-C276 VanDerWaalsContact O-N 3.13Å; C276-C464 WeakPolarHBondContact CA-SG 3.01Å; C276-C464 HydrophobicContact CB-CB 3.79Å; C276-C464 WeakPolarHBondContact CB-SG 3.34Å; C276-C464 WeakPolarHBondContact SG-CB 3.33Å; C276-C464 CovalentContact SG-SG 2.04Å; C276-C464 PolarHBondContact SG-SG 3.41Å |
| 277 | E | 87.4 | Confident | 91.5 | Very high | 110 Ų | 110 | 46 Ų | 46 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | trans | -74.9 | 138.7 | 173.1 | -173.3 | 171.5 | -166.2 | 0 | 0 | 110.8 | Q274 N459 | Q274-E277 HydrophobicContact CB-CB 3.95Å; Q274-E277 VanDerWaalsContact O-CB 3.31Å; Q274-E277 WeakPolarHBondContact O-CB 3.39Å; Q274-E277 PolarHBondContact O-N 3Å; E277-N459 PolarHBondContact O-ND2 3.19Å; E277-N459 VanDerWaalsContact O-ND2 3.15Å | ||
| 278 | S | 84.4 | Confident | 91.6 | Very high | 108 Ų | 108 | 45.1 Ų | 45.1 | 76% | 0.755 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 138.6 | 176.6 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | L280 | S278-L280 VanDerWaalsContact C-N 3.33Š|
| 279 | G | 83.5 | Confident | 91.5 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 7.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N281 | G279-N281 PolarHBondContact O-N 3.28Š|
| 280 | L | 87.8 | Confident | 91.2 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | trans | -58.9 | 126.3 | 173.7 | -177.7 | 63.5 | 0 | 0 | 0 | 110.4 | P273 S278 F282 I301 S458 F462 | P273-L280 HydrophobicContact CB-CD1 4.09Å; S278-L280 VanDerWaalsContact C-N 3.33Å; L280-F282 HydrophobicContact CD2-CE1 3.82Å; L280-F282 HydrophobicContact CD2-CZ 3.99Å; L280-F282 HydrophobicContact CG-CE1 3.91Å; L280-F282 HydrophobicContact CG-CZ 4.09Å; L280-I301 HydrophobicContact CD2-CD1 4.35Å; L280-S458 PolarHBondContact O-OG 3.17Å; L280-F462 HydrophobicContact CD2-CE2 3.88Å | ||
| 281 | N | 90.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | trans | -119.1 | 169.2 | 171.8 | 66.1 | 11.9 | 0 | 0 | 0 | 110.3 | G279 K296 E439 | G279-N281 PolarHBondContact O-N 3.28Å; N281-K296 WeakPolarHBondContact O-CD 3.41Å; N281-K296 VanDerWaalsContact OD1-CE 3.27Å; N281-K296 WeakPolarHBondContact OD1-CE 3.14Å; N281-K296 PolarHBondContact OD1-NZ 3.34Å; N281-E439 WeakPolarHBondContact CB-O 3.5Å | ||
| 282 | F | 94.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | trans | -123 | 156.5 | -174.1 | -53.1 | -68.1 | 0 | 0 | 0 | 110.7 | L280 I285 F294 I301 F437 F462 | L280-F282 HydrophobicContact CD2-CE1 3.82Å; L280-F282 HydrophobicContact CD2-CZ 3.99Å; L280-F282 HydrophobicContact CG-CE1 3.91Å; L280-F282 HydrophobicContact CG-CZ 4.09Å; F282-I285 HydrophobicContact CB-CD1 4.21Å; F282-I285 HydrophobicContact CB-CG1 3.95Å; F282-I285 HydrophobicContact CD2-CD1 3.7Å; F282-I285 HydrophobicContact CD2-CG1 4.22Å; F282-I285 HydrophobicContact CE2-CD1 4.43Å; F282-I285 HydrophobicContact CG-CD1 4.18Å; F282-I285 HydrophobicContact CG-CG1 4.2Å; F282-F294 HydrophobicContact CD1-CB 3.73Å; F282-F294 HydrophobicContact CD1-CD1 4.07Å; F282-F294 HydrophobicContact CD1-CG 4.36Å; F282-F294 AromaticContact CD2-CD1 3.72Å; F282-F294 HydrophobicContact CD2-CD1 3.72Å; F282-F294 HydrophobicContact CD2-CE1 4.36Å; F282-F294 HydrophobicContact CE1-CB 3.76Å; F282-F294 AromaticContact CE1-CD1 3.89Å; F282-F294 HydrophobicContact CE1-CD1 3.89Å; F282-F294 HydrophobicContact CE1-CG 4.13Å; F282-F294 AromaticContact CE2-CD1 3.49Å; F282-F294 HydrophobicContact CE2-CD1 3.49Å; F282-F294 VanDerWaalsContact CE2-CD1 3.49Å; F282-F294 AromaticContact CE2-CE1 3.92Å; F282-F294 HydrophobicContact CE2-CE1 3.92Å; F282-F294 HydrophobicContact CE2-CG 4.48Å; F282-F294 HydrophobicContact CG-CB 4.28Å; F282-F294 AromaticContact CG-CD1 3.98Å; F282-F294 HydrophobicContact CG-CD1 3.98Å; F282-F294 HydrophobicContact CZ-CB 4.32Å; F282-F294 AromaticContact CZ-CD1 3.59Å; F282-F294 HydrophobicContact CZ-CD1 3.59Å; F282-F294 HydrophobicContact CZ-CE1 4.23Å; F282-F294 HydrophobicContact CZ-CG 4.19Å; F282-I301 HydrophobicContact CE1-CD1 4.49Å; F282-F437 HydrophobicContact CD2-CD1 4.36Å; F282-F437 HydrophobicContact CE2-CE1 4.35Å; F282-F462 HydrophobicContact CE1-CE2 4Å; F282-F462 AromaticContact CE1-CZ 3.9Å; F282-F462 HydrophobicContact CE1-CZ 3.9Å; F282-F462 AromaticContact CZ-CE2 3.57Å; F282-F462 HydrophobicContact CZ-CE2 3.57Å; F282-F462 AromaticContact CZ-CZ 3.64Å; F282-F462 HydrophobicContact CZ-CZ 3.64Å | ||
| 283 | D | 96.2 | Very high | 91.4 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -95.7 | -30.4 | 176.5 | -68.9 | -1 | 0 | 0 | 0 | 110.6 | F295 K296 G297 L326 D327 | D283-F295 PolarHBondContact N-O 2.91Å; D283-K296 VanDerWaalsContact OD1-CD 3.26Å; D283-K296 WeakPolarHBondContact OD1-CD 3.2Å; D283-K296 IonicContact OD1-NZ 3.05Å; D283-K296 PolarHBondContact OD1-NZ 2.92Å; D283-G297 PolarHBondContact OD2-N 3.24Å; D283-L326 CarbonylContact C-O 3.53Å; D283-L326 WeakPolarHBondContact CB-O 3.32Å; D283-D327 CarbonylContact O-C 3.58Å |
| 284 | A | 97.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 153 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F295 L326 A329 D426 | A284-F295 HydrophobicContact CB-CB 4.14Å; A284-F295 HydrophobicContact CB-CD2 4.11Å; A284-F295 HydrophobicContact CB-CG 4.47Å; A284-F295 WeakPolarHBondContact O-CB 3.26Å; A284-F295 WeakPolarHBondContact O-CD2 3.36Å; A284-F295 PolarHBondContact O-N 3.46Å; A284-L326 HydrophobicContact CB-CB 3.92Å; A284-L326 HydrophobicContact CB-CD1 4.47Å; A284-A329 HydrophobicContact CB-CB 3.94Å; A284-D426 VanDerWaalsContact C-OD2 3.26Å; A284-D426 WeakPolarHBondContact CA-OD1 3.31Å; A284-D426 VanDerWaalsContact CA-OD2 3.23Å; A284-D426 WeakPolarHBondContact CA-OD2 3.32Å; A284-D426 PolarHBondContact N-OD2 3.38Å |
| 285 | I | 97.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.4 | 169.9 | -53.6 | 169.4 | 0 | 0 | 0 | 109.9 | F282 V292 M293 F294 D426 F428 F437 | F282-I285 HydrophobicContact CB-CD1 4.21Å; F282-I285 HydrophobicContact CB-CG1 3.95Å; F282-I285 HydrophobicContact CD2-CD1 3.7Å; F282-I285 HydrophobicContact CD2-CG1 4.22Å; F282-I285 HydrophobicContact CE2-CD1 4.43Å; F282-I285 HydrophobicContact CG-CD1 4.18Å; F282-I285 HydrophobicContact CG-CG1 4.2Å; I285-V292 HydrophobicContact CG2-CG1 3.9Å; I285-M293 WeakPolarHBondContact CA-O 3.3Å; I285-F294 HydrophobicContact CD1-CD1 3.6Å; I285-F294 HydrophobicContact CD1-CE1 3.72Å; I285-F294 HydrophobicContact CG1-CD1 3.67Å; I285-F294 HydrophobicContact CG1-CE1 4.2Å; I285-F294 HydrophobicContact CG1-CG 4.4Å; I285-F294 HydrophobicContact CG2-CD1 4.03Å; I285-F294 HydrophobicContact CG2-CE1 4.08Å; I285-F294 HydrophobicContact CG2-CG 4.44Å; I285-D426 HydrophobicContact CB-CB 4.27Å; I285-D426 HydrophobicContact CD1-CB 3.74Å; I285-D426 HydrophobicContact CG1-CB 3.92Å; I285-D426 VanDerWaalsContact N-CG 3.32Å; I285-D426 PolarHBondContact N-OD1 3.47Å; I285-D426 PolarHBondContact N-OD2 3.16Å; I285-F428 HydrophobicContact CB-CD1 4.34Å; I285-F428 HydrophobicContact CG2-CB 4.34Å; I285-F428 HydrophobicContact CG2-CD1 3.42Å; I285-F428 VanDerWaalsContact CG2-CD1 3.42Å; I285-F428 HydrophobicContact CG2-CE1 3.92Å; I285-F428 HydrophobicContact CG2-CG 4.1Å; I285-F437 HydrophobicContact CD1-CB 4.43Å; I285-F437 HydrophobicContact CD1-CD1 3.8Å; I285-F437 HydrophobicContact CD1-CD2 3.52Å; I285-F437 HydrophobicContact CD1-CE1 3.82Å; I285-F437 HydrophobicContact CD1-CE2 3.59Å; I285-F437 HydrophobicContact CD1-CG 3.64Å; I285-F437 HydrophobicContact CD1-CZ 3.73Å |
| 286 | T | 97.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 160 | 172.2 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | M293 F295 A329 Y330 E331 V338 F340 | T286-M293 PolarHBondContact N-O 3.37Å; T286-M293 PolarHBondContact O-N 3.49Å; T286-F295 HydrophobicContact CG2-CE2 3.81Å; T286-F295 HydrophobicContact CG2-CZ 4.47Å; T286-A329 HydrophobicContact CG2-CB 3.9Å; T286-Y330 VanDerWaalsContact OG1-CA 3.24Å; T286-Y330 WeakPolarHBondContact OG1-CA 3.47Å; T286-E331 PolarHBondContact OG1-N 3.36Å; T286-V338 HydrophobicContact CG2-CG1 3.81Å; T286-F340 HydrophobicContact CG2-CE1 4.45Å |
| 287 | T | 95.1 | Very high | 92.4 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 156.6 | 158.4 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | E291 E331 F428 Q429 | T287-E291 CarbonylContact C-O 3.5Å; T287-E291 WeakPolarHBondContact CA-O 3.32Å; T287-E331 VanDerWaalsContact CB-OE2 3.23Å; T287-E331 WeakPolarHBondContact CB-OE2 3.41Å; T287-E331 WeakPolarHBondContact O-CB 3.39Å; T287-E331 WeakPolarHBondContact OG1-CB 3.19Å; T287-E331 PolarHBondContact OG1-OE2 2.91Å; T287-F428 HydrophobicContact CG2-CD2 4.01Å; T287-Q429 WeakPolarHBondContact CG2-O 3.48Å |
| 288 | F | 91.8 | Very high | 92.6 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 106.8 | 166.8 | -176.9 | -125.8 | 0 | 0 | 0 | 109.5 | G290 E291 M293 W319 E331 V338 T351 | F288-G290 PolarHBondContact O-N 2.8Å; F288-G290 VanDerWaalsContact O-N 3.17Å; F288-E291 PolarHBondContact N-O 3.01Å; F288-E291 WeakPolarHBondContact O-CB 3.46Å; F288-E291 PolarHBondContact O-N 2.94Å; F288-M293 HydrophobicContact CB-CG 4.23Å; F288-M293 HydrophobicContact CB-SD 3.76Å; F288-M293 HydrophobicContact CD1-SD 3.93Å; F288-M293 HydrophobicContact CG-SD 4.16Å; F288-W319 HydrophobicContact CE1-CZ2 4.22Å; F288-W319 HydrophobicContact CZ-CZ2 4.27Å; F288-E331 WeakPolarHBondContact CA-OE2 3.48Å; F288-E331 PolarHBondContact N-OE2 2.96Å; F288-V338 HydrophobicContact CD2-CG2 3.28Å; F288-V338 HydrophobicContact CE2-CG2 3.78Å; F288-V338 HydrophobicContact CG-CG2 4.24Å; F288-T351 WeakPolarHBondContact CZ-O 3.48Å |
| 289 | R | 87.9 | Confident | 93.1 | Very high | 130 Ų | 130 | 27.8 Ų | 27.8 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.3 | 178.1 | -63.2 | -177 | 167.7 | 179 | -1.3 | 113.4 | E331 D336 T351 | R289-E331 PolarHBondContact N-OE1 3.1Å; R289-E331 PolarHBondContact N-OE2 3.34Å; R289-D336 IonicContact CZ-OD1 2.78Å; R289-D336 IonicContact NE-OD1 3.78Å; R289-D336 PolarHBondContact NE-OD1 3.22Å; R289-D336 IonicContact NH2-OD1 2.74Å; R289-D336 PolarHBondContact NH2-OD1 2.87Å; R289-D336 IonicContact NH2-OD2 2.73Å; R289-D336 PolarHBondContact NH2-OD2 2.96Å; R289-T351 PolarHBondContact NH2-OG1 2.99Å |
| 290 | G | 86.8 | Confident | 93.6 | Very high | 62 Ų | 62 | 25.5 Ų | 25.5 | 64% | 0.639 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F288 | F288-G290 PolarHBondContact O-N 2.8Å; F288-G290 VanDerWaalsContact O-N 3.17Å |
| 291 | E | 91.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 25 Ų | 25 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 159.1 | 166.2 | -50 | -161.8 | 140.4 | 0 | 0 | 110 | T287 F288 R302 N304 | T287-E291 CarbonylContact C-O 3.5Å; T287-E291 WeakPolarHBondContact CA-O 3.32Å; F288-E291 PolarHBondContact N-O 3.01Å; F288-E291 WeakPolarHBondContact O-CB 3.46Å; F288-E291 PolarHBondContact O-N 2.94Å; E291-R302 WeakPolarHBondContact OE2-CD 3.18Å; E291-R302 IonicContact OE2-NH1 3.66Å; E291-R302 PolarHBondContact OE2-NH1 3.1Å; E291-N304 HydrophobicContact CG-CB 4.22Å; E291-N304 PolarHBondContact OE1-ND2 2.93Å |
| 292 | V | 94.8 | Very high | 94 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.1 | 167.5 | -173.5 | 0 | 0 | 0 | 0 | 107.4 | I285 F294 R302 V303 F428 K430 | I285-V292 HydrophobicContact CG2-CG1 3.9Å; V292-F294 HydrophobicContact CB-CE2 4.14Å; V292-F294 HydrophobicContact CG1-CD2 4.23Å; V292-F294 HydrophobicContact CG1-CE2 3.58Å; V292-F294 HydrophobicContact CG1-CZ 3.84Å; V292-R302 WeakPolarHBondContact O-CA 3.49Å; V292-V303 HydrophobicContact CB-CG2 3.78Å; V292-V303 HydrophobicContact CG2-CG2 4.5Å; V292-V303 PolarHBondContact N-O 3.15Å; V292-V303 PolarHBondContact O-N 2.98Å; V292-F428 HydrophobicContact CG1-CD1 4.31Å; V292-F428 HydrophobicContact CG1-CD2 4.26Å; V292-F428 HydrophobicContact CG1-CE1 3.99Å; V292-F428 HydrophobicContact CG1-CE2 3.96Å; V292-F428 HydrophobicContact CG1-CG 4.42Å; V292-F428 HydrophobicContact CG1-CZ 3.8Å; V292-F428 HydrophobicContact CG2-CD2 4.38Å; V292-F428 HydrophobicContact CG2-CE2 3.79Å; V292-F428 HydrophobicContact CG2-CZ 4.19Å; V292-K430 HydrophobicContact CG2-CD 4.1Å |
| 293 | M | 95.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.6 | 179.7 | -61.7 | -170.9 | 72.3 | 0 | 0 | 109.3 | I285 T286 F288 F295 Y300 R302 L318 W319 | I285-M293 WeakPolarHBondContact CA-O 3.3Å; T286-M293 PolarHBondContact N-O 3.37Å; T286-M293 PolarHBondContact O-N 3.49Å; F288-M293 HydrophobicContact CB-CG 4.23Å; F288-M293 HydrophobicContact CB-SD 3.76Å; F288-M293 HydrophobicContact CD1-SD 3.93Å; F288-M293 HydrophobicContact CG-SD 4.16Å; M293-F295 HydrophobicContact CB-CE2 3.69Å; M293-F295 HydrophobicContact CB-CZ 3.74Å; M293-F295 HydrophobicContact CE-CE1 4.25Å; M293-F295 HydrophobicContact CE-CZ 3.98Å; M293-F295 HydrophobicContact SD-CZ 4.27Å; M293-Y300 HydrophobicContact CE-CD1 4.3Å; M293-Y300 HydrophobicContact CE-CD2 3.51Å; M293-Y300 HydrophobicContact CE-CE2 3.98Å; M293-Y300 HydrophobicContact CE-CG 3.7Å; M293-R302 HydrophobicContact CG-CB 4.27Å; M293-L318 HydrophobicContact CE-CD1 3.7Å; M293-W319 HydrophobicContact CE-CH2 3.83Å; M293-W319 HydrophobicContact CE-CZ3 4.07Å; M293-W319 HydrophobicContact SD-CH2 3.85Å |
| 294 | F | 96.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.3 | 175.3 | -60.9 | -100.8 | 0 | 0 | 0 | 108.2 | F282 I285 V292 Y300 I301 V303 F437 W461 F462 | F282-F294 HydrophobicContact CD1-CB 3.73Å; F282-F294 HydrophobicContact CD1-CD1 4.07Å; F282-F294 HydrophobicContact CD1-CG 4.36Å; F282-F294 AromaticContact CD2-CD1 3.72Å; F282-F294 HydrophobicContact CD2-CD1 3.72Å; F282-F294 HydrophobicContact CD2-CE1 4.36Å; F282-F294 HydrophobicContact CE1-CB 3.76Å; F282-F294 AromaticContact CE1-CD1 3.89Å; F282-F294 HydrophobicContact CE1-CD1 3.89Å; F282-F294 HydrophobicContact CE1-CG 4.13Å; F282-F294 AromaticContact CE2-CD1 3.49Å; F282-F294 HydrophobicContact CE2-CD1 3.49Å; F282-F294 VanDerWaalsContact CE2-CD1 3.49Å; F282-F294 AromaticContact CE2-CE1 3.92Å; F282-F294 HydrophobicContact CE2-CE1 3.92Å; F282-F294 HydrophobicContact CE2-CG 4.48Å; F282-F294 HydrophobicContact CG-CB 4.28Å; F282-F294 AromaticContact CG-CD1 3.98Å; F282-F294 HydrophobicContact CG-CD1 3.98Å; F282-F294 HydrophobicContact CZ-CB 4.32Å; F282-F294 AromaticContact CZ-CD1 3.59Å; F282-F294 HydrophobicContact CZ-CD1 3.59Å; F282-F294 HydrophobicContact CZ-CE1 4.23Å; F282-F294 HydrophobicContact CZ-CG 4.19Å; I285-F294 HydrophobicContact CD1-CD1 3.6Å; I285-F294 HydrophobicContact CD1-CE1 3.72Å; I285-F294 HydrophobicContact CG1-CD1 3.67Å; I285-F294 HydrophobicContact CG1-CE1 4.2Å; I285-F294 HydrophobicContact CG1-CG 4.4Å; I285-F294 HydrophobicContact CG2-CD1 4.03Å; I285-F294 HydrophobicContact CG2-CE1 4.08Å; I285-F294 HydrophobicContact CG2-CG 4.44Å; V292-F294 HydrophobicContact CB-CE2 4.14Å; V292-F294 HydrophobicContact CG1-CD2 4.23Å; V292-F294 HydrophobicContact CG1-CE2 3.58Å; V292-F294 HydrophobicContact CG1-CZ 3.84Å; F294-Y300 CarbonylContact O-C 3.4Å; F294-Y300 WeakPolarHBondContact O-CA 3.31Å; F294-I301 HydrophobicContact CB-CB 4.33Å; F294-I301 PolarHBondContact N-O 2.99Å; F294-I301 PolarHBondContact O-N 3.03Å; F294-V303 HydrophobicContact CE2-CG2 3.76Å; F294-F437 HydrophobicContact CE1-CE1 4.19Å; F294-F437 HydrophobicContact CE1-CZ 4.02Å; F294-W461 HydrophobicContact CE1-CG 4.36Å; F294-W461 HydrophobicContact CE2-CB 4.12Å; F294-W461 HydrophobicContact CE2-CG 4.38Å; F294-W461 HydrophobicContact CZ-CB 3.69Å; F294-W461 AromaticContact CZ-CD1 3.76Å; F294-W461 HydrophobicContact CZ-CD2 4.13Å; F294-W461 AromaticContact CZ-CG 3.57Å; F294-W461 HydrophobicContact CZ-CG 3.57Å; F294-F462 HydrophobicContact CB-CZ 4.21Å; F294-F462 HydrophobicContact CD1-CZ 4.11Å; F294-F462 AromaticContact CD2-CE1 3.57Å; F294-F462 HydrophobicContact CD2-CE1 3.57Å; F294-F462 AromaticContact CD2-CZ 3.78Å; F294-F462 HydrophobicContact CD2-CZ 3.78Å; F294-F462 HydrophobicContact CE1-CZ 4.44Å; F294-F462 AromaticContact CE2-CE1 3.74Å; F294-F462 HydrophobicContact CE2-CE1 3.74Å; F294-F462 HydrophobicContact CE2-CZ 4.16Å; F294-F462 HydrophobicContact CG-CE1 4.07Å; F294-F462 AromaticContact CG-CZ 3.77Å; F294-F462 HydrophobicContact CG-CZ 3.77Å; F294-F462 HydrophobicContact CZ-CE1 4.35Å; F294-F462 HydrophobicContact CZ-CZ 4.48Å |
| 295 | F | 96.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.6 | -177.1 | -61.8 | -85.9 | 0 | 0 | 0 | 110.4 | D283 A284 T286 M293 F299 I315 W319 L326 F340 | D283-F295 PolarHBondContact N-O 2.91Å; A284-F295 HydrophobicContact CB-CB 4.14Å; A284-F295 HydrophobicContact CB-CD2 4.11Å; A284-F295 HydrophobicContact CB-CG 4.47Å; A284-F295 WeakPolarHBondContact O-CB 3.26Å; A284-F295 WeakPolarHBondContact O-CD2 3.36Å; A284-F295 PolarHBondContact O-N 3.46Å; T286-F295 HydrophobicContact CG2-CE2 3.81Å; T286-F295 HydrophobicContact CG2-CZ 4.47Å; M293-F295 HydrophobicContact CB-CE2 3.69Å; M293-F295 HydrophobicContact CB-CZ 3.74Å; M293-F295 HydrophobicContact CE-CE1 4.25Å; M293-F295 HydrophobicContact CE-CZ 3.98Å; M293-F295 HydrophobicContact SD-CZ 4.27Å; F295-F299 WeakPolarHBondContact CA-O 3.37Å; F295-I315 HydrophobicContact CD1-CD1 3.78Å; F295-I315 HydrophobicContact CD1-CG1 3.85Å; F295-I315 HydrophobicContact CE1-CG1 4.23Å; F295-W319 AromaticContact CE1-CZ3 3.93Å; F295-W319 HydrophobicContact CE1-CZ3 3.93Å; F295-W319 HydrophobicContact CZ-CH2 4.49Å; F295-W319 AromaticContact CZ-CZ3 3.99Å; F295-W319 HydrophobicContact CZ-CZ3 3.99Å; F295-L326 HydrophobicContact CB-CD1 4.19Å; F295-L326 HydrophobicContact CD1-CD1 3.99Å; F295-L326 HydrophobicContact CD2-CD1 4.48Å; F295-L326 HydrophobicContact CG-CD1 3.95Å; F295-F340 HydrophobicContact CD2-CE1 4.46Å; F295-F340 HydrophobicContact CE1-CE1 4.16Å; F295-F340 AromaticContact CE2-CE1 3.78Å; F295-F340 HydrophobicContact CE2-CE1 3.78Å; F295-F340 HydrophobicContact CE2-CZ 4.48Å; F295-F340 AromaticContact CZ-CE1 3.6Å; F295-F340 HydrophobicContact CZ-CE1 3.6Å; F295-F340 AromaticContact CZ-CZ 3.96Å; F295-F340 HydrophobicContact CZ-CZ 3.96Å |
| 296 | K | 94.3 | Very high | 91.5 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 119.7 | 176 | -174.2 | 56.8 | 171.6 | -177.1 | 0 | 110.3 | P273 N281 D283 R298 F299 | P273-K296 HydrophobicContact CB-CB 4.45Å; P273-K296 HydrophobicContact CB-CG 4.21Å; P273-K296 HydrophobicContact CG-CB 4.28Å; P273-K296 HydrophobicContact CG-CG 4.41Å; N281-K296 WeakPolarHBondContact O-CD 3.41Å; N281-K296 VanDerWaalsContact OD1-CE 3.27Å; N281-K296 WeakPolarHBondContact OD1-CE 3.14Å; N281-K296 PolarHBondContact OD1-NZ 3.34Å; D283-K296 VanDerWaalsContact OD1-CD 3.26Å; D283-K296 WeakPolarHBondContact OD1-CD 3.2Å; D283-K296 IonicContact OD1-NZ 3.05Å; D283-K296 PolarHBondContact OD1-NZ 2.92Å; K296-R298 PolarHBondContact O-N 2.85Å; K296-F299 PolarHBondContact N-O 2.66Å; K296-F299 WeakPolarHBondContact O-CA 3.14Å; K296-F299 WeakPolarHBondContact O-CB 3.42Å; K296-F299 WeakPolarHBondContact O-CD2 3.18Å; K296-F299 PolarHBondContact O-N 3.09Å |
| 297 | G | 92.3 | Very high | 90.5 | Very high | 25 Ų | 25 | 45 Ų | 45 | 26% | 0.258 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | -121.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D283 F299 G324 K325 | D283-G297 PolarHBondContact OD2-N 3.24Å; G297-F299 VanDerWaalsContact C-N 3.33Å; G297-G324 CarbonylContact O-C 3.58Å; G297-G324 WeakPolarHBondContact O-CA 3.38Å; G297-K325 PolarHBondContact O-N 2.74Å |
| 298 | R | 91.9 | Very high | 89.7 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.6 | 178.6 | -54.9 | -173.2 | -61.4 | 159.2 | 3 | 113.2 | K296 L314 I315 | K296-R298 PolarHBondContact O-N 2.85Å; R298-L314 HydrophobicContact CB-CD2 4.2Å; R298-L314 WeakPolarHBondContact O-CA 3.33Å; R298-L314 WeakPolarHBondContact O-CD2 3.11Å; R298-I315 WeakPolarHBondContact O-CG1 3.39Å; R298-I315 PolarHBondContact O-N 3.42Å |
| 299 | F | 94.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 153 | -172.8 | -52.7 | -90.8 | 0 | 0 | 0 | 112 | I229 T272 P273 F295 K296 G297 L312 N313 L314 | I229-F299 HydrophobicContact CG2-CE1 4.17Å; T272-F299 HydrophobicContact CG2-CD1 4.36Å; T272-F299 HydrophobicContact CG2-CE1 3.78Å; T272-F299 HydrophobicContact CG2-CZ 4.02Å; T272-F299 WeakPolarHBondContact OG1-CZ 3.15Å; P273-F299 HydrophobicContact CG-CB 3.9Å; P273-F299 HydrophobicContact CG-CD2 3.89Å; P273-F299 HydrophobicContact CG-CG 3.91Å; F295-F299 WeakPolarHBondContact CA-O 3.37Å; K296-F299 PolarHBondContact N-O 2.66Å; K296-F299 WeakPolarHBondContact O-CA 3.14Å; K296-F299 WeakPolarHBondContact O-CB 3.42Å; K296-F299 WeakPolarHBondContact O-CD2 3.18Å; K296-F299 PolarHBondContact O-N 3.09Å; G297-F299 VanDerWaalsContact C-N 3.33Å; F299-L312 HydrophobicContact CB-CD1 3.97Å; F299-L312 HydrophobicContact CD1-CD1 4.25Å; F299-L312 HydrophobicContact CG-CD1 4.37Å; F299-N313 CarbonylContact C-O 3.52Å; F299-N313 VanDerWaalsContact CA-O 3.24Å; F299-N313 WeakPolarHBondContact CA-O 3.29Å; F299-L314 HydrophobicContact CD1-CD2 3.47Å; F299-L314 VanDerWaalsContact CD1-CD2 3.47Å; F299-L314 HydrophobicContact CD1-CG 4.33Å; F299-L314 HydrophobicContact CE1-CD2 3.43Å; F299-L314 VanDerWaalsContact CE1-CD2 3.43Å; F299-L314 HydrophobicContact CE1-CG 4.4Å; F299-L314 HydrophobicContact CG-CD2 4.14Å; F299-L314 HydrophobicContact CZ-CD2 4.08Å |
| 300 | Y | 94.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.6 | 158.9 | 73.2 | -95.3 | 0 | 0 | 0 | 110.1 | M293 F294 R302 L312 N313 L314 L318 | M293-Y300 HydrophobicContact CE-CD1 4.3Å; M293-Y300 HydrophobicContact CE-CD2 3.51Å; M293-Y300 HydrophobicContact CE-CE2 3.98Å; M293-Y300 HydrophobicContact CE-CG 3.7Å; F294-Y300 CarbonylContact O-C 3.4Å; F294-Y300 WeakPolarHBondContact O-CA 3.31Å; Y300-R302 HydrophobicContact CD2-CB 4.21Å; Y300-R302 HydrophobicContact CD2-CG 4.44Å; Y300-R302 HydrophobicContact CE2-CB 4.24Å; Y300-R302 HydrophobicContact CE2-CG 4.02Å; Y300-L312 WeakPolarHBondContact O-CA 3.38Å; Y300-N313 HydrophobicContact CD1-CB 4.34Å; Y300-N313 HydrophobicContact CE1-CB 3.56Å; Y300-N313 HydrophobicContact CE2-CB 4Å; Y300-N313 PolarHBondContact N-O 3.29Å; Y300-N313 PolarHBondContact O-N 3.24Å; Y300-N313 VanDerWaalsContact OH-CB 3.26Å; Y300-N313 WeakPolarHBondContact OH-CB 3.26Å; Y300-L314 VanDerWaalsContact CE1-O 3.28Å; Y300-L314 WeakPolarHBondContact CE1-O 3.36Å; Y300-L318 HydrophobicContact CD1-CD1 4.01Å; Y300-L318 HydrophobicContact CE1-CD1 3.35Å; Y300-L318 HydrophobicContact CE1-CG 3.64Å; Y300-L318 HydrophobicContact CE2-CD1 4.08Å; Y300-L318 VanDerWaalsContact CZ-CD1 3.41Å |
| 301 | I | 94.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.6 | 167.7 | -57.2 | 163.8 | 0 | 0 | 0 | 106.3 | P275 L280 F282 F294 P310 E311 L312 F462 | P275-I301 HydrophobicContact CB-CD1 4.43Å; P275-I301 HydrophobicContact CG-CD1 4.01Å; P275-I301 HydrophobicContact CG-CG1 4.44Å; P275-I301 HydrophobicContact CG-CG2 4.38Å; L280-I301 HydrophobicContact CD2-CD1 4.35Å; F282-I301 HydrophobicContact CE1-CD1 4.49Å; F294-I301 HydrophobicContact CB-CB 4.33Å; F294-I301 PolarHBondContact N-O 2.99Å; F294-I301 PolarHBondContact O-N 3.03Å; I301-P310 HydrophobicContact CG2-CB 3.66Å; I301-E311 CarbonylContact C-O 3.57Å; I301-E311 VanDerWaalsContact CA-O 3.32Å; I301-E311 WeakPolarHBondContact CA-O 3.42Å; I301-L312 HydrophobicContact CD1-CD1 4.24Å; I301-L312 HydrophobicContact CG1-CD1 3.53Å; I301-F462 HydrophobicContact CB-CE1 4.2Å; I301-F462 HydrophobicContact CB-CZ 4.2Å; I301-F462 HydrophobicContact CD1-CE2 4.27Å; I301-F462 HydrophobicContact CD1-CZ 4.09Å; I301-F462 HydrophobicContact CG2-CD1 3.98Å; I301-F462 HydrophobicContact CG2-CE1 3.47Å; I301-F462 VanDerWaalsContact CG2-CE1 3.47Å; I301-F462 HydrophobicContact CG2-CZ 3.86Å |
| 302 | R | 92.1 | Very high | 89.2 | Confident | 63 Ų | 63 | 48 Ų | 48 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.2 | 176 | 66.1 | 165.6 | -179.1 | -174.4 | -8 | 111.9 | E291 V292 M293 Y300 M307 E311 | E291-R302 WeakPolarHBondContact OE2-CD 3.18Å; E291-R302 IonicContact OE2-NH1 3.66Å; E291-R302 PolarHBondContact OE2-NH1 3.1Å; V292-R302 WeakPolarHBondContact O-CA 3.49Å; M293-R302 HydrophobicContact CG-CB 4.27Å; Y300-R302 HydrophobicContact CD2-CB 4.21Å; Y300-R302 HydrophobicContact CD2-CG 4.44Å; Y300-R302 HydrophobicContact CE2-CB 4.24Å; Y300-R302 HydrophobicContact CE2-CG 4.02Å; R302-M307 HydrophobicContact CG-CE 3.99Å; R302-M307 WeakPolarHBondContact O-CE 3.44Å; R302-E311 HydrophobicContact CG-CB 3.83Å; R302-E311 IonicContact CZ-OE1 3.89Å; R302-E311 IonicContact CZ-OE2 2.74Å; R302-E311 PolarHBondContact N-O 2.94Å; R302-E311 VanDerWaalsContact NE-CD 3.27Å; R302-E311 IonicContact NE-OE1 2.72Å; R302-E311 IonicContact NE-OE2 2.8Å; R302-E311 PolarHBondContact NE-OE2 2.92Å; R302-E311 VanDerWaalsContact NH2-CD 3.25Å; R302-E311 IonicContact NH2-OE1 2.75Å; R302-E311 PolarHBondContact NH2-OE1 3.01Å; R302-E311 VanDerWaalsContact NH2-OE1 3.13Å; R302-E311 IonicContact NH2-OE2 3.36Å; R302-E311 PolarHBondContact NH2-OE2 3.36Å; R302-E311 PolarHBondContact O-N 3.16Å; R302-E311 VanDerWaalsContact O-N 3.12Å |
| 303 | V | 91.7 | Very high | 89 | Confident | 14 Ų | 14 | 49 Ų | 49 | 9% | 0.085 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.1 | 173.4 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | V292 F294 P310 F462 | V292-V303 HydrophobicContact CB-CG2 3.78Å; V292-V303 HydrophobicContact CG2-CG2 4.5Å; V292-V303 PolarHBondContact N-O 3.15Å; V292-V303 PolarHBondContact O-N 2.98Å; F294-V303 HydrophobicContact CE2-CG2 3.76Å; V303-P310 HydrophobicContact CG1-CB 4.09Å; V303-F462 HydrophobicContact CG1-CD1 3.52Å; V303-F462 HydrophobicContact CG1-CE1 3.78Å |
| 304 | N | 83.9 | Confident | 88.8 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | trans | -150.4 | 143.4 | -177.7 | 179.7 | -32.4 | 0 | 0 | 0 | 106.5 | E291 F306 M307 | E291-N304 HydrophobicContact CG-CB 4.22Å; E291-N304 PolarHBondContact OE1-ND2 2.93Å; N304-F306 PolarHBondContact O-N 3.29Å; N304-F306 VanDerWaalsContact OD1-CD2 3.31Å; N304-F306 WeakPolarHBondContact OD1-CD2 3.3Å; N304-F306 PolarHBondContact OD1-N 3.24Å; N304-F306 VanDerWaalsContact OD1-N 3.08Å; N304-M307 HydrophobicContact CB-CE 3.72Å; N304-M307 HydrophobicContact CB-CG 4.03Å; N304-M307 HydrophobicContact CB-SD 4.32Å; N304-M307 VanDerWaalsContact N-CE 3.32Å; N304-M307 PolarHBondContact O-N 3.16Å | ||
| 305 | R | 79.5 | Confident | 88.6 | Confident | 210 Ų | 210 | 49.2 Ų | 49.2 | 79% | 0.792 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -20.3 | 179.3 | 68.7 | 179.1 | -178.1 | -176.9 | -2.1 | 114.5 | ||
| 306 | F | 79 | Confident | 88.2 | Confident | 156 Ų | 156 | 49.5 Ų | 49.5 | 68% | 0.684 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | -6.2 | 179.6 | -57 | -63.2 | 0 | 0 | 0 | 114 | N304 | N304-F306 PolarHBondContact O-N 3.29Å; N304-F306 VanDerWaalsContact OD1-CD2 3.31Å; N304-F306 WeakPolarHBondContact OD1-CD2 3.3Å; N304-F306 PolarHBondContact OD1-N 3.24Å; N304-F306 VanDerWaalsContact OD1-N 3.08Å |
| 307 | M | 76.4 | Confident | 87.7 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | trans | -89.9 | 130.7 | 176.7 | -67 | -170.3 | -48.3 | 0 | 0 | 109.7 | R302 N304 | R302-M307 HydrophobicContact CG-CE 3.99Å; R302-M307 WeakPolarHBondContact O-CE 3.44Å; N304-M307 HydrophobicContact CB-CE 3.72Å; N304-M307 HydrophobicContact CB-CG 4.03Å; N304-M307 HydrophobicContact CB-SD 4.32Å; N304-M307 VanDerWaalsContact N-CE 3.32Å; N304-M307 PolarHBondContact O-N 3.16Å | ||
| 308 | A | 76.9 | Confident | 87.5 | Confident | 82 Ų | 82 | 49.2 Ų | 49.2 | 68% | 0.678 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -71.9 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N463 | A308-N463 PolarHBondContact O-ND2 3.28Š|
| 309 | E | 81.5 | Confident | 87.4 | Confident | 156 Ų | 156 | 48 Ų | 48 | 73% | 0.729 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -129.4 | 149.8 | -176.7 | -69.7 | 174 | -165.6 | 0 | 0 | 109.7 | ||
| 310 | P | 88.2 | Confident | 86.9 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | trans | -63.8 | 143.1 | 172.2 | 30.1 | -37.4 | 0 | 0 | 0 | 110.8 | P275 I301 V303 F462 | P275-P310 HydrophobicContact CB-CB 4.46Å; P275-P310 HydrophobicContact CB-CG 3.85Å; P275-P310 HydrophobicContact CG-CG 4.09Å; I301-P310 HydrophobicContact CG2-CB 3.66Å; V303-P310 HydrophobicContact CG1-CB 4.09Å; P310-F462 HydrophobicContact CB-CB 4.38Å; P310-F462 HydrophobicContact CB-CD1 3.86Å; P310-F462 HydrophobicContact CB-CG 4.36Å; P310-F462 WeakPolarHBondContact CD-O 3.3Å; P310-F462 HydrophobicContact CG-CB 4.06Å; P310-F462 HydrophobicContact CG-CD1 4.44Å; P310-F462 HydrophobicContact CG-CG 4.46Å | ||
| 311 | E | 88.3 | Confident | 86.3 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 115.6 | 174.3 | -179.6 | -176.2 | 144.8 | 0 | 0 | 110 | I301 R302 | I301-E311 CarbonylContact C-O 3.57Å; I301-E311 VanDerWaalsContact CA-O 3.32Å; I301-E311 WeakPolarHBondContact CA-O 3.42Å; R302-E311 HydrophobicContact CG-CB 3.83Å; R302-E311 IonicContact CZ-OE1 3.89Å; R302-E311 IonicContact CZ-OE2 2.74Å; R302-E311 PolarHBondContact N-O 2.94Å; R302-E311 VanDerWaalsContact NE-CD 3.27Å; R302-E311 IonicContact NE-OE1 2.72Å; R302-E311 IonicContact NE-OE2 2.8Å; R302-E311 PolarHBondContact NE-OE2 2.92Å; R302-E311 VanDerWaalsContact NH2-CD 3.25Å; R302-E311 IonicContact NH2-OE1 2.75Å; R302-E311 PolarHBondContact NH2-OE1 3.01Å; R302-E311 VanDerWaalsContact NH2-OE1 3.13Å; R302-E311 IonicContact NH2-OE2 3.36Å; R302-E311 PolarHBondContact NH2-OE2 3.36Å; R302-E311 PolarHBondContact O-N 3.16Å; R302-E311 VanDerWaalsContact O-N 3.12Å |
| 312 | L | 91.6 | Very high | 86.1 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.3 | 170.4 | 179 | 79.3 | 0 | 0 | 0 | 109.8 | I229 T272 P273 F299 Y300 I301 | I229-L312 HydrophobicContact CG2-CD2 4.19Å; T272-L312 HydrophobicContact CG2-CD2 3.6Å; P273-L312 HydrophobicContact CG-CD1 3.81Å; F299-L312 HydrophobicContact CB-CD1 3.97Å; F299-L312 HydrophobicContact CD1-CD1 4.25Å; F299-L312 HydrophobicContact CG-CD1 4.37Å; Y300-L312 WeakPolarHBondContact O-CA 3.38Å; I301-L312 HydrophobicContact CD1-CD1 4.24Å; I301-L312 HydrophobicContact CG1-CD1 3.53Å |
| 313 | N | 90.5 | Very high | 86 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | -178.8 | 169.6 | -132.2 | -57 | 0 | 0 | 0 | 111.4 | I229 F299 Y300 I317 | I229-N313 VanDerWaalsContact CD1-OD1 3.3Å; I229-N313 WeakPolarHBondContact CD1-OD1 3.15Å; F299-N313 CarbonylContact C-O 3.52Å; F299-N313 VanDerWaalsContact CA-O 3.24Å; F299-N313 WeakPolarHBondContact CA-O 3.29Å; Y300-N313 HydrophobicContact CD1-CB 4.34Å; Y300-N313 HydrophobicContact CE1-CB 3.56Å; Y300-N313 HydrophobicContact CE2-CB 4Å; Y300-N313 PolarHBondContact N-O 3.29Å; Y300-N313 PolarHBondContact O-N 3.24Å; Y300-N313 VanDerWaalsContact OH-CB 3.26Å; Y300-N313 WeakPolarHBondContact OH-CB 3.26Å; N313-I317 WeakPolarHBondContact OD1-CD1 3.47Å |
| 314 | L | 90.9 | Very high | 86 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.7 | 176 | -64.5 | 167 | 0 | 0 | 0 | 112.2 | I229 T238 R298 F299 Y300 G316 I317 | I229-L314 HydrophobicContact CG1-CD1 4.41Å; I229-L314 HydrophobicContact CG1-CG 4.5Å; T238-L314 HydrophobicContact CG2-CD1 3.31Å; R298-L314 HydrophobicContact CB-CD2 4.2Å; R298-L314 WeakPolarHBondContact O-CA 3.33Å; R298-L314 WeakPolarHBondContact O-CD2 3.11Å; F299-L314 HydrophobicContact CD1-CD2 3.47Å; F299-L314 VanDerWaalsContact CD1-CD2 3.47Å; F299-L314 HydrophobicContact CD1-CG 4.33Å; F299-L314 HydrophobicContact CE1-CD2 3.43Å; F299-L314 VanDerWaalsContact CE1-CD2 3.43Å; F299-L314 HydrophobicContact CE1-CG 4.4Å; F299-L314 HydrophobicContact CG-CD2 4.14Å; F299-L314 HydrophobicContact CZ-CD2 4.08Å; Y300-L314 VanDerWaalsContact CE1-O 3.28Å; Y300-L314 WeakPolarHBondContact CE1-O 3.36Å; L314-G316 VanDerWaalsContact C-N 3.29Å; L314-G316 PolarHBondContact O-N 3.29Å; L314-I317 HydrophobicContact CB-CD1 4.02Å; L314-I317 HydrophobicContact CB-CG1 4.32Å; L314-I317 HydrophobicContact CD1-CD1 4.36Å; L314-I317 WeakPolarHBondContact O-CB 3.15Å; L314-I317 PolarHBondContact O-N 3.32Å |
| 315 | I | 92.2 | Very high | 86.4 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.8 | -45.6 | 177.3 | -65 | 171.3 | 0 | 0 | 0 | 110.7 | F295 R298 I317 L318 W319 L322 L326 | F295-I315 HydrophobicContact CD1-CD1 3.78Å; F295-I315 HydrophobicContact CD1-CG1 3.85Å; F295-I315 HydrophobicContact CE1-CG1 4.23Å; R298-I315 WeakPolarHBondContact O-CG1 3.39Å; R298-I315 PolarHBondContact O-N 3.42Å; I315-I317 PolarHBondContact O-N 3.44Å; I315-I317 VanDerWaalsContact O-N 3.11Å; I315-L318 PolarHBondContact O-N 2.73Å; I315-W319 HydrophobicContact CG2-CE3 4.33Å; I315-W319 PolarHBondContact O-N 2.99Å; I315-L322 HydrophobicContact CG2-CB 4.1Å; I315-L322 HydrophobicContact CG2-CD2 3.74Å; I315-L322 HydrophobicContact CG2-CG 4.2Å; I315-L326 HydrophobicContact CD1-CD1 4.3Å |
| 316 | G | 87.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -23.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L314 W319 P320 | L314-G316 VanDerWaalsContact C-N 3.29Å; L314-G316 PolarHBondContact O-N 3.29Å; G316-W319 CarbonylContact O-C 3.59Å; G316-P320 VanDerWaalsContact O-CA 3.28Å; G316-P320 WeakPolarHBondContact O-CA 3.36Å; G316-P320 VanDerWaalsContact O-CD 3.25Å; G316-P320 WeakPolarHBondContact O-CD 3.31Å; G316-P320 VanDerWaalsContact O-CG 3.29Å; G316-P320 WeakPolarHBondContact O-CG 3.32Å; G316-P320 VanDerWaalsContact O-N 3.14Å |
| 317 | I | 84.7 | Confident | 88.1 | Confident | 36 Ų | 36 | 40.2 Ų | 40.2 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71 | -33.1 | 176.4 | -71.5 | 166.3 | 0 | 0 | 0 | 111.4 | W239 N313 L314 I315 | W239-I317 HydrophobicContact CE3-CB 4.5Å; W239-I317 HydrophobicContact CE3-CG1 3.73Å; W239-I317 HydrophobicContact CZ3-CB 4.45Å; W239-I317 HydrophobicContact CZ3-CG1 3.78Å; N313-I317 WeakPolarHBondContact OD1-CD1 3.47Å; L314-I317 HydrophobicContact CB-CD1 4.02Å; L314-I317 HydrophobicContact CB-CG1 4.32Å; L314-I317 HydrophobicContact CD1-CD1 4.36Å; L314-I317 WeakPolarHBondContact O-CB 3.15Å; L314-I317 PolarHBondContact O-N 3.32Å; I315-I317 PolarHBondContact O-N 3.44Å; I315-I317 VanDerWaalsContact O-N 3.11Å |
| 318 | L | 87.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 38 Ų | 38 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -87.5 | -41.9 | 174.2 | -68.6 | -178.4 | 0 | 0 | 0 | 111.5 | M293 Y300 I315 | M293-L318 HydrophobicContact CE-CD1 3.7Å; Y300-L318 HydrophobicContact CD1-CD1 4.01Å; Y300-L318 HydrophobicContact CE1-CD1 3.35Å; Y300-L318 HydrophobicContact CE1-CG 3.64Å; Y300-L318 HydrophobicContact CE2-CD1 4.08Å; Y300-L318 VanDerWaalsContact CZ-CD1 3.41Å; I315-L318 PolarHBondContact O-N 2.73Å |
| 319 | W | 89.5 | Confident | 90.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | trans | -138.7 | 83 | -172.9 | -53.4 | -57.5 | 0 | 0 | 0 | 110.7 | F288 M293 F295 I315 G316 N321 L322 F340 V349 T351 V354 | F288-W319 HydrophobicContact CE1-CZ2 4.22Å; F288-W319 HydrophobicContact CZ-CZ2 4.27Å; M293-W319 HydrophobicContact CE-CH2 3.83Å; M293-W319 HydrophobicContact CE-CZ3 4.07Å; M293-W319 HydrophobicContact SD-CH2 3.85Å; F295-W319 AromaticContact CE1-CZ3 3.93Å; F295-W319 HydrophobicContact CE1-CZ3 3.93Å; F295-W319 HydrophobicContact CZ-CH2 4.49Å; F295-W319 AromaticContact CZ-CZ3 3.99Å; F295-W319 HydrophobicContact CZ-CZ3 3.99Å; I315-W319 HydrophobicContact CG2-CE3 4.33Å; I315-W319 PolarHBondContact O-N 2.99Å; G316-W319 CarbonylContact O-C 3.59Å; W319-N321 PolarHBondContact O-N 3.19Å; W319-L322 HydrophobicContact CB-CB 3.75Å; W319-L322 HydrophobicContact CB-CD2 4.36Å; W319-L322 HydrophobicContact CD2-CD2 4.43Å; W319-L322 HydrophobicContact CE3-CD2 3.82Å; W319-L322 WeakPolarHBondContact O-CB 3.43Å; W319-L322 PolarHBondContact O-N 2.74Å; W319-F340 HydrophobicContact CE3-CE2 4.38Å; W319-F340 HydrophobicContact CE3-CZ 4.2Å; W319-F340 HydrophobicContact CH2-CE2 4.45Å; W319-F340 AromaticContact CH2-CZ 3.95Å; W319-F340 HydrophobicContact CH2-CZ 3.95Å; W319-F340 HydrophobicContact CZ3-CE2 4.24Å; W319-F340 AromaticContact CZ3-CZ 3.68Å; W319-F340 HydrophobicContact CZ3-CZ 3.68Å; W319-V349 HydrophobicContact CD2-CG1 4.15Å; W319-V349 HydrophobicContact CG-CG1 4.18Å; W319-V349 HydrophobicContact CG-CG2 4.3Å; W319-V349 HydrophobicContact CZ2-CG1 3.99Å; W319-T351 PolarHBondContact NE1-O 2.87Å; W319-V354 HydrophobicContact CB-CG2 4.46Å | ||
| 320 | P | 82.7 | Confident | 91 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 25% | 0.253 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.2 | -175.8 | -33.3 | 36.9 | 0 | 0 | 0 | 116.6 | W239 G316 | W239-P320 HydrophobicContact CG-CB 4.23Å; W239-P320 HydrophobicContact CG-CG 4.32Å; G316-P320 VanDerWaalsContact O-CA 3.28Å; G316-P320 WeakPolarHBondContact O-CA 3.36Å; G316-P320 VanDerWaalsContact O-CD 3.25Å; G316-P320 WeakPolarHBondContact O-CD 3.31Å; G316-P320 VanDerWaalsContact O-CG 3.29Å; G316-P320 WeakPolarHBondContact O-CG 3.32Å; G316-P320 VanDerWaalsContact O-N 3.14Å |
| 321 | N | 83.1 | Confident | 91.4 | Very high | 82 Ų | 82 | 26 Ų | 26 | 44% | 0.439 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 10.9 | -176.3 | -63 | -27.9 | 0 | 0 | 0 | 113.2 | S204 W319 V354 | S204-N321 PolarHBondContact OG-OD1 3.27Å; W319-N321 PolarHBondContact O-N 3.19Å; N321-V354 HydrophobicContact CB-CG2 4.33Å |
| 322 | L | 90.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -92.3 | 129 | 173.2 | -169.9 | 71.5 | 0 | 0 | 0 | 108.8 | I315 W319 L326 F340 W347 V354 | I315-L322 HydrophobicContact CG2-CB 4.1Å; I315-L322 HydrophobicContact CG2-CD2 3.74Å; I315-L322 HydrophobicContact CG2-CG 4.2Å; W319-L322 HydrophobicContact CB-CB 3.75Å; W319-L322 HydrophobicContact CB-CD2 4.36Å; W319-L322 HydrophobicContact CD2-CD2 4.43Å; W319-L322 HydrophobicContact CE3-CD2 3.82Å; W319-L322 WeakPolarHBondContact O-CB 3.43Å; W319-L322 PolarHBondContact O-N 2.74Å; L322-L326 HydrophobicContact CD2-CD1 4.45Å; L322-L326 HydrophobicContact CG-CD2 4.4Å; L322-F340 HydrophobicContact CD1-CB 3.76Å; L322-F340 HydrophobicContact CD1-CD2 3.8Å; L322-F340 HydrophobicContact CD1-CG 3.92Å; L322-F340 HydrophobicContact CD2-CB 4.44Å; L322-F340 HydrophobicContact CD2-CD1 4.11Å; L322-F340 HydrophobicContact CD2-CD2 3.64Å; L322-F340 HydrophobicContact CD2-CE1 4.22Å; L322-F340 HydrophobicContact CD2-CE2 3.76Å; L322-F340 HydrophobicContact CD2-CG 3.81Å; L322-F340 HydrophobicContact CD2-CZ 4.04Å; L322-F340 HydrophobicContact CG-CD2 4.42Å; L322-F340 HydrophobicContact CG-CG 4.49Å; L322-W347 HydrophobicContact CD1-CB 3.61Å; L322-W347 HydrophobicContact CD1-CD2 4.32Å; L322-W347 HydrophobicContact CD1-CG 3.73Å; L322-V354 HydrophobicContact CB-CG2 4.29Å |
| 323 | P | 90.8 | Very high | 91.7 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 15% | 0.149 | 13% | 0.132 | C | C | . | . | trans | -67.1 | 155.4 | 179 | 30 | -35.8 | 0 | 0 | 0 | 111.4 | L326 K342 W347 | P323-L326 HydrophobicContact CG-CD2 4.3Å; P323-L326 WeakPolarHBondContact O-CD2 3.49Å; P323-K342 HydrophobicContact CB-CD 3.75Å; P323-K342 HydrophobicContact CG-CB 4.4Å; P323-K342 HydrophobicContact CG-CD 3.76Å; P323-W347 HydrophobicContact CG-CD2 4.37Å; P323-W347 HydrophobicContact CG-CE3 4.41Å; P323-W347 HydrophobicContact CG-CH2 3.86Å; P323-W347 HydrophobicContact CG-CZ2 3.74Å; P323-W347 HydrophobicContact CG-CZ3 4.18Å | ||
| 324 | G | 90.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -75.3 | 177 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G297 L326 K342 | G297-G324 CarbonylContact O-C 3.58Å; G297-G324 WeakPolarHBondContact O-CA 3.38Å; G324-L326 PolarHBondContact O-N 2.92Å; G324-K342 WeakPolarHBondContact O-CE 3.18Å; G324-K342 PolarHBondContact O-NZ 3.18Å |
| 325 | K | 92.8 | Very high | 91.7 | Very high | 134 Ų | 134 | 29.4 Ų | 29.4 | 58% | 0.583 | 16% | 0.157 | S | C | * | . | S | Bend | trans | 48.9 | 63.9 | 176.5 | -164.9 | -176.8 | -178 | -177.1 | 0 | 111 | G297 | G297-K325 PolarHBondContact O-N 2.74Š|
| 326 | L | 96.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | trans | -69.7 | 160 | 178.4 | -59.9 | 168.8 | 0 | 0 | 0 | 109.5 | D283 A284 F295 I315 L322 P323 G324 F340 | D283-L326 CarbonylContact C-O 3.53Å; D283-L326 WeakPolarHBondContact CB-O 3.32Å; A284-L326 HydrophobicContact CB-CB 3.92Å; A284-L326 HydrophobicContact CB-CD1 4.47Å; F295-L326 HydrophobicContact CB-CD1 4.19Å; F295-L326 HydrophobicContact CD1-CD1 3.99Å; F295-L326 HydrophobicContact CD2-CD1 4.48Å; F295-L326 HydrophobicContact CG-CD1 3.95Å; I315-L326 HydrophobicContact CD1-CD1 4.3Å; L322-L326 HydrophobicContact CD2-CD1 4.45Å; L322-L326 HydrophobicContact CG-CD2 4.4Å; P323-L326 HydrophobicContact CG-CD2 4.3Å; P323-L326 WeakPolarHBondContact O-CD2 3.49Å; G324-L326 PolarHBondContact O-N 2.92Å; L326-F340 HydrophobicContact CD1-CD1 3.59Å; L326-F340 HydrophobicContact CD1-CE1 4.04Å; L326-F340 HydrophobicContact CD1-CG 4.42Å; L326-F340 HydrophobicContact CD2-CB 4.16Å | ||
| 327 | D | 97.9 | Very high | 92 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -103.9 | -31.4 | 175.7 | -59 | -25.6 | 0 | 0 | 0 | 111.7 | D283 F341 K342 G343 I375 D376 | D283-D327 CarbonylContact O-C 3.58Å; D327-F341 PolarHBondContact N-O 2.79Å; D327-K342 WeakPolarHBondContact OD2-CA 3.49Å; D327-G343 PolarHBondContact OD2-N 3.23Å; D327-I375 CarbonylContact C-O 2.95Å; D327-I375 VanDerWaalsContact CB-O 3.3Å; D327-I375 WeakPolarHBondContact CB-O 3.26Å; D327-D376 CarbonylContact O-C 3.57Å |
| 328 | A | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 160.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F341 I375 A378 | A328-F341 HydrophobicContact CB-CB 4.15Å; A328-F341 HydrophobicContact CB-CD2 4.14Å; A328-F341 HydrophobicContact CB-CG 4.4Å; A328-F341 PolarHBondContact O-N 3.26Å; A328-I375 HydrophobicContact CB-CB 4.32Å; A328-I375 HydrophobicContact CB-CG2 3.96Å; A328-A378 HydrophobicContact CB-CB 4.25Å |
| 329 | A | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A284 T286 R339 F340 | A284-A329 HydrophobicContact CB-CB 3.94Å; T286-A329 HydrophobicContact CG2-CB 3.9Å; A329-R339 CarbonylContact C-O 3.45Å; A329-R339 WeakPolarHBondContact CA-O 3.34Å; A329-F340 HydrophobicContact CB-CD1 3.51Å; A329-F340 HydrophobicContact CB-CE1 3.74Å; A329-F340 HydrophobicContact CB-CG 4.5Å |
| 330 | Y | 98.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 152 | 167.4 | 76.4 | -83.8 | 0 | 0 | 0 | 112.6 | T286 A332 V338 R339 F341 A378 C380 T387 F389 E400 | T286-Y330 VanDerWaalsContact OG1-CA 3.24Å; T286-Y330 WeakPolarHBondContact OG1-CA 3.47Å; Y330-A332 HydrophobicContact CD2-CB 4.39Å; Y330-A332 HydrophobicContact CE2-CB 3.87Å; Y330-V338 CarbonylContact O-C 3.57Å; Y330-V338 WeakPolarHBondContact O-CA 3.17Å; Y330-V338 WeakPolarHBondContact O-CG1 3.43Å; Y330-R339 HydrophobicContact CD1-CB 4.05Å; Y330-R339 HydrophobicContact CE1-CB 3.64Å; Y330-R339 HydrophobicContact CE1-CG 4.27Å; Y330-R339 PolarHBondContact N-O 2.94Å; Y330-R339 PolarHBondContact O-N 3.28Å; Y330-R339 WeakPolarHBondContact OH-CD 3.5Å; Y330-R339 PolarHBondContact OH-NH1 2.64Å; Y330-F341 AromaticContact CD1-CE2 3.72Å; Y330-F341 HydrophobicContact CD1-CE2 3.72Å; Y330-F341 HydrophobicContact CD1-CZ 4.37Å; Y330-F341 AromaticContact CE1-CE2 3.61Å; Y330-F341 HydrophobicContact CE1-CE2 3.61Å; Y330-F341 AromaticContact CE1-CZ 3.82Å; Y330-F341 HydrophobicContact CE1-CZ 3.82Å; Y330-A378 HydrophobicContact CD1-CB 3.62Å; Y330-A378 HydrophobicContact CE1-CB 4.46Å; Y330-A378 HydrophobicContact CG-CB 4.17Å; Y330-C380 HydrophobicContact CD2-CB 3.54Å; Y330-C380 HydrophobicContact CE2-CB 3.86Å; Y330-T387 HydrophobicContact CD1-CG2 4.18Å; Y330-T387 HydrophobicContact CD2-CG2 3.95Å; Y330-T387 HydrophobicContact CE1-CG2 3.85Å; Y330-T387 HydrophobicContact CE2-CG2 3.56Å; Y330-T387 HydrophobicContact CG-CG2 4.2Å; Y330-T387 VanDerWaalsContact CZ-CG2 3.49Å; Y330-F389 HydrophobicContact CD1-CE1 4.18Å; Y330-F389 AromaticContact CE1-CE1 3.63Å; Y330-F389 HydrophobicContact CE1-CE1 3.63Å; Y330-F389 AromaticContact CE1-CZ 3.91Å; Y330-F389 HydrophobicContact CE1-CZ 3.91Å; Y330-E400 WeakPolarHBondContact CE2-OE1 3.23Å; Y330-E400 PolarHBondContact OH-OE1 2.63Å |
| 331 | E | 97.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.7 | 171.6 | -178.6 | 172.3 | -143.2 | 0 | 0 | 110.4 | T286 T287 F288 R289 V338 C380 | T286-E331 PolarHBondContact OG1-N 3.36Å; T287-E331 VanDerWaalsContact CB-OE2 3.23Å; T287-E331 WeakPolarHBondContact CB-OE2 3.41Å; T287-E331 WeakPolarHBondContact O-CB 3.39Å; T287-E331 WeakPolarHBondContact OG1-CB 3.19Å; T287-E331 PolarHBondContact OG1-OE2 2.91Å; F288-E331 WeakPolarHBondContact CA-OE2 3.48Å; F288-E331 PolarHBondContact N-OE2 2.96Å; R289-E331 PolarHBondContact N-OE1 3.1Å; R289-E331 PolarHBondContact N-OE2 3.34Å; E331-V338 HydrophobicContact CB-CG2 4.26Å; E331-V338 HydrophobicContact CG-CG2 4.34Å; E331-C380 VanDerWaalsContact O-CB 3.31Å; E331-C380 WeakPolarHBondContact O-CB 3.45Å |
| 332 | A | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 80.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y330 I334 I335 D336 E337 | Y330-A332 HydrophobicContact CD2-CB 4.39Å; Y330-A332 HydrophobicContact CE2-CB 3.87Å; A332-I334 PolarHBondContact O-N 3.2Å; A332-I335 HydrophobicContact CB-CD1 3.93Å; A332-I335 HydrophobicContact CB-CG1 3.64Å; A332-I335 WeakPolarHBondContact O-CG1 3.27Å; A332-I335 PolarHBondContact O-N 2.94Å; A332-D336 PolarHBondContact O-N 3.42Å; A332-E337 PolarHBondContact N-O 2.83Å; A332-E337 PolarHBondContact O-N 3.31Å |
| 333 | S | 91.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 34% | 0.343 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -52.3 | -31.7 | -177.2 | -56.6 | 0 | 0 | 0 | 0 | 113 | I335 D336 | S333-I335 PolarHBondContact O-N 3.47Å; S333-D336 PolarHBondContact O-N 3.24Å |
| 334 | I | 90.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 29.4 Ų | 29.4 | 39% | 0.39 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -59.9 | -27 | 179 | -171.1 | 165.5 | 0 | 0 | 0 | 114.7 | A332 E400 Y401 | A332-I334 PolarHBondContact O-N 3.2Å; I334-E400 HydrophobicContact CG2-CB 4.27Å; I334-Y401 HydrophobicContact CD1-CD1 3.73Å; I334-Y401 HydrophobicContact CD1-CD2 4.38Å; I334-Y401 HydrophobicContact CD1-CE1 3.06Å; I334-Y401 HydrophobicContact CD1-CE2 3.78Å; I334-Y401 HydrophobicContact CD1-CG 4.36Å; I334-Y401 WeakPolarHBondContact CD1-OH 3.27Å; I334-Y401 HydrophobicContact CG1-CE1 4.42Å |
| 335 | I | 90.6 | Very high | 95.9 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -118.4 | 8.3 | 178.7 | 54.5 | 172.3 | 0 | 0 | 0 | 112.6 | A332 S333 E337 R350 | A332-I335 HydrophobicContact CB-CD1 3.93Å; A332-I335 HydrophobicContact CB-CG1 3.64Å; A332-I335 WeakPolarHBondContact O-CG1 3.27Å; A332-I335 PolarHBondContact O-N 2.94Å; S333-I335 PolarHBondContact O-N 3.47Å; I335-E337 VanDerWaalsContact C-N 3.31Å; I335-E337 HydrophobicContact CD1-CB 4.12Å; I335-E337 HydrophobicContact CD1-CG 4.3Å; I335-E337 WeakPolarHBondContact CD1-OE2 3.47Å; I335-E337 HydrophobicContact CG1-CB 4.04Å; I335-E337 HydrophobicContact CG1-CG 4.25Å; I335-E337 PolarHBondContact O-N 3.33Å; I335-R350 PolarHBondContact O-NH2 3.47Å |
| 336 | D | 91.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 25.9 Ų | 25.9 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 52.4 | -175.1 | -176.2 | 47.5 | 0 | 0 | 0 | 111.3 | R289 A332 S333 R350 | R289-D336 IonicContact CZ-OD1 2.78Å; R289-D336 IonicContact NE-OD1 3.78Å; R289-D336 PolarHBondContact NE-OD1 3.22Å; R289-D336 IonicContact NH2-OD1 2.74Å; R289-D336 PolarHBondContact NH2-OD1 2.87Å; R289-D336 IonicContact NH2-OD2 2.73Å; R289-D336 PolarHBondContact NH2-OD2 2.96Å; A332-D336 PolarHBondContact O-N 3.42Å; S333-D336 PolarHBondContact O-N 3.24Å; D336-R350 WeakPolarHBondContact O-CG 3.47Å; D336-R350 PolarHBondContact O-NE 2.92Å; D336-R350 VanDerWaalsContact O-NE 3.09Å |
| 337 | E | 94.8 | Very high | 96.1 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.4 | 177.8 | -69.8 | 174.3 | -165 | 0 | 0 | 111.1 | A332 I335 V349 R350 L355 | A332-E337 PolarHBondContact N-O 2.83Å; A332-E337 PolarHBondContact O-N 3.31Å; I335-E337 VanDerWaalsContact C-N 3.31Å; I335-E337 HydrophobicContact CD1-CB 4.12Å; I335-E337 HydrophobicContact CD1-CG 4.3Å; I335-E337 WeakPolarHBondContact CD1-OE2 3.47Å; I335-E337 HydrophobicContact CG1-CB 4.04Å; I335-E337 HydrophobicContact CG1-CG 4.25Å; I335-E337 PolarHBondContact O-N 3.33Å; E337-V349 WeakPolarHBondContact CA-O 3.33Å; E337-R350 IonicContact OE1-CZ 3.63Å; E337-R350 IonicContact OE1-NH2 3.19Å; E337-R350 PolarHBondContact OE1-NH2 3.37Å; E337-L355 HydrophobicContact CG-CD1 4.11Å; E337-L355 WeakPolarHBondContact OE1-CD1 3.22Å |
| 338 | V | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.6 | 160.9 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | T286 F288 Y330 E331 F340 V349 | T286-V338 HydrophobicContact CG2-CG1 3.81Å; F288-V338 HydrophobicContact CD2-CG2 3.28Å; F288-V338 HydrophobicContact CE2-CG2 3.78Å; F288-V338 HydrophobicContact CG-CG2 4.24Å; Y330-V338 CarbonylContact O-C 3.57Å; Y330-V338 WeakPolarHBondContact O-CA 3.17Å; Y330-V338 WeakPolarHBondContact O-CG1 3.43Å; E331-V338 HydrophobicContact CB-CG2 4.26Å; E331-V338 HydrophobicContact CG-CG2 4.34Å; V338-F340 HydrophobicContact CB-CE2 3.95Å; V338-F340 HydrophobicContact CB-CZ 4.24Å; V338-F340 HydrophobicContact CG1-CD2 4.17Å; V338-F340 HydrophobicContact CG1-CE1 3.98Å; V338-F340 HydrophobicContact CG1-CE2 3.56Å; V338-F340 HydrophobicContact CG1-CZ 3.46Å; V338-F340 VanDerWaalsContact CG1-CZ 3.46Å; V338-V349 PolarHBondContact N-O 2.76Å; V338-V349 PolarHBondContact O-N 2.92Å |
| 339 | R | 97.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.6 | 174.9 | -65.1 | -170.1 | -172.4 | 147 | 4.5 | 109.9 | A329 Y330 F341 V346 W347 A348 E400 | A329-R339 CarbonylContact C-O 3.45Å; A329-R339 WeakPolarHBondContact CA-O 3.34Å; Y330-R339 HydrophobicContact CD1-CB 4.05Å; Y330-R339 HydrophobicContact CE1-CB 3.64Å; Y330-R339 HydrophobicContact CE1-CG 4.27Å; Y330-R339 PolarHBondContact N-O 2.94Å; Y330-R339 PolarHBondContact O-N 3.28Å; Y330-R339 WeakPolarHBondContact OH-CD 3.5Å; Y330-R339 PolarHBondContact OH-NH1 2.64Å; R339-F341 HydrophobicContact CB-CE2 4.06Å; R339-F341 HydrophobicContact CB-CZ 4.48Å; R339-V346 HydrophobicContact CB-CG2 3.99Å; R339-V346 HydrophobicContact CG-CG2 4.44Å; R339-W347 CarbonylContact C-O 3.56Å; R339-W347 VanDerWaalsContact CA-O 3.25Å; R339-W347 WeakPolarHBondContact CA-O 3.24Å; R339-A348 HydrophobicContact CG-CB 4.45Å; R339-E400 IonicContact CZ-OE1 3.91Å; R339-E400 IonicContact CZ-OE2 3.64Å; R339-E400 VanDerWaalsContact NH1-CD 3.33Å; R339-E400 IonicContact NH1-OE1 3.73Å; R339-E400 PolarHBondContact NH1-OE1 3.13Å; R339-E400 IonicContact NH1-OE2 3.19Å; R339-E400 PolarHBondContact NH1-OE2 2.91Å; R339-E400 IonicContact NH2-OE1 3.52Å; R339-E400 IonicContact NH2-OE2 3.42Å; R339-E400 PolarHBondContact NH2-OE2 3.09Å; R339-E400 VanDerWaalsContact NH2-OE2 3.09Å |
| 340 | F | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.1 | -178.4 | -66.1 | -77.5 | 0 | 0 | 0 | 109.6 | T286 F295 W319 L322 L326 A329 V338 V346 W347 V349 | T286-F340 HydrophobicContact CG2-CE1 4.45Å; F295-F340 HydrophobicContact CD2-CE1 4.46Å; F295-F340 HydrophobicContact CE1-CE1 4.16Å; F295-F340 AromaticContact CE2-CE1 3.78Å; F295-F340 HydrophobicContact CE2-CE1 3.78Å; F295-F340 HydrophobicContact CE2-CZ 4.48Å; F295-F340 AromaticContact CZ-CE1 3.6Å; F295-F340 HydrophobicContact CZ-CE1 3.6Å; F295-F340 AromaticContact CZ-CZ 3.96Å; F295-F340 HydrophobicContact CZ-CZ 3.96Å; W319-F340 HydrophobicContact CE3-CE2 4.38Å; W319-F340 HydrophobicContact CE3-CZ 4.2Å; W319-F340 HydrophobicContact CH2-CE2 4.45Å; W319-F340 AromaticContact CH2-CZ 3.95Å; W319-F340 HydrophobicContact CH2-CZ 3.95Å; W319-F340 HydrophobicContact CZ3-CE2 4.24Å; W319-F340 AromaticContact CZ3-CZ 3.68Å; W319-F340 HydrophobicContact CZ3-CZ 3.68Å; L322-F340 HydrophobicContact CD1-CB 3.76Å; L322-F340 HydrophobicContact CD1-CD2 3.8Å; L322-F340 HydrophobicContact CD1-CG 3.92Å; L322-F340 HydrophobicContact CD2-CB 4.44Å; L322-F340 HydrophobicContact CD2-CD1 4.11Å; L322-F340 HydrophobicContact CD2-CD2 3.64Å; L322-F340 HydrophobicContact CD2-CE1 4.22Å; L322-F340 HydrophobicContact CD2-CE2 3.76Å; L322-F340 HydrophobicContact CD2-CG 3.81Å; L322-F340 HydrophobicContact CD2-CZ 4.04Å; L322-F340 HydrophobicContact CG-CD2 4.42Å; L322-F340 HydrophobicContact CG-CG 4.49Å; L326-F340 HydrophobicContact CD1-CD1 3.59Å; L326-F340 HydrophobicContact CD1-CE1 4.04Å; L326-F340 HydrophobicContact CD1-CG 4.42Å; L326-F340 HydrophobicContact CD2-CB 4.16Å; A329-F340 HydrophobicContact CB-CD1 3.51Å; A329-F340 HydrophobicContact CB-CE1 3.74Å; A329-F340 HydrophobicContact CB-CG 4.5Å; V338-F340 HydrophobicContact CB-CE2 3.95Å; V338-F340 HydrophobicContact CB-CZ 4.24Å; V338-F340 HydrophobicContact CG1-CD2 4.17Å; V338-F340 HydrophobicContact CG1-CE1 3.98Å; V338-F340 HydrophobicContact CG1-CE2 3.56Å; V338-F340 HydrophobicContact CG1-CZ 3.46Å; V338-F340 VanDerWaalsContact CG1-CZ 3.46Å; F340-V346 CarbonylContact O-C 3.56Å; F340-V346 VanDerWaalsContact O-CA 3.28Å; F340-V346 WeakPolarHBondContact O-CA 3.45Å; F340-W347 HydrophobicContact CB-CB 4.39Å; F340-W347 PolarHBondContact N-O 3.46Å; F340-W347 PolarHBondContact O-N 2.93Å; F340-V349 HydrophobicContact CD2-CB 4.32Å; F340-V349 HydrophobicContact CD2-CG2 3.83Å; F340-V349 HydrophobicContact CE2-CB 3.95Å; F340-V349 HydrophobicContact CE2-CG1 4.49Å; F340-V349 HydrophobicContact CE2-CG2 3.74Å |
| 341 | F | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.1 | -175.5 | -64.5 | -97.8 | 0 | 0 | 0 | 110.5 | D327 A328 Y330 R339 K345 V346 I362 F366 I375 A378 F389 | D327-F341 PolarHBondContact N-O 2.79Å; A328-F341 HydrophobicContact CB-CB 4.15Å; A328-F341 HydrophobicContact CB-CD2 4.14Å; A328-F341 HydrophobicContact CB-CG 4.4Å; A328-F341 PolarHBondContact O-N 3.26Å; Y330-F341 AromaticContact CD1-CE2 3.72Å; Y330-F341 HydrophobicContact CD1-CE2 3.72Å; Y330-F341 HydrophobicContact CD1-CZ 4.37Å; Y330-F341 AromaticContact CE1-CE2 3.61Å; Y330-F341 HydrophobicContact CE1-CE2 3.61Å; Y330-F341 AromaticContact CE1-CZ 3.82Å; Y330-F341 HydrophobicContact CE1-CZ 3.82Å; R339-F341 HydrophobicContact CB-CE2 4.06Å; R339-F341 HydrophobicContact CB-CZ 4.48Å; F341-K345 WeakPolarHBondContact CA-O 3.3Å; F341-V346 HydrophobicContact CD1-CB 4.06Å; F341-V346 HydrophobicContact CD1-CG2 4.22Å; F341-V346 HydrophobicContact CE1-CB 3.85Å; F341-V346 HydrophobicContact CE1-CG2 3.8Å; F341-V346 HydrophobicContact CE2-CG2 4.15Å; F341-V346 HydrophobicContact CZ-CB 4.32Å; F341-V346 HydrophobicContact CZ-CG2 3.74Å; F341-I362 HydrophobicContact CD1-CG2 3.94Å; F341-I362 HydrophobicContact CE1-CG2 3.99Å; F341-F366 HydrophobicContact CE1-CD2 4.26Å; F341-F366 AromaticContact CE1-CE2 3.59Å; F341-F366 HydrophobicContact CE1-CE2 3.59Å; F341-F366 HydrophobicContact CE1-CZ 4.32Å; F341-F366 AromaticContact CZ-CE2 3.65Å; F341-F366 HydrophobicContact CZ-CE2 3.65Å; F341-F366 AromaticContact CZ-CZ 3.9Å; F341-F366 HydrophobicContact CZ-CZ 3.9Å; F341-I375 HydrophobicContact CB-CB 4.43Å; F341-I375 HydrophobicContact CD1-CB 4.22Å; F341-I375 HydrophobicContact CD1-CG1 3.73Å; F341-I375 HydrophobicContact CE1-CG1 4.12Å; F341-I375 HydrophobicContact CG-CB 4.3Å; F341-I375 HydrophobicContact CG-CG1 4.32Å; F341-A378 HydrophobicContact CE2-CB 4.45Å; F341-F389 HydrophobicContact CE1-CE1 4.17Å; F341-F389 HydrophobicContact CE2-CE1 4.05Å; F341-F389 HydrophobicContact CZ-CD1 4.34Å; F341-F389 AromaticContact CZ-CE1 3.5Å; F341-F389 HydrophobicContact CZ-CE1 3.5Å; F341-F389 VanDerWaalsContact CZ-CE1 3.5Å; F341-F389 HydrophobicContact CZ-CZ 4.17Å |
| 342 | K | 97.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 26% | 0.261 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 115.9 | 168.7 | -172.7 | 174.8 | -175.6 | 171.8 | 0 | 108.7 | D243 P323 G324 D327 D344 K345 W347 | D243-K342 IonicContact OD2-NZ 3.49Å; D243-K342 PolarHBondContact OD2-NZ 2.62Å; P323-K342 HydrophobicContact CB-CD 3.75Å; P323-K342 HydrophobicContact CG-CB 4.4Å; P323-K342 HydrophobicContact CG-CD 3.76Å; G324-K342 WeakPolarHBondContact O-CE 3.18Å; G324-K342 PolarHBondContact O-NZ 3.18Å; D327-K342 WeakPolarHBondContact OD2-CA 3.49Å; K342-D344 PolarHBondContact O-N 3.03Å; K342-K345 PolarHBondContact N-O 3.13Å; K342-K345 PolarHBondContact O-N 3.14Å; K342-W347 HydrophobicContact CB-CH2 4.16Å; K342-W347 HydrophobicContact CB-CZ3 3.75Å |
| 343 | G | 96.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 44 Ų | 44 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -133 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D327 K345 T373 H374 | D327-G343 PolarHBondContact OD2-N 3.23Å; G343-K345 PolarHBondContact O-N 3.48Å; G343-T373 CarbonylContact C-O 3.45Å; G343-T373 WeakPolarHBondContact CA-O 3.3Å; G343-H374 WeakPolarHBondContact O-CA 3.34Å |
| 344 | D | 97 | Very high | 93.7 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 11.5 | -179.5 | 70.6 | -12.2 | 0 | 0 | 0 | 113.1 | K342 D361 I362 T373 | K342-D344 PolarHBondContact O-N 3.03Å; D344-D361 WeakPolarHBondContact O-CA 3.2Å; D344-I362 HydrophobicContact CB-CG1 4.38Å; D344-I362 PolarHBondContact O-N 3.44Å; D344-T373 PolarHBondContact N-O 3.33Å; D344-T373 VanDerWaalsContact N-O 3.1Å |
| 345 | K | 97.6 | Very high | 93.9 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 27% | 0.265 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.2 | -176.1 | -58.8 | -53.9 | 171.3 | -122.3 | 0 | 112.4 | F341 K342 G343 W347 P359 V360 D361 | F341-K345 WeakPolarHBondContact CA-O 3.3Å; K342-K345 PolarHBondContact N-O 3.13Å; K342-K345 PolarHBondContact O-N 3.14Å; G343-K345 PolarHBondContact O-N 3.48Å; K345-W347 HydrophobicContact CB-CE3 4.28Å; K345-W347 HydrophobicContact CB-CH2 3.56Å; K345-W347 HydrophobicContact CB-CZ3 3.43Å; K345-W347 VanDerWaalsContact CB-CZ3 3.43Å; K345-W347 HydrophobicContact CG-CH2 4.33Å; K345-P359 HydrophobicContact CB-CB 4.05Å; K345-P359 HydrophobicContact CG-CB 4.48Å; K345-V360 WeakPolarHBondContact CA-O 3.4Å; K345-D361 IonicContact NZ-OD2 3.67Å; K345-D361 PolarHBondContact NZ-OD2 2.83Å |
| 346 | V | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.9 | 170.5 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | R339 F340 F341 F358 P359 V360 I362 Y365 F366 | R339-V346 HydrophobicContact CB-CG2 3.99Å; R339-V346 HydrophobicContact CG-CG2 4.44Å; F340-V346 CarbonylContact O-C 3.56Å; F340-V346 VanDerWaalsContact O-CA 3.28Å; F340-V346 WeakPolarHBondContact O-CA 3.45Å; F341-V346 HydrophobicContact CD1-CB 4.06Å; F341-V346 HydrophobicContact CD1-CG2 4.22Å; F341-V346 HydrophobicContact CE1-CB 3.85Å; F341-V346 HydrophobicContact CE1-CG2 3.8Å; F341-V346 HydrophobicContact CE2-CG2 4.15Å; F341-V346 HydrophobicContact CZ-CB 4.32Å; F341-V346 HydrophobicContact CZ-CG2 3.74Å; V346-F358 HydrophobicContact CG1-CE1 4.38Å; V346-F358 WeakPolarHBondContact O-CD1 3.27Å; V346-P359 VanDerWaalsContact O-CA 3.23Å; V346-P359 WeakPolarHBondContact O-CA 3.3Å; V346-V360 HydrophobicContact CG1-CG2 3.45Å; V346-V360 VanDerWaalsContact CG1-CG2 3.45Å; V346-V360 PolarHBondContact N-O 2.78Å; V346-V360 PolarHBondContact O-N 3.29Å; V346-I362 HydrophobicContact CB-CG2 4.31Å; V346-Y365 HydrophobicContact CG1-CD1 4.39Å; V346-Y365 HydrophobicContact CG1-CG 4.48Å; V346-F366 HydrophobicContact CB-CE2 4.26Å; V346-F366 HydrophobicContact CG1-CE2 4.03Å; V346-F366 HydrophobicContact CG2-CE2 4.16Å |
| 347 | W | 97 | Very high | 94 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 11% | 0.106 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 142 | 168 | -70.4 | -110.2 | 0 | 0 | 0 | 108.6 | L322 P323 R339 F340 K342 K345 P359 | L322-W347 HydrophobicContact CD1-CB 3.61Å; L322-W347 HydrophobicContact CD1-CD2 4.32Å; L322-W347 HydrophobicContact CD1-CG 3.73Å; P323-W347 HydrophobicContact CG-CD2 4.37Å; P323-W347 HydrophobicContact CG-CE3 4.41Å; P323-W347 HydrophobicContact CG-CH2 3.86Å; P323-W347 HydrophobicContact CG-CZ2 3.74Å; P323-W347 HydrophobicContact CG-CZ3 4.18Å; R339-W347 CarbonylContact C-O 3.56Å; R339-W347 VanDerWaalsContact CA-O 3.25Å; R339-W347 WeakPolarHBondContact CA-O 3.24Å; F340-W347 HydrophobicContact CB-CB 4.39Å; F340-W347 PolarHBondContact N-O 3.46Å; F340-W347 PolarHBondContact O-N 2.93Å; K342-W347 HydrophobicContact CB-CH2 4.16Å; K342-W347 HydrophobicContact CB-CZ3 3.75Å; K345-W347 HydrophobicContact CB-CE3 4.28Å; K345-W347 HydrophobicContact CB-CH2 3.56Å; K345-W347 HydrophobicContact CB-CZ3 3.43Å; K345-W347 VanDerWaalsContact CB-CZ3 3.43Å; K345-W347 HydrophobicContact CG-CH2 4.33Å; W347-P359 HydrophobicContact CD2-CB 3.8Å; W347-P359 VanDerWaalsContact CE2-CB 3.49Å; W347-P359 HydrophobicContact CE3-CB 4.25Å; W347-P359 HydrophobicContact CG-CB 4.28Å; W347-P359 HydrophobicContact CH2-CB 4.07Å; W347-P359 HydrophobicContact CH2-CG 4.41Å; W347-P359 HydrophobicContact CZ2-CB 3.64Å; W347-P359 HydrophobicContact CZ2-CG 3.67Å; W347-P359 HydrophobicContact CZ3-CB 4.36Å |
| 348 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | R339 V354 L355 F358 | R339-A348 HydrophobicContact CG-CB 4.45Å; A348-V354 WeakPolarHBondContact O-CA 3.47Å; A348-L355 HydrophobicContact CB-CB 4.44Å; A348-L355 HydrophobicContact CB-CD1 3.88Å; A348-L355 HydrophobicContact CB-CG 4.32Å; A348-L355 PolarHBondContact O-N 2.95Å; A348-F358 HydrophobicContact CB-CD1 3.91Å; A348-F358 HydrophobicContact CB-CD2 3.94Å; A348-F358 HydrophobicContact CB-CE1 3.54Å; A348-F358 HydrophobicContact CB-CE2 3.57Å; A348-F358 HydrophobicContact CB-CG 4.1Å; A348-F358 HydrophobicContact CB-CZ 3.35Å; A348-F358 VanDerWaalsContact N-CD1 3.28Å |
| 349 | V | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134 | -178.2 | 166.4 | 0 | 0 | 0 | 0 | 108.8 | W319 E337 V338 F340 S353 V354 | W319-V349 HydrophobicContact CD2-CG1 4.15Å; W319-V349 HydrophobicContact CG-CG1 4.18Å; W319-V349 HydrophobicContact CG-CG2 4.3Å; W319-V349 HydrophobicContact CZ2-CG1 3.99Å; E337-V349 WeakPolarHBondContact CA-O 3.33Å; V338-V349 PolarHBondContact N-O 2.76Å; V338-V349 PolarHBondContact O-N 2.92Å; F340-V349 HydrophobicContact CD2-CB 4.32Å; F340-V349 HydrophobicContact CD2-CG2 3.83Å; F340-V349 HydrophobicContact CE2-CB 3.95Å; F340-V349 HydrophobicContact CE2-CG1 4.49Å; F340-V349 HydrophobicContact CE2-CG2 3.74Å; V349-S353 WeakPolarHBondContact CA-O 3.39Å; V349-V354 HydrophobicContact CG2-CG2 3.98Å |
| 350 | R | 91.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.9 | 167.7 | -176.2 | 173.3 | -67 | 143.2 | -0.2 | 109.2 | I335 D336 E337 R352 S353 L355 | I335-R350 PolarHBondContact O-NH2 3.47Å; D336-R350 WeakPolarHBondContact O-CG 3.47Å; D336-R350 PolarHBondContact O-NE 2.92Å; D336-R350 VanDerWaalsContact O-NE 3.09Å; E337-R350 IonicContact OE1-CZ 3.63Å; E337-R350 IonicContact OE1-NH2 3.19Å; E337-R350 PolarHBondContact OE1-NH2 3.37Å; R350-R352 PolarHBondContact O-N 3.46Å; R350-S353 PolarHBondContact N-O 3.38Å; R350-S353 PolarHBondContact O-N 2.91Å; R350-L355 HydrophobicContact CB-CD2 3.88Å; R350-L355 HydrophobicContact CB-CG 4.47Å |
| 351 | T | 84.4 | Confident | 93.9 | Very high | 66 Ų | 66 | 52 Ų | 52 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -99.2 | -178.7 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | F288 R289 W319 | F288-T351 WeakPolarHBondContact CZ-O 3.48Å; R289-T351 PolarHBondContact NH2-OG1 2.99Å; W319-T351 PolarHBondContact NE1-O 2.87Å |
| 352 | R | 81 | Confident | 93.9 | Very high | 185 Ų | 185 | 52 Ų | 52 | 70% | 0.698 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 21.6 | -176.7 | -69.1 | -170.3 | 180 | -178.7 | -0.7 | 112.8 | R350 | R350-R352 PolarHBondContact O-N 3.46Š|
| 353 | S | 85.8 | Confident | 93.9 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.1 | -177 | -57.1 | 0 | 0 | 0 | 0 | 111 | V349 R350 | V349-S353 WeakPolarHBondContact CA-O 3.39Å; R350-S353 PolarHBondContact N-O 3.38Å; R350-S353 PolarHBondContact O-N 2.91Å |
| 354 | V | 90.9 | Very high | 93.8 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 132 | 160.8 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | W319 N321 L322 A348 V349 F358 | W319-V354 HydrophobicContact CB-CG2 4.46Å; N321-V354 HydrophobicContact CB-CG2 4.33Å; L322-V354 HydrophobicContact CB-CG2 4.29Å; A348-V354 WeakPolarHBondContact O-CA 3.47Å; V349-V354 HydrophobicContact CG2-CG2 3.98Å; V354-F358 HydrophobicContact CG1-CB 4.21Å |
| 355 | L | 94.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 144.6 | -177.6 | -66.3 | -175.7 | 0 | 0 | 0 | 111.3 | E337 A348 R350 F358 | E337-L355 HydrophobicContact CG-CD1 4.11Å; E337-L355 WeakPolarHBondContact OE1-CD1 3.22Å; A348-L355 HydrophobicContact CB-CB 4.44Å; A348-L355 HydrophobicContact CB-CD1 3.88Å; A348-L355 HydrophobicContact CB-CG 4.32Å; A348-L355 PolarHBondContact O-N 2.95Å; R350-L355 HydrophobicContact CB-CD2 3.88Å; R350-L355 HydrophobicContact CB-CG 4.47Å; L355-F358 HydrophobicContact CB-CD2 3.74Å; L355-F358 HydrophobicContact CB-CE2 4.05Å; L355-F358 HydrophobicContact CD1-CE2 4.49Å; L355-F358 WeakPolarHBondContact O-CB 3.35Å; L355-F358 PolarHBondContact O-N 2.76Å |
| 356 | S | 92.8 | Very high | 93.8 | Very high | 126 Ų | 126 | 52 Ų | 52 | 88% | 0.881 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 139.2 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 357 | G | 92.9 | Very high | 93.8 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | -4.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V360 | G357-V360 WeakPolarHBondContact O-CG1 3.48Š|
| 358 | F | 94.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | trans | -98.7 | 150.9 | 170.9 | -70.6 | -95.1 | 0 | 0 | 0 | 111.2 | V346 A348 V354 L355 V360 Y365 | V346-F358 HydrophobicContact CG1-CE1 4.38Å; V346-F358 WeakPolarHBondContact O-CD1 3.27Å; A348-F358 HydrophobicContact CB-CD1 3.91Å; A348-F358 HydrophobicContact CB-CD2 3.94Å; A348-F358 HydrophobicContact CB-CE1 3.54Å; A348-F358 HydrophobicContact CB-CE2 3.57Å; A348-F358 HydrophobicContact CB-CG 4.1Å; A348-F358 HydrophobicContact CB-CZ 3.35Å; A348-F358 VanDerWaalsContact N-CD1 3.28Å; V354-F358 HydrophobicContact CG1-CB 4.21Å; L355-F358 HydrophobicContact CB-CD2 3.74Å; L355-F358 HydrophobicContact CB-CE2 4.05Å; L355-F358 HydrophobicContact CD1-CE2 4.49Å; L355-F358 WeakPolarHBondContact O-CB 3.35Å; L355-F358 PolarHBondContact O-N 2.76Å; F358-V360 HydrophobicContact CD1-CG1 4.41Å; F358-V360 HydrophobicContact CD1-CG2 3.83Å; F358-V360 HydrophobicContact CE1-CG2 3.65Å; F358-Y365 HydrophobicContact CE1-CE2 4.29Å; F358-Y365 HydrophobicContact CZ-CE2 4.04Å | ||
| 359 | P | 95.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 56 Ų | 56 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | S | Bend | cis | -72.5 | 154.5 | 2.5 | 26.5 | -32 | 0 | 0 | 0 | 114.7 | K345 V346 W347 | K345-P359 HydrophobicContact CB-CB 4.05Å; K345-P359 HydrophobicContact CG-CB 4.48Å; V346-P359 VanDerWaalsContact O-CA 3.23Å; V346-P359 WeakPolarHBondContact O-CA 3.3Å; W347-P359 HydrophobicContact CD2-CB 3.8Å; W347-P359 VanDerWaalsContact CE2-CB 3.49Å; W347-P359 HydrophobicContact CE3-CB 4.25Å; W347-P359 HydrophobicContact CG-CB 4.28Å; W347-P359 HydrophobicContact CH2-CB 4.07Å; W347-P359 HydrophobicContact CH2-CG 4.41Å; W347-P359 HydrophobicContact CZ2-CB 3.64Å; W347-P359 HydrophobicContact CZ2-CG 3.67Å; W347-P359 HydrophobicContact CZ3-CB 4.36Å |
| 360 | V | 97.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 62 Ų | 62 | 22% | 0.218 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 163.7 | 171.2 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | K345 V346 G357 F358 Y365 | K345-V360 WeakPolarHBondContact CA-O 3.4Å; V346-V360 HydrophobicContact CG1-CG2 3.45Å; V346-V360 VanDerWaalsContact CG1-CG2 3.45Å; V346-V360 PolarHBondContact N-O 2.78Å; V346-V360 PolarHBondContact O-N 3.29Å; G357-V360 WeakPolarHBondContact O-CG1 3.48Å; F358-V360 HydrophobicContact CD1-CG1 4.41Å; F358-V360 HydrophobicContact CD1-CG2 3.83Å; F358-V360 HydrophobicContact CE1-CG2 3.65Å; V360-Y365 HydrophobicContact CB-CD2 4.45Å; V360-Y365 HydrophobicContact CG2-CD2 3.48Å; V360-Y365 VanDerWaalsContact CG2-CD2 3.48Å; V360-Y365 HydrophobicContact CG2-CE2 4.09Å; V360-Y365 HydrophobicContact CG2-CG 3.77Å |
| 361 | D | 97.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.4 | -176.5 | -177.2 | -85.5 | 0 | 0 | 0 | 112.7 | D344 K345 H363 S364 Y365 | D344-D361 WeakPolarHBondContact O-CA 3.2Å; K345-D361 IonicContact NZ-OD2 3.67Å; K345-D361 PolarHBondContact NZ-OD2 2.83Å; D361-H363 VanDerWaalsContact C-N 3.26Å; D361-H363 PolarHBondContact O-N 2.89Å; D361-H363 WeakPolarHBondContact OD1-CA 3.48Å; D361-H363 WeakPolarHBondContact OD1-CB 3.11Å; D361-H363 IonicContact OD1-CD2 2.77Å; D361-H363 PolarHBondContact OD1-CD2 2.71Å; D361-H363 IonicContact OD1-CG 3.88Å; D361-H363 PolarHBondContact OD1-N 2.91Å; D361-H363 IonicContact OD2-CD2 2.92Å; D361-S364 PolarHBondContact O-N 3.25Å; D361-S364 PolarHBondContact O-OG 3.43Å; D361-S364 PolarHBondContact OD1-N 3.36Å; D361-Y365 VanDerWaalsContact O-CB 3.23Å; D361-Y365 WeakPolarHBondContact O-CB 3.21Å; D361-Y365 PolarHBondContact O-N 3.42Å |
| 362 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -29.4 | -176.3 | 64.4 | 173.8 | 0 | 0 | 0 | 113.1 | F341 D344 V346 F366 G367 F368 V372 I375 | F341-I362 HydrophobicContact CD1-CG2 3.94Å; F341-I362 HydrophobicContact CE1-CG2 3.99Å; D344-I362 HydrophobicContact CB-CG1 4.38Å; D344-I362 PolarHBondContact O-N 3.44Å; V346-I362 HydrophobicContact CB-CG2 4.31Å; I362-F366 HydrophobicContact CB-CD2 4.41Å; I362-F366 HydrophobicContact CG2-CD2 4.5Å; I362-F366 WeakPolarHBondContact O-CB 3.39Å; I362-F366 PolarHBondContact O-N 2.98Å; I362-G367 PolarHBondContact O-N 2.8Å; I362-F368 HydrophobicContact CB-CD2 4.01Å; I362-F368 HydrophobicContact CD1-CD2 4.37Å; I362-F368 HydrophobicContact CG1-CD2 4.36Å; I362-V372 HydrophobicContact CD1-CG1 4.17Å; I362-I375 HydrophobicContact CD1-CD1 4.33Å; I362-I375 HydrophobicContact CD1-CG1 4.46Å |
| 363 | H | 97.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 20% | 0.199 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.8 | -47.5 | 178.8 | -48.2 | -66.1 | 0 | 0 | 0 | 110.3 | D361 G367 F368 P369 T370 V372 | D361-H363 VanDerWaalsContact C-N 3.26Å; D361-H363 PolarHBondContact O-N 2.89Å; D361-H363 WeakPolarHBondContact OD1-CA 3.48Å; D361-H363 WeakPolarHBondContact OD1-CB 3.11Å; D361-H363 IonicContact OD1-CD2 2.77Å; D361-H363 PolarHBondContact OD1-CD2 2.71Å; D361-H363 IonicContact OD1-CG 3.88Å; D361-H363 PolarHBondContact OD1-N 2.91Å; D361-H363 IonicContact OD2-CD2 2.92Å; H363-G367 WeakPolarHBondContact O-CA 3.33Å; H363-G367 PolarHBondContact O-N 2.75Å; H363-F368 PolarHBondContact ND1-O 3.35Å; H363-F368 VanDerWaalsContact ND1-O 3.11Å; H363-P369 PolarHBondContact CE1-O 3.47Å; H363-P369 PolarHBondContact ND1-O 3.06Å; H363-P369 VanDerWaalsContact ND1-O 3.12Å; H363-T370 VanDerWaalsContact CE1-CA 3.47Å; H363-T370 WeakPolarHBondContact CE1-CA 3.32Å; H363-V372 PolarHBondContact CE1-O 3.27Å |
| 364 | S | 95.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 54.1 Ų | 54.1 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.2 | -33.8 | 179.7 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | D361 | D361-S364 PolarHBondContact O-N 3.25Å; D361-S364 PolarHBondContact O-OG 3.43Å; D361-S364 PolarHBondContact OD1-N 3.36Å |
| 365 | Y | 96.4 | Very high | 96.5 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -85.8 | -45.3 | -172.3 | -166 | -93.9 | 0 | 0 | 0 | 112.8 | V346 F358 V360 D361 | V346-Y365 HydrophobicContact CG1-CD1 4.39Å; V346-Y365 HydrophobicContact CG1-CG 4.48Å; F358-Y365 HydrophobicContact CE1-CE2 4.29Å; F358-Y365 HydrophobicContact CZ-CE2 4.04Å; V360-Y365 HydrophobicContact CB-CD2 4.45Å; V360-Y365 HydrophobicContact CG2-CD2 3.48Å; V360-Y365 VanDerWaalsContact CG2-CD2 3.48Å; V360-Y365 HydrophobicContact CG2-CE2 4.09Å; V360-Y365 HydrophobicContact CG2-CG 3.77Å; D361-Y365 VanDerWaalsContact O-CB 3.23Å; D361-Y365 WeakPolarHBondContact O-CB 3.21Å; D361-Y365 PolarHBondContact O-N 3.42Å |
| 366 | F | 97.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -105.1 | -17.7 | -177.3 | -68.4 | -71.5 | 0 | 0 | 0 | 113.7 | F341 V346 I362 F368 F389 Y398 M405 | F341-F366 HydrophobicContact CE1-CD2 4.26Å; F341-F366 AromaticContact CE1-CE2 3.59Å; F341-F366 HydrophobicContact CE1-CE2 3.59Å; F341-F366 HydrophobicContact CE1-CZ 4.32Å; F341-F366 AromaticContact CZ-CE2 3.65Å; F341-F366 HydrophobicContact CZ-CE2 3.65Å; F341-F366 AromaticContact CZ-CZ 3.9Å; F341-F366 HydrophobicContact CZ-CZ 3.9Å; V346-F366 HydrophobicContact CB-CE2 4.26Å; V346-F366 HydrophobicContact CG1-CE2 4.03Å; V346-F366 HydrophobicContact CG2-CE2 4.16Å; I362-F366 HydrophobicContact CB-CD2 4.41Å; I362-F366 HydrophobicContact CG2-CD2 4.5Å; I362-F366 WeakPolarHBondContact O-CB 3.39Å; I362-F366 PolarHBondContact O-N 2.98Å; F366-F368 HydrophobicContact CB-CD2 3.6Å; F366-F368 HydrophobicContact CB-CE2 3.63Å; F366-F368 HydrophobicContact CD2-CD2 4.43Å; F366-F368 HydrophobicContact CD2-CE2 4.12Å; F366-F368 HydrophobicContact CG-CD2 4.37Å; F366-F368 HydrophobicContact CG-CE2 4.03Å; F366-F389 AromaticContact CD1-CE2 3.99Å; F366-F389 HydrophobicContact CD1-CE2 3.99Å; F366-F389 AromaticContact CD1-CZ 3.93Å; F366-F389 HydrophobicContact CD1-CZ 3.93Å; F366-F389 HydrophobicContact CE1-CE2 4.1Å; F366-F389 AromaticContact CE1-CZ 3.59Å; F366-F389 HydrophobicContact CE1-CZ 3.59Å; F366-F389 HydrophobicContact CE2-CZ 4.32Å; F366-F389 HydrophobicContact CG-CE2 4.46Å; F366-F389 HydrophobicContact CG-CZ 4.41Å; F366-F389 AromaticContact CZ-CZ 3.82Å; F366-F389 HydrophobicContact CZ-CZ 3.82Å; F366-Y398 HydrophobicContact CB-CE2 4.49Å; F366-Y398 HydrophobicContact CD1-CD1 4.15Å; F366-Y398 AromaticContact CD1-CD2 3.92Å; F366-Y398 HydrophobicContact CD1-CD2 3.92Å; F366-Y398 HydrophobicContact CD1-CE1 4.02Å; F366-Y398 AromaticContact CD1-CE2 3.78Å; F366-Y398 HydrophobicContact CD1-CE2 3.78Å; F366-Y398 HydrophobicContact CD1-CG 4.09Å; F366-Y398 AromaticContact CD1-CZ 3.81Å; F366-Y398 HydrophobicContact CE1-CD1 4.26Å; F366-Y398 HydrophobicContact CE1-CE1 4.09Å; F366-M405 HydrophobicContact CB-CE 4.09Å |
| 367 | G | 96.7 | Very high | 96.9 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | trans | 86.7 | 22 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I362 H363 | I362-G367 PolarHBondContact O-N 2.8Å; H363-G367 WeakPolarHBondContact O-CA 3.33Å; H363-G367 PolarHBondContact O-N 2.75Å | ||
| 368 | F | 98.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -63.8 | 143.4 | 175.4 | -77.8 | -76.5 | 0 | 0 | 0 | 112 | I362 H363 F366 V372 I375 F389 W396 M405 | I362-F368 HydrophobicContact CB-CD2 4.01Å; I362-F368 HydrophobicContact CD1-CD2 4.37Å; I362-F368 HydrophobicContact CG1-CD2 4.36Å; H363-F368 PolarHBondContact ND1-O 3.35Å; H363-F368 VanDerWaalsContact ND1-O 3.11Å; F366-F368 HydrophobicContact CB-CD2 3.6Å; F366-F368 HydrophobicContact CB-CE2 3.63Å; F366-F368 HydrophobicContact CD2-CD2 4.43Å; F366-F368 HydrophobicContact CD2-CE2 4.12Å; F366-F368 HydrophobicContact CG-CD2 4.37Å; F366-F368 HydrophobicContact CG-CE2 4.03Å; F368-V372 HydrophobicContact CB-CB 4.31Å; F368-V372 HydrophobicContact CD1-CB 4.34Å; F368-V372 HydrophobicContact CD1-CG1 4.05Å; F368-V372 HydrophobicContact CD1-CG2 4.26Å; F368-V372 HydrophobicContact CG-CG1 4.37Å; F368-I375 HydrophobicContact CD2-CD1 4.44Å; F368-I375 HydrophobicContact CE1-CD1 3.91Å; F368-I375 HydrophobicContact CE2-CD1 3.84Å; F368-I375 HydrophobicContact CZ-CD1 3.53Å; F368-F389 HydrophobicContact CE1-CB 4.29Å; F368-F389 HydrophobicContact CE2-CD2 4.15Å; F368-F389 HydrophobicContact CE2-CE2 4.35Å; F368-F389 HydrophobicContact CE2-CG 4.36Å; F368-F389 HydrophobicContact CZ-CB 3.71Å; F368-F389 HydrophobicContact CZ-CD1 4.35Å; F368-F389 AromaticContact CZ-CD2 3.55Å; F368-F389 HydrophobicContact CZ-CD2 3.55Å; F368-F389 HydrophobicContact CZ-CE2 4.2Å; F368-F389 AromaticContact CZ-CG 3.63Å; F368-F389 HydrophobicContact CZ-CG 3.63Å; F368-W396 HydrophobicContact CD1-CG 4.33Å; F368-W396 HydrophobicContact CE1-CB 4.06Å; F368-W396 AromaticContact CE1-CD1 3.5Å; F368-W396 VanDerWaalsContact CE1-CD1 3.5Å; F368-W396 HydrophobicContact CE1-CD2 4.38Å; F368-W396 AromaticContact CE1-CG 3.71Å; F368-W396 HydrophobicContact CE1-CG 3.71Å; F368-W396 AromaticContact CE1-NE1 4Å; F368-M405 HydrophobicContact CD1-CE 4.04Å; F368-M405 HydrophobicContact CD2-CE 4.06Å; F368-M405 HydrophobicContact CE1-CE 3.6Å; F368-M405 HydrophobicContact CE2-CE 3.61Å; F368-M405 HydrophobicContact CG-CE 4.27Å; F368-M405 HydrophobicContact CZ-CE 3.36Å | ||
| 369 | P | 97.2 | Very high | 97.4 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 34% | 0.344 | 26% | 0.257 | S | S | . | . | trans | -58.2 | 150.6 | 168.9 | -20.8 | 32.4 | 0 | 0 | 0 | 111.7 | H363 S371 V372 W396 | H363-P369 PolarHBondContact CE1-O 3.47Å; H363-P369 PolarHBondContact ND1-O 3.06Å; H363-P369 VanDerWaalsContact ND1-O 3.12Å; P369-S371 PolarHBondContact O-N 3.15Å; P369-V372 PolarHBondContact O-N 2.72Å; P369-W396 HydrophobicContact CG-CH2 4.11Å; P369-W396 HydrophobicContact CG-CZ2 4.04Å | ||
| 370 | T | 96.4 | Very high | 97.5 | Very high | 125 Ų | 125 | 38.7 Ų | 38.7 | 77% | 0.767 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11.7 | 179.2 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | H363 V372 | H363-T370 VanDerWaalsContact CE1-CA 3.47Å; H363-T370 WeakPolarHBondContact CE1-CA 3.32Å; T370-V372 VanDerWaalsContact C-N 3.31Å |
| 371 | S | 96.6 | Very high | 97.4 | Very high | 99 Ų | 99 | 38.4 Ų | 38.4 | 69% | 0.692 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -20.2 | 173.7 | 57 | 0 | 0 | 0 | 0 | 113.2 | P369 T373 | P369-S371 PolarHBondContact O-N 3.15Å; S371-T373 PolarHBondContact O-N 3.36Å |
| 372 | V | 97.9 | Very high | 97 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | trans | -86.8 | 105 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | I362 H363 F368 P369 T370 H374 I375 V391 | I362-V372 HydrophobicContact CD1-CG1 4.17Å; H363-V372 PolarHBondContact CE1-O 3.27Å; F368-V372 HydrophobicContact CB-CB 4.31Å; F368-V372 HydrophobicContact CD1-CB 4.34Å; F368-V372 HydrophobicContact CD1-CG1 4.05Å; F368-V372 HydrophobicContact CD1-CG2 4.26Å; F368-V372 HydrophobicContact CG-CG1 4.37Å; P369-V372 PolarHBondContact O-N 2.72Å; T370-V372 VanDerWaalsContact C-N 3.31Å; V372-H374 WeakPolarHBondContact CG1-O 3.33Å; V372-I375 HydrophobicContact CG1-CD1 3.96Å; V372-V391 HydrophobicContact CG1-CG1 4.12Å; V372-V391 HydrophobicContact CG1-CG2 3.99Å | ||
| 373 | T | 97.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 53% | 0.534 | 29% | 0.285 | S | S | . | . | trans | -98.1 | -10.2 | -174.7 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | G343 D344 S371 | G343-T373 CarbonylContact C-O 3.45Å; G343-T373 WeakPolarHBondContact CA-O 3.3Å; D344-T373 PolarHBondContact N-O 3.33Å; D344-T373 VanDerWaalsContact N-O 3.1Å; S371-T373 PolarHBondContact O-N 3.36Å | ||
| 374 | H | 97.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | trans | -159.5 | 169.9 | 178.6 | 61.8 | -67.8 | 0 | 0 | 0 | 109.7 | G343 V372 D376 | G343-H374 WeakPolarHBondContact O-CA 3.34Å; V372-H374 WeakPolarHBondContact CG1-O 3.33Å; H374-D376 IonicContact CD2-OD1 2.98Å; H374-D376 PolarHBondContact CD2-OD1 2.95Å; H374-D376 VanDerWaalsContact CD2-OD1 3.31Å; H374-D376 IonicContact NE2-OD1 3.51Å; H374-D376 PolarHBondContact NE2-OD1 2.89Å | ||
| 375 | I | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -122.4 | 125.2 | 176.2 | -55.9 | -60.1 | 0 | 0 | 0 | 107 | D327 A328 F341 I362 F368 V372 A377 F389 V391 | D327-I375 CarbonylContact C-O 2.95Å; D327-I375 VanDerWaalsContact CB-O 3.3Å; D327-I375 WeakPolarHBondContact CB-O 3.26Å; A328-I375 HydrophobicContact CB-CB 4.32Å; A328-I375 HydrophobicContact CB-CG2 3.96Å; F341-I375 HydrophobicContact CB-CB 4.43Å; F341-I375 HydrophobicContact CD1-CB 4.22Å; F341-I375 HydrophobicContact CD1-CG1 3.73Å; F341-I375 HydrophobicContact CE1-CG1 4.12Å; F341-I375 HydrophobicContact CG-CB 4.3Å; F341-I375 HydrophobicContact CG-CG1 4.32Å; I362-I375 HydrophobicContact CD1-CD1 4.33Å; I362-I375 HydrophobicContact CD1-CG1 4.46Å; F368-I375 HydrophobicContact CD2-CD1 4.44Å; F368-I375 HydrophobicContact CE1-CD1 3.91Å; F368-I375 HydrophobicContact CE2-CD1 3.84Å; F368-I375 HydrophobicContact CZ-CD1 3.53Å; V372-I375 HydrophobicContact CG1-CD1 3.96Å; I375-A377 WeakPolarHBondContact CG2-O 3.32Å; I375-F389 HydrophobicContact CD1-CB 4.5Å; I375-F389 HydrophobicContact CG2-CB 4.27Å; I375-F389 HydrophobicContact CG2-CD1 4.02Å; I375-V391 HydrophobicContact CD1-CG2 3.74Å | ||
| 376 | D | 98.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -79.1 | -36.1 | -177.6 | -63.5 | -41.9 | 0 | 0 | 0 | 112.3 | D327 H374 F390 V391 D392 V424 | D327-D376 CarbonylContact O-C 3.57Å; H374-D376 IonicContact CD2-OD1 2.98Å; H374-D376 PolarHBondContact CD2-OD1 2.95Å; H374-D376 VanDerWaalsContact CD2-OD1 3.31Å; H374-D376 IonicContact NE2-OD1 3.51Å; H374-D376 PolarHBondContact NE2-OD1 2.89Å; D376-F390 PolarHBondContact N-O 2.83Å; D376-V391 WeakPolarHBondContact OD2-CA 3.32Å; D376-D392 PolarHBondContact OD2-N 3.07Å; D376-V424 WeakPolarHBondContact CB-O 3.3Å |
| 377 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 154.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | I375 F390 V424 V427 | I375-A377 WeakPolarHBondContact CG2-O 3.32Å; A377-F390 HydrophobicContact CB-CB 4.15Å; A377-F390 HydrophobicContact CB-CD2 4.13Å; A377-F390 HydrophobicContact CB-CG 4.46Å; A377-F390 PolarHBondContact N-O 3.33Å; A377-F390 PolarHBondContact O-N 3.13Å; A377-V424 HydrophobicContact CB-CB 4.37Å; A377-V424 HydrophobicContact CB-CG1 3.58Å; A377-V427 HydrophobicContact CB-CG1 3.76Å |
| 378 | A | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 143.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A328 Y330 F341 Y388 F389 V427 | A328-A378 HydrophobicContact CB-CB 4.25Å; Y330-A378 HydrophobicContact CD1-CB 3.62Å; Y330-A378 HydrophobicContact CE1-CB 4.46Å; Y330-A378 HydrophobicContact CG-CB 4.17Å; F341-A378 HydrophobicContact CE2-CB 4.45Å; A378-Y388 VanDerWaalsContact CA-O 3.28Å; A378-Y388 WeakPolarHBondContact CA-O 3.07Å; A378-F389 HydrophobicContact CB-CD1 3.75Å; A378-F389 HydrophobicContact CB-CE1 3.99Å; A378-V427 VanDerWaalsContact O-O 3.04Å |
| 379 | V | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 137.1 | 171.2 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | T387 Y388 F390 V427 Q429 F434 | V379-T387 CarbonylContact O-C 3.57Å; V379-T387 WeakPolarHBondContact O-CA 3.46Å; V379-Y388 HydrophobicContact CG1-CD2 4.36Å; V379-Y388 PolarHBondContact N-O 3.19Å; V379-Y388 PolarHBondContact O-N 3.35Å; V379-F390 HydrophobicContact CG1-CE2 4.28Å; V379-V427 HydrophobicContact CB-CG1 3.9Å; V379-V427 HydrophobicContact CB-CG2 4.22Å; V379-V427 HydrophobicContact CG1-CG1 3.82Å; V379-V427 HydrophobicContact CG1-CG2 3.94Å; V379-Q429 HydrophobicContact CG2-CB 3.81Å; V379-F434 HydrophobicContact CG1-CD2 4.24Å; V379-F434 HydrophobicContact CG1-CE1 4.13Å; V379-F434 HydrophobicContact CG1-CE2 3.83Å; V379-F434 HydrophobicContact CG1-CZ 3.77Å; V379-F434 HydrophobicContact CG2-CD1 4.27Å; V379-F434 HydrophobicContact CG2-CE1 3.93Å; V379-F434 HydrophobicContact CG2-CZ 4.35Å |
| 380 | C | 97.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.8 | 168.7 | -172.1 | 0 | 0 | 0 | 0 | 110 | Y330 E331 E382 Q429 | Y330-C380 HydrophobicContact CD2-CB 3.54Å; Y330-C380 HydrophobicContact CE2-CB 3.86Å; E331-C380 VanDerWaalsContact O-CB 3.31Å; E331-C380 WeakPolarHBondContact O-CB 3.45Å; C380-E382 PolarHBondContact O-N 2.75Å; C380-Q429 PolarHBondContact O-OE1 2.94Å |
| 381 | E | 95.8 | Very high | 96.9 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 112 | 172.4 | -175.8 | 177.2 | -156.4 | 0 | 0 | 109.6 | E383 T384 G385 K386 Y388 F434 | E381-E383 VanDerWaalsContact C-N 3.3Å; E381-E383 PolarHBondContact O-N 3.47Å; E381-T384 WeakPolarHBondContact CB-OG1 3.23Å; E381-T384 VanDerWaalsContact CD-OG1 3.3Å; E381-T384 HydrophobicContact CG-CG2 4.15Å; E381-T384 WeakPolarHBondContact CG-OG1 3.44Å; E381-T384 PolarHBondContact O-N 2.99Å; E381-T384 WeakPolarHBondContact OE2-CG2 3.24Å; E381-T384 PolarHBondContact OE2-OG1 3.01Å; E381-G385 WeakPolarHBondContact O-CA 3.36Å; E381-G385 PolarHBondContact O-N 2.72Å; E381-K386 PolarHBondContact N-O 2.97Å; E381-Y388 HydrophobicContact CB-CE2 3.95Å; E381-Y388 PolarHBondContact OE2-OH 3.49Å; E381-Y388 VanDerWaalsContact OE2-OH 3.1Å; E381-F434 HydrophobicContact CB-CZ 4.36Å |
| 382 | E | 89.4 | Confident | 96.9 | Very high | 131 Ų | 131 | 33.7 Ų | 33.7 | 61% | 0.612 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -39.4 | -171.9 | -172.4 | 174 | -172.1 | 0 | 0 | 112.2 | C380 T384 | C380-E382 PolarHBondContact O-N 2.75Å; E382-T384 VanDerWaalsContact C-N 3.33Å; E382-T384 PolarHBondContact O-N 3.25Å |
| 383 | E | 91.2 | Very high | 96.9 | Very high | 126 Ų | 126 | 36.5 Ų | 36.5 | 59% | 0.589 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -26.2 | -175.2 | -63 | 83.3 | 174.7 | 0 | 0 | 113.4 | E381 Q429 | E381-E383 VanDerWaalsContact C-N 3.3Å; E381-E383 PolarHBondContact O-N 3.47Å; E383-Q429 PolarHBondContact OE2-NE2 3.24Å |
| 384 | T | 94.2 | Very high | 97 | Very high | 56 Ų | 56 | 35.6 Ų | 35.6 | 34% | 0.344 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -15.2 | -171.9 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | E381 E382 K386 Y401 | E381-T384 WeakPolarHBondContact CB-OG1 3.23Å; E381-T384 VanDerWaalsContact CD-OG1 3.3Å; E381-T384 HydrophobicContact CG-CG2 4.15Å; E381-T384 WeakPolarHBondContact CG-OG1 3.44Å; E381-T384 PolarHBondContact O-N 2.99Å; E381-T384 WeakPolarHBondContact OE2-CG2 3.24Å; E381-T384 PolarHBondContact OE2-OG1 3.01Å; E382-T384 VanDerWaalsContact C-N 3.33Å; E382-T384 PolarHBondContact O-N 3.25Å; T384-K386 PolarHBondContact O-N 3.41Å; T384-K386 WeakPolarHBondContact OG1-CB 3.48Å; T384-K386 VanDerWaalsContact OG1-CG 3.3Å; T384-K386 WeakPolarHBondContact OG1-CG 3.5Å; T384-K386 PolarHBondContact OG1-N 2.93Å; T384-Y401 WeakPolarHBondContact O-CE2 3.05Å |
| 385 | G | 95.1 | Very high | 97 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 22.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E381 E400 | E381-G385 WeakPolarHBondContact O-CA 3.36Å; E381-G385 PolarHBondContact O-N 2.72Å; G385-E400 WeakPolarHBondContact O-CB 3.39Å; G385-E400 PolarHBondContact O-N 2.88Å |
| 386 | K | 97.5 | Very high | 97 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 15% | 0.148 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.7 | 177.1 | -62.7 | -61.7 | -173.3 | 169.7 | 0 | 109.8 | E381 T384 Y388 R397 Y398 D399 D406 | E381-K386 PolarHBondContact N-O 2.97Å; T384-K386 PolarHBondContact O-N 3.41Å; T384-K386 WeakPolarHBondContact OG1-CB 3.48Å; T384-K386 VanDerWaalsContact OG1-CG 3.3Å; T384-K386 WeakPolarHBondContact OG1-CG 3.5Å; T384-K386 PolarHBondContact OG1-N 2.93Å; K386-Y388 HydrophobicContact CB-CE2 3.94Å; K386-Y388 WeakPolarHBondContact O-CD2 3.23Å; K386-Y388 WeakPolarHBondContact O-CE2 3.37Å; K386-R397 HydrophobicContact CB-CG 4.04Å; K386-R397 HydrophobicContact CD-CG 4.4Å; K386-Y398 CarbonylContact C-O 3.47Å; K386-Y398 WeakPolarHBondContact CA-O 3.46Å; K386-D399 HydrophobicContact CD-CB 4.2Å; K386-D399 IonicContact NZ-OD2 2.68Å; K386-D399 PolarHBondContact NZ-OD2 3.31Å; K386-D406 VanDerWaalsContact NZ-CG 3.34Å; K386-D406 IonicContact NZ-OD1 3.51Å; K386-D406 PolarHBondContact NZ-OD1 2.98Å; K386-D406 IonicContact NZ-OD2 2.82Å; K386-D406 PolarHBondContact NZ-OD2 3.26Å |
| 387 | T | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 132 | 173.1 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | Y330 V379 F389 R397 Y398 E400 | Y330-T387 HydrophobicContact CD1-CG2 4.18Å; Y330-T387 HydrophobicContact CD2-CG2 3.95Å; Y330-T387 HydrophobicContact CE1-CG2 3.85Å; Y330-T387 HydrophobicContact CE2-CG2 3.56Å; Y330-T387 HydrophobicContact CG-CG2 4.2Å; Y330-T387 VanDerWaalsContact CZ-CG2 3.49Å; V379-T387 CarbonylContact O-C 3.57Å; V379-T387 WeakPolarHBondContact O-CA 3.46Å; T387-F389 HydrophobicContact CG2-CD1 4.29Å; T387-F389 HydrophobicContact CG2-CD2 4.35Å; T387-F389 HydrophobicContact CG2-CE1 3.74Å; T387-F389 HydrophobicContact CG2-CE2 3.83Å; T387-F389 HydrophobicContact CG2-CZ 3.49Å; T387-F389 VanDerWaalsContact CG2-CZ 3.49Å; T387-R397 CarbonylContact O-C 3.52Å; T387-R397 VanDerWaalsContact O-CA 3.29Å; T387-R397 WeakPolarHBondContact O-CA 3.11Å; T387-Y398 PolarHBondContact N-O 3.16Å; T387-Y398 PolarHBondContact O-N 3.3Å; T387-E400 WeakPolarHBondContact OG1-CG 3.45Å; T387-E400 PolarHBondContact OG1-OE1 3.35Å; T387-E400 VanDerWaalsContact OG1-OE1 3.1Å |
| 388 | Y | 98.7 | Very high | 97 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 7% | 0.071 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.7 | 177 | -59.7 | -100.7 | 0 | 0 | 0 | 107.9 | A378 V379 E381 K386 Y395 W396 R397 F417 F434 | A378-Y388 VanDerWaalsContact CA-O 3.28Å; A378-Y388 WeakPolarHBondContact CA-O 3.07Å; V379-Y388 HydrophobicContact CG1-CD2 4.36Å; V379-Y388 PolarHBondContact N-O 3.19Å; V379-Y388 PolarHBondContact O-N 3.35Å; E381-Y388 HydrophobicContact CB-CE2 3.95Å; E381-Y388 PolarHBondContact OE2-OH 3.49Å; E381-Y388 VanDerWaalsContact OE2-OH 3.1Å; K386-Y388 HydrophobicContact CB-CE2 3.94Å; K386-Y388 WeakPolarHBondContact O-CD2 3.23Å; K386-Y388 WeakPolarHBondContact O-CE2 3.37Å; Y388-Y395 AromaticContact CD1-CD2 3.89Å; Y388-Y395 HydrophobicContact CD1-CD2 3.89Å; Y388-Y395 AromaticContact CD1-CE2 3.58Å; Y388-Y395 HydrophobicContact CD1-CE2 3.58Å; Y388-Y395 HydrophobicContact CE1-CE2 4.04Å; Y388-W396 WeakPolarHBondContact CA-O 3.35Å; Y388-R397 HydrophobicContact CD1-CG 4.18Å; Y388-R397 HydrophobicContact CE1-CG 3.96Å; Y388-F417 AromaticContact CD1-CZ 3.99Å; Y388-F417 HydrophobicContact CD1-CZ 3.99Å; Y388-F417 HydrophobicContact CE1-CZ 4.22Å; Y388-F434 HydrophobicContact CD2-CE2 4.18Å; Y388-F434 HydrophobicContact CD2-CZ 4.02Å; Y388-F434 HydrophobicContact CE2-CE2 4.35Å; Y388-F434 HydrophobicContact CE2-CZ 4.04Å; Y388-F434 HydrophobicContact CG-CE2 4.5Å |
| 389 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.7 | 176.3 | -62.2 | -71.1 | 0 | 0 | 0 | 109.3 | Y330 F341 F366 F368 I375 A378 T387 Y395 W396 Y398 M405 | Y330-F389 HydrophobicContact CD1-CE1 4.18Å; Y330-F389 AromaticContact CE1-CE1 3.63Å; Y330-F389 HydrophobicContact CE1-CE1 3.63Å; Y330-F389 AromaticContact CE1-CZ 3.91Å; Y330-F389 HydrophobicContact CE1-CZ 3.91Å; F341-F389 HydrophobicContact CE1-CE1 4.17Å; F341-F389 HydrophobicContact CE2-CE1 4.05Å; F341-F389 HydrophobicContact CZ-CD1 4.34Å; F341-F389 AromaticContact CZ-CE1 3.5Å; F341-F389 HydrophobicContact CZ-CE1 3.5Å; F341-F389 VanDerWaalsContact CZ-CE1 3.5Å; F341-F389 HydrophobicContact CZ-CZ 4.17Å; F366-F389 AromaticContact CD1-CE2 3.99Å; F366-F389 HydrophobicContact CD1-CE2 3.99Å; F366-F389 AromaticContact CD1-CZ 3.93Å; F366-F389 HydrophobicContact CD1-CZ 3.93Å; F366-F389 HydrophobicContact CE1-CE2 4.1Å; F366-F389 AromaticContact CE1-CZ 3.59Å; F366-F389 HydrophobicContact CE1-CZ 3.59Å; F366-F389 HydrophobicContact CE2-CZ 4.32Å; F366-F389 HydrophobicContact CG-CE2 4.46Å; F366-F389 HydrophobicContact CG-CZ 4.41Å; F366-F389 AromaticContact CZ-CZ 3.82Å; F366-F389 HydrophobicContact CZ-CZ 3.82Å; F368-F389 HydrophobicContact CE1-CB 4.29Å; F368-F389 HydrophobicContact CE2-CD2 4.15Å; F368-F389 HydrophobicContact CE2-CE2 4.35Å; F368-F389 HydrophobicContact CE2-CG 4.36Å; F368-F389 HydrophobicContact CZ-CB 3.71Å; F368-F389 HydrophobicContact CZ-CD1 4.35Å; F368-F389 AromaticContact CZ-CD2 3.55Å; F368-F389 HydrophobicContact CZ-CD2 3.55Å; F368-F389 HydrophobicContact CZ-CE2 4.2Å; F368-F389 AromaticContact CZ-CG 3.63Å; F368-F389 HydrophobicContact CZ-CG 3.63Å; I375-F389 HydrophobicContact CD1-CB 4.5Å; I375-F389 HydrophobicContact CG2-CB 4.27Å; I375-F389 HydrophobicContact CG2-CD1 4.02Å; A378-F389 HydrophobicContact CB-CD1 3.75Å; A378-F389 HydrophobicContact CB-CE1 3.99Å; T387-F389 HydrophobicContact CG2-CD1 4.29Å; T387-F389 HydrophobicContact CG2-CD2 4.35Å; T387-F389 HydrophobicContact CG2-CE1 3.74Å; T387-F389 HydrophobicContact CG2-CE2 3.83Å; T387-F389 HydrophobicContact CG2-CZ 3.49Å; T387-F389 VanDerWaalsContact CG2-CZ 3.49Å; F389-Y395 CarbonylContact O-C 3.49Å; F389-Y395 WeakPolarHBondContact O-CA 3.36Å; F389-Y395 WeakPolarHBondContact O-CB 3.44Å; F389-W396 HydrophobicContact CB-CB 4.36Å; F389-W396 PolarHBondContact N-O 2.86Å; F389-W396 PolarHBondContact O-N 3.09Å; F389-Y398 HydrophobicContact CE2-CG 4.21Å; F389-M405 HydrophobicContact CD2-CE 3.93Å; F389-M405 HydrophobicContact CE2-CE 4.15Å |
| 390 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.5 | -179.4 | -59.8 | -93.4 | 0 | 0 | 0 | 109.1 | D376 A377 V379 Y395 I413 F417 V424 V427 F436 | D376-F390 PolarHBondContact N-O 2.83Å; A377-F390 HydrophobicContact CB-CB 4.15Å; A377-F390 HydrophobicContact CB-CD2 4.13Å; A377-F390 HydrophobicContact CB-CG 4.46Å; A377-F390 PolarHBondContact N-O 3.33Å; A377-F390 PolarHBondContact O-N 3.13Å; V379-F390 HydrophobicContact CG1-CE2 4.28Å; F390-Y395 HydrophobicContact CE1-CG 4.28Å; F390-I413 HydrophobicContact CD1-CD1 3.87Å; F390-I413 HydrophobicContact CD1-CG1 3.92Å; F390-I413 HydrophobicContact CE1-CG1 4.41Å; F390-F417 HydrophobicContact CE1-CD2 4.04Å; F390-F417 AromaticContact CE1-CE2 3.83Å; F390-F417 HydrophobicContact CE1-CE2 3.83Å; F390-F417 HydrophobicContact CE1-CZ 4.4Å; F390-F417 AromaticContact CZ-CE2 4Å; F390-F417 HydrophobicContact CZ-CE2 4Å; F390-F417 HydrophobicContact CZ-CZ 4.11Å; F390-V424 HydrophobicContact CB-CB 4.24Å; F390-V424 HydrophobicContact CD1-CB 4.4Å; F390-V424 HydrophobicContact CD1-CG2 4.03Å; F390-V424 HydrophobicContact CG-CB 4.3Å; F390-V424 HydrophobicContact CG-CG1 4.46Å; F390-V424 HydrophobicContact CG-CG2 4.41Å; F390-V427 HydrophobicContact CD2-CG1 3.8Å; F390-V427 HydrophobicContact CE2-CG1 3.63Å; F390-F436 AromaticContact CE1-CE1 3.77Å; F390-F436 HydrophobicContact CE1-CE1 3.77Å; F390-F436 HydrophobicContact CE1-CZ 4.28Å; F390-F436 HydrophobicContact CE2-CE1 4.06Å; F390-F436 AromaticContact CZ-CE1 3.51Å; F390-F436 HydrophobicContact CZ-CE1 3.51Å; F390-F436 AromaticContact CZ-CZ 3.89Å; F390-F436 HydrophobicContact CZ-CZ 3.89Å |
| 391 | V | 98.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 114.4 | -178.5 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | V372 I375 D376 D393 M394 | V372-V391 HydrophobicContact CG1-CG1 4.12Å; V372-V391 HydrophobicContact CG1-CG2 3.99Å; I375-V391 HydrophobicContact CD1-CG2 3.74Å; D376-V391 WeakPolarHBondContact OD2-CA 3.32Å; V391-D393 PolarHBondContact O-N 2.96Å; V391-M394 CarbonylContact C-O 3.57Å; V391-M394 PolarHBondContact N-O 2.83Å; V391-M394 CarbonylContact O-C 3.55Å; V391-M394 PolarHBondContact O-N 2.81Å |
| 392 | D | 96.8 | Very high | 96.7 | Very high | 101 Ų | 101 | 51 Ų | 51 | 54% | 0.54 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -122.5 | -172.8 | -62.1 | -56.4 | 0 | 0 | 0 | 111.4 | D376 M394 I413 | D376-D392 PolarHBondContact OD2-N 3.07Å; D392-M394 VanDerWaalsContact C-N 3.33Å; D392-I413 WeakPolarHBondContact O-CD1 3.32Å |
| 393 | D | 97.7 | Very high | 97 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 4.9 | 178.3 | 68.6 | -25.8 | 0 | 0 | 0 | 114 | V391 I413 N422 | V391-D393 PolarHBondContact O-N 2.96Å; D393-I413 WeakPolarHBondContact O-CG1 3.28Å; D393-I413 PolarHBondContact O-N 3.45Å; D393-N422 VanDerWaalsContact CA-O 3.23Å; D393-N422 WeakPolarHBondContact CA-O 3.48Å; D393-N422 HydrophobicContact CB-CB 4.34Å |
| 394 | M | 98.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 162.9 | -175.9 | -67 | -164.2 | -62.8 | 0 | 0 | 112.4 | V391 D392 P410 K411 L412 | V391-M394 CarbonylContact C-O 3.57Å; V391-M394 PolarHBondContact N-O 2.83Å; V391-M394 CarbonylContact O-C 3.55Å; V391-M394 PolarHBondContact O-N 2.81Å; D392-M394 VanDerWaalsContact C-N 3.33Å; M394-P410 HydrophobicContact CB-CB 4.04Å; M394-P410 HydrophobicContact CE-CB 4.17Å; M394-P410 HydrophobicContact CE-CG 3.85Å; M394-P410 HydrophobicContact CG-CB 4.42Å; M394-P410 HydrophobicContact SD-CB 3.72Å; M394-P410 HydrophobicContact SD-CG 3.54Å; M394-P410 VanDerWaalsContact SD-CG 3.54Å; M394-K411 CarbonylContact C-O 3.47Å; M394-K411 WeakPolarHBondContact CA-O 3.49Å; M394-L412 HydrophobicContact CG-CD2 4.42Å |
| 395 | Y | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.9 | 169.4 | 84.7 | -76.8 | 0 | 0 | 0 | 111.8 | Y388 F389 F390 Y409 P410 K411 D416 F417 | Y388-Y395 AromaticContact CD1-CD2 3.89Å; Y388-Y395 HydrophobicContact CD1-CD2 3.89Å; Y388-Y395 AromaticContact CD1-CE2 3.58Å; Y388-Y395 HydrophobicContact CD1-CE2 3.58Å; Y388-Y395 HydrophobicContact CE1-CE2 4.04Å; F389-Y395 CarbonylContact O-C 3.49Å; F389-Y395 WeakPolarHBondContact O-CA 3.36Å; F389-Y395 WeakPolarHBondContact O-CB 3.44Å; F390-Y395 HydrophobicContact CE1-CG 4.28Å; Y395-Y409 AromaticContact CD2-CE1 3.99Å; Y395-Y409 HydrophobicContact CD2-CE1 3.99Å; Y395-Y409 HydrophobicContact CE1-CE1 4.15Å; Y395-Y409 HydrophobicContact CE2-CD1 4.37Å; Y395-Y409 AromaticContact CE2-CE1 3.39Å; Y395-Y409 HydrophobicContact CE2-CE1 3.39Å; Y395-Y409 AromaticContact CZ-CE1 3.5Å; Y395-Y409 VanDerWaalsContact CZ-CE1 3.5Å; Y395-Y409 WeakPolarHBondContact O-CD1 3.31Å; Y395-Y409 PolarHBondContact OH-OH 3.1Å; Y395-P410 WeakPolarHBondContact O-CA 3.44Å; Y395-K411 HydrophobicContact CD1-CB 4.11Å; Y395-K411 WeakPolarHBondContact CD1-O 3.47Å; Y395-K411 HydrophobicContact CE1-CB 3.62Å; Y395-K411 HydrophobicContact CE1-CD 4.45Å; Y395-K411 PolarHBondContact N-O 3.36Å; Y395-K411 PolarHBondContact O-N 3.12Å; Y395-D416 HydrophobicContact CE1-CB 3.84Å; Y395-D416 WeakPolarHBondContact OH-CB 3.44Å; Y395-D416 PolarHBondContact OH-OD2 2.77Å; Y395-F417 HydrophobicContact CD1-CD2 4.47Å; Y395-F417 HydrophobicContact CD1-CE2 4.07Å; Y395-F417 HydrophobicContact CD2-CE2 4.03Å; Y395-F417 HydrophobicContact CE1-CD2 4.35Å; Y395-F417 AromaticContact CE1-CE2 3.87Å; Y395-F417 HydrophobicContact CE1-CE2 3.87Å; Y395-F417 AromaticContact CE2-CE2 3.81Å; Y395-F417 HydrophobicContact CE2-CE2 3.81Å; Y395-F417 HydrophobicContact CE2-CZ 4.3Å; Y395-F417 HydrophobicContact CG-CE2 4.14Å; Y395-F417 AromaticContact CZ-CE2 3.71Å |
| 396 | W | 98.7 | Very high | 97.6 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.7 | 175.3 | -63.3 | 89.4 | 0 | 0 | 0 | 109.9 | F368 P369 Y388 F389 M405 Y409 P410 | F368-W396 HydrophobicContact CD1-CG 4.33Å; F368-W396 HydrophobicContact CE1-CB 4.06Å; F368-W396 AromaticContact CE1-CD1 3.5Å; F368-W396 VanDerWaalsContact CE1-CD1 3.5Å; F368-W396 HydrophobicContact CE1-CD2 4.38Å; F368-W396 AromaticContact CE1-CG 3.71Å; F368-W396 HydrophobicContact CE1-CG 3.71Å; F368-W396 AromaticContact CE1-NE1 4Å; P369-W396 HydrophobicContact CG-CH2 4.11Å; P369-W396 HydrophobicContact CG-CZ2 4.04Å; Y388-W396 WeakPolarHBondContact CA-O 3.35Å; F389-W396 HydrophobicContact CB-CB 4.36Å; F389-W396 PolarHBondContact N-O 2.86Å; F389-W396 PolarHBondContact O-N 3.09Å; W396-M405 HydrophobicContact CB-CE 4.15Å; W396-M405 HydrophobicContact CB-SD 3.95Å; W396-M405 HydrophobicContact CE3-SD 4.49Å; W396-Y409 WeakPolarHBondContact CZ3-O 3.16Å; W396-P410 HydrophobicContact CD2-CB 3.89Å; W396-P410 VanDerWaalsContact CE2-CB 3.49Å; W396-P410 HydrophobicContact CE3-CB 4.28Å; W396-P410 HydrophobicContact CG-CB 4.49Å; W396-P410 HydrophobicContact CH2-CB 3.99Å; W396-P410 HydrophobicContact CH2-CG 3.64Å; W396-P410 VanDerWaalsContact CH2-N 3.31Å; W396-P410 HydrophobicContact CZ2-CB 3.56Å; W396-P410 HydrophobicContact CZ2-CG 3.37Å; W396-P410 HydrophobicContact CZ3-CB 4.32Å; W396-P410 HydrophobicContact CZ3-CG 4.33Å |
| 397 | R | 98.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.3 | 171.8 | -162.9 | 174.4 | 69 | -166 | -2.9 | 110.8 | K386 T387 Y388 D406 Y409 | K386-R397 HydrophobicContact CB-CG 4.04Å; K386-R397 HydrophobicContact CD-CG 4.4Å; T387-R397 CarbonylContact O-C 3.52Å; T387-R397 VanDerWaalsContact O-CA 3.29Å; T387-R397 WeakPolarHBondContact O-CA 3.11Å; Y388-R397 HydrophobicContact CD1-CG 4.18Å; Y388-R397 HydrophobicContact CE1-CG 3.96Å; R397-D406 IonicContact CZ-OD2 3.42Å; R397-D406 VanDerWaalsContact CZ-OD2 3.22Å; R397-D406 IonicContact NE-OD2 3.79Å; R397-D406 PolarHBondContact NE-OD2 2.92Å; R397-D406 IonicContact NH2-OD2 3.85Å; R397-D406 PolarHBondContact NH2-OD2 3.37Å; R397-D406 PolarHBondContact O-N 3.41Å; R397-Y409 HydrophobicContact CB-CD1 4.36Å; R397-Y409 HydrophobicContact CB-CD2 4.02Å; R397-Y409 HydrophobicContact CB-CE1 3.87Å; R397-Y409 HydrophobicContact CB-CE2 3.48Å; R397-Y409 VanDerWaalsContact CB-CE2 3.48Å; R397-Y409 HydrophobicContact CB-CG 4.43Å |
| 398 | Y | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 140.5 | 178.4 | -177.3 | -97.2 | 0 | 0 | 0 | 110.1 | F366 K386 T387 F389 E400 R403 S404 M405 | F366-Y398 HydrophobicContact CB-CE2 4.49Å; F366-Y398 HydrophobicContact CD1-CD1 4.15Å; F366-Y398 AromaticContact CD1-CD2 3.92Å; F366-Y398 HydrophobicContact CD1-CD2 3.92Å; F366-Y398 HydrophobicContact CD1-CE1 4.02Å; F366-Y398 AromaticContact CD1-CE2 3.78Å; F366-Y398 HydrophobicContact CD1-CE2 3.78Å; F366-Y398 HydrophobicContact CD1-CG 4.09Å; F366-Y398 AromaticContact CD1-CZ 3.81Å; F366-Y398 HydrophobicContact CE1-CD1 4.26Å; F366-Y398 HydrophobicContact CE1-CE1 4.09Å; K386-Y398 CarbonylContact C-O 3.47Å; K386-Y398 WeakPolarHBondContact CA-O 3.46Å; T387-Y398 PolarHBondContact N-O 3.16Å; T387-Y398 PolarHBondContact O-N 3.3Å; F389-Y398 HydrophobicContact CE2-CG 4.21Å; Y398-E400 HydrophobicContact CD1-CG 4.32Å; Y398-E400 HydrophobicContact CE1-CG 4.44Å; Y398-R403 VanDerWaalsContact CZ-C 3.43Å; Y398-R403 WeakPolarHBondContact OH-CA 3.33Å; Y398-R403 WeakPolarHBondContact OH-CB 3.41Å; Y398-R403 PolarHBondContact OH-O 3.44Å; Y398-S404 VanDerWaalsContact CE2-N 3.29Å; Y398-M405 HydrophobicContact CD2-CE 4.24Å; Y398-M405 HydrophobicContact CD2-CG 4.28Å; Y398-M405 HydrophobicContact CD2-SD 4.07Å; Y398-M405 HydrophobicContact CG-SD 4.46Å |
| 399 | D | 97.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.9 | 176.8 | -175.2 | -43 | 0 | 0 | 0 | 109.2 | K386 Y401 R402 R403 S404 | K386-D399 HydrophobicContact CD-CB 4.2Å; K386-D399 IonicContact NZ-OD2 2.68Å; K386-D399 PolarHBondContact NZ-OD2 3.31Å; D399-Y401 VanDerWaalsContact C-N 3.25Å; D399-Y401 PolarHBondContact O-N 3.46Å; D399-Y401 WeakPolarHBondContact OD1-CA 3.19Å; D399-Y401 VanDerWaalsContact OD1-CB 3.29Å; D399-Y401 WeakPolarHBondContact OD1-CB 3.31Å; D399-Y401 PolarHBondContact OD1-N 3.33Å; D399-R402 HydrophobicContact CB-CB 4Å; D399-R402 HydrophobicContact CB-CG 4.37Å; D399-R402 PolarHBondContact O-N 3.48Å; D399-R402 PolarHBondContact OD1-N 3.14Å; D399-R402 WeakPolarHBondContact OD2-CD 3.23Å; D399-R403 VanDerWaalsContact O-CA 3.28Å; D399-R403 WeakPolarHBondContact O-CA 3.27Å; D399-R403 PolarHBondContact O-N 2.8Å; D399-S404 PolarHBondContact N-O 3.2Å; D399-S404 PolarHBondContact O-N 3.22Å |
| 400 | E | 96.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.065 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.1 | -178.1 | -69.1 | -73.5 | -177.2 | 0 | 0 | 112.6 | Y330 I334 R339 G385 T387 Y398 R403 | Y330-E400 WeakPolarHBondContact CE2-OE1 3.23Å; Y330-E400 PolarHBondContact OH-OE1 2.63Å; I334-E400 HydrophobicContact CG2-CB 4.27Å; R339-E400 IonicContact CZ-OE1 3.91Å; R339-E400 IonicContact CZ-OE2 3.64Å; R339-E400 VanDerWaalsContact NH1-CD 3.33Å; R339-E400 IonicContact NH1-OE1 3.73Å; R339-E400 PolarHBondContact NH1-OE1 3.13Å; R339-E400 IonicContact NH1-OE2 3.19Å; R339-E400 PolarHBondContact NH1-OE2 2.91Å; R339-E400 IonicContact NH2-OE1 3.52Å; R339-E400 IonicContact NH2-OE2 3.42Å; R339-E400 PolarHBondContact NH2-OE2 3.09Å; R339-E400 VanDerWaalsContact NH2-OE2 3.09Å; G385-E400 WeakPolarHBondContact O-CB 3.39Å; G385-E400 PolarHBondContact O-N 2.88Å; T387-E400 WeakPolarHBondContact OG1-CG 3.45Å; T387-E400 PolarHBondContact OG1-OE1 3.35Å; T387-E400 VanDerWaalsContact OG1-OE1 3.1Å; Y398-E400 HydrophobicContact CD1-CG 4.32Å; Y398-E400 HydrophobicContact CE1-CG 4.44Å; E400-R403 WeakPolarHBondContact O-CG 3.24Å |
| 401 | Y | 94.3 | Very high | 97.4 | Very high | 149 Ų | 149 | 61.1 Ų | 61.1 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -46.9 | 176.2 | -61.6 | -87.3 | 0 | 0 | 0 | 111.6 | I334 T384 D399 R403 | I334-Y401 HydrophobicContact CD1-CD1 3.73Å; I334-Y401 HydrophobicContact CD1-CD2 4.38Å; I334-Y401 HydrophobicContact CD1-CE1 3.06Å; I334-Y401 HydrophobicContact CD1-CE2 3.78Å; I334-Y401 HydrophobicContact CD1-CG 4.36Å; I334-Y401 WeakPolarHBondContact CD1-OH 3.27Å; I334-Y401 HydrophobicContact CG1-CE1 4.42Å; T384-Y401 WeakPolarHBondContact O-CE2 3.05Å; D399-Y401 VanDerWaalsContact C-N 3.25Å; D399-Y401 PolarHBondContact O-N 3.46Å; D399-Y401 WeakPolarHBondContact OD1-CA 3.19Å; D399-Y401 VanDerWaalsContact OD1-CB 3.29Å; D399-Y401 WeakPolarHBondContact OD1-CB 3.31Å; D399-Y401 PolarHBondContact OD1-N 3.33Å; Y401-R403 VanDerWaalsContact C-N 3.28Å |
| 402 | R | 95.3 | Very high | 97.4 | Very high | 167 Ų | 167 | 63.5 Ų | 63.5 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -13.9 | 179.7 | -65 | 177.3 | 57 | 150.9 | -1.6 | 112.8 | D399 S404 | D399-R402 HydrophobicContact CB-CB 4Å; D399-R402 HydrophobicContact CB-CG 4.37Å; D399-R402 PolarHBondContact O-N 3.48Å; D399-R402 PolarHBondContact OD1-N 3.14Å; D399-R402 WeakPolarHBondContact OD2-CD 3.23Å; R402-S404 VanDerWaalsContact C-N 3.27Å; R402-S404 PolarHBondContact O-N 2.79Å; R402-S404 PolarHBondContact O-OG 3.27Å |
| 403 | R | 95.5 | Very high | 97.4 | Very high | 166 Ų | 166 | 58.7 Ų | 58.7 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 47.1 | -175.4 | -58.6 | -177.5 | 65.5 | -175.4 | 1.1 | 112.6 | Y398 D399 E400 Y401 | Y398-R403 VanDerWaalsContact CZ-C 3.43Å; Y398-R403 WeakPolarHBondContact OH-CA 3.33Å; Y398-R403 WeakPolarHBondContact OH-CB 3.41Å; Y398-R403 PolarHBondContact OH-O 3.44Å; D399-R403 VanDerWaalsContact O-CA 3.28Å; D399-R403 WeakPolarHBondContact O-CA 3.27Å; D399-R403 PolarHBondContact O-N 2.8Å; E400-R403 WeakPolarHBondContact O-CG 3.24Å; Y401-R403 VanDerWaalsContact C-N 3.28Å |
| 404 | S | 97.2 | Very high | 97.4 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 154.4 | -179.8 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | Y398 D399 R402 | Y398-S404 VanDerWaalsContact CE2-N 3.29Å; D399-S404 PolarHBondContact N-O 3.2Å; D399-S404 PolarHBondContact O-N 3.22Å; R402-S404 VanDerWaalsContact C-N 3.27Å; R402-S404 PolarHBondContact O-N 2.79Å; R402-S404 PolarHBondContact O-OG 3.27Å |
| 405 | M | 98 | Very high | 97.3 | Very high | 38 Ų | 38 | 62 Ų | 62 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 137.9 | 170.9 | -70.5 | -66.2 | 178.4 | 0 | 0 | 110.9 | F366 F368 F389 W396 Y398 | F366-M405 HydrophobicContact CB-CE 4.09Å; F368-M405 HydrophobicContact CD1-CE 4.04Å; F368-M405 HydrophobicContact CD2-CE 4.06Å; F368-M405 HydrophobicContact CE1-CE 3.6Å; F368-M405 HydrophobicContact CE2-CE 3.61Å; F368-M405 HydrophobicContact CG-CE 4.27Å; F368-M405 HydrophobicContact CZ-CE 3.36Å; F389-M405 HydrophobicContact CD2-CE 3.93Å; F389-M405 HydrophobicContact CE2-CE 4.15Å; W396-M405 HydrophobicContact CB-CE 4.15Å; W396-M405 HydrophobicContact CB-SD 3.95Å; W396-M405 HydrophobicContact CE3-SD 4.49Å; Y398-M405 HydrophobicContact CD2-CE 4.24Å; Y398-M405 HydrophobicContact CD2-CG 4.28Å; Y398-M405 HydrophobicContact CD2-SD 4.07Å; Y398-M405 HydrophobicContact CG-SD 4.46Å |
| 406 | D | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 146.4 | 170.5 | -85.2 | -19.3 | 0 | 0 | 0 | 110.1 | K386 R397 Y409 | K386-D406 VanDerWaalsContact NZ-CG 3.34Å; K386-D406 IonicContact NZ-OD1 3.51Å; K386-D406 PolarHBondContact NZ-OD1 2.98Å; K386-D406 IonicContact NZ-OD2 2.82Å; K386-D406 PolarHBondContact NZ-OD2 3.26Å; R397-D406 IonicContact CZ-OD2 3.42Å; R397-D406 VanDerWaalsContact CZ-OD2 3.22Å; R397-D406 IonicContact NE-OD2 3.79Å; R397-D406 PolarHBondContact NE-OD2 2.92Å; R397-D406 IonicContact NH2-OD2 3.85Å; R397-D406 PolarHBondContact NH2-OD2 3.37Å; R397-D406 PolarHBondContact O-N 3.41Å; D406-Y409 HydrophobicContact CB-CD2 3.9Å; D406-Y409 HydrophobicContact CB-CE2 3.91Å; D406-Y409 WeakPolarHBondContact O-CD2 3.49Å |
| 407 | P | 97.3 | Very high | 97.1 | Very high | 110 Ų | 110 | 62 Ų | 62 | 71% | 0.714 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 150.2 | 176.5 | 29.2 | -35 | 0 | 0 | 0 | 111.6 | ||
| 408 | G | 96.5 | Very high | 96.9 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 19.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K411 | G408-K411 WeakPolarHBondContact O-CG 3.49Š|
| 409 | Y | 97.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 64 Ų | 64 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | trans | -106.6 | 153.4 | 169.5 | -75.6 | -81.6 | 0 | 0 | 0 | 110.6 | Y395 W396 R397 D406 K411 | Y395-Y409 AromaticContact CD2-CE1 3.99Å; Y395-Y409 HydrophobicContact CD2-CE1 3.99Å; Y395-Y409 HydrophobicContact CE1-CE1 4.15Å; Y395-Y409 HydrophobicContact CE2-CD1 4.37Å; Y395-Y409 AromaticContact CE2-CE1 3.39Å; Y395-Y409 HydrophobicContact CE2-CE1 3.39Å; Y395-Y409 AromaticContact CZ-CE1 3.5Å; Y395-Y409 VanDerWaalsContact CZ-CE1 3.5Å; Y395-Y409 WeakPolarHBondContact O-CD1 3.31Å; Y395-Y409 PolarHBondContact OH-OH 3.1Å; W396-Y409 WeakPolarHBondContact CZ3-O 3.16Å; R397-Y409 HydrophobicContact CB-CD1 4.36Å; R397-Y409 HydrophobicContact CB-CD2 4.02Å; R397-Y409 HydrophobicContact CB-CE1 3.87Å; R397-Y409 HydrophobicContact CB-CE2 3.48Å; R397-Y409 VanDerWaalsContact CB-CE2 3.48Å; R397-Y409 HydrophobicContact CB-CG 4.43Å; D406-Y409 HydrophobicContact CB-CD2 3.9Å; D406-Y409 HydrophobicContact CB-CE2 3.91Å; D406-Y409 WeakPolarHBondContact O-CD2 3.49Å; Y409-K411 HydrophobicContact CD1-CB 4.26Å; Y409-K411 HydrophobicContact CD1-CD 4.3Å; Y409-K411 HydrophobicContact CD1-CG 3.91Å; Y409-K411 HydrophobicContact CE1-CB 4.19Å; Y409-K411 HydrophobicContact CE1-CD 3.79Å; Y409-K411 HydrophobicContact CE1-CG 3.88Å | ||
| 410 | P | 98.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 31% | 0.312 | 34% | 0.341 | S | S | . | . | cis | -77.6 | 166.1 | 6.9 | 27.7 | -18.3 | 0 | 0 | 0 | 112.2 | M394 Y395 W396 | M394-P410 HydrophobicContact CB-CB 4.04Å; M394-P410 HydrophobicContact CE-CB 4.17Å; M394-P410 HydrophobicContact CE-CG 3.85Å; M394-P410 HydrophobicContact CG-CB 4.42Å; M394-P410 HydrophobicContact SD-CB 3.72Å; M394-P410 HydrophobicContact SD-CG 3.54Å; M394-P410 VanDerWaalsContact SD-CG 3.54Å; Y395-P410 WeakPolarHBondContact O-CA 3.44Å; W396-P410 HydrophobicContact CD2-CB 3.89Å; W396-P410 VanDerWaalsContact CE2-CB 3.49Å; W396-P410 HydrophobicContact CE3-CB 4.28Å; W396-P410 HydrophobicContact CG-CB 4.49Å; W396-P410 HydrophobicContact CH2-CB 3.99Å; W396-P410 HydrophobicContact CH2-CG 3.64Å; W396-P410 VanDerWaalsContact CH2-N 3.31Å; W396-P410 HydrophobicContact CZ2-CB 3.56Å; W396-P410 HydrophobicContact CZ2-CG 3.37Å; W396-P410 HydrophobicContact CZ3-CB 4.32Å; W396-P410 HydrophobicContact CZ3-CG 4.33Å | ||
| 411 | K | 98.3 | Very high | 96.5 | Very high | 73 Ų | 73 | 64.7 Ų | 64.7 | 32% | 0.317 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 158.7 | 172.3 | -67.5 | -174.3 | 180 | -176.6 | 0 | 110.9 | M394 Y395 G408 Y409 D416 | M394-K411 CarbonylContact C-O 3.47Å; M394-K411 WeakPolarHBondContact CA-O 3.49Å; Y395-K411 HydrophobicContact CD1-CB 4.11Å; Y395-K411 WeakPolarHBondContact CD1-O 3.47Å; Y395-K411 HydrophobicContact CE1-CB 3.62Å; Y395-K411 HydrophobicContact CE1-CD 4.45Å; Y395-K411 PolarHBondContact N-O 3.36Å; Y395-K411 PolarHBondContact O-N 3.12Å; G408-K411 WeakPolarHBondContact O-CG 3.49Å; Y409-K411 HydrophobicContact CD1-CB 4.26Å; Y409-K411 HydrophobicContact CD1-CD 4.3Å; Y409-K411 HydrophobicContact CD1-CG 3.91Å; Y409-K411 HydrophobicContact CE1-CB 4.19Å; Y409-K411 HydrophobicContact CE1-CD 3.79Å; Y409-K411 HydrophobicContact CE1-CG 3.88Å; K411-D416 VanDerWaalsContact CD-OD2 3.24Å; K411-D416 WeakPolarHBondContact CD-OD2 3.39Å; K411-D416 IonicContact NZ-OD2 3.57Å |
| 412 | L | 98.1 | Very high | 96.5 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.4 | 175 | -71.1 | 173.1 | 0 | 0 | 0 | 111 | M394 T414 E415 | M394-L412 HydrophobicContact CG-CD2 4.42Å; L412-T414 VanDerWaalsContact C-N 3.25Å; L412-T414 PolarHBondContact O-N 3.02Å; L412-E415 HydrophobicContact CB-CB 4.43Å; L412-E415 HydrophobicContact CB-CG 3.96Å; L412-E415 HydrophobicContact CD1-CG 4.37Å; L412-E415 PolarHBondContact O-N 3.43Å |
| 413 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 176.2 | -63.4 | 170 | 0 | 0 | 0 | 110.1 | F390 D392 D393 E415 D416 F417 V424 | F390-I413 HydrophobicContact CD1-CD1 3.87Å; F390-I413 HydrophobicContact CD1-CG1 3.92Å; F390-I413 HydrophobicContact CE1-CG1 4.41Å; D392-I413 WeakPolarHBondContact O-CD1 3.32Å; D393-I413 WeakPolarHBondContact O-CG1 3.28Å; D393-I413 PolarHBondContact O-N 3.45Å; I413-E415 PolarHBondContact O-N 3.47Å; I413-D416 PolarHBondContact O-N 3.5Å; I413-F417 HydrophobicContact CG2-CB 4.21Å; I413-F417 HydrophobicContact CG2-CD2 4.34Å; I413-F417 WeakPolarHBondContact O-CA 3.33Å; I413-F417 WeakPolarHBondContact O-CB 3.32Å; I413-F417 PolarHBondContact O-N 3.06Å; I413-V424 HydrophobicContact CD1-CG2 4.26Å; I413-V424 HydrophobicContact CG2-CG2 4.43Å |
| 414 | T | 96.5 | Very high | 96.5 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -21.1 | -175.3 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | L412 G421 N422 | L412-T414 VanDerWaalsContact C-N 3.25Å; L412-T414 PolarHBondContact O-N 3.02Å; T414-G421 WeakPolarHBondContact CG2-O 3.37Å; T414-N422 HydrophobicContact CG2-CB 4.12Å |
| 415 | E | 95.6 | Very high | 96.5 | Very high | 134 Ų | 134 | 51.1 Ų | 51.1 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -78.2 | -41.5 | 177.8 | -70.3 | -176.4 | 169.4 | 0 | 0 | 111.6 | L412 I413 | L412-E415 HydrophobicContact CB-CB 4.43Å; L412-E415 HydrophobicContact CB-CG 3.96Å; L412-E415 HydrophobicContact CD1-CG 4.37Å; L412-E415 PolarHBondContact O-N 3.43Å; I413-E415 PolarHBondContact O-N 3.47Å |
| 416 | D | 96.1 | Very high | 96.5 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -103.7 | -15.6 | -172.3 | -81.9 | -40.1 | 0 | 0 | 0 | 113.4 | Y395 K411 I413 P418 R450 | Y395-D416 HydrophobicContact CE1-CB 3.84Å; Y395-D416 WeakPolarHBondContact OH-CB 3.44Å; Y395-D416 PolarHBondContact OH-OD2 2.77Å; K411-D416 VanDerWaalsContact CD-OD2 3.24Å; K411-D416 WeakPolarHBondContact CD-OD2 3.39Å; K411-D416 IonicContact NZ-OD2 3.57Å; I413-D416 PolarHBondContact O-N 3.5Å; D416-P418 VanDerWaalsContact C-CD 3.48Å; D416-R450 PolarHBondContact O-NH1 2.93Å; D416-R450 PolarHBondContact O-NH2 3.34Å; D416-R450 IonicContact OD1-NH2 3.13Å |
| 417 | F | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -129.7 | 64 | 177.3 | -57 | -81.3 | 0 | 0 | 0 | 111.1 | Y388 F390 Y395 I413 G419 V420 F434 F436 F445 | Y388-F417 AromaticContact CD1-CZ 3.99Å; Y388-F417 HydrophobicContact CD1-CZ 3.99Å; Y388-F417 HydrophobicContact CE1-CZ 4.22Å; F390-F417 HydrophobicContact CE1-CD2 4.04Å; F390-F417 AromaticContact CE1-CE2 3.83Å; F390-F417 HydrophobicContact CE1-CE2 3.83Å; F390-F417 HydrophobicContact CE1-CZ 4.4Å; F390-F417 AromaticContact CZ-CE2 4Å; F390-F417 HydrophobicContact CZ-CE2 4Å; F390-F417 HydrophobicContact CZ-CZ 4.11Å; Y395-F417 HydrophobicContact CD1-CD2 4.47Å; Y395-F417 HydrophobicContact CD1-CE2 4.07Å; Y395-F417 HydrophobicContact CD2-CE2 4.03Å; Y395-F417 HydrophobicContact CE1-CD2 4.35Å; Y395-F417 AromaticContact CE1-CE2 3.87Å; Y395-F417 HydrophobicContact CE1-CE2 3.87Å; Y395-F417 AromaticContact CE2-CE2 3.81Å; Y395-F417 HydrophobicContact CE2-CE2 3.81Å; Y395-F417 HydrophobicContact CE2-CZ 4.3Å; Y395-F417 HydrophobicContact CG-CE2 4.14Å; Y395-F417 AromaticContact CZ-CE2 3.71Å; I413-F417 HydrophobicContact CG2-CB 4.21Å; I413-F417 HydrophobicContact CG2-CD2 4.34Å; I413-F417 WeakPolarHBondContact O-CA 3.33Å; I413-F417 WeakPolarHBondContact O-CB 3.32Å; I413-F417 PolarHBondContact O-N 3.06Å; F417-G419 PolarHBondContact O-N 2.9Å; F417-V420 HydrophobicContact CB-CB 4.33Å; F417-V420 HydrophobicContact CB-CG2 3.98Å; F417-V420 PolarHBondContact O-N 2.7Å; F417-F434 HydrophobicContact CE1-CD2 4.02Å; F417-F434 HydrophobicContact CE1-CE2 4.1Å; F417-F436 AromaticContact CD1-CE2 3.97Å; F417-F436 HydrophobicContact CD1-CE2 3.97Å; F417-F436 AromaticContact CD1-CZ 3.65Å; F417-F436 HydrophobicContact CD1-CZ 3.65Å; F417-F436 HydrophobicContact CE1-CE2 4.5Å; F417-F436 AromaticContact CE1-CZ 3.96Å; F417-F436 HydrophobicContact CE1-CZ 3.96Å; F417-F436 HydrophobicContact CG-CZ 4.05Å; F417-F445 HydrophobicContact CB-CE2 4.36Å; F417-F445 HydrophobicContact CD1-CD1 4.18Å; F417-F445 AromaticContact CD1-CE1 3.82Å; F417-F445 HydrophobicContact CD1-CE1 3.82Å; F417-F445 HydrophobicContact CD1-CE2 4.37Å; F417-F445 AromaticContact CD1-CZ 3.91Å; F417-F445 HydrophobicContact CD1-CZ 3.91Å; F417-F445 HydrophobicContact CE1-CE1 4.3Å |
| 418 | P | 96.3 | Very high | 96.5 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 131 | -176.5 | 26.3 | -35.7 | 0 | 0 | 0 | 111.6 | D416 R450 | D416-P418 VanDerWaalsContact C-CD 3.48Å; P418-R450 WeakPolarHBondContact CG-O 3.47Å |
| 419 | G | 93.7 | Very high | 96.5 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 60% | 0.598 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | -10.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F417 | F417-G419 PolarHBondContact O-N 2.9Š|
| 420 | V | 94.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -78.2 | -30.7 | 176.8 | 175.7 | 0 | 0 | 0 | 0 | 112 | F417 V424 F436 F445 V452 | F417-V420 HydrophobicContact CB-CB 4.33Å; F417-V420 HydrophobicContact CB-CG2 3.98Å; F417-V420 PolarHBondContact O-N 2.7Å; V420-V424 HydrophobicContact CG1-CG2 3.79Å; V420-F436 HydrophobicContact CB-CD2 4.49Å; V420-F436 HydrophobicContact CB-CG 4.44Å; V420-F436 HydrophobicContact CG1-CB 3.76Å; V420-F436 HydrophobicContact CG1-CD1 3.72Å; V420-F436 HydrophobicContact CG1-CD2 4.12Å; V420-F436 HydrophobicContact CG1-CE1 4.29Å; V420-F436 HydrophobicContact CG1-CG 3.6Å; V420-F436 HydrophobicContact CG2-CB 4.38Å; V420-F436 HydrophobicContact CG2-CD2 3.51Å; V420-F436 HydrophobicContact CG2-CE2 3.8Å; V420-F436 HydrophobicContact CG2-CG 3.9Å; V420-F436 HydrophobicContact CG2-CZ 4.43Å; V420-F445 HydrophobicContact CG2-CD2 4.21Å; V420-V452 HydrophobicContact CG2-CG2 3.96Å |
| 421 | G | 93.7 | Very high | 96 | Very high | 36 Ų | 36 | 46.9 Ų | 46.9 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | trans | 106.4 | -166 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T414 | T414-G421 WeakPolarHBondContact CG2-O 3.37Š| ||
| 422 | N | 94.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 44.8 Ų | 44.8 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -111 | 10.8 | -179.9 | 71.1 | -35.1 | 0 | 0 | 0 | 112.8 | D393 T414 | D393-N422 VanDerWaalsContact CA-O 3.23Å; D393-N422 WeakPolarHBondContact CA-O 3.48Å; D393-N422 HydrophobicContact CB-CB 4.34Å; T414-N422 HydrophobicContact CG2-CB 4.12Å |
| 423 | K | 95.1 | Very high | 95.6 | Very high | 96 Ų | 96 | 44.7 Ų | 44.7 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | trans | -145 | 141.6 | 174.6 | -175.4 | 170.3 | 178.9 | -170.9 | 0 | 108.5 | D425 | K423-D425 WeakPolarHBondContact CE-OD1 3.35Å; K423-D425 IonicContact NZ-OD1 3.28Å | ||
| 424 | V | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | trans | -130.1 | 120.2 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | D376 A377 F390 I413 V420 D426 V427 F436 | D376-V424 WeakPolarHBondContact CB-O 3.3Å; A377-V424 HydrophobicContact CB-CB 4.37Å; A377-V424 HydrophobicContact CB-CG1 3.58Å; F390-V424 HydrophobicContact CB-CB 4.24Å; F390-V424 HydrophobicContact CD1-CB 4.4Å; F390-V424 HydrophobicContact CD1-CG2 4.03Å; F390-V424 HydrophobicContact CG-CB 4.3Å; F390-V424 HydrophobicContact CG-CG1 4.46Å; F390-V424 HydrophobicContact CG-CG2 4.41Å; I413-V424 HydrophobicContact CD1-CG2 4.26Å; I413-V424 HydrophobicContact CG2-CG2 4.43Å; V420-V424 HydrophobicContact CG1-CG2 3.79Å; V424-D426 VanDerWaalsContact CG1-O 3.28Å; V424-D426 WeakPolarHBondContact CG1-O 3.3Å; V424-V427 HydrophobicContact CG1-CB 4.28Å; V424-V427 HydrophobicContact CG1-CG1 4.48Å; V424-F436 HydrophobicContact CB-CD1 4.41Å; V424-F436 HydrophobicContact CG1-CD1 3.67Å; V424-F436 HydrophobicContact CG1-CE1 4.28Å; V424-F436 HydrophobicContact CG2-CD1 3.76Å; V424-F436 HydrophobicContact CG2-CE1 4.09Å | ||
| 425 | D | 96.8 | Very high | 95.7 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -86.2 | -27.5 | 175 | -59.6 | -13.1 | 0 | 0 | 0 | 110.6 | K423 F437 H438 E439 | K423-D425 WeakPolarHBondContact CE-OD1 3.35Å; K423-D425 IonicContact NZ-OD1 3.28Å; D425-F437 PolarHBondContact N-O 2.96Å; D425-H438 IonicContact OD1-CE1 3.31Å; D425-H438 IonicContact OD1-ND1 2.82Å; D425-H438 PolarHBondContact OD1-ND1 2.82Å; D425-H438 WeakPolarHBondContact OD2-CA 3.46Å; D425-H438 IonicContact OD2-ND1 3.22Å; D425-H438 PolarHBondContact OD2-ND1 3.2Å; D425-E439 PolarHBondContact OD2-N 3.43Å |
| 426 | D | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 156.5 | 179.2 | -98.7 | -52.1 | 0 | 0 | 0 | 112.7 | A284 I285 V424 F436 F437 | A284-D426 VanDerWaalsContact C-OD2 3.26Å; A284-D426 WeakPolarHBondContact CA-OD1 3.31Å; A284-D426 VanDerWaalsContact CA-OD2 3.23Å; A284-D426 WeakPolarHBondContact CA-OD2 3.32Å; A284-D426 PolarHBondContact N-OD2 3.38Å; I285-D426 HydrophobicContact CB-CB 4.27Å; I285-D426 HydrophobicContact CD1-CB 3.74Å; I285-D426 HydrophobicContact CG1-CB 3.92Å; I285-D426 VanDerWaalsContact N-CG 3.32Å; I285-D426 PolarHBondContact N-OD1 3.47Å; I285-D426 PolarHBondContact N-OD2 3.16Å; V424-D426 VanDerWaalsContact CG1-O 3.28Å; V424-D426 WeakPolarHBondContact CG1-O 3.3Å; D426-F436 CarbonylContact O-C 3.58Å; D426-F436 WeakPolarHBondContact O-CA 3.48Å; D426-F437 HydrophobicContact CB-CB 3.85Å; D426-F437 HydrophobicContact CB-CD2 4.34Å; D426-F437 HydrophobicContact CB-CG 4.34Å; D426-F437 PolarHBondContact N-O 2.96Å; D426-F437 PolarHBondContact O-N 3.24Å |
| 427 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 138.7 | 175.9 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | A377 A378 V379 F390 V424 F434 Y435 F436 | A377-V427 HydrophobicContact CB-CG1 3.76Å; A378-V427 VanDerWaalsContact O-O 3.04Å; V379-V427 HydrophobicContact CB-CG1 3.9Å; V379-V427 HydrophobicContact CB-CG2 4.22Å; V379-V427 HydrophobicContact CG1-CG1 3.82Å; V379-V427 HydrophobicContact CG1-CG2 3.94Å; F390-V427 HydrophobicContact CD2-CG1 3.8Å; F390-V427 HydrophobicContact CE2-CG1 3.63Å; V424-V427 HydrophobicContact CG1-CB 4.28Å; V424-V427 HydrophobicContact CG1-CG1 4.48Å; V427-F434 HydrophobicContact CG2-CB 4.1Å; V427-F434 HydrophobicContact CG2-CG 4.34Å; V427-Y435 WeakPolarHBondContact CA-O 3.33Å; V427-F436 HydrophobicContact CB-CD1 3.81Å; V427-F436 HydrophobicContact CB-CE1 4.01Å; V427-F436 HydrophobicContact CG1-CE1 4.49Å; V427-F436 HydrophobicContact CG2-CD1 3.64Å; V427-F436 HydrophobicContact CG2-CD2 4.43Å; V427-F436 HydrophobicContact CG2-CE1 3.61Å; V427-F436 HydrophobicContact CG2-CE2 4.4Å; V427-F436 HydrophobicContact CG2-CG 4.08Å; V427-F436 HydrophobicContact CG2-CZ 4.01Å |
| 428 | F | 97.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 160 | 167.8 | 74.1 | -87.1 | 0 | 0 | 0 | 112 | I285 T287 V292 K430 F434 Y435 F437 W461 | I285-F428 HydrophobicContact CB-CD1 4.34Å; I285-F428 HydrophobicContact CG2-CB 4.34Å; I285-F428 HydrophobicContact CG2-CD1 3.42Å; I285-F428 VanDerWaalsContact CG2-CD1 3.42Å; I285-F428 HydrophobicContact CG2-CE1 3.92Å; I285-F428 HydrophobicContact CG2-CG 4.1Å; T287-F428 HydrophobicContact CG2-CD2 4.01Å; V292-F428 HydrophobicContact CG1-CD1 4.31Å; V292-F428 HydrophobicContact CG1-CD2 4.26Å; V292-F428 HydrophobicContact CG1-CE1 3.99Å; V292-F428 HydrophobicContact CG1-CE2 3.96Å; V292-F428 HydrophobicContact CG1-CG 4.42Å; V292-F428 HydrophobicContact CG1-CZ 3.8Å; V292-F428 HydrophobicContact CG2-CD2 4.38Å; V292-F428 HydrophobicContact CG2-CE2 3.79Å; V292-F428 HydrophobicContact CG2-CZ 4.19Å; F428-K430 HydrophobicContact CD2-CB 4.14Å; F428-K430 HydrophobicContact CE2-CB 3.75Å; F428-K430 HydrophobicContact CE2-CD 4.17Å; F428-F434 WeakPolarHBondContact O-CA 3.47Å; F428-Y435 HydrophobicContact CD2-CD2 4.46Å; F428-Y435 HydrophobicContact CE1-CG 4.32Å; F428-Y435 AromaticContact CE2-CD2 3.92Å; F428-Y435 HydrophobicContact CE2-CD2 3.92Å; F428-Y435 HydrophobicContact CE2-CG 4.4Å; F428-Y435 HydrophobicContact CZ-CD2 4.02Å; F428-Y435 HydrophobicContact CZ-CG 4.04Å; F428-Y435 PolarHBondContact N-O 3.08Å; F428-Y435 PolarHBondContact O-N 3.41Å; F428-F437 AromaticContact CD1-CE2 3.85Å; F428-F437 HydrophobicContact CD1-CE2 3.85Å; F428-F437 AromaticContact CE1-CE2 3.55Å; F428-F437 HydrophobicContact CE1-CE2 3.55Å; F428-F437 AromaticContact CE1-CZ 3.87Å; F428-F437 HydrophobicContact CE1-CZ 3.87Å; F428-W461 HydrophobicContact CE1-CZ2 4.21Å; F428-W461 HydrophobicContact CE2-CH2 4.13Å; F428-W461 HydrophobicContact CE2-CZ2 4.32Å; F428-W461 HydrophobicContact CZ-CD2 4.46Å; F428-W461 AromaticContact CZ-CE2 3.85Å; F428-W461 AromaticContact CZ-CH2 3.63Å; F428-W461 HydrophobicContact CZ-CH2 3.63Å; F428-W461 AromaticContact CZ-CZ2 3.43Å; F428-W461 HydrophobicContact CZ-CZ2 3.43Å; F428-W461 VanDerWaalsContact CZ-CZ2 3.43Å; F428-W461 HydrophobicContact CZ-CZ3 4.23Å |
| 429 | Q | 96 | Very high | 95.4 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.9 | 176.1 | -173.4 | -174.8 | 6.6 | 0 | 0 | 111 | T287 V379 C380 E383 Y433 F434 L447 | T287-Q429 WeakPolarHBondContact CG2-O 3.48Å; V379-Q429 HydrophobicContact CG2-CB 3.81Å; C380-Q429 PolarHBondContact O-OE1 2.94Å; E383-Q429 PolarHBondContact OE2-NE2 3.24Å; Q429-Y433 CarbonylContact C-O 3.54Å; Q429-Y433 VanDerWaalsContact CA-O 3.31Å; Q429-Y433 WeakPolarHBondContact CA-O 3.26Å; Q429-F434 HydrophobicContact CB-CD1 3.85Å; Q429-F434 HydrophobicContact CB-CE1 3.83Å; Q429-F434 HydrophobicContact CG-CD1 3.97Å; Q429-F434 HydrophobicContact CG-CE1 3.91Å; Q429-L447 HydrophobicContact CG-CD1 4.44Å |
| 430 | K | 93.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 137 | 167.2 | -176 | 168.7 | -178.4 | 173 | 0 | 111.8 | V292 F428 G432 Y433 Y435 W461 | V292-K430 HydrophobicContact CG2-CD 4.1Å; F428-K430 HydrophobicContact CD2-CB 4.14Å; F428-K430 HydrophobicContact CE2-CB 3.75Å; F428-K430 HydrophobicContact CE2-CD 4.17Å; K430-G432 PolarHBondContact O-N 3.12Å; K430-G432 VanDerWaalsContact O-N 3.17Å; K430-Y433 PolarHBondContact N-O 3.38Å; K430-Y433 PolarHBondContact O-N 2.85Å; K430-Y435 HydrophobicContact CB-CD2 4.26Å; K430-Y435 HydrophobicContact CB-CE2 3.88Å; K430-W461 HydrophobicContact CD-CH2 4.25Å; K430-W461 HydrophobicContact CD-CZ3 4.24Å |
| 431 | D | 91.8 | Very high | 95.1 | Very high | 130 Ų | 130 | 40.8 Ų | 40.8 | 70% | 0.695 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.8 | 174.8 | -57.2 | -41.4 | 0 | 0 | 0 | 114.2 | Y433 | D431-Y433 HydrophobicContact CB-CD2 4.45Å; D431-Y433 WeakPolarHBondContact O-CD2 3.5Å; D431-Y433 WeakPolarHBondContact O-CE2 3.45Å |
| 432 | G | 92.7 | Very high | 95.1 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 12 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K430 L447 | K430-G432 PolarHBondContact O-N 3.12Å; K430-G432 VanDerWaalsContact O-N 3.17Å; G432-L447 WeakPolarHBondContact O-CB 3.11Å; G432-L447 WeakPolarHBondContact O-CG 3.41Å; G432-L447 PolarHBondContact O-N 3.24Å |
| 433 | Y | 96.6 | Very high | 95.2 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149.3 | 177.2 | -57.1 | -92.2 | 0 | 0 | 0 | 111 | Q429 K430 D431 R444 F445 N446 | Q429-Y433 CarbonylContact C-O 3.54Å; Q429-Y433 VanDerWaalsContact CA-O 3.31Å; Q429-Y433 WeakPolarHBondContact CA-O 3.26Å; K430-Y433 PolarHBondContact N-O 3.38Å; K430-Y433 PolarHBondContact O-N 2.85Å; D431-Y433 HydrophobicContact CB-CD2 4.45Å; D431-Y433 WeakPolarHBondContact O-CD2 3.5Å; D431-Y433 WeakPolarHBondContact O-CE2 3.45Å; Y433-R444 HydrophobicContact CD1-CG 3.59Å; Y433-R444 HydrophobicContact CE1-CG 4.39Å; Y433-R444 HydrophobicContact CG-CG 3.8Å; Y433-F445 WeakPolarHBondContact CA-O 3.42Å; Y433-N446 HydrophobicContact CD1-CB 4Å; Y433-N446 HydrophobicContact CE1-CB 3.9Å |
| 434 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 132.7 | 157.7 | -73 | -5.9 | 0 | 0 | 0 | 109.1 | V379 E381 Y388 F417 V427 F428 Q429 F436 F445 L447 | V379-F434 HydrophobicContact CG1-CD2 4.24Å; V379-F434 HydrophobicContact CG1-CE1 4.13Å; V379-F434 HydrophobicContact CG1-CE2 3.83Å; V379-F434 HydrophobicContact CG1-CZ 3.77Å; V379-F434 HydrophobicContact CG2-CD1 4.27Å; V379-F434 HydrophobicContact CG2-CE1 3.93Å; V379-F434 HydrophobicContact CG2-CZ 4.35Å; E381-F434 HydrophobicContact CB-CZ 4.36Å; Y388-F434 HydrophobicContact CD2-CE2 4.18Å; Y388-F434 HydrophobicContact CD2-CZ 4.02Å; Y388-F434 HydrophobicContact CE2-CE2 4.35Å; Y388-F434 HydrophobicContact CE2-CZ 4.04Å; Y388-F434 HydrophobicContact CG-CE2 4.5Å; F417-F434 HydrophobicContact CE1-CD2 4.02Å; F417-F434 HydrophobicContact CE1-CE2 4.1Å; V427-F434 HydrophobicContact CG2-CB 4.1Å; V427-F434 HydrophobicContact CG2-CG 4.34Å; F428-F434 WeakPolarHBondContact O-CA 3.47Å; Q429-F434 HydrophobicContact CB-CD1 3.85Å; Q429-F434 HydrophobicContact CB-CE1 3.83Å; Q429-F434 HydrophobicContact CG-CD1 3.97Å; Q429-F434 HydrophobicContact CG-CE1 3.91Å; F434-F436 HydrophobicContact CB-CD2 4.05Å; F434-F436 HydrophobicContact CB-CE2 3.58Å; F434-F436 HydrophobicContact CB-CZ 4.17Å; F434-F436 HydrophobicContact CD2-CE2 4.02Å; F434-F436 AromaticContact CD2-CZ 3.87Å; F434-F436 HydrophobicContact CD2-CZ 3.87Å; F434-F436 HydrophobicContact CG-CE2 4.33Å; F434-F445 HydrophobicContact CB-CB 4.35Å; F434-F445 PolarHBondContact N-O 3.03Å; F434-F445 PolarHBondContact O-N 3.39Å; F434-L447 HydrophobicContact CD1-CD1 3.9Å; F434-L447 HydrophobicContact CD1-CD2 3.84Å; F434-L447 HydrophobicContact CD1-CG 4.19Å; F434-L447 HydrophobicContact CD2-CD2 3.75Å; F434-L447 HydrophobicContact CE1-CD1 3.76Å; F434-L447 HydrophobicContact CE1-CD2 3.86Å; F434-L447 HydrophobicContact CE1-CG 4.35Å; F434-L447 HydrophobicContact CE2-CD2 3.78Å; F434-L447 HydrophobicContact CG-CD2 3.78Å; F434-L447 HydrophobicContact CG-CG 4.44Å; F434-L447 HydrophobicContact CZ-CD1 4.39Å; F434-L447 HydrophobicContact CZ-CD2 3.83Å |
| 435 | Y | 97.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 100.3 | 172.6 | -67 | -92.6 | 0 | 0 | 0 | 107.5 | V427 F428 K430 F437 Y443 R444 W461 | V427-Y435 WeakPolarHBondContact CA-O 3.33Å; F428-Y435 HydrophobicContact CD2-CD2 4.46Å; F428-Y435 HydrophobicContact CE1-CG 4.32Å; F428-Y435 AromaticContact CE2-CD2 3.92Å; F428-Y435 HydrophobicContact CE2-CD2 3.92Å; F428-Y435 HydrophobicContact CE2-CG 4.4Å; F428-Y435 HydrophobicContact CZ-CD2 4.02Å; F428-Y435 HydrophobicContact CZ-CG 4.04Å; F428-Y435 PolarHBondContact N-O 3.08Å; F428-Y435 PolarHBondContact O-N 3.41Å; K430-Y435 HydrophobicContact CB-CD2 4.26Å; K430-Y435 HydrophobicContact CB-CE2 3.88Å; Y435-F437 WeakPolarHBondContact O-CD2 3.46Å; Y435-F437 WeakPolarHBondContact O-CE2 2.83Å; Y435-Y443 WeakPolarHBondContact CA-O 3.4Å; Y435-R444 HydrophobicContact CD1-CB 4.09Å; Y435-R444 HydrophobicContact CD1-CG 3.99Å; Y435-R444 HydrophobicContact CE1-CB 3.95Å; Y435-R444 HydrophobicContact CE1-CG 3.52Å; Y435-R444 WeakPolarHBondContact OH-CD 3.32Å; Y435-W461 HydrophobicContact CD1-CH2 4.3Å; Y435-W461 AromaticContact CD1-CZ2 3.54Å; Y435-W461 HydrophobicContact CD1-CZ2 3.54Å; Y435-W461 HydrophobicContact CD2-CH2 4.48Å; Y435-W461 HydrophobicContact CD2-CZ2 4.29Å; Y435-W461 HydrophobicContact CE1-CH2 4.01Å; Y435-W461 AromaticContact CE1-CZ2 3.61Å; Y435-W461 HydrophobicContact CE1-CZ2 3.61Å; Y435-W461 HydrophobicContact CE2-CH2 4.25Å; Y435-W461 HydrophobicContact CE2-CZ2 4.38Å; Y435-W461 HydrophobicContact CG-CH2 4.5Å; Y435-W461 AromaticContact CG-CZ2 3.87Å; Y435-W461 HydrophobicContact CG-CZ2 3.87Å; Y435-W461 AromaticContact CZ-CH2 4Å |
| 436 | F | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 145 | 177 | -71.3 | -84 | 0 | 0 | 0 | 110.4 | F390 F417 V420 V424 D426 V427 F434 Q442 Y443 F445 | F390-F436 AromaticContact CE1-CE1 3.77Å; F390-F436 HydrophobicContact CE1-CE1 3.77Å; F390-F436 HydrophobicContact CE1-CZ 4.28Å; F390-F436 HydrophobicContact CE2-CE1 4.06Å; F390-F436 AromaticContact CZ-CE1 3.51Å; F390-F436 HydrophobicContact CZ-CE1 3.51Å; F390-F436 AromaticContact CZ-CZ 3.89Å; F390-F436 HydrophobicContact CZ-CZ 3.89Å; F417-F436 AromaticContact CD1-CE2 3.97Å; F417-F436 HydrophobicContact CD1-CE2 3.97Å; F417-F436 AromaticContact CD1-CZ 3.65Å; F417-F436 HydrophobicContact CD1-CZ 3.65Å; F417-F436 HydrophobicContact CE1-CE2 4.5Å; F417-F436 AromaticContact CE1-CZ 3.96Å; F417-F436 HydrophobicContact CE1-CZ 3.96Å; F417-F436 HydrophobicContact CG-CZ 4.05Å; V420-F436 HydrophobicContact CB-CD2 4.49Å; V420-F436 HydrophobicContact CB-CG 4.44Å; V420-F436 HydrophobicContact CG1-CB 3.76Å; V420-F436 HydrophobicContact CG1-CD1 3.72Å; V420-F436 HydrophobicContact CG1-CD2 4.12Å; V420-F436 HydrophobicContact CG1-CE1 4.29Å; V420-F436 HydrophobicContact CG1-CG 3.6Å; V420-F436 HydrophobicContact CG2-CB 4.38Å; V420-F436 HydrophobicContact CG2-CD2 3.51Å; V420-F436 HydrophobicContact CG2-CE2 3.8Å; V420-F436 HydrophobicContact CG2-CG 3.9Å; V420-F436 HydrophobicContact CG2-CZ 4.43Å; V424-F436 HydrophobicContact CB-CD1 4.41Å; V424-F436 HydrophobicContact CG1-CD1 3.67Å; V424-F436 HydrophobicContact CG1-CE1 4.28Å; V424-F436 HydrophobicContact CG2-CD1 3.76Å; V424-F436 HydrophobicContact CG2-CE1 4.09Å; D426-F436 CarbonylContact O-C 3.58Å; D426-F436 WeakPolarHBondContact O-CA 3.48Å; V427-F436 HydrophobicContact CB-CD1 3.81Å; V427-F436 HydrophobicContact CB-CE1 4.01Å; V427-F436 HydrophobicContact CG1-CE1 4.49Å; V427-F436 HydrophobicContact CG2-CD1 3.64Å; V427-F436 HydrophobicContact CG2-CD2 4.43Å; V427-F436 HydrophobicContact CG2-CE1 3.61Å; V427-F436 HydrophobicContact CG2-CE2 4.4Å; V427-F436 HydrophobicContact CG2-CG 4.08Å; V427-F436 HydrophobicContact CG2-CZ 4.01Å; F434-F436 HydrophobicContact CB-CD2 4.05Å; F434-F436 HydrophobicContact CB-CE2 3.58Å; F434-F436 HydrophobicContact CB-CZ 4.17Å; F434-F436 HydrophobicContact CD2-CE2 4.02Å; F434-F436 AromaticContact CD2-CZ 3.87Å; F434-F436 HydrophobicContact CD2-CZ 3.87Å; F434-F436 HydrophobicContact CG-CE2 4.33Å; F436-Q442 CarbonylContact O-C 3.51Å; F436-Q442 WeakPolarHBondContact O-CA 3.49Å; F436-Y443 PolarHBondContact N-O 2.71Å; F436-Y443 PolarHBondContact O-N 3.44Å; F436-F445 HydrophobicContact CD2-CB 3.83Å; F436-F445 HydrophobicContact CE2-CB 3.75Å; F436-F445 HydrophobicContact CE2-CD1 4.41Å; F436-F445 HydrophobicContact CE2-CG 4.07Å |
| 437 | F | 96.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.022 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.2 | 177.7 | -68.1 | -106.3 | 0 | 0 | 0 | 109.8 | F282 I285 F294 D425 D426 F428 Y435 N441 Q442 W461 | F282-F437 HydrophobicContact CD2-CD1 4.36Å; F282-F437 HydrophobicContact CE2-CE1 4.35Å; I285-F437 HydrophobicContact CD1-CB 4.43Å; I285-F437 HydrophobicContact CD1-CD1 3.8Å; I285-F437 HydrophobicContact CD1-CD2 3.52Å; I285-F437 HydrophobicContact CD1-CE1 3.82Å; I285-F437 HydrophobicContact CD1-CE2 3.59Å; I285-F437 HydrophobicContact CD1-CG 3.64Å; I285-F437 HydrophobicContact CD1-CZ 3.73Å; F294-F437 HydrophobicContact CE1-CE1 4.19Å; F294-F437 HydrophobicContact CE1-CZ 4.02Å; D425-F437 PolarHBondContact N-O 2.96Å; D426-F437 HydrophobicContact CB-CB 3.85Å; D426-F437 HydrophobicContact CB-CD2 4.34Å; D426-F437 HydrophobicContact CB-CG 4.34Å; D426-F437 PolarHBondContact N-O 2.96Å; D426-F437 PolarHBondContact O-N 3.24Å; F428-F437 AromaticContact CD1-CE2 3.85Å; F428-F437 HydrophobicContact CD1-CE2 3.85Å; F428-F437 AromaticContact CE1-CE2 3.55Å; F428-F437 HydrophobicContact CE1-CE2 3.55Å; F428-F437 AromaticContact CE1-CZ 3.87Å; F428-F437 HydrophobicContact CE1-CZ 3.87Å; Y435-F437 WeakPolarHBondContact O-CD2 3.46Å; Y435-F437 WeakPolarHBondContact O-CE2 2.83Å; F437-N441 WeakPolarHBondContact CA-O 3.42Å; F437-Q442 HydrophobicContact CD1-CB 3.87Å; F437-Q442 HydrophobicContact CE1-CB 3.7Å; F437-Q442 HydrophobicContact CE2-CB 4.41Å; F437-Q442 HydrophobicContact CG-CB 4.32Å; F437-Q442 HydrophobicContact CZ-CB 3.97Å; F437-W461 AromaticContact CZ-NE1 3.66Å |
| 438 | H | 94.8 | Very high | 95 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 123.4 | 169.4 | -175.9 | 48.3 | 0 | 0 | 0 | 108.9 | D425 S440 N441 Y443 | D425-H438 IonicContact OD1-CE1 3.31Å; D425-H438 IonicContact OD1-ND1 2.82Å; D425-H438 PolarHBondContact OD1-ND1 2.82Å; D425-H438 WeakPolarHBondContact OD2-CA 3.46Å; D425-H438 IonicContact OD2-ND1 3.22Å; D425-H438 PolarHBondContact OD2-ND1 3.2Å; H438-S440 PolarHBondContact O-N 3.42Å; H438-N441 PolarHBondContact N-O 3.12Å; H438-N441 PolarHBondContact O-N 3.41Å; H438-Y443 HydrophobicContact CB-CE2 4.36Å |
| 439 | E | 90.4 | Very high | 94.9 | Very high | 120 Ų | 120 | 48.9 Ų | 48.9 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -120.5 | -168.6 | -56.4 | -177.1 | 160.1 | 0 | 0 | 111.2 | N281 D425 | N281-E439 WeakPolarHBondContact CB-O 3.5Å; D425-E439 PolarHBondContact OD2-N 3.43Å |
| 440 | S | 88.2 | Confident | 94.8 | Very high | 39 Ų | 39 | 52 Ų | 52 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 11.3 | 178.5 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | H438 D457 S458 | H438-S440 PolarHBondContact O-N 3.42Å; S440-D457 WeakPolarHBondContact O-CA 3.44Å; S440-S458 PolarHBondContact O-N 2.94Å; S440-S458 PolarHBondContact O-OG 3.08Å |
| 441 | N | 91.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 147.4 | -176.6 | -57.5 | -71.2 | 0 | 0 | 0 | 111.1 | F437 H438 Y443 | F437-N441 WeakPolarHBondContact CA-O 3.42Å; H438-N441 PolarHBondContact N-O 3.12Å; H438-N441 PolarHBondContact O-N 3.41Å; N441-Y443 HydrophobicContact CB-CE2 4Å |
| 442 | Q | 94.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.1 | 166.9 | 68.9 | 173.3 | -75.9 | 0 | 0 | 111.5 | F436 F437 S455 R456 D457 T460 | F436-Q442 CarbonylContact O-C 3.51Å; F436-Q442 WeakPolarHBondContact O-CA 3.49Å; F437-Q442 HydrophobicContact CD1-CB 3.87Å; F437-Q442 HydrophobicContact CE1-CB 3.7Å; F437-Q442 HydrophobicContact CE2-CB 4.41Å; F437-Q442 HydrophobicContact CG-CB 4.32Å; F437-Q442 HydrophobicContact CZ-CB 3.97Å; Q442-S455 VanDerWaalsContact O-CA 3.23Å; Q442-S455 WeakPolarHBondContact O-CA 3.49Å; Q442-S455 PolarHBondContact O-OG 2.87Å; Q442-R456 HydrophobicContact CG-CB 3.87Å; Q442-R456 WeakPolarHBondContact CG-O 3.44Å; Q442-R456 PolarHBondContact N-O 3.07Å; Q442-R456 PolarHBondContact O-N 2.92Å; Q442-R456 VanDerWaalsContact O-N 3.07Å; Q442-D457 PolarHBondContact NE2-O 2.88Å; Q442-T460 PolarHBondContact NE2-OG1 3.38Å |
| 443 | Y | 96.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.9 | -179.8 | -52.8 | -87 | 0 | 0 | 0 | 109.4 | Y435 F436 H438 N441 F445 V452 | Y435-Y443 WeakPolarHBondContact CA-O 3.4Å; F436-Y443 PolarHBondContact N-O 2.71Å; F436-Y443 PolarHBondContact O-N 3.44Å; H438-Y443 HydrophobicContact CB-CE2 4.36Å; N441-Y443 HydrophobicContact CB-CE2 4Å; Y443-F445 PolarHBondContact O-N 3.4Å; Y443-V452 HydrophobicContact CD1-CG1 4.36Å |
| 444 | R | 97.5 | Very high | 95.1 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 111.2 | 175.6 | -170.1 | 179.3 | 65.6 | -177.8 | 2.7 | 109.4 | Y433 Y435 V452 D453 A454 | Y433-R444 HydrophobicContact CD1-CG 3.59Å; Y433-R444 HydrophobicContact CE1-CG 4.39Å; Y433-R444 HydrophobicContact CG-CG 3.8Å; Y435-R444 HydrophobicContact CD1-CB 4.09Å; Y435-R444 HydrophobicContact CD1-CG 3.99Å; Y435-R444 HydrophobicContact CE1-CB 3.95Å; Y435-R444 HydrophobicContact CE1-CG 3.52Å; Y435-R444 WeakPolarHBondContact OH-CD 3.32Å; R444-V452 WeakPolarHBondContact O-CA 3.46Å; R444-D453 IonicContact CZ-OD1 3.89Å; R444-D453 IonicContact NE-OD1 3.27Å; R444-D453 PolarHBondContact NE-OD1 3.3Å; R444-D453 IonicContact NE-OD2 2.81Å; R444-D453 IonicContact NH2-OD1 2.73Å; R444-D453 PolarHBondContact NH2-OD1 2.94Å; R444-D453 IonicContact NH2-OD2 3.49Å; R444-D453 PolarHBondContact O-N 2.72Å; R444-A454 HydrophobicContact CB-CB 4.23Å; R444-A454 PolarHBondContact N-O 3.04Å |
| 445 | F | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.3 | 179.3 | -175.2 | -90.6 | 0 | 0 | 0 | 110.5 | F417 V420 Y433 F434 F436 Y443 L447 R450 V452 | F417-F445 HydrophobicContact CB-CE2 4.36Å; F417-F445 HydrophobicContact CD1-CD1 4.18Å; F417-F445 AromaticContact CD1-CE1 3.82Å; F417-F445 HydrophobicContact CD1-CE1 3.82Å; F417-F445 HydrophobicContact CD1-CE2 4.37Å; F417-F445 AromaticContact CD1-CZ 3.91Å; F417-F445 HydrophobicContact CD1-CZ 3.91Å; F417-F445 HydrophobicContact CE1-CE1 4.3Å; V420-F445 HydrophobicContact CG2-CD2 4.21Å; Y433-F445 WeakPolarHBondContact CA-O 3.42Å; F434-F445 HydrophobicContact CB-CB 4.35Å; F434-F445 PolarHBondContact N-O 3.03Å; F434-F445 PolarHBondContact O-N 3.39Å; F436-F445 HydrophobicContact CD2-CB 3.83Å; F436-F445 HydrophobicContact CE2-CB 3.75Å; F436-F445 HydrophobicContact CE2-CD1 4.41Å; F436-F445 HydrophobicContact CE2-CG 4.07Å; Y443-F445 PolarHBondContact O-N 3.4Å; F445-L447 HydrophobicContact CD1-CD2 4.35Å; F445-R450 VanDerWaalsContact CE2-C 3.49Å; F445-R450 VanDerWaalsContact CZ-CA 3.45Å; F445-R450 HydrophobicContact CZ-CB 4.02Å; F445-V452 HydrophobicContact CD2-CG2 3.95Å |
| 446 | N | 96.8 | Very high | 94.7 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119 | -179.3 | -176 | -47.3 | 0 | 0 | 0 | 110.4 | Y433 Q448 T449 R450 V451 | Y433-N446 HydrophobicContact CD1-CB 4Å; Y433-N446 HydrophobicContact CE1-CB 3.9Å; N446-Q448 VanDerWaalsContact C-N 3.28Å; N446-Q448 PolarHBondContact O-N 2.91Å; N446-Q448 WeakPolarHBondContact OD1-CA 3.21Å; N446-Q448 WeakPolarHBondContact OD1-CB 3.29Å; N446-Q448 PolarHBondContact OD1-N 3.02Å; N446-T449 VanDerWaalsContact CB-OG1 3.25Å; N446-T449 WeakPolarHBondContact CB-OG1 3.24Å; N446-T449 PolarHBondContact OD1-N 3.42Å; N446-T449 PolarHBondContact OD1-OG1 3.24Å; N446-R450 VanDerWaalsContact O-CA 3.24Å; N446-R450 WeakPolarHBondContact O-CA 3.31Å; N446-R450 PolarHBondContact O-N 2.91Å; N446-V451 PolarHBondContact N-O 3.39Å |
| 447 | L | 94.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.4 | -175.8 | -68.1 | 174.6 | 0 | 0 | 0 | 113.4 | Q429 G432 F434 F445 | Q429-L447 HydrophobicContact CG-CD1 4.44Å; G432-L447 WeakPolarHBondContact O-CB 3.11Å; G432-L447 WeakPolarHBondContact O-CG 3.41Å; G432-L447 PolarHBondContact O-N 3.24Å; F434-L447 HydrophobicContact CD1-CD1 3.9Å; F434-L447 HydrophobicContact CD1-CD2 3.84Å; F434-L447 HydrophobicContact CD1-CG 4.19Å; F434-L447 HydrophobicContact CD2-CD2 3.75Å; F434-L447 HydrophobicContact CE1-CD1 3.76Å; F434-L447 HydrophobicContact CE1-CD2 3.86Å; F434-L447 HydrophobicContact CE1-CG 4.35Å; F434-L447 HydrophobicContact CE2-CD2 3.78Å; F434-L447 HydrophobicContact CG-CD2 3.78Å; F434-L447 HydrophobicContact CG-CG 4.44Å; F434-L447 HydrophobicContact CZ-CD1 4.39Å; F434-L447 HydrophobicContact CZ-CD2 3.83Å; F445-L447 HydrophobicContact CD1-CD2 4.35Å |
| 448 | Q | 93.6 | Very high | 93.8 | Very high | 178 Ų | 178 | 63 Ų | 63 | 83% | 0.832 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -46.4 | -179.8 | -173.1 | 176.1 | 16.3 | 0 | 0 | 112.3 | N446 | N446-Q448 VanDerWaalsContact C-N 3.28Å; N446-Q448 PolarHBondContact O-N 2.91Å; N446-Q448 WeakPolarHBondContact OD1-CA 3.21Å; N446-Q448 WeakPolarHBondContact OD1-CB 3.29Å; N446-Q448 PolarHBondContact OD1-N 3.02Å |
| 449 | T | 95.4 | Very high | 93.4 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -13.1 | -177.8 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | N446 V451 | N446-T449 VanDerWaalsContact CB-OG1 3.25Å; N446-T449 WeakPolarHBondContact CB-OG1 3.24Å; N446-T449 PolarHBondContact OD1-N 3.42Å; N446-T449 PolarHBondContact OD1-OG1 3.24Å; T449-V451 VanDerWaalsContact C-N 3.34Å; T449-V451 PolarHBondContact O-N 3.27Å; T449-V451 WeakPolarHBondContact OG1-CG2 3.3Å |
| 450 | R | 94.9 | Very high | 93.3 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 39.5 | 177.6 | -58.2 | -80.2 | -74.8 | 161.3 | -1.3 | 113.1 | D416 P418 F445 N446 | D416-R450 PolarHBondContact O-NH1 2.93Å; D416-R450 PolarHBondContact O-NH2 3.34Å; D416-R450 IonicContact OD1-NH2 3.13Å; P418-R450 WeakPolarHBondContact CG-O 3.47Å; F445-R450 VanDerWaalsContact CE2-C 3.49Å; F445-R450 VanDerWaalsContact CZ-CA 3.45Å; F445-R450 HydrophobicContact CZ-CB 4.02Å; N446-R450 VanDerWaalsContact O-CA 3.24Å; N446-R450 WeakPolarHBondContact O-CA 3.31Å; N446-R450 PolarHBondContact O-N 2.91Å |
| 451 | V | 94.9 | Very high | 93.3 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.418 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.9 | 177 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | N446 T449 | N446-V451 PolarHBondContact N-O 3.39Å; T449-V451 VanDerWaalsContact C-N 3.34Å; T449-V451 PolarHBondContact O-N 3.27Å; T449-V451 WeakPolarHBondContact OG1-CG2 3.3Å |
| 452 | V | 96.5 | Very high | 93.1 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 25% | 0.248 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123 | 165.3 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | V420 Y443 R444 F445 | V420-V452 HydrophobicContact CG2-CG2 3.96Å; Y443-V452 HydrophobicContact CD1-CG1 4.36Å; R444-V452 WeakPolarHBondContact O-CA 3.46Å; F445-V452 HydrophobicContact CD2-CG2 3.95Å |
| 453 | D | 94.9 | Very high | 92.4 | Very high | 69 Ų | 69 | 62.1 Ų | 62.1 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -9 | -178 | 72 | 17.4 | 0 | 0 | 0 | 114.2 | R444 | R444-D453 IonicContact CZ-OD1 3.89Å; R444-D453 IonicContact NE-OD1 3.27Å; R444-D453 PolarHBondContact NE-OD1 3.3Å; R444-D453 IonicContact NE-OD2 2.81Å; R444-D453 IonicContact NH2-OD1 2.73Å; R444-D453 PolarHBondContact NH2-OD1 2.94Å; R444-D453 IonicContact NH2-OD2 3.49Å; R444-D453 PolarHBondContact O-N 2.72Å |
| 454 | A | 94.2 | Very high | 91.6 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 151.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R444 | R444-A454 HydrophobicContact CB-CB 4.23Å; R444-A454 PolarHBondContact N-O 3.04Å |
| 455 | S | 93.8 | Very high | 91.3 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 141.3 | 169.6 | 179.8 | 0 | 0 | 0 | 0 | 110 | Q442 | Q442-S455 VanDerWaalsContact O-CA 3.23Å; Q442-S455 WeakPolarHBondContact O-CA 3.49Å; Q442-S455 PolarHBondContact O-OG 2.87Å |
| 456 | R | 92.4 | Very high | 90.9 | Very high | 159 Ų | 159 | 67 Ų | 67 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 172.7 | -175.6 | -63.4 | -172.9 | 177.1 | -167.1 | -2.3 | 110.5 | Q442 T460 | Q442-R456 HydrophobicContact CG-CB 3.87Å; Q442-R456 WeakPolarHBondContact CG-O 3.44Å; Q442-R456 PolarHBondContact N-O 3.07Å; Q442-R456 PolarHBondContact O-N 2.92Å; Q442-R456 VanDerWaalsContact O-N 3.07Å; R456-T460 HydrophobicContact CB-CG2 4.25Å |
| 457 | D | 89.7 | Confident | 90.6 | Very high | 95 Ų | 95 | 69.5 Ų | 69.5 | 51% | 0.508 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 146.9 | 168.3 | -59.8 | -15.8 | 0 | 0 | 0 | 110.6 | S440 Q442 N459 T460 | S440-D457 WeakPolarHBondContact O-CA 3.44Å; Q442-D457 PolarHBondContact NE2-O 2.88Å; D457-N459 VanDerWaalsContact C-N 3.26Å; D457-N459 PolarHBondContact O-N 2.98Å; D457-T460 HydrophobicContact CB-CG2 4.19Å; D457-T460 WeakPolarHBondContact O-CG2 3.5Å; D457-T460 PolarHBondContact O-N 2.94Å; D457-T460 PolarHBondContact O-OG1 2.88Å |
| 458 | S | 86.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -57.3 | -34.8 | -178.7 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | L280 S440 T460 | L280-S458 PolarHBondContact O-OG 3.17Å; S440-S458 PolarHBondContact O-N 2.94Å; S440-S458 PolarHBondContact O-OG 3.08Å; S458-T460 VanDerWaalsContact C-N 3.34Å; S458-T460 PolarHBondContact O-N 2.77Å |
| 459 | N | 85.3 | Confident | 90.2 | Very high | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.102 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -81.8 | -3.1 | -176.8 | 68.5 | -0.7 | 0 | 0 | 0 | 114.7 | E277 D457 W461 F462 | E277-N459 PolarHBondContact O-ND2 3.19Å; E277-N459 VanDerWaalsContact O-ND2 3.15Å; D457-N459 VanDerWaalsContact C-N 3.26Å; D457-N459 PolarHBondContact O-N 2.98Å; N459-W461 PolarHBondContact O-N 3.25Å; N459-F462 HydrophobicContact CB-CD2 4.01Å; N459-F462 WeakPolarHBondContact O-CB 3.33Å; N459-F462 PolarHBondContact O-N 3Å |
| 460 | T | 88.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -64.5 | -4.9 | 179 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | Q442 R456 D457 S458 F462 | Q442-T460 PolarHBondContact NE2-OG1 3.38Å; R456-T460 HydrophobicContact CB-CG2 4.25Å; D457-T460 HydrophobicContact CB-CG2 4.19Å; D457-T460 WeakPolarHBondContact O-CG2 3.5Å; D457-T460 PolarHBondContact O-N 2.94Å; D457-T460 PolarHBondContact O-OG1 2.88Å; S458-T460 VanDerWaalsContact C-N 3.34Å; S458-T460 PolarHBondContact O-N 2.77Å; T460-F462 VanDerWaalsContact C-N 3.32Å |
| 461 | W | 88.8 | Confident | 89.5 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 19% | 0.186 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -77 | -14.2 | 170.3 | -70.9 | 95.5 | 0 | 0 | 0 | 114.1 | F294 F428 K430 Y435 F437 N459 | F294-W461 HydrophobicContact CE1-CG 4.36Å; F294-W461 HydrophobicContact CE2-CB 4.12Å; F294-W461 HydrophobicContact CE2-CG 4.38Å; F294-W461 HydrophobicContact CZ-CB 3.69Å; F294-W461 AromaticContact CZ-CD1 3.76Å; F294-W461 HydrophobicContact CZ-CD2 4.13Å; F294-W461 AromaticContact CZ-CG 3.57Å; F294-W461 HydrophobicContact CZ-CG 3.57Å; F428-W461 HydrophobicContact CE1-CZ2 4.21Å; F428-W461 HydrophobicContact CE2-CH2 4.13Å; F428-W461 HydrophobicContact CE2-CZ2 4.32Å; F428-W461 HydrophobicContact CZ-CD2 4.46Å; F428-W461 AromaticContact CZ-CE2 3.85Å; F428-W461 AromaticContact CZ-CH2 3.63Å; F428-W461 HydrophobicContact CZ-CH2 3.63Å; F428-W461 AromaticContact CZ-CZ2 3.43Å; F428-W461 HydrophobicContact CZ-CZ2 3.43Å; F428-W461 VanDerWaalsContact CZ-CZ2 3.43Å; F428-W461 HydrophobicContact CZ-CZ3 4.23Å; K430-W461 HydrophobicContact CD-CH2 4.25Å; K430-W461 HydrophobicContact CD-CZ3 4.24Å; Y435-W461 HydrophobicContact CD1-CH2 4.3Å; Y435-W461 AromaticContact CD1-CZ2 3.54Å; Y435-W461 HydrophobicContact CD1-CZ2 3.54Å; Y435-W461 HydrophobicContact CD2-CH2 4.48Å; Y435-W461 HydrophobicContact CD2-CZ2 4.29Å; Y435-W461 HydrophobicContact CE1-CH2 4.01Å; Y435-W461 AromaticContact CE1-CZ2 3.61Å; Y435-W461 HydrophobicContact CE1-CZ2 3.61Å; Y435-W461 HydrophobicContact CE2-CH2 4.25Å; Y435-W461 HydrophobicContact CE2-CZ2 4.38Å; Y435-W461 HydrophobicContact CG-CH2 4.5Å; Y435-W461 AromaticContact CG-CZ2 3.87Å; Y435-W461 HydrophobicContact CG-CZ2 3.87Å; Y435-W461 AromaticContact CZ-CH2 4Å; F437-W461 AromaticContact CZ-NE1 3.66Å; N459-W461 PolarHBondContact O-N 3.25Å |
| 462 | F | 87.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 15.8 | -166.5 | -60 | -38.5 | 0 | 0 | 0 | 115.4 | P275 L280 F282 F294 I301 V303 P310 N459 T460 C464 | P275-F462 HydrophobicContact CB-CB 4.16Å; P275-F462 HydrophobicContact CB-CD2 3.83Å; P275-F462 HydrophobicContact CB-CE2 4.35Å; P275-F462 HydrophobicContact CB-CG 4Å; P275-F462 VanDerWaalsContact O-CD2 3.24Å; P275-F462 WeakPolarHBondContact O-CD2 3.46Å; L280-F462 HydrophobicContact CD2-CE2 3.88Å; F282-F462 HydrophobicContact CE1-CE2 4Å; F282-F462 AromaticContact CE1-CZ 3.9Å; F282-F462 HydrophobicContact CE1-CZ 3.9Å; F282-F462 AromaticContact CZ-CE2 3.57Å; F282-F462 HydrophobicContact CZ-CE2 3.57Å; F282-F462 AromaticContact CZ-CZ 3.64Å; F282-F462 HydrophobicContact CZ-CZ 3.64Å; F294-F462 HydrophobicContact CB-CZ 4.21Å; F294-F462 HydrophobicContact CD1-CZ 4.11Å; F294-F462 AromaticContact CD2-CE1 3.57Å; F294-F462 HydrophobicContact CD2-CE1 3.57Å; F294-F462 AromaticContact CD2-CZ 3.78Å; F294-F462 HydrophobicContact CD2-CZ 3.78Å; F294-F462 HydrophobicContact CE1-CZ 4.44Å; F294-F462 AromaticContact CE2-CE1 3.74Å; F294-F462 HydrophobicContact CE2-CE1 3.74Å; F294-F462 HydrophobicContact CE2-CZ 4.16Å; F294-F462 HydrophobicContact CG-CE1 4.07Å; F294-F462 AromaticContact CG-CZ 3.77Å; F294-F462 HydrophobicContact CG-CZ 3.77Å; F294-F462 HydrophobicContact CZ-CE1 4.35Å; F294-F462 HydrophobicContact CZ-CZ 4.48Å; I301-F462 HydrophobicContact CB-CE1 4.2Å; I301-F462 HydrophobicContact CB-CZ 4.2Å; I301-F462 HydrophobicContact CD1-CE2 4.27Å; I301-F462 HydrophobicContact CD1-CZ 4.09Å; I301-F462 HydrophobicContact CG2-CD1 3.98Å; I301-F462 HydrophobicContact CG2-CE1 3.47Å; I301-F462 VanDerWaalsContact CG2-CE1 3.47Å; I301-F462 HydrophobicContact CG2-CZ 3.86Å; V303-F462 HydrophobicContact CG1-CD1 3.52Å; V303-F462 HydrophobicContact CG1-CE1 3.78Å; P310-F462 HydrophobicContact CB-CB 4.38Å; P310-F462 HydrophobicContact CB-CD1 3.86Å; P310-F462 HydrophobicContact CB-CG 4.36Å; P310-F462 WeakPolarHBondContact CD-O 3.3Å; P310-F462 HydrophobicContact CG-CB 4.06Å; P310-F462 HydrophobicContact CG-CD1 4.44Å; P310-F462 HydrophobicContact CG-CG 4.46Å; N459-F462 HydrophobicContact CB-CD2 4.01Å; N459-F462 WeakPolarHBondContact O-CB 3.33Å; N459-F462 PolarHBondContact O-N 3Å; T460-F462 VanDerWaalsContact C-N 3.32Å; F462-C464 PolarHBondContact O-N 3.19Å; F462-C464 VanDerWaalsContact O-N 3.15Å |
| 463 | N | 80.4 | Confident | 88.4 | Confident | 125 Ų | 125 | 63.6 Ų | 63.6 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 30.6 | -174 | -66.2 | -22.9 | 0 | 0 | 0 | 113.5 | A308 | A308-N463 PolarHBondContact O-ND2 3.28Š|
| 464 | C | 78.5 | Confident | 87.8 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 63% | 0.628 | 34% | 0.341 | S | S | * | . | trans | -81.7 | 0 | 157.6 | -37.5 | 0 | 0 | 0 | 0 | 107.3 | C276 F462 | C276-C464 WeakPolarHBondContact CA-SG 3.01Å; C276-C464 HydrophobicContact CB-CB 3.79Å; C276-C464 WeakPolarHBondContact CB-SG 3.34Å; C276-C464 WeakPolarHBondContact SG-CB 3.33Å; C276-C464 CovalentContact SG-SG 2.04Å; C276-C464 PolarHBondContact SG-SG 3.41Å; F462-C464 PolarHBondContact O-N 3.19Å; F462-C464 VanDerWaalsContact O-N 3.15Å |
Retrieved 464 of 464 residues in 261.2 ms
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