| 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 | 53 | Low | 62.2 | Low | 248 Ų | 248 | 130.3 Ų | 130.3 | 100% | 1.222 | 79% | 0.792 | S | S | * | * | 0 | 115 | 0 | -71.2 | -170 | -165.6 | 0 | 0 | 107.3 | |||||
| 2 | A | 50.2 | Low | 64.1 | Low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -76.5 | 127.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | N4 | A2-N4 PolarHBondContact O-N 3.03Š| ||
| 3 | A | 59 | Low | 66.2 | Low | 100 Ų | 100 | 123.5 Ų | 123.5 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | -68.4 | 116.8 | 174 | 0 | 0 | 0 | 0 | 0 | 108.7 | A5 | A3-A5 PolarHBondContact O-N 3.29Š| ||
| 4 | N | 55.8 | Low | 68 | Low | 153 Ų | 153 | 121.9 Ų | 121.9 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -62 | 106.8 | 166.3 | -82.9 | -14.2 | 0 | 0 | 0 | 107.6 | A2 T6 | A2-N4 PolarHBondContact O-N 3.03Å; N4-T6 PolarHBondContact O-N 3.19Å | ||
| 5 | A | 61.3 | Low | 69.7 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -61.8 | 104.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | A3 T7 | A3-A5 PolarHBondContact O-N 3.29Å; A5-T7 VanDerWaalsContact C-N 3.26Å; A5-T7 PolarHBondContact O-N 2.86Å | ||
| 6 | T | 63.5 | Low | 71.1 | Confident | 134 Ų | 134 | 117.9 Ų | 117.9 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -63.7 | 92.3 | 168.3 | 47.3 | 0 | 0 | 0 | 0 | 107.4 | N4 N8 | N4-T6 PolarHBondContact O-N 3.19Å; T6-N8 PolarHBondContact O-N 2.88Å; T6-N8 VanDerWaalsContact O-N 3.17Å | ||
| 7 | T | 62.2 | Low | 72.3 | Confident | 118 Ų | 118 | 115.8 Ų | 115.8 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | trans | -57.5 | 117 | 166.2 | 51.3 | 0 | 0 | 0 | 0 | 106.8 | A5 P9 | A5-T7 VanDerWaalsContact C-N 3.26Å; A5-T7 PolarHBondContact O-N 2.86Å; T7-P9 WeakPolarHBondContact O-CD 3.1Å | ||
| 8 | N | 69 | Low | 73.6 | Confident | 126 Ų | 126 | 110.1 Ų | 110.1 | 67% | 0.674 | 65% | 0.649 | S | S | * | * | trans | -62.8 | 109.4 | 172.9 | -177.6 | 4.5 | 0 | 0 | 0 | 107.8 | T6 S10 | T6-N8 PolarHBondContact O-N 2.88Å; T6-N8 VanDerWaalsContact O-N 3.17Å; N8-S10 VanDerWaalsContact CG-OG 3.25Å; N8-S10 PolarHBondContact ND2-OG 2.93Å; N8-S10 PolarHBondContact O-N 2.83Å; N8-S10 WeakPolarHBondContact OD1-CB 3.31Å; N8-S10 PolarHBondContact OD1-N 3.17Å; N8-S10 PolarHBondContact OD1-OG 3.4Å | ||
| 9 | P | 63.2 | Low | 74.8 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | trans | -76.8 | 0.4 | -175.6 | 33.7 | -33.9 | 0 | 0 | 0 | 112 | T7 Q11 | T7-P9 WeakPolarHBondContact O-CD 3.1Å; P9-Q11 PolarHBondContact O-N 2.98Å | ||
| 10 | S | 69.2 | Low | 75.8 | Confident | 71 Ų | 71 | 110.6 Ų | 110.6 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | trans | -68.5 | 96.3 | -176.9 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | N8 L12 | N8-S10 VanDerWaalsContact CG-OG 3.25Å; N8-S10 PolarHBondContact ND2-OG 2.93Å; N8-S10 PolarHBondContact O-N 2.83Å; N8-S10 WeakPolarHBondContact OD1-CB 3.31Å; N8-S10 PolarHBondContact OD1-N 3.17Å; N8-S10 PolarHBondContact OD1-OG 3.4Å; S10-L12 PolarHBondContact O-N 3.08Å | ||
| 11 | Q | 77.5 | Confident | 76.7 | Confident | 184 Ų | 184 | 105.7 Ų | 105.7 | 86% | 0.86 | 61% | 0.611 | S | S | * | * | trans | -80.6 | 23.4 | 166.3 | -65.7 | -177.8 | -28.3 | 0 | 0 | 111.8 | P9 L13 | P9-Q11 PolarHBondContact O-N 2.98Å; Q11-L13 PolarHBondContact O-N 3.4Å | ||
| 12 | L | 85.6 | Confident | 78.8 | Confident | 67 Ų | 67 | 97.2 Ų | 97.2 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | trans | -65.9 | 123.8 | -172.5 | -139.4 | 93 | 0 | 0 | 0 | 109.6 | S10 E16 L17 K20 | S10-L12 PolarHBondContact O-N 3.08Å; L12-E16 HydrophobicContact CD2-CB 4.39Å; L12-E16 HydrophobicContact CG-CB 4.12Å; L12-L17 HydrophobicContact CD2-CB 3.79Å; L12-L17 HydrophobicContact CD2-CD1 3.82Å; L12-L17 HydrophobicContact CD2-CG 4.4Å; L12-K20 VanDerWaalsContact CD1-NZ 3.3Å; L12-K20 HydrophobicContact CD2-CD 4.18Å | ||
| 13 | L | 90.7 | Very high | 81.1 | Confident | 105 Ų | 105 | 95.2 Ų | 95.2 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | trans | -73.9 | 149.8 | 175.6 | -62.7 | 175 | 0 | 0 | 0 | 109.7 | Q11 L15 E16 L17 | Q11-L13 PolarHBondContact O-N 3.4Å; L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 PolarHBondContact O-N 3.37Å; L13-E16 HydrophobicContact CB-CB 4.34Å; L13-E16 HydrophobicContact CB-CG 3.95Å; L13-E16 PolarHBondContact N-OE2 2.91Å; L13-E16 WeakPolarHBondContact O-CA 3.33Å; L13-E16 WeakPolarHBondContact O-CB 3.46Å; L13-E16 PolarHBondContact O-N 3.14Å; L13-L17 PolarHBondContact O-N 3.36Å | ||
| 14 | P | 91.5 | Very high | 82.9 | Confident | 102 Ų | 102 | 93.3 Ų | 93.3 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -53.7 | -41.8 | 179.5 | -29.2 | 36 | 0 | 0 | 0 | 113.5 | L17 V18 | P14-L17 WeakPolarHBondContact O-CB 3.38Å; P14-L17 PolarHBondContact O-N 3.37Å; P14-L17 VanDerWaalsContact O-N 3.17Å; P14-V18 WeakPolarHBondContact O-CG2 3.45Å; P14-V18 PolarHBondContact O-N 3.21Å |
| 15 | L | 93.5 | Very high | 84.9 | Confident | 89 Ų | 89 | 90.2 Ų | 90.2 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -33.4 | 177.4 | -62.7 | -179.7 | 0 | 0 | 0 | 112.6 | L13 L17 V18 D19 F43 V47 | L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 PolarHBondContact O-N 3.37Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.33Å; L15-V18 PolarHBondContact O-N 3.01Å; L15-D19 WeakPolarHBondContact O-CB 3.35Å; L15-D19 PolarHBondContact O-N 3Å; L15-F43 HydrophobicContact CD2-CE2 4.1Å; L15-V47 HydrophobicContact CD2-CG2 4.21Å |
| 16 | E | 92.8 | Very high | 86.7 | Confident | 90 Ų | 90 | 86 Ų | 86 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -32.3 | 172 | -66.6 | 173.5 | 176.5 | 0 | 0 | 111.5 | L12 L13 K20 | L12-E16 HydrophobicContact CD2-CB 4.39Å; L12-E16 HydrophobicContact CG-CB 4.12Å; L13-E16 HydrophobicContact CB-CB 4.34Å; L13-E16 HydrophobicContact CB-CG 3.95Å; L13-E16 PolarHBondContact N-OE2 2.91Å; L13-E16 WeakPolarHBondContact O-CA 3.33Å; L13-E16 WeakPolarHBondContact O-CB 3.46Å; L13-E16 PolarHBondContact O-N 3.14Å; E16-K20 WeakPolarHBondContact O-CG 3.36Å; E16-K20 PolarHBondContact O-N 3.26Å |
| 17 | L | 91.8 | Very high | 88.3 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 173.6 | -172.8 | 58.9 | 0 | 0 | 0 | 111.2 | L12 L13 P14 L15 K20 C21 P84 | L12-L17 HydrophobicContact CD2-CB 3.79Å; L12-L17 HydrophobicContact CD2-CD1 3.82Å; L12-L17 HydrophobicContact CD2-CG 4.4Å; L13-L17 PolarHBondContact O-N 3.36Å; P14-L17 WeakPolarHBondContact O-CB 3.38Å; P14-L17 PolarHBondContact O-N 3.37Å; P14-L17 VanDerWaalsContact O-N 3.17Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.33Å; L17-K20 PolarHBondContact O-N 3.24Å; L17-C21 PolarHBondContact O-N 3.2Å; L17-C21 PolarHBondContact O-SG 2.72Å; L17-P84 HydrophobicContact CG-CG 4.44Å |
| 18 | V | 94.6 | Very high | 90 | Very high | 13 Ų | 13 | 74.8 Ų | 74.8 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 178.8 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | P14 L15 K20 C21 L40 F43 M49 L82 | P14-V18 WeakPolarHBondContact O-CG2 3.45Å; P14-V18 PolarHBondContact O-N 3.21Å; L15-V18 PolarHBondContact O-N 3.01Å; V18-K20 VanDerWaalsContact C-N 3.29Å; V18-K20 PolarHBondContact O-N 3.06Å; V18-C21 WeakPolarHBondContact O-CA 3.46Å; V18-C21 VanDerWaalsContact O-CB 3.26Å; V18-C21 WeakPolarHBondContact O-CB 3.44Å; V18-C21 PolarHBondContact O-N 2.72Å; V18-L40 HydrophobicContact CG1-CD2 4.01Å; V18-F43 HydrophobicContact CB-CE1 4.33Å; V18-F43 HydrophobicContact CB-CZ 4.27Å; V18-F43 HydrophobicContact CG1-CD1 3.74Å; V18-F43 HydrophobicContact CG1-CD2 4.18Å; V18-F43 HydrophobicContact CG1-CE1 3.82Å; V18-F43 HydrophobicContact CG1-CE2 4.27Å; V18-F43 HydrophobicContact CG1-CG 3.94Å; V18-F43 HydrophobicContact CG1-CZ 4.09Å; V18-M49 HydrophobicContact CG1-CE 3.94Å; V18-L82 HydrophobicContact CG2-CD1 3.63Å |
| 19 | D | 96.1 | Very high | 91.3 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.8 | -42.5 | 173.6 | -175.1 | 73 | 0 | 0 | 0 | 112.1 | L15 C21 I22 F43 | L15-D19 WeakPolarHBondContact O-CB 3.35Å; L15-D19 PolarHBondContact O-N 3Å; D19-C21 PolarHBondContact O-N 2.84Å; D19-C21 VanDerWaalsContact O-N 3.14Å; D19-I22 WeakPolarHBondContact O-CB 3.26Å; D19-I22 VanDerWaalsContact O-CG1 3.3Å; D19-I22 WeakPolarHBondContact O-CG1 3.46Å; D19-I22 PolarHBondContact O-N 2.97Å; D19-I22 VanDerWaalsContact O-N 3.08Å; D19-F43 HydrophobicContact CB-CE1 4.17Å; D19-F43 HydrophobicContact CB-CZ 4.33Å |
| 20 | K | 94.8 | Very high | 92.8 | Very high | 134 Ų | 134 | 65.7 Ų | 65.7 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.4 | 173.9 | -72.3 | -178.8 | -177.3 | -171.4 | 0 | 114.5 | L12 E16 L17 V18 I22 | L12-K20 VanDerWaalsContact CD1-NZ 3.3Å; L12-K20 HydrophobicContact CD2-CD 4.18Å; E16-K20 WeakPolarHBondContact O-CG 3.36Å; E16-K20 PolarHBondContact O-N 3.26Å; L17-K20 PolarHBondContact O-N 3.24Å; V18-K20 VanDerWaalsContact C-N 3.29Å; V18-K20 PolarHBondContact O-N 3.06Å; K20-I22 VanDerWaalsContact C-N 3.35Å |
| 21 | C | 95.7 | Very high | 93.9 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.054 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.3 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | L17 V18 D19 G23 S24 I26 L40 P84 | L17-C21 PolarHBondContact O-N 3.2Å; L17-C21 PolarHBondContact O-SG 2.72Å; V18-C21 WeakPolarHBondContact O-CA 3.46Å; V18-C21 VanDerWaalsContact O-CB 3.26Å; V18-C21 WeakPolarHBondContact O-CB 3.44Å; V18-C21 PolarHBondContact O-N 2.72Å; D19-C21 PolarHBondContact O-N 2.84Å; D19-C21 VanDerWaalsContact O-N 3.14Å; C21-G23 PolarHBondContact O-N 3.32Å; C21-S24 WeakPolarHBondContact O-CA 3.4Å; C21-S24 WeakPolarHBondContact O-CB 3.39Å; C21-S24 PolarHBondContact O-N 2.88Å; C21-I26 HydrophobicContact CB-CD1 4.25Å; C21-L40 HydrophobicContact CB-CD2 3.97Å; C21-P84 VanDerWaalsContact SG-CB 3.57Å; C21-P84 VanDerWaalsContact SG-CG 3.55Å |
| 22 | I | 97.5 | Very high | 94.4 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 133 | 177 | -63.5 | 171.4 | 0 | 0 | 0 | 109.6 | D19 K20 S24 L40 F43 | D19-I22 WeakPolarHBondContact O-CB 3.26Å; D19-I22 VanDerWaalsContact O-CG1 3.3Å; D19-I22 WeakPolarHBondContact O-CG1 3.46Å; D19-I22 PolarHBondContact O-N 2.97Å; D19-I22 VanDerWaalsContact O-N 3.08Å; K20-I22 VanDerWaalsContact C-N 3.35Å; I22-S24 PolarHBondContact O-N 3.01Å; I22-L40 CarbonylContact C-O 3.57Å; I22-L40 WeakPolarHBondContact CA-O 3.36Å; I22-L40 HydrophobicContact CG1-CD2 4.02Å; I22-L40 HydrophobicContact CG1-CG 4.24Å; I22-F43 HydrophobicContact CD1-CD1 4.33Å; I22-F43 HydrophobicContact CD1-CE1 4.17Å |
| 23 | G | 97.7 | Very high | 94.6 | Very high | 56 Ų | 56 | 65.9 Ų | 65.9 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 1.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C21 L40 | C21-G23 PolarHBondContact O-N 3.32Å; G23-L40 PolarHBondContact N-O 3.28Å |
| 24 | S | 97.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -113.5 | 158.9 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 112 | C21 I22 T39 L40 | C21-S24 WeakPolarHBondContact O-CA 3.4Å; C21-S24 WeakPolarHBondContact O-CB 3.39Å; C21-S24 PolarHBondContact O-N 2.88Å; I22-S24 PolarHBondContact O-N 3.01Å; S24-T39 WeakPolarHBondContact O-CA 3.43Å; S24-L40 PolarHBondContact O-N 2.9Å |
| 25 | R | 97.4 | Very high | 95 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 135.6 | 171 | -154.5 | 93.3 | -164 | 157.6 | 11.8 | 109.5 | V37 G38 D53 G85 | R25-V37 HydrophobicContact CG-CG1 4.05Å; R25-V37 PolarHBondContact NH2-O 3.23Å; R25-G38 CarbonylContact C-O 3.56Å; R25-G38 WeakPolarHBondContact CA-O 3.41Å; R25-D53 PolarHBondContact NH2-O 2.84Å; R25-G85 VanDerWaalsContact O-CA 3.31Å; R25-G85 WeakPolarHBondContact O-CA 2.92Å; R25-G85 PolarHBondContact O-N 3.32Å |
| 26 | I | 97.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.4 | 172.1 | -165.8 | 166.3 | 0 | 0 | 0 | 109.3 | C21 I28 V37 G38 L40 L51 L82 | C21-I26 HydrophobicContact CB-CD1 4.25Å; I26-I28 HydrophobicContact CG1-CG1 4.27Å; I26-I28 HydrophobicContact CG2-CD1 4.1Å; I26-I28 HydrophobicContact CG2-CG1 4.04Å; I26-V37 WeakPolarHBondContact O-CA 3.26Å; I26-G38 PolarHBondContact N-O 2.77Å; I26-G38 PolarHBondContact O-N 2.94Å; I26-G38 VanDerWaalsContact O-N 3.13Å; I26-L40 HydrophobicContact CG2-CB 4.09Å; I26-L51 HydrophobicContact CG2-CD2 3.6Å; I26-L82 HydrophobicContact CD1-CB 4.2Å; I26-L82 HydrophobicContact CD1-CD2 4Å |
| 27 | H | 97.7 | Very high | 95.4 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125 | 169.1 | 172.7 | -148 | 0 | 0 | 0 | 109.1 | E35 I36 V37 V83 | H27-E35 IonicContact CE1-OE2 2.92Å; H27-E35 PolarHBondContact CE1-OE2 3.35Å; H27-E35 WeakPolarHBondContact NE2-CB 3.42Å; H27-E35 IonicContact NE2-OE2 2.88Å; H27-E35 PolarHBondContact NE2-OE2 2.86Å; H27-I36 CarbonylContact C-O 3.57Å; H27-I36 WeakPolarHBondContact CA-O 3.28Å; H27-V37 HydrophobicContact CB-CG2 3.93Å; H27-V83 HydrophobicContact CB-CB 4.11Å; H27-V83 PolarHBondContact N-O 2.82Å; H27-V83 PolarHBondContact O-N 3.26Å |
| 28 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.6 | -174.8 | -51.7 | 179 | 0 | 0 | 0 | 108.4 | I26 M30 E35 I36 M49 L51 L74 I79 M81 L82 | I26-I28 HydrophobicContact CG1-CG1 4.27Å; I26-I28 HydrophobicContact CG2-CD1 4.1Å; I26-I28 HydrophobicContact CG2-CG1 4.04Å; I28-M30 HydrophobicContact CG2-SD 3.86Å; I28-E35 CarbonylContact O-C 3.59Å; I28-E35 WeakPolarHBondContact O-CA 3.45Å; I28-I36 HydrophobicContact CB-CB 4.37Å; I28-I36 PolarHBondContact N-O 3.15Å; I28-I36 PolarHBondContact O-N 2.76Å; I28-M49 HydrophobicContact CD1-SD 3.54Å; I28-M49 VanDerWaalsContact CD1-SD 3.54Å; I28-L51 HydrophobicContact CD1-CD1 3.55Å; I28-L51 HydrophobicContact CD1-CD2 4.13Å; I28-L51 HydrophobicContact CD1-CG 4.41Å; I28-L74 HydrophobicContact CB-CD2 4.43Å; I28-L74 HydrophobicContact CD1-CD2 3.58Å; I28-L74 HydrophobicContact CG2-CD2 3.86Å; I28-I79 HydrophobicContact CG2-CB 4.46Å; I28-I79 HydrophobicContact CG2-CD1 4.18Å; I28-I79 HydrophobicContact CG2-CG1 3.92Å; I28-I79 HydrophobicContact CG2-CG2 3.96Å; I28-M81 WeakPolarHBondContact CA-O 3.46Å; I28-L82 HydrophobicContact CB-CD2 4.2Å; I28-L82 HydrophobicContact CD1-CD2 4.17Å; I28-L82 HydrophobicContact CG1-CD2 3.69Å; I28-L82 HydrophobicContact CG2-CD2 3.87Å |
| 29 | V | 96.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 50 Ų | 50 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.9 | 172.7 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | E35 T80 M81 | V29-E35 HydrophobicContact CB-CG 4.44Å; V29-E35 HydrophobicContact CG1-CG 4.18Å; V29-E35 HydrophobicContact CG2-CG 4.21Å; V29-T80 WeakPolarHBondContact O-CA 3.47Å; V29-T80 WeakPolarHBondContact O-CB 3.43Å; V29-T80 PolarHBondContact O-N 3.04Å; V29-M81 HydrophobicContact CB-CB 4.15Å; V29-M81 HydrophobicContact CG2-CB 4.38Å; V29-M81 HydrophobicContact CG2-CE 3.73Å; V29-M81 PolarHBondContact N-O 3.13Å; V29-M81 PolarHBondContact O-N 3.23Å; V29-M81 VanDerWaalsContact O-N 3.15Å |
| 30 | M | 95.5 | Very high | 96 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 172.6 | -179.7 | -57.4 | -64.6 | -71.9 | 0 | 0 | 111.1 | I28 K34 I36 L74 N78 I79 T80 | I28-M30 HydrophobicContact CG2-SD 3.86Å; M30-K34 HydrophobicContact CB-CB 4.06Å; M30-K34 VanDerWaalsContact CB-O 3.24Å; M30-K34 WeakPolarHBondContact CB-O 3.3Å; M30-K34 HydrophobicContact CG-CB 4.18Å; M30-K34 PolarHBondContact N-O 3.04Å; M30-I36 HydrophobicContact CG-CD1 4.06Å; M30-I36 HydrophobicContact CG-CG1 4.39Å; M30-I36 HydrophobicContact SD-CD1 4.16Å; M30-L74 HydrophobicContact CE-CD1 3.48Å; M30-L74 VanDerWaalsContact CE-CD1 3.48Å; M30-L74 HydrophobicContact CE-CD2 4.37Å; M30-L74 HydrophobicContact CE-CG 4.02Å; M30-L74 HydrophobicContact SD-CD1 3.8Å; M30-L74 HydrophobicContact SD-CD2 3.77Å; M30-L74 HydrophobicContact SD-CG 4.09Å; M30-N78 CarbonylContact C-O 3.57Å; M30-N78 VanDerWaalsContact C-O 3.31Å; M30-N78 WeakPolarHBondContact CA-O 3.47Å; M30-N78 HydrophobicContact CE-CB 3.44Å; M30-N78 VanDerWaalsContact CE-CB 3.44Å; M30-I79 HydrophobicContact SD-CG1 4.03Å; M30-T80 PolarHBondContact O-OG1 3.13Å |
| 31 | K | 91.8 | Very high | 96.2 | Very high | 119 Ų | 119 | 42.3 Ų | 42.3 | 52% | 0.517 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -69.5 | 136.6 | 158.8 | -66.5 | 179.8 | -176.9 | 166.6 | 0 | 106.8 | N77 N78 T80 | K31-N77 VanDerWaalsContact CE-O 3.25Å; K31-N77 WeakPolarHBondContact CE-O 3.4Å; K31-N77 PolarHBondContact NZ-O 3.44Å; K31-N78 PolarHBondContact N-O 2.84Å; K31-T80 PolarHBondContact N-OG1 2.67Å |
| 32 | S | 87.4 | Confident | 96.3 | Very high | 107 Ų | 107 | 42.8 Ų | 42.8 | 75% | 0.748 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 77.6 | -165.4 | -171.1 | -48.1 | 0 | 0 | 0 | 0 | 113.7 | K34 | S32-K34 PolarHBondContact O-N 3.05Š|
| 33 | D | 90.1 | Very high | 96.3 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -82.3 | 33.2 | -168.2 | -65.6 | -51.6 | 0 | 0 | 0 | 113.9 | E58 I59 | D33-E58 CarbonylContact O-C 3.31Å; D33-E58 WeakPolarHBondContact O-CA 3.47Å; D33-I59 HydrophobicContact CB-CB 3.94Å; D33-I59 WeakPolarHBondContact CB-O 3.09Å; D33-I59 PolarHBondContact O-N 2.9Å |
| 34 | K | 94.6 | Very high | 96.3 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.3 | -175.8 | -68.8 | -174.6 | -178.5 | -124.6 | 0 | 112.6 | M30 S32 E56 F57 E58 | M30-K34 HydrophobicContact CB-CB 4.06Å; M30-K34 VanDerWaalsContact CB-O 3.24Å; M30-K34 WeakPolarHBondContact CB-O 3.3Å; M30-K34 HydrophobicContact CG-CB 4.18Å; M30-K34 PolarHBondContact N-O 3.04Å; S32-K34 PolarHBondContact O-N 3.05Å; K34-E56 WeakPolarHBondContact CD-OE1 3.4Å; K34-E56 IonicContact NZ-OE1 2.77Å; K34-E56 PolarHBondContact NZ-OE1 2.92Å; K34-F57 CarbonylContact C-O 3.56Å; K34-F57 WeakPolarHBondContact CA-O 3.5Å; K34-E58 WeakPolarHBondContact CE-OE1 3.36Å; K34-E58 HydrophobicContact CG-CB 4.27Å; K34-E58 HydrophobicContact CG-CG 4.08Å; K34-E58 IonicContact NZ-OE1 2.92Å; K34-E58 PolarHBondContact NZ-OE1 3.1Å; K34-E58 IonicContact NZ-OE2 3.75Å |
| 35 | E | 96.8 | Very high | 96.1 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.3 | 174.8 | -74.2 | 178.4 | -125.3 | 0 | 0 | 108.9 | H27 I28 V29 F57 P89 | H27-E35 IonicContact CE1-OE2 2.92Å; H27-E35 PolarHBondContact CE1-OE2 3.35Å; H27-E35 WeakPolarHBondContact NE2-CB 3.42Å; H27-E35 IonicContact NE2-OE2 2.88Å; H27-E35 PolarHBondContact NE2-OE2 2.86Å; I28-E35 CarbonylContact O-C 3.59Å; I28-E35 WeakPolarHBondContact O-CA 3.45Å; V29-E35 HydrophobicContact CB-CG 4.44Å; V29-E35 HydrophobicContact CG1-CG 4.18Å; V29-E35 HydrophobicContact CG2-CG 4.21Å; E35-F57 HydrophobicContact CB-CB 4.26Å; E35-F57 HydrophobicContact CB-CD2 4.44Å; E35-F57 PolarHBondContact N-O 3.12Å; E35-F57 PolarHBondContact O-N 2.74Å; E35-P89 WeakPolarHBondContact OE2-CD 3.25Å; E35-P89 VanDerWaalsContact OE2-CG 3.3Å; E35-P89 WeakPolarHBondContact OE2-CG 3.26Å |
| 36 | I | 97.3 | Very high | 96 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129 | -172.5 | -62.4 | 174.9 | 0 | 0 | 0 | 108.9 | H27 I28 M30 L51 V54 T55 E56 I72 L74 | H27-I36 CarbonylContact C-O 3.57Å; H27-I36 WeakPolarHBondContact CA-O 3.28Å; I28-I36 HydrophobicContact CB-CB 4.37Å; I28-I36 PolarHBondContact N-O 3.15Å; I28-I36 PolarHBondContact O-N 2.76Å; M30-I36 HydrophobicContact CG-CD1 4.06Å; M30-I36 HydrophobicContact CG-CG1 4.39Å; M30-I36 HydrophobicContact SD-CD1 4.16Å; I36-L51 HydrophobicContact CG2-CD1 4.02Å; I36-V54 HydrophobicContact CG2-CG1 3.59Å; I36-T55 WeakPolarHBondContact CA-O 3.49Å; I36-E56 HydrophobicContact CG1-CG 4.4Å; I36-I72 HydrophobicContact CD1-CD1 4.13Å; I36-I72 HydrophobicContact CG2-CD1 4.11Å; I36-L74 HydrophobicContact CD1-CD1 3.39Å; I36-L74 HydrophobicContact CD1-CD2 4.2Å; I36-L74 HydrophobicContact CD1-CG 4.43Å |
| 37 | V | 97.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.1 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | R25 I26 H27 V54 T55 F57 G88 | R25-V37 HydrophobicContact CG-CG1 4.05Å; R25-V37 PolarHBondContact NH2-O 3.23Å; I26-V37 WeakPolarHBondContact O-CA 3.26Å; H27-V37 HydrophobicContact CB-CG2 3.93Å; V37-V54 CarbonylContact O-C 3.54Å; V37-V54 WeakPolarHBondContact O-CA 3.3Å; V37-T55 PolarHBondContact N-O 2.88Å; V37-T55 PolarHBondContact O-N 2.81Å; V37-F57 HydrophobicContact CB-CE2 4.2Å; V37-F57 HydrophobicContact CG2-CD2 4.36Å; V37-F57 HydrophobicContact CG2-CE2 3.74Å; V37-G88 VanDerWaalsContact CG2-CA 3.43Å |
| 38 | G | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 178 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R25 I26 E52 | R25-G38 CarbonylContact C-O 3.56Å; R25-G38 WeakPolarHBondContact CA-O 3.41Å; I26-G38 PolarHBondContact N-O 2.77Å; I26-G38 PolarHBondContact O-N 2.94Å; I26-G38 VanDerWaalsContact O-N 3.13Å; G38-E52 WeakPolarHBondContact CA-O 3.36Å |
| 39 | T | 98.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.8 | 171.1 | -58 | 0 | 0 | 0 | 0 | 108.7 | S24 L41 L51 E52 | S24-T39 WeakPolarHBondContact O-CA 3.43Å; T39-L41 PolarHBondContact O-N 3.14Å; T39-L51 VanDerWaalsContact O-CA 3.28Å; T39-L51 WeakPolarHBondContact O-CA 3.35Å; T39-E52 HydrophobicContact CG2-CG 4.34Å; T39-E52 PolarHBondContact N-O 2.8Å; T39-E52 PolarHBondContact O-N 3.3Å |
| 40 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 117.9 | 179.9 | -179.7 | 63.7 | 0 | 0 | 0 | 110.6 | V18 C21 I22 G23 S24 I26 G42 M49 L51 | V18-L40 HydrophobicContact CG1-CD2 4.01Å; C21-L40 HydrophobicContact CB-CD2 3.97Å; I22-L40 CarbonylContact C-O 3.57Å; I22-L40 WeakPolarHBondContact CA-O 3.36Å; I22-L40 HydrophobicContact CG1-CD2 4.02Å; I22-L40 HydrophobicContact CG1-CG 4.24Å; G23-L40 PolarHBondContact N-O 3.28Å; S24-L40 PolarHBondContact O-N 2.9Å; I26-L40 HydrophobicContact CG2-CB 4.09Å; L40-G42 WeakPolarHBondContact CD1-O 3.48Å; L40-M49 HydrophobicContact CD1-CB 3.95Å; L40-M49 HydrophobicContact CD1-CG 4.11Å; L40-M49 HydrophobicContact CD1-SD 3.94Å; L40-L51 HydrophobicContact CB-CD2 4.2Å; L40-L51 HydrophobicContact CD1-CD2 4.15Å |
| 41 | L | 98.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -31.9 | 175 | -69.6 | -177.4 | 0 | 0 | 0 | 112.5 | T39 V50 E52 | T39-L41 PolarHBondContact O-N 3.14Å; L41-V50 HydrophobicContact CB-CB 4.2Å; L41-V50 HydrophobicContact CB-CG1 4.12Å; L41-V50 WeakPolarHBondContact CB-O 3.36Å; L41-V50 HydrophobicContact CD1-CG1 3.99Å; L41-V50 PolarHBondContact N-O 3.07Å; L41-E52 HydrophobicContact CD1-CB 3.92Å; L41-E52 HydrophobicContact CD1-CG 4.1Å; L41-E52 VanDerWaalsContact CD2-CD 3.46Å; L41-E52 HydrophobicContact CD2-CG 3.95Å; L41-E52 HydrophobicContact CG-CB 4.26Å; L41-E52 HydrophobicContact CG-CG 3.96Å |
| 42 | G | 98 | Very high | 96.4 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | 168.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L40 M49 V50 | L40-G42 WeakPolarHBondContact CD1-O 3.48Å; G42-M49 WeakPolarHBondContact O-CA 3.45Å; G42-V50 PolarHBondContact O-N 2.82Å |
| 43 | F | 98 | Very high | 96.9 | Very high | 56 Ų | 56 | 50 Ų | 50 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 166 | 177.5 | 70.9 | -74.5 | 0 | 0 | 0 | 110.9 | L15 V18 D19 I22 N48 M49 | L15-F43 HydrophobicContact CD2-CE2 4.1Å; V18-F43 HydrophobicContact CB-CE1 4.33Å; V18-F43 HydrophobicContact CB-CZ 4.27Å; V18-F43 HydrophobicContact CG1-CD1 3.74Å; V18-F43 HydrophobicContact CG1-CD2 4.18Å; V18-F43 HydrophobicContact CG1-CE1 3.82Å; V18-F43 HydrophobicContact CG1-CE2 4.27Å; V18-F43 HydrophobicContact CG1-CG 3.94Å; V18-F43 HydrophobicContact CG1-CZ 4.09Å; D19-F43 HydrophobicContact CB-CE1 4.17Å; D19-F43 HydrophobicContact CB-CZ 4.33Å; I22-F43 HydrophobicContact CD1-CD1 4.33Å; I22-F43 HydrophobicContact CD1-CE1 4.17Å; F43-N48 CarbonylContact C-O 3.57Å; F43-N48 WeakPolarHBondContact CA-O 3.46Å; F43-N48 WeakPolarHBondContact CB-O 3.25Å; F43-M49 HydrophobicContact CB-CG 4.06Å |
| 44 | D | 96.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | trans | -111.3 | -179.7 | 175.3 | 72.2 | 5.3 | 0 | 0 | 0 | 112.7 | F46 V47 N48 | D44-F46 PolarHBondContact O-N 3.45Å; D44-F46 VanDerWaalsContact O-N 3.1Å; D44-F46 WeakPolarHBondContact OD1-CA 3.44Å; D44-F46 PolarHBondContact OD1-N 2.98Å; D44-V47 PolarHBondContact O-N 3.17Å; D44-V47 PolarHBondContact OD1-N 2.99Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 VanDerWaalsContact N-O 3.12Å; D44-N48 WeakPolarHBondContact OD1-CB 3.47Å; D44-N48 PolarHBondContact OD1-N 3.22Å; D44-N48 PolarHBondContact OD1-ND2 2.78Å; D44-N48 PolarHBondContact OD2-ND2 2.94Å | ||
| 45 | D | 94.4 | Very high | 97.4 | Very high | 149 Ų | 149 | 42.2 Ų | 42.2 | 80% | 0.797 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.5 | 179.5 | -66.5 | -25.3 | 0 | 0 | 0 | 113.9 | ||
| 46 | F | 94.9 | Very high | 97.4 | Very high | 153 Ų | 153 | 41.6 Ų | 41.6 | 67% | 0.671 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 5.2 | 176.4 | -58.1 | -75.8 | 0 | 0 | 0 | 112.5 | D44 N48 | D44-F46 PolarHBondContact O-N 3.45Å; D44-F46 VanDerWaalsContact O-N 3.1Å; D44-F46 WeakPolarHBondContact OD1-CA 3.44Å; D44-F46 PolarHBondContact OD1-N 2.98Å; F46-N48 PolarHBondContact O-N 2.97Å |
| 47 | V | 95.5 | Very high | 97.3 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | trans | 62.1 | 27.9 | -178.4 | -161.6 | 0 | 0 | 0 | 0 | 111.7 | L15 D44 M49 G76 I79 L82 | L15-V47 HydrophobicContact CD2-CG2 4.21Å; D44-V47 PolarHBondContact O-N 3.17Å; D44-V47 PolarHBondContact OD1-N 2.99Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; V47-G76 WeakPolarHBondContact O-CA 3.38Å; V47-I79 HydrophobicContact CG1-CD1 4.24Å; V47-I79 WeakPolarHBondContact O-CD1 3.45Å; V47-L82 HydrophobicContact CG1-CD1 4.32Å | ||
| 48 | N | 97.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | trans | -68.9 | 135.6 | 161.5 | -58.1 | -56.6 | 0 | 0 | 0 | 107.9 | F43 D44 F46 L74 N75 G76 | F43-N48 CarbonylContact C-O 3.57Å; F43-N48 WeakPolarHBondContact CA-O 3.46Å; F43-N48 WeakPolarHBondContact CB-O 3.25Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 VanDerWaalsContact N-O 3.12Å; D44-N48 WeakPolarHBondContact OD1-CB 3.47Å; D44-N48 PolarHBondContact OD1-N 3.22Å; D44-N48 PolarHBondContact OD1-ND2 2.78Å; D44-N48 PolarHBondContact OD2-ND2 2.94Å; F46-N48 PolarHBondContact O-N 2.97Å; N48-L74 CarbonylContact C-O 3.57Å; N48-L74 WeakPolarHBondContact CA-O 3.41Å; N48-L74 WeakPolarHBondContact CB-O 3.43Å; N48-N75 WeakPolarHBondContact OD1-CA 3.35Å; N48-G76 PolarHBondContact OD1-N 2.67Å | ||
| 49 | M | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.8 | -170.9 | -59.8 | -169.1 | 171.4 | 0 | 0 | 112 | V18 I28 L40 G42 F43 V47 L51 L73 L74 I79 L82 | V18-M49 HydrophobicContact CG1-CE 3.94Å; I28-M49 HydrophobicContact CD1-SD 3.54Å; I28-M49 VanDerWaalsContact CD1-SD 3.54Å; L40-M49 HydrophobicContact CD1-CB 3.95Å; L40-M49 HydrophobicContact CD1-CG 4.11Å; L40-M49 HydrophobicContact CD1-SD 3.94Å; G42-M49 WeakPolarHBondContact O-CA 3.45Å; F43-M49 HydrophobicContact CB-CG 4.06Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; M49-L51 HydrophobicContact CB-CG 4.43Å; M49-L73 CarbonylContact O-C 3.56Å; M49-L73 WeakPolarHBondContact O-CA 3.47Å; M49-L74 HydrophobicContact CB-CB 4.25Å; M49-L74 PolarHBondContact N-O 3.07Å; M49-L74 PolarHBondContact O-N 3.07Å; M49-I79 HydrophobicContact CE-CD1 4.12Å; M49-I79 HydrophobicContact CG-CD1 4.23Å; M49-I79 HydrophobicContact SD-CD1 4.1Å; M49-L82 HydrophobicContact CE-CD1 3.41Å; M49-L82 VanDerWaalsContact CE-CD1 3.41Å; M49-L82 HydrophobicContact CE-CD2 3.47Å; M49-L82 VanDerWaalsContact CE-CD2 3.47Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.99Å |
| 50 | V | 98.3 | Very high | 96.5 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126 | 165.8 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | L41 G42 Q71 I72 L73 | L41-V50 HydrophobicContact CB-CB 4.2Å; L41-V50 HydrophobicContact CB-CG1 4.12Å; L41-V50 WeakPolarHBondContact CB-O 3.36Å; L41-V50 HydrophobicContact CD1-CG1 3.99Å; L41-V50 PolarHBondContact N-O 3.07Å; G42-V50 PolarHBondContact O-N 2.82Å; V50-Q71 HydrophobicContact CG1-CG 4.26Å; V50-I72 WeakPolarHBondContact CA-O 3.2Å; V50-L73 HydrophobicContact CG2-CD1 3.99Å |
| 51 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.6 | -179.4 | -61.7 | 153.1 | 0 | 0 | 0 | 110.1 | I26 I28 I36 T39 L40 M49 V54 Q71 I72 L74 | I26-L51 HydrophobicContact CG2-CD2 3.6Å; I28-L51 HydrophobicContact CD1-CD1 3.55Å; I28-L51 HydrophobicContact CD1-CD2 4.13Å; I28-L51 HydrophobicContact CD1-CG 4.41Å; I36-L51 HydrophobicContact CG2-CD1 4.02Å; T39-L51 VanDerWaalsContact O-CA 3.28Å; T39-L51 WeakPolarHBondContact O-CA 3.35Å; L40-L51 HydrophobicContact CB-CD2 4.2Å; L40-L51 HydrophobicContact CD1-CD2 4.15Å; M49-L51 HydrophobicContact CB-CG 4.43Å; L51-V54 HydrophobicContact CB-CG2 3.62Å; L51-Q71 CarbonylContact O-C 3.58Å; L51-Q71 VanDerWaalsContact O-CA 3.25Å; L51-Q71 WeakPolarHBondContact O-CA 3.49Å; L51-Q71 WeakPolarHBondContact O-CG 3.49Å; L51-I72 HydrophobicContact CB-CG1 4.11Å; L51-I72 HydrophobicContact CD1-CD1 4.06Å; L51-I72 HydrophobicContact CD1-CG1 4.17Å; L51-I72 PolarHBondContact N-O 2.8Å; L51-I72 VanDerWaalsContact N-O 3.07Å; L51-I72 PolarHBondContact O-N 3.15Å; L51-L74 HydrophobicContact CD1-CB 4.43Å; L51-L74 HydrophobicContact CD1-CD2 4.16Å |
| 52 | E | 98.3 | Very high | 95.9 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 166.8 | 169.4 | 67.4 | -177.8 | -177 | 0 | 0 | 112.2 | G38 T39 L41 V54 D70 | G38-E52 WeakPolarHBondContact CA-O 3.36Å; T39-E52 HydrophobicContact CG2-CG 4.34Å; T39-E52 PolarHBondContact N-O 2.8Å; T39-E52 PolarHBondContact O-N 3.3Å; L41-E52 HydrophobicContact CD1-CB 3.92Å; L41-E52 HydrophobicContact CD1-CG 4.1Å; L41-E52 VanDerWaalsContact CD2-CD 3.46Å; L41-E52 HydrophobicContact CD2-CG 3.95Å; L41-E52 HydrophobicContact CG-CB 4.26Å; L41-E52 HydrophobicContact CG-CG 3.96Å; E52-V54 VanDerWaalsContact C-N 3.3Å; E52-V54 PolarHBondContact O-N 2.91Å; E52-D70 CarbonylContact C-O 3.55Å; E52-D70 VanDerWaalsContact CA-O 3.26Å; E52-D70 WeakPolarHBondContact CA-O 3.12Å |
| 53 | D | 97.7 | Very high | 95.5 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 47.8 | -179.3 | -67.7 | -36.2 | 0 | 0 | 0 | 112.7 | R25 D70 | R25-D53 PolarHBondContact NH2-O 2.84Å; D53-D70 PolarHBondContact N-O 3.02Å |
| 54 | V | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 139.7 | -164.4 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | I36 V37 L51 E52 K68 L69 I72 | I36-V54 HydrophobicContact CG2-CG1 3.59Å; V37-V54 CarbonylContact O-C 3.54Å; V37-V54 WeakPolarHBondContact O-CA 3.3Å; L51-V54 HydrophobicContact CB-CG2 3.62Å; E52-V54 VanDerWaalsContact C-N 3.3Å; E52-V54 PolarHBondContact O-N 2.91Å; V54-K68 WeakPolarHBondContact O-CA 3.45Å; V54-L69 HydrophobicContact CB-CB 4.22Å; V54-L69 WeakPolarHBondContact CB-O 3.45Å; V54-L69 PolarHBondContact N-O 2.76Å; V54-L69 PolarHBondContact O-N 2.96Å; V54-I72 HydrophobicContact CB-CG2 4.5Å; V54-I72 HydrophobicContact CG1-CD1 4.13Å; V54-I72 HydrophobicContact CG1-CG2 4.46Å; V54-I72 HydrophobicContact CG2-CG1 4.13Å; V54-I72 HydrophobicContact CG2-CG2 4.33Å |
| 55 | T | 97.4 | Very high | 95 | Very high | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.9 | 166.5 | -46 | 0 | 0 | 0 | 0 | 108.7 | I36 V37 F57 I66 T67 K68 | I36-T55 WeakPolarHBondContact CA-O 3.49Å; V37-T55 PolarHBondContact N-O 2.88Å; V37-T55 PolarHBondContact O-N 2.81Å; T55-F57 HydrophobicContact CG2-CD1 4.36Å; T55-F57 HydrophobicContact CG2-CE1 3.71Å; T55-F57 HydrophobicContact CG2-CE2 3.86Å; T55-F57 HydrophobicContact CG2-CZ 3.45Å; T55-F57 VanDerWaalsContact CG2-CZ 3.45Å; T55-I66 HydrophobicContact CG2-CG2 3.64Å; T55-T67 CarbonylContact C-O 3.59Å; T55-T67 WeakPolarHBondContact CA-O 3.33Å; T55-K68 HydrophobicContact CG2-CD 3.99Å; T55-K68 WeakPolarHBondContact OG1-CD 3.24Å; T55-K68 WeakPolarHBondContact OG1-CE 3.18Å; T55-K68 PolarHBondContact OG1-NZ 3.31Å |
| 56 | E | 96.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.6 | 171.5 | -177.9 | -174.7 | -167 | 0 | 0 | 108.9 | K34 I36 I66 T67 | K34-E56 WeakPolarHBondContact CD-OE1 3.4Å; K34-E56 IonicContact NZ-OE1 2.77Å; K34-E56 PolarHBondContact NZ-OE1 2.92Å; I36-E56 HydrophobicContact CG1-CG 4.4Å; E56-I66 WeakPolarHBondContact O-CA 3.33Å; E56-T67 PolarHBondContact N-O 2.79Å; E56-T67 PolarHBondContact O-N 2.83Å |
| 57 | F | 96 | Very high | 95.1 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.7 | 171.3 | -55.1 | -76.2 | 0 | 0 | 0 | 108.1 | K34 E35 V37 T55 R64 R65 I66 P89 | K34-F57 CarbonylContact C-O 3.56Å; K34-F57 WeakPolarHBondContact CA-O 3.5Å; E35-F57 HydrophobicContact CB-CB 4.26Å; E35-F57 HydrophobicContact CB-CD2 4.44Å; E35-F57 PolarHBondContact N-O 3.12Å; E35-F57 PolarHBondContact O-N 2.74Å; V37-F57 HydrophobicContact CB-CE2 4.2Å; V37-F57 HydrophobicContact CG2-CD2 4.36Å; V37-F57 HydrophobicContact CG2-CE2 3.74Å; T55-F57 HydrophobicContact CG2-CD1 4.36Å; T55-F57 HydrophobicContact CG2-CE1 3.71Å; T55-F57 HydrophobicContact CG2-CE2 3.86Å; T55-F57 HydrophobicContact CG2-CZ 3.45Å; T55-F57 VanDerWaalsContact CG2-CZ 3.45Å; F57-R64 VanDerWaalsContact CD1-CZ 3.47Å; F57-R65 WeakPolarHBondContact CA-O 3.43Å; F57-I66 HydrophobicContact CD1-CB 4.46Å; F57-I66 HydrophobicContact CD1-CD1 4.16Å; F57-I66 HydrophobicContact CD1-CG1 3.91Å; F57-I66 HydrophobicContact CD1-CG2 4.07Å; F57-I66 HydrophobicContact CE1-CD1 4.02Å; F57-I66 HydrophobicContact CE1-CG1 4.21Å; F57-I66 HydrophobicContact CE1-CG2 3.93Å; F57-P89 HydrophobicContact CB-CG 4.49Å; F57-P89 HydrophobicContact CD2-CG 4.42Å; F57-P89 HydrophobicContact CG-CG 4.4Å |
| 58 | E | 95 | Very high | 95.2 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124 | 179.5 | -179.2 | 175.8 | -143.3 | 0 | 0 | 108.8 | D33 K34 T60 R64 R65 | D33-E58 CarbonylContact O-C 3.31Å; D33-E58 WeakPolarHBondContact O-CA 3.47Å; K34-E58 WeakPolarHBondContact CE-OE1 3.36Å; K34-E58 HydrophobicContact CG-CB 4.27Å; K34-E58 HydrophobicContact CG-CG 4.08Å; K34-E58 IonicContact NZ-OE1 2.92Å; K34-E58 PolarHBondContact NZ-OE1 3.1Å; K34-E58 IonicContact NZ-OE2 3.75Å; E58-T60 HydrophobicContact CG-CG2 3.91Å; E58-T60 PolarHBondContact O-N 2.9Å; E58-R64 CarbonylContact O-C 3.52Å; E58-R64 WeakPolarHBondContact O-CA 3.48Å; E58-R65 HydrophobicContact CB-CB 4.39Å; E58-R65 PolarHBondContact N-O 3.32Å; E58-R65 PolarHBondContact O-N 2.96Å |
| 59 | I | 91.5 | Very high | 95.2 | Very high | 98 Ų | 98 | 64.5 Ų | 64.5 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 114.8 | 171.9 | -51.6 | 169.2 | 0 | 0 | 0 | 107.3 | D33 | D33-I59 HydrophobicContact CB-CB 3.94Å; D33-I59 WeakPolarHBondContact CB-O 3.09Å; D33-I59 PolarHBondContact O-N 2.9Å |
| 60 | T | 91.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 71.4 Ų | 71.4 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 162 | 176.6 | 66.4 | 0 | 0 | 0 | 0 | 109.6 | E58 E62 G63 R65 | E58-T60 HydrophobicContact CG-CG2 3.91Å; E58-T60 PolarHBondContact O-N 2.9Å; T60-E62 PolarHBondContact O-N 3.48Å; T60-E62 VanDerWaalsContact O-N 3.11Å; T60-E62 PolarHBondContact OG1-OE2 2.9Å; T60-G63 WeakPolarHBondContact CA-O 3.36Å; T60-G63 PolarHBondContact N-O 2.76Å; T60-G63 PolarHBondContact O-N 2.85Å; T60-G63 PolarHBondContact OG1-N 2.79Å; T60-G63 PolarHBondContact OG1-O 2.9Å; T60-R65 HydrophobicContact CG2-CB 4.28Å |
| 61 | P | 91.2 | Very high | 95.2 | Very high | 130 Ų | 130 | 74.9 Ų | 74.9 | 84% | 0.844 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.2 | 172.8 | -26.3 | 36 | 0 | 0 | 0 | 113.8 | ||
| 62 | E | 91.4 | Very high | 95.2 | Very high | 166 Ų | 166 | 76.4 Ų | 76.4 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8 | 178.3 | -59.3 | 73.8 | -157 | 0 | 0 | 113.7 | T60 | T60-E62 PolarHBondContact O-N 3.48Å; T60-E62 VanDerWaalsContact O-N 3.11Å; T60-E62 PolarHBondContact OG1-OE2 2.9Å |
| 63 | G | 90 | Very high | 95.2 | Very high | 33 Ų | 33 | 79.5 Ų | 79.5 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.6 | -164.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T60 | T60-G63 WeakPolarHBondContact CA-O 3.36Å; T60-G63 PolarHBondContact N-O 2.76Å; T60-G63 PolarHBondContact O-N 2.85Å; T60-G63 PolarHBondContact OG1-N 2.79Å; T60-G63 PolarHBondContact OG1-O 2.9Å |
| 64 | R | 90.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 75.4 Ų | 75.4 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.4 | 179.8 | -175.4 | 173.1 | 171.7 | -169.3 | -3.8 | 110.6 | F57 E58 I66 P89 E90 | F57-R64 VanDerWaalsContact CD1-CZ 3.47Å; E58-R64 CarbonylContact O-C 3.52Å; E58-R64 WeakPolarHBondContact O-CA 3.48Å; R64-I66 HydrophobicContact CG-CG1 4.44Å; R64-P89 PolarHBondContact NH1-O 2.77Å; R64-P89 PolarHBondContact NH2-O 2.86Å; R64-E90 PolarHBondContact NH1-O 2.94Å |
| 65 | R | 94 | Very high | 95 | Very high | 149 Ų | 149 | 79 Ų | 79 | 56% | 0.562 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.9 | 170.8 | -177.5 | 178.5 | 178.5 | 170.6 | 0.7 | 109.5 | F57 E58 T60 | F57-R65 WeakPolarHBondContact CA-O 3.43Å; E58-R65 HydrophobicContact CB-CB 4.39Å; E58-R65 PolarHBondContact N-O 3.32Å; E58-R65 PolarHBondContact O-N 2.96Å; T60-R65 HydrophobicContact CG2-CB 4.28Å |
| 66 | I | 95.2 | Very high | 94.9 | Very high | 82 Ų | 82 | 79.2 Ų | 79.2 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.7 | 177.1 | -49.3 | -175.1 | 0 | 0 | 0 | 108.5 | T55 E56 F57 R64 | T55-I66 HydrophobicContact CG2-CG2 3.64Å; E56-I66 WeakPolarHBondContact O-CA 3.33Å; F57-I66 HydrophobicContact CD1-CB 4.46Å; F57-I66 HydrophobicContact CD1-CD1 4.16Å; F57-I66 HydrophobicContact CD1-CG1 3.91Å; F57-I66 HydrophobicContact CD1-CG2 4.07Å; F57-I66 HydrophobicContact CE1-CD1 4.02Å; F57-I66 HydrophobicContact CE1-CG1 4.21Å; F57-I66 HydrophobicContact CE1-CG2 3.93Å; R64-I66 HydrophobicContact CG-CG1 4.44Å |
| 67 | T | 96.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 82.9 Ų | 82.9 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.8 | 178.1 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | T55 E56 L69 | T55-T67 CarbonylContact C-O 3.59Å; T55-T67 WeakPolarHBondContact CA-O 3.33Å; E56-T67 PolarHBondContact N-O 2.79Å; E56-T67 PolarHBondContact O-N 2.83Å; T67-L69 HydrophobicContact CG2-CD2 4.05Å; T67-L69 HydrophobicContact CG2-CG 4.14Å |
| 68 | K | 97.2 | Very high | 94.8 | Very high | 151 Ų | 151 | 85.9 Ų | 85.9 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.2 | 173.1 | -65.9 | -71.7 | -175.4 | 171.6 | 0 | 109.2 | V54 T55 | V54-K68 WeakPolarHBondContact O-CA 3.45Å; T55-K68 HydrophobicContact CG2-CD 3.99Å; T55-K68 WeakPolarHBondContact OG1-CD 3.24Å; T55-K68 WeakPolarHBondContact OG1-CE 3.18Å; T55-K68 PolarHBondContact OG1-NZ 3.31Å |
| 69 | L | 97.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 85 Ų | 85 | 35% | 0.351 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.1 | -178.9 | -59.6 | 168.6 | 0 | 0 | 0 | 108.9 | V54 T67 I72 | V54-L69 HydrophobicContact CB-CB 4.22Å; V54-L69 WeakPolarHBondContact CB-O 3.45Å; V54-L69 PolarHBondContact N-O 2.76Å; V54-L69 PolarHBondContact O-N 2.96Å; T67-L69 HydrophobicContact CG2-CD2 4.05Å; T67-L69 HydrophobicContact CG2-CG 4.14Å; L69-I72 HydrophobicContact CB-CG2 3.93Å; L69-I72 HydrophobicContact CD1-CG2 3.57Å; L69-I72 HydrophobicContact CG-CG2 4.38Å |
| 70 | D | 97.8 | Very high | 95.1 | Very high | 145 Ų | 145 | 84.7 Ų | 84.7 | 78% | 0.775 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -45.3 | -177.8 | -62 | -19.7 | 0 | 0 | 0 | 111.4 | E52 D53 | E52-D70 CarbonylContact C-O 3.55Å; E52-D70 VanDerWaalsContact CA-O 3.26Å; E52-D70 WeakPolarHBondContact CA-O 3.12Å; D53-D70 PolarHBondContact N-O 3.02Å |
| 71 | Q | 97.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 87.9 Ų | 87.9 | 58% | 0.584 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151 | 143.5 | 179.2 | -171 | 175.5 | 63.8 | 0 | 0 | 111 | V50 L51 | V50-Q71 HydrophobicContact CG1-CG 4.26Å; L51-Q71 CarbonylContact O-C 3.58Å; L51-Q71 VanDerWaalsContact O-CA 3.25Å; L51-Q71 WeakPolarHBondContact O-CA 3.49Å; L51-Q71 WeakPolarHBondContact O-CG 3.49Å |
| 72 | I | 98.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 83.8 Ų | 83.8 | 16% | 0.159 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 157.3 | 173.6 | 76.4 | 172.2 | 0 | 0 | 0 | 111.8 | I36 V50 L51 V54 L69 L74 | I36-I72 HydrophobicContact CD1-CD1 4.13Å; I36-I72 HydrophobicContact CG2-CD1 4.11Å; V50-I72 WeakPolarHBondContact CA-O 3.2Å; L51-I72 HydrophobicContact CB-CG1 4.11Å; L51-I72 HydrophobicContact CD1-CD1 4.06Å; L51-I72 HydrophobicContact CD1-CG1 4.17Å; L51-I72 PolarHBondContact N-O 2.8Å; L51-I72 VanDerWaalsContact N-O 3.07Å; L51-I72 PolarHBondContact O-N 3.15Å; V54-I72 HydrophobicContact CB-CG2 4.5Å; V54-I72 HydrophobicContact CG1-CD1 4.13Å; V54-I72 HydrophobicContact CG1-CG2 4.46Å; V54-I72 HydrophobicContact CG2-CG1 4.13Å; V54-I72 HydrophobicContact CG2-CG2 4.33Å; L69-I72 HydrophobicContact CB-CG2 3.93Å; L69-I72 HydrophobicContact CD1-CG2 3.57Å; L69-I72 HydrophobicContact CG-CG2 4.38Å; I72-L74 HydrophobicContact CD1-CB 4.32Å; I72-L74 HydrophobicContact CD1-CD1 4.2Å |
| 73 | L | 97.8 | Very high | 95.9 | Very high | 136 Ų | 136 | 78.2 Ų | 78.2 | 71% | 0.712 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.9 | 158.2 | 176.6 | 65.4 | 0 | 0 | 0 | 108.3 | M49 V50 | M49-L73 CarbonylContact O-C 3.56Å; M49-L73 WeakPolarHBondContact O-CA 3.47Å; V50-L73 HydrophobicContact CG2-CD1 3.99Å |
| 74 | L | 96.5 | Very high | 96.2 | Very high | 14 Ų | 14 | 79.8 Ų | 79.8 | 7% | 0.073 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.9 | -178.3 | -168.6 | 65.3 | 0 | 0 | 0 | 110.9 | I28 M30 I36 N48 M49 L51 I72 I79 | I28-L74 HydrophobicContact CB-CD2 4.43Å; I28-L74 HydrophobicContact CD1-CD2 3.58Å; I28-L74 HydrophobicContact CG2-CD2 3.86Å; M30-L74 HydrophobicContact CE-CD1 3.48Å; M30-L74 VanDerWaalsContact CE-CD1 3.48Å; M30-L74 HydrophobicContact CE-CD2 4.37Å; M30-L74 HydrophobicContact CE-CG 4.02Å; M30-L74 HydrophobicContact SD-CD1 3.8Å; M30-L74 HydrophobicContact SD-CD2 3.77Å; M30-L74 HydrophobicContact SD-CG 4.09Å; I36-L74 HydrophobicContact CD1-CD1 3.39Å; I36-L74 HydrophobicContact CD1-CD2 4.2Å; I36-L74 HydrophobicContact CD1-CG 4.43Å; N48-L74 CarbonylContact C-O 3.57Å; N48-L74 WeakPolarHBondContact CA-O 3.41Å; N48-L74 WeakPolarHBondContact CB-O 3.43Å; M49-L74 HydrophobicContact CB-CB 4.25Å; M49-L74 PolarHBondContact N-O 3.07Å; M49-L74 PolarHBondContact O-N 3.07Å; L51-L74 HydrophobicContact CD1-CB 4.43Å; L51-L74 HydrophobicContact CD1-CD2 4.16Å; I72-L74 HydrophobicContact CD1-CB 4.32Å; I72-L74 HydrophobicContact CD1-CD1 4.2Å; L74-I79 HydrophobicContact CD2-CD1 3.98Å; L74-I79 HydrophobicContact CD2-CG1 4.14Å |
| 75 | N | 95.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 78.3 Ų | 78.3 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | trans | -81 | 119.4 | 177 | -172.7 | -39.4 | 0 | 0 | 0 | 111.1 | N48 N77 N78 | N48-N75 WeakPolarHBondContact OD1-CA 3.35Å; N75-N77 VanDerWaalsContact C-N 3.26Å; N75-N77 PolarHBondContact O-N 3.11Å; N75-N77 VanDerWaalsContact OD1-CB 3.26Å; N75-N77 WeakPolarHBondContact OD1-CB 3.38Å; N75-N77 PolarHBondContact OD1-N 3.4Å; N75-N78 PolarHBondContact O-N 2.83Å | ||
| 76 | G | 95.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 12% | 0.124 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -62.7 | -26.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V47 N48 N78 I79 | V47-G76 WeakPolarHBondContact O-CA 3.38Å; N48-G76 PolarHBondContact OD1-N 2.67Å; G76-N78 PolarHBondContact O-N 2.95Å; G76-N78 VanDerWaalsContact O-N 3.13Å; G76-I79 PolarHBondContact O-N 2.92Å |
| 77 | N | 95.7 | Very high | 96.2 | Very high | 110 Ų | 110 | 76.4 Ų | 76.4 | 59% | 0.588 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -63.5 | -23.3 | 178.9 | -70.2 | -35 | 0 | 0 | 0 | 113.2 | K31 N75 | K31-N77 VanDerWaalsContact CE-O 3.25Å; K31-N77 WeakPolarHBondContact CE-O 3.4Å; K31-N77 PolarHBondContact NZ-O 3.44Å; N75-N77 VanDerWaalsContact C-N 3.26Å; N75-N77 PolarHBondContact O-N 3.11Å; N75-N77 VanDerWaalsContact OD1-CB 3.26Å; N75-N77 WeakPolarHBondContact OD1-CB 3.38Å; N75-N77 PolarHBondContact OD1-N 3.4Å |
| 78 | N | 94.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 75.7 Ų | 75.7 | 43% | 0.428 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -98.6 | 5.3 | -180 | -67 | -28.8 | 0 | 0 | 0 | 112.6 | M30 K31 N75 G76 | M30-N78 CarbonylContact C-O 3.57Å; M30-N78 VanDerWaalsContact C-O 3.31Å; M30-N78 WeakPolarHBondContact CA-O 3.47Å; M30-N78 HydrophobicContact CE-CB 3.44Å; M30-N78 VanDerWaalsContact CE-CB 3.44Å; K31-N78 PolarHBondContact N-O 2.84Å; N75-N78 PolarHBondContact O-N 2.83Å; G76-N78 PolarHBondContact O-N 2.95Å; G76-N78 VanDerWaalsContact O-N 3.13Å |
| 79 | I | 96.3 | Very high | 95.5 | Very high | 27 Ų | 27 | 70.4 Ų | 70.4 | 14% | 0.138 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.2 | 176.6 | -62.8 | 178.2 | 0 | 0 | 0 | 109.3 | I28 M30 V47 M49 L74 G76 L82 | I28-I79 HydrophobicContact CG2-CB 4.46Å; I28-I79 HydrophobicContact CG2-CD1 4.18Å; I28-I79 HydrophobicContact CG2-CG1 3.92Å; I28-I79 HydrophobicContact CG2-CG2 3.96Å; M30-I79 HydrophobicContact SD-CG1 4.03Å; V47-I79 HydrophobicContact CG1-CD1 4.24Å; V47-I79 WeakPolarHBondContact O-CD1 3.45Å; M49-I79 HydrophobicContact CE-CD1 4.12Å; M49-I79 HydrophobicContact CG-CD1 4.23Å; M49-I79 HydrophobicContact SD-CD1 4.1Å; L74-I79 HydrophobicContact CD2-CD1 3.98Å; L74-I79 HydrophobicContact CD2-CG1 4.14Å; G76-I79 PolarHBondContact O-N 2.92Å; I79-L82 HydrophobicContact CD1-CD2 4.44Å; I79-L82 HydrophobicContact CG2-CD2 3.84Å; I79-L82 HydrophobicContact CG2-CG 4.01Å |
| 80 | T | 96.4 | Very high | 94.5 | Very high | 92 Ų | 92 | 76.2 Ų | 76.2 | 56% | 0.564 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -44.9 | 174.8 | -57.6 | 0 | 0 | 0 | 0 | 111 | V29 M30 K31 | V29-T80 WeakPolarHBondContact O-CA 3.47Å; V29-T80 WeakPolarHBondContact O-CB 3.43Å; V29-T80 PolarHBondContact O-N 3.04Å; M30-T80 PolarHBondContact O-OG1 3.13Å; K31-T80 PolarHBondContact N-OG1 2.67Å |
| 81 | M | 95.9 | Very high | 92.7 | Very high | 101 Ų | 101 | 77.4 Ų | 77.4 | 50% | 0.498 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 147.2 | -177 | -174.5 | 172.5 | 61.6 | 0 | 0 | 111.3 | I28 V29 V83 | I28-M81 WeakPolarHBondContact CA-O 3.46Å; V29-M81 HydrophobicContact CB-CB 4.15Å; V29-M81 HydrophobicContact CG2-CB 4.38Å; V29-M81 HydrophobicContact CG2-CE 3.73Å; V29-M81 PolarHBondContact N-O 3.13Å; V29-M81 PolarHBondContact O-N 3.23Å; V29-M81 VanDerWaalsContact O-N 3.15Å; M81-V83 HydrophobicContact CE-CG2 3.83Å; M81-V83 HydrophobicContact CG-CG2 4.16Å; M81-V83 HydrophobicContact SD-CG2 4.27Å |
| 82 | L | 96.7 | Very high | 92.4 | Very high | 45 Ų | 45 | 75 Ų | 75 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.4 | 174.6 | -63.5 | 172.5 | 0 | 0 | 0 | 108.9 | V18 I26 I28 V47 M49 I79 | V18-L82 HydrophobicContact CG2-CD1 3.63Å; I26-L82 HydrophobicContact CD1-CB 4.2Å; I26-L82 HydrophobicContact CD1-CD2 4Å; I28-L82 HydrophobicContact CB-CD2 4.2Å; I28-L82 HydrophobicContact CD1-CD2 4.17Å; I28-L82 HydrophobicContact CG1-CD2 3.69Å; I28-L82 HydrophobicContact CG2-CD2 3.87Å; V47-L82 HydrophobicContact CG1-CD1 4.32Å; M49-L82 HydrophobicContact CE-CD1 3.41Å; M49-L82 VanDerWaalsContact CE-CD1 3.41Å; M49-L82 HydrophobicContact CE-CD2 3.47Å; M49-L82 VanDerWaalsContact CE-CD2 3.47Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.99Å; I79-L82 HydrophobicContact CD1-CD2 4.44Å; I79-L82 HydrophobicContact CG2-CD2 3.84Å; I79-L82 HydrophobicContact CG2-CG 4.01Å |
| 83 | V | 96.7 | Very high | 92.1 | Very high | 48 Ų | 48 | 77.3 Ų | 77.3 | 29% | 0.291 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 97.8 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | H27 M81 G85 G86 | H27-V83 HydrophobicContact CB-CB 4.11Å; H27-V83 PolarHBondContact N-O 2.82Å; H27-V83 PolarHBondContact O-N 3.26Å; M81-V83 HydrophobicContact CE-CG2 3.83Å; M81-V83 HydrophobicContact CG-CG2 4.16Å; M81-V83 HydrophobicContact SD-CG2 4.27Å; V83-G85 PolarHBondContact O-N 2.94Å; V83-G86 PolarHBondContact O-N 3.02Å; V83-G86 VanDerWaalsContact O-N 3.15Å |
| 84 | P | 95.8 | Very high | 91.8 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 129.4 | 175.1 | -25.8 | 35.7 | 0 | 0 | 0 | 111.4 | L17 C21 G86 | L17-P84 HydrophobicContact CG-CG 4.44Å; C21-P84 VanDerWaalsContact SG-CB 3.57Å; C21-P84 VanDerWaalsContact SG-CG 3.55Å; P84-G86 PolarHBondContact O-N 3.25Å |
| 85 | G | 94.7 | Very high | 91.5 | Very high | 52 Ų | 52 | 77.6 Ų | 77.6 | 54% | 0.536 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 4.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R25 V83 | R25-G85 VanDerWaalsContact O-CA 3.31Å; R25-G85 WeakPolarHBondContact O-CA 2.92Å; R25-G85 PolarHBondContact O-N 3.32Å; V83-G85 PolarHBondContact O-N 2.94Å |
| 86 | G | 93.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 77.7 Ų | 77.7 | 13% | 0.134 | 45% | 0.449 | C | S | . | . | trans | -68 | 143.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V83 P84 | V83-G86 PolarHBondContact O-N 3.02Å; V83-G86 VanDerWaalsContact O-N 3.15Å; P84-G86 PolarHBondContact O-N 3.25Å | ||
| 87 | E | 92 | Very high | 91 | Very high | 177 Ų | 177 | 82.1 Ų | 82.1 | 83% | 0.827 | 47% | 0.471 | S | S | * | . | trans | -97.1 | -0.8 | -178.7 | -60.9 | -172 | 161 | 0 | 0 | 113.4 | ||||
| 88 | G | 90.3 | Very high | 90.6 | Very high | 21 Ų | 21 | 80.1 Ų | 80.1 | 22% | 0.216 | 46% | 0.462 | C | S | . | . | trans | 91 | -172.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | V37 | V37-G88 VanDerWaalsContact CG2-CA 3.43Š| ||
| 89 | P | 88.9 | Confident | 90.3 | Very high | 40 Ų | 40 | 80.1 Ų | 80.1 | 26% | 0.26 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -68.2 | 139.5 | 175.4 | 6.5 | 0.2 | 0 | 0 | 0 | 110.2 | E35 F57 R64 V91 | E35-P89 WeakPolarHBondContact OE2-CD 3.25Å; E35-P89 VanDerWaalsContact OE2-CG 3.3Å; E35-P89 WeakPolarHBondContact OE2-CG 3.26Å; F57-P89 HydrophobicContact CB-CG 4.49Å; F57-P89 HydrophobicContact CD2-CG 4.42Å; F57-P89 HydrophobicContact CG-CG 4.4Å; R64-P89 PolarHBondContact NH1-O 2.77Å; R64-P89 PolarHBondContact NH2-O 2.86Å; P89-V91 PolarHBondContact O-N 2.73Å |
| 90 | E | 77.5 | Confident | 89.8 | Confident | 189 Ų | 189 | 84.5 Ų | 84.5 | 88% | 0.883 | 49% | 0.492 | S | S | * | . | trans | -50.8 | 132 | 169.8 | -65.4 | -176.7 | 176.1 | 0 | 0 | 109.2 | R64 | R64-E90 PolarHBondContact NH1-O 2.94Š| ||
| 91 | V | 59.4 | Low | 89.2 | Confident | 169 Ų | 169 | 83.8 Ų | 83.8 | 100% | 1.024 | 49% | 0.485 | S | S | * | . | trans | -81.6 | 0 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | P89 | P89-V91 PolarHBondContact O-N 2.73Š|
Retrieved 91 of 91 residues in 62.2 ms
(Link to these results)