| 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 | 29.6 | Very low | 38.8 | Very low | 239 Ų | 239 | 125 Ų | 125 | 100% | 1.177 | 78% | 0.776 | S | S | * | * | 0 | 90.3 | 0 | -63.5 | -172.3 | -63.5 | 0 | 0 | 107 | |||||
| 2 | I | 31.3 | Very low | 41.3 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -141.8 | 108 | 179.5 | -55 | -179.6 | 0 | 0 | 0 | 106.8 | A4 | I2-A4 PolarHBondContact O-N 3.44Š| ||
| 3 | D | 30 | Very low | 44 | Very low | 132 Ų | 132 | 117 Ų | 117 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | 25.5 | 84.5 | 165.8 | -63.4 | -30.4 | 0 | 0 | 0 | 118.7 | T5 | D3-T5 PolarHBondContact O-N 3.29Š| ||
| 4 | A | 34.3 | Very low | 46.8 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 87% | 0.868 | 69% | 0.689 | S | S | * | * | trans | -74.8 | 62.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I2 G6 | I2-A4 PolarHBondContact O-N 3.44Å; A4-G6 VanDerWaalsContact C-N 3.35Å | ||
| 5 | T | 38.6 | Very low | 49.4 | Very low | 106 Ų | 106 | 111.1 Ų | 111.1 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | trans | -105.2 | 40.5 | 164.5 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | D3 H7 | D3-T5 PolarHBondContact O-N 3.29Å; T5-H7 PolarHBondContact O-N 3.12Å | ||
| 6 | G | 33.7 | Very low | 51.7 | Low | 77 Ų | 77 | 111.3 Ų | 111.3 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | trans | -70.2 | 47.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A4 G8 | A4-G6 VanDerWaalsContact C-N 3.35Å; G6-G8 VanDerWaalsContact C-N 3.34Å; G6-G8 PolarHBondContact O-N 2.79Å | ||
| 7 | H | 39.1 | Very low | 53.9 | Low | 181 Ų | 181 | 108.4 Ų | 108.4 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | trans | -91.7 | 79.1 | 160 | -76.6 | -43.4 | 0 | 0 | 0 | 107.6 | T5 S9 | T5-H7 PolarHBondContact O-N 3.12Å; H7-S9 PolarHBondContact O-N 3.31Å | ||
| 8 | G | 39.1 | Very low | 55.9 | Low | 71 Ų | 71 | 106.1 Ų | 106.1 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | trans | -54.4 | 121.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | G6 A10 | G6-G8 VanDerWaalsContact C-N 3.34Å; G6-G8 PolarHBondContact O-N 2.79Å; G8-A10 PolarHBondContact O-N 3.39Å | ||
| 9 | S | 43.7 | Very low | 57.7 | Low | 99 Ų | 99 | 101 Ų | 101 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | trans | -51.9 | 124.9 | 174.4 | 45.6 | 0 | 0 | 0 | 0 | 107.9 | H7 E11 | H7-S9 PolarHBondContact O-N 3.31Å; S9-E11 PolarHBondContact O-N 3Å | ||
| 10 | A | 49.2 | Very low | 59.4 | Low | 83 Ų | 83 | 100 Ų | 100 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | trans | -56.3 | 109.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | G8 Q12 | G8-A10 PolarHBondContact O-N 3.39Å; A10-Q12 PolarHBondContact O-N 2.96Å | ||
| 11 | E | 57.8 | Low | 61 | Low | 120 Ų | 120 | 100.7 Ų | 100.7 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 125.6 | -176.7 | -60.4 | -169 | 170.1 | 0 | 0 | 108.3 | S9 N38 | S9-E11 PolarHBondContact O-N 3Å; E11-N38 HydrophobicContact CB-CB 4.29Å; E11-N38 WeakPolarHBondContact CB-ND2 3.39Å; E11-N38 PolarHBondContact OE2-ND2 3.48Å; E11-N38 PolarHBondContact OE2-OD1 2.95Å |
| 12 | Q | 69.1 | Low | 63.8 | Low | 141 Ų | 141 | 90.2 Ų | 90.2 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 144.4 | -177.9 | -161.9 | 176 | 1.2 | 0 | 0 | 110.3 | A10 E102 | A10-Q12 PolarHBondContact O-N 2.96Å; Q12-E102 HydrophobicContact CG-CG 4.32Å; Q12-E102 WeakPolarHBondContact CG-OE1 3.25Å |
| 13 | Q | 76.6 | Confident | 66.6 | Low | 5 Ų | 5 | 86.2 Ų | 86.2 | 2% | 0.023 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 147.1 | 173.9 | -61.4 | -174.6 | 6.5 | 0 | 0 | 110.1 | T99 E102 L106 | Q13-T99 PolarHBondContact NE2-OG1 2.68Å; Q13-E102 PolarHBondContact N-OE1 2.81Å; Q13-L106 HydrophobicContact CB-CD1 3.76Å; Q13-L106 HydrophobicContact CB-CG 4.46Å |
| 14 | Y | 83.5 | Confident | 69.5 | Low | 108 Ų | 108 | 80.3 Ų | 80.3 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.8 | 172.5 | 67.8 | -81.4 | 0 | 0 | 0 | 111.3 | Q16 V36 G37 N38 | Y14-Q16 HydrophobicContact CE2-CB 4.05Å; Y14-Q16 PolarHBondContact O-N 3.43Å; Y14-V36 CarbonylContact O-C 3.55Å; Y14-V36 WeakPolarHBondContact O-CA 3.29Å; Y14-G37 PolarHBondContact N-O 2.77Å; Y14-G37 PolarHBondContact O-N 3.49Å; Y14-N38 HydrophobicContact CD1-CB 4.43Å; Y14-N38 HydrophobicContact CE1-CB 4.32Å; Y14-N38 WeakPolarHBondContact CE1-ND2 3.32Å |
| 15 | F | 85.1 | Confident | 72 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 17% | 0.167 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 110.1 | 168 | -68.3 | -66.5 | 0 | 0 | 0 | 109.8 | P18 C34 V35 V36 C94 V96 L106 R107 A108 | F15-P18 HydrophobicContact CB-CB 3.89Å; F15-P18 HydrophobicContact CB-CG 4.47Å; F15-P18 HydrophobicContact CG-CB 4.22Å; F15-C34 VanDerWaalsContact CE1-SG 3.57Å; F15-V35 CarbonylContact C-O 3.59Å; F15-V36 HydrophobicContact CD1-CG2 4.21Å; F15-V36 HydrophobicContact CE1-CG2 4.24Å; F15-C94 HydrophobicContact CE1-CB 4.45Å; F15-V96 HydrophobicContact CE1-CG2 3.62Å; F15-V96 HydrophobicContact CZ-CG2 3.87Å; F15-L106 HydrophobicContact CD2-CB 4.24Å; F15-L106 HydrophobicContact CE2-CB 3.53Å; F15-L106 HydrophobicContact CZ-CB 3.69Å; F15-R107 VanDerWaalsContact CE2-C 3.43Å; F15-A108 HydrophobicContact CD2-CB 3.72Å; F15-A108 HydrophobicContact CE1-CB 4.37Å; F15-A108 HydrophobicContact CE2-CB 3.36Å; F15-A108 HydrophobicContact CG-CB 4.35Å; F15-A108 HydrophobicContact CZ-CB 3.74Å |
| 16 | Q | 86.9 | Confident | 74.4 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 53% | 0.533 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | -38.5 | 168.7 | -176.3 | -179.7 | 0.6 | 0 | 0 | 110.8 | Y14 V35 | Y14-Q16 HydrophobicContact CE2-CB 4.05Å; Y14-Q16 PolarHBondContact O-N 3.43Å; Q16-V35 HydrophobicContact CB-CB 4.44Å; Q16-V35 HydrophobicContact CB-CG1 4.24Å; Q16-V35 PolarHBondContact N-O 2.82Å |
| 17 | V | 89.4 | Confident | 76.9 | Confident | 61 Ų | 61 | 73.7 Ų | 73.7 | 37% | 0.37 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 100.2 | 168.6 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | H33 C34 V35 | V17-H33 HydrophobicContact CG1-CB 3.98Å; V17-C34 WeakPolarHBondContact O-CA 3.33Å; V17-V35 HydrophobicContact CB-CB 3.82Å; V17-V35 HydrophobicContact CB-CG2 3.88Å; V17-V35 HydrophobicContact CG2-CB 3.98Å; V17-V35 HydrophobicContact CG2-CG2 4.01Å; V17-V35 PolarHBondContact N-O 3.28Å; V17-V35 PolarHBondContact O-N 3.47Å |
| 18 | P | 89.1 | Confident | 79.3 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | trans | -71.5 | 149.7 | 172.3 | 29.4 | -33.4 | 0 | 0 | 0 | 110.3 | F15 A108 | F15-P18 HydrophobicContact CB-CB 3.89Å; F15-P18 HydrophobicContact CB-CG 4.47Å; F15-P18 HydrophobicContact CG-CB 4.22Å; P18-A108 HydrophobicContact CB-CB 4.08Å | ||
| 19 | P | 90.8 | Very high | 81.8 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | trans | -60.9 | 139.7 | 173 | 29.2 | -38.6 | 0 | 0 | 0 | 111.8 | H33 W47 C94 A108 A110 | P19-H33 WeakPolarHBondContact CA-O 3.49Å; P19-H33 VanDerWaalsContact CB-O 3.25Å; P19-H33 WeakPolarHBondContact CB-O 3.39Å; P19-W47 HydrophobicContact CB-CH2 3.6Å; P19-W47 HydrophobicContact CB-CZ3 4.03Å; P19-W47 HydrophobicContact CG-CH2 4.18Å; P19-W47 HydrophobicContact CG-CZ3 4.36Å; P19-C94 HydrophobicContact CG-CB 3.99Å; P19-A108 HydrophobicContact CG-CB 3.85Å; P19-A108 WeakPolarHBondContact CG-O 3.28Å; P19-A110 HydrophobicContact CB-CB 3.78Å | ||
| 20 | S | 91 | Very high | 84.1 | Confident | 81 Ų | 81 | 66 Ų | 66 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | trans | -123.9 | 152.2 | 179.8 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | A22 A110 | S20-A22 PolarHBondContact O-N 2.85Å; S20-A110 VanDerWaalsContact C-CB 3.49Å; S20-A110 VanDerWaalsContact O-CB 3.26Å; S20-A110 WeakPolarHBondContact O-CB 3.25Å | ||
| 21 | N | 92.3 | Very high | 86.1 | Confident | 114 Ų | 114 | 64.4 Ų | 64.4 | 61% | 0.61 | 36% | 0.355 | S | S | * | . | trans | -59 | 127 | -176.5 | -62.1 | -16.3 | 0 | 0 | 0 | 110.9 | L111 | N21-L111 WeakPolarHBondContact CA-O 3.4Å; N21-L111 PolarHBondContact OD1-N 3.14Å | ||
| 22 | A | 89.3 | Confident | 87.8 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S20 V30 L32 L111 L112 N113 | S20-A22 PolarHBondContact O-N 2.85Å; A22-V30 HydrophobicContact CB-CG2 3.76Å; A22-L32 HydrophobicContact CB-CD2 3.59Å; A22-L111 PolarHBondContact N-O 2.76Å; A22-L111 VanDerWaalsContact N-O 3.1Å; A22-L112 HydrophobicContact CB-CD1 4.06Å; A22-N113 PolarHBondContact O-N 2.88Å |
| 23 | S | 89.4 | Confident | 88.9 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 54% | 0.538 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.6 | 169.1 | -60 | 0 | 0 | 0 | 0 | 109.1 | N113 | S23-N113 VanDerWaalsContact CA-O 3.26Å; S23-N113 WeakPolarHBondContact CA-O 3.33Å |
| 24 | V | 91.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 144.2 | -170.1 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | E28 V30 V84 L112 N113 V114 L115 | V24-E28 HydrophobicContact CG2-CB 3.59Å; V24-V30 HydrophobicContact CB-CB 4.03Å; V24-V30 HydrophobicContact CB-CG2 4.34Å; V24-V30 HydrophobicContact CG1-CB 4.09Å; V24-V30 HydrophobicContact CG1-CG1 4.29Å; V24-V30 HydrophobicContact CG2-CB 4.05Å; V24-V84 HydrophobicContact CG1-CB 4.13Å; V24-V84 HydrophobicContact CG1-CG1 3.72Å; V24-V84 HydrophobicContact CG1-CG2 4.08Å; V24-V84 HydrophobicContact CG2-CG2 4.31Å; V24-L112 HydrophobicContact CG1-CD1 3.8Å; V24-N113 PolarHBondContact N-O 2.95Å; V24-N113 VanDerWaalsContact N-O 3.11Å; V24-V114 HydrophobicContact CG1-CG2 4.5Å; V24-L115 WeakPolarHBondContact O-CB 3.22Å; V24-L115 WeakPolarHBondContact O-CG 3.41Å; V24-L115 PolarHBondContact O-N 3.08Å |
| 25 | V | 88.4 | Confident | 89.9 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 141.7 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | G27 E28 L115 A207 | V25-G27 PolarHBondContact O-N 3.26Å; V25-E28 HydrophobicContact CB-CG 4.02Å; V25-E28 WeakPolarHBondContact CB-OE2 3.44Å; V25-E28 PolarHBondContact N-OE2 3.49Å; V25-E28 VanDerWaalsContact N-OE2 3.09Å; V25-E28 WeakPolarHBondContact O-CB 3.06Å; V25-E28 PolarHBondContact O-N 2.9Å; V25-L115 CarbonylContact C-O 3.53Å; V25-L115 WeakPolarHBondContact CA-O 3.38Å; V25-L115 HydrophobicContact CG2-CB 4.47Å; V25-L115 HydrophobicContact CG2-CD1 4.48Å; V25-A207 HydrophobicContact CB-CB 4.31Å; V25-A207 HydrophobicContact CG1-CB 3.76Å; V25-A207 HydrophobicContact CG2-CB 3.66Å |
| 26 | E | 86.9 | Confident | 90 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 122.2 | 172.4 | 178.6 | 166.5 | -116.1 | 0 | 0 | 110.3 | V84 L86 V114 L115 V116 | E26-V84 CarbonylContact C-O 3.55Å; E26-V84 WeakPolarHBondContact CA-O 3.49Å; E26-L86 WeakPolarHBondContact OE1-CB 3.3Å; E26-L86 PolarHBondContact OE1-N 2.7Å; E26-V114 HydrophobicContact CB-CG1 4.05Å; E26-L115 PolarHBondContact N-O 2.9Å; E26-V116 HydrophobicContact CB-CG2 4.05Å |
| 27 | G | 86.2 | Confident | 89.7 | Confident | 42 Ų | 42 | 45 Ų | 45 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -15.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V25 D83 V84 | V25-G27 PolarHBondContact O-N 3.26Å; G27-D83 WeakPolarHBondContact CA-OD1 3.37Å; G27-V84 PolarHBondContact N-O 3.44Å |
| 28 | E | 90.6 | Very high | 89 | Confident | 107 Ų | 107 | 44.6 Ų | 44.6 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -82.4 | 177.1 | 174.2 | -67.3 | -179.5 | 155.6 | 0 | 0 | 111.8 | V24 V25 D83 V84 | V24-E28 HydrophobicContact CG2-CB 3.59Å; V25-E28 HydrophobicContact CB-CG 4.02Å; V25-E28 WeakPolarHBondContact CB-OE2 3.44Å; V25-E28 PolarHBondContact N-OE2 3.49Å; V25-E28 VanDerWaalsContact N-OE2 3.09Å; V25-E28 WeakPolarHBondContact O-CB 3.06Å; V25-E28 PolarHBondContact O-N 2.9Å; E28-D83 PolarHBondContact O-N 3.44Å; E28-V84 VanDerWaalsContact O-CG2 3.31Å; E28-V84 WeakPolarHBondContact O-CG2 3.31Å; E28-V84 PolarHBondContact O-N 2.87Å |
| 29 | T | 90.9 | Very high | 87.7 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | trans | -110.2 | 136.1 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | E80 I81 V82 | T29-E80 HydrophobicContact CG2-CG 3.58Å; T29-I81 VanDerWaalsContact CA-O 3.31Å; T29-I81 WeakPolarHBondContact CA-O 3.44Å; T29-I81 WeakPolarHBondContact CG2-O 3.43Å; T29-V82 HydrophobicContact CG2-CG2 4.12Å | ||
| 30 | V | 91.7 | Very high | 86 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.7 | 177.1 | 66.8 | 0 | 0 | 0 | 0 | 110.5 | A22 V24 L32 E80 I81 V84 L112 | A22-V30 HydrophobicContact CB-CG2 3.76Å; V24-V30 HydrophobicContact CB-CB 4.03Å; V24-V30 HydrophobicContact CB-CG2 4.34Å; V24-V30 HydrophobicContact CG1-CB 4.09Å; V24-V30 HydrophobicContact CG1-CG1 4.29Å; V24-V30 HydrophobicContact CG2-CB 4.05Å; V30-L32 HydrophobicContact CG2-CD2 4.41Å; V30-E80 CarbonylContact O-C 3.56Å; V30-E80 VanDerWaalsContact O-CA 3.27Å; V30-E80 WeakPolarHBondContact O-CA 3.38Å; V30-I81 HydrophobicContact CG1-CB 3.95Å; V30-I81 HydrophobicContact CG1-CD1 4.44Å; V30-I81 HydrophobicContact CG1-CG1 4.5Å; V30-I81 PolarHBondContact N-O 3.03Å; V30-I81 PolarHBondContact O-N 2.98Å; V30-V84 HydrophobicContact CB-CG2 4.34Å; V30-V84 HydrophobicContact CG1-CG2 3.71Å; V30-L112 HydrophobicContact CB-CD1 4.34Å; V30-L112 HydrophobicContact CG1-CD1 3.87Å; V30-L112 HydrophobicContact CG1-CD2 4.05Å; V30-L112 HydrophobicContact CG2-CD1 3.92Å |
| 31 | V | 92.9 | Very high | 84.2 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.8 | 171.8 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | N78 L79 E80 | V31-N78 HydrophobicContact CG1-CB 3.63Å; V31-L79 CarbonylContact C-O 3.59Å; V31-L79 WeakPolarHBondContact CA-O 3.31Å; V31-E80 HydrophobicContact CG2-CB 4.04Å; V31-E80 HydrophobicContact CG2-CG 3.98Å |
| 32 | L | 92 | Very high | 82.5 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 108.7 | 171.4 | -60.7 | 178.2 | 0 | 0 | 0 | 108.1 | A22 V30 W47 N78 L79 F92 A110 | A22-L32 HydrophobicContact CB-CD2 3.59Å; V30-L32 HydrophobicContact CG2-CD2 4.41Å; L32-W47 HydrophobicContact CB-CH2 3.51Å; L32-W47 HydrophobicContact CB-CZ2 4.2Å; L32-W47 HydrophobicContact CB-CZ3 4.09Å; L32-W47 HydrophobicContact CD1-CH2 4.47Å; L32-W47 HydrophobicContact CD1-CZ3 4.21Å; L32-W47 VanDerWaalsContact O-CZ2 3.24Å; L32-W47 WeakPolarHBondContact O-CZ2 3.28Å; L32-N78 CarbonylContact O-C 3.4Å; L32-N78 VanDerWaalsContact O-CA 3.28Å; L32-N78 WeakPolarHBondContact O-CA 3.43Å; L32-L79 HydrophobicContact CB-CB 4.39Å; L32-L79 PolarHBondContact N-O 3.07Å; L32-L79 PolarHBondContact O-N 2.79Å; L32-F92 HydrophobicContact CD1-CB 3.62Å; L32-F92 HydrophobicContact CD1-CD1 4.09Å; L32-F92 HydrophobicContact CD1-CD2 3.78Å; L32-F92 HydrophobicContact CD1-CE2 4.45Å; L32-F92 HydrophobicContact CD1-CG 3.57Å; L32-A110 HydrophobicContact CD2-CB 4.38Å |
| 33 | H | 92.5 | Very high | 81 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | trans | -71.6 | 135.7 | -175.3 | -72.1 | -76.1 | 0 | 0 | 0 | 112.5 | V17 P19 N78 | V17-H33 HydrophobicContact CG1-CB 3.98Å; P19-H33 WeakPolarHBondContact CA-O 3.49Å; P19-H33 VanDerWaalsContact CB-O 3.25Å; P19-H33 WeakPolarHBondContact CB-O 3.39Å; H33-N78 WeakPolarHBondContact CA-OD1 3.39Å; H33-N78 WeakPolarHBondContact CB-OD1 3.47Å; H33-N78 PolarHBondContact ND1-OD1 3.07Å | ||
| 34 | C | 91.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -145.5 | 110.9 | 167.6 | -176.9 | 0 | 0 | 0 | 0 | 108 | F15 V17 W47 Y77 N78 C94 | F15-C34 VanDerWaalsContact CE1-SG 3.57Å; V17-C34 WeakPolarHBondContact O-CA 3.33Å; C34-W47 HydrophobicContact CB-CH2 4.12Å; C34-W47 HydrophobicContact CB-CZ2 3.4Å; C34-W47 VanDerWaalsContact CB-CZ2 3.4Å; C34-Y77 CarbonylContact O-C 3.54Å; C34-Y77 WeakPolarHBondContact O-CA 3.37Å; C34-Y77 PolarHBondContact O-N 2.97Å; C34-N78 PolarHBondContact N-OD1 2.75Å; C34-N78 VanDerWaalsContact N-OD1 3.07Å; C34-C94 HydrophobicContact CB-CB 3.71Å; C34-C94 WeakPolarHBondContact CB-SG 3.04Å; C34-C94 WeakPolarHBondContact SG-CB 3.43Å; C34-C94 CovalentContact SG-SG 2.04Å; C34-C94 PolarHBondContact SG-SG 2.87Å | ||
| 35 | V | 90.3 | Very high | 80.2 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.085 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.1 | 179 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | F15 Q16 V17 L74 G75 E76 | F15-V35 CarbonylContact C-O 3.59Å; Q16-V35 HydrophobicContact CB-CB 4.44Å; Q16-V35 HydrophobicContact CB-CG1 4.24Å; Q16-V35 PolarHBondContact N-O 2.82Å; V17-V35 HydrophobicContact CB-CB 3.82Å; V17-V35 HydrophobicContact CB-CG2 3.88Å; V17-V35 HydrophobicContact CG2-CB 3.98Å; V17-V35 HydrophobicContact CG2-CG2 4.01Å; V17-V35 PolarHBondContact N-O 3.28Å; V17-V35 PolarHBondContact O-N 3.47Å; V35-L74 WeakPolarHBondContact CG1-O 3.46Å; V35-G75 CarbonylContact C-O 3.48Å; V35-G75 WeakPolarHBondContact CA-O 3.36Å; V35-E76 HydrophobicContact CG1-CG 4.13Å; V35-E76 HydrophobicContact CG2-CB 4.49Å; V35-E76 HydrophobicContact CG2-CG 4.08Å |
| 36 | V | 86.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.4 | -172.2 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | Y14 F15 Q39 T45 G75 Y77 V96 L106 | Y14-V36 CarbonylContact O-C 3.55Å; Y14-V36 WeakPolarHBondContact O-CA 3.29Å; F15-V36 HydrophobicContact CD1-CG2 4.21Å; F15-V36 HydrophobicContact CE1-CG2 4.24Å; V36-Q39 HydrophobicContact CG1-CB 4.13Å; V36-T45 HydrophobicContact CG2-CG2 4.3Å; V36-G75 PolarHBondContact N-O 3.15Å; V36-Y77 HydrophobicContact CG2-CD2 4.21Å; V36-Y77 HydrophobicContact CG2-CE2 4.5Å; V36-V96 HydrophobicContact CG1-CG1 4.08Å; V36-V96 HydrophobicContact CG1-CG2 4.14Å; V36-V96 HydrophobicContact CG2-CG2 3.61Å; V36-L106 HydrophobicContact CG1-CD1 4.45Å |
| 37 | G | 81.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 151.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y14 Q39 | Y14-G37 PolarHBondContact N-O 2.77Å; Y14-G37 PolarHBondContact O-N 3.49Å; G37-Q39 PolarHBondContact O-N 2.79Å; G37-Q39 VanDerWaalsContact O-N 3.17Å |
| 38 | N | 74.9 | Confident | 80.7 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 21.2 | 173.8 | -63.5 | -8.4 | 0 | 0 | 0 | 116.4 | E11 Y14 Y40 | E11-N38 HydrophobicContact CB-CB 4.29Å; E11-N38 WeakPolarHBondContact CB-ND2 3.39Å; E11-N38 PolarHBondContact OE2-ND2 3.48Å; E11-N38 PolarHBondContact OE2-OD1 2.95Å; Y14-N38 HydrophobicContact CD1-CB 4.43Å; Y14-N38 HydrophobicContact CE1-CB 4.32Å; Y14-N38 WeakPolarHBondContact CE1-ND2 3.32Å; N38-Y40 VanDerWaalsContact C-N 3.35Å; N38-Y40 PolarHBondContact O-N 3.45Å |
| 39 | Q | 61.8 | Low | 80.6 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | trans | -70.4 | 87.1 | 173.8 | -167.8 | 165.6 | 0.2 | 0 | 0 | 111.3 | V36 G37 G43 T45 Y77 | V36-Q39 HydrophobicContact CG1-CB 4.13Å; G37-Q39 PolarHBondContact O-N 2.79Å; G37-Q39 VanDerWaalsContact O-N 3.17Å; Q39-G43 PolarHBondContact NE2-O 2.94Å; Q39-T45 PolarHBondContact NE2-OG1 2.72Å; Q39-T45 VanDerWaalsContact NE2-OG1 3.1Å; Q39-T45 PolarHBondContact OE1-OG1 2.74Å; Q39-Y77 PolarHBondContact NE2-OH 2.89Å | ||
| 40 | Y | 54 | Low | 80.5 | Confident | 158 Ų | 158 | 49.7 Ų | 49.7 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | trans | -51.2 | 155.8 | 162.6 | -89.3 | -94 | 0 | 0 | 0 | 110.3 | N38 Q42 G43 | N38-Y40 VanDerWaalsContact C-N 3.35Å; N38-Y40 PolarHBondContact O-N 3.45Å; Y40-Q42 PolarHBondContact O-N 2.9Å; Y40-G43 PolarHBondContact O-N 2.84Å; Y40-G43 VanDerWaalsContact O-N 3.1Å | ||
| 41 | Q | 53.6 | Low | 80.2 | Confident | 192 Ų | 192 | 52 Ų | 52 | 90% | 0.897 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 9.1 | -169 | -66.6 | -174.6 | -18.8 | 0 | 0 | 117.6 | ||
| 42 | Q | 55.4 | Low | 79.9 | Confident | 140 Ų | 140 | 54.9 Ų | 54.9 | 65% | 0.654 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -12.7 | 179.9 | -63.6 | -173 | -4.7 | 0 | 0 | 114.8 | Y40 T99 P100 | Y40-Q42 PolarHBondContact O-N 2.9Å; Q42-T99 HydrophobicContact CB-CG2 4.42Å; Q42-P100 VanDerWaalsContact OE1-CG 3.29Å |
| 43 | G | 58.3 | Low | 79.7 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -64.5 | 136.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q39 Y40 | Q39-G43 PolarHBondContact NE2-O 2.94Å; Y40-G43 PolarHBondContact O-N 2.84Å; Y40-G43 VanDerWaalsContact O-N 3.1Å | ||
| 44 | R | 78.9 | Confident | 79.5 | Confident | 153 Ų | 153 | 54 Ų | 54 | 58% | 0.577 | 27% | 0.271 | S | S | * | . | trans | -120.7 | 123.3 | 176.7 | -87.8 | -171.3 | -69 | 171.5 | -2.1 | 110.2 | F56 L97 | R44-F56 HydrophobicContact CB-CD1 4.25Å; R44-F56 HydrophobicContact CB-CE1 4.45Å; R44-L97 HydrophobicContact CB-CB 4.41Å; R44-L97 HydrophobicContact CB-CD1 3.74Å; R44-L97 WeakPolarHBondContact O-CB 3.39Å; R44-L97 PolarHBondContact O-N 2.93Å | ||
| 45 | T | 85.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.4 | 179.1 | -48 | 0 | 0 | 0 | 0 | 109.9 | V36 Q39 Y77 C94 Q95 V96 | V36-T45 HydrophobicContact CG2-CG2 4.3Å; Q39-T45 PolarHBondContact NE2-OG1 2.72Å; Q39-T45 VanDerWaalsContact NE2-OG1 3.1Å; Q39-T45 PolarHBondContact OE1-OG1 2.74Å; T45-Y77 HydrophobicContact CG2-CD1 4.13Å; T45-Y77 HydrophobicContact CG2-CD2 3.74Å; T45-Y77 HydrophobicContact CG2-CE2 4.33Å; T45-Y77 HydrophobicContact CG2-CG 3.64Å; T45-Y77 VanDerWaalsContact OG1-CE2 3.27Å; T45-Y77 WeakPolarHBondContact OG1-CE2 3.4Å; T45-C94 VanDerWaalsContact CG2-SG 3.52Å; T45-Q95 CarbonylContact C-O 3.54Å; T45-Q95 WeakPolarHBondContact CA-O 3.48Å; T45-V96 HydrophobicContact CG2-CG2 4.04Å |
| 46 | H | 88.3 | Confident | 78.7 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 169.9 | 170.5 | 68.6 | 96.2 | 0 | 0 | 0 | 110.8 | G55 F56 Q95 | H46-G55 VanDerWaalsContact CB-O 3.32Å; H46-G55 WeakPolarHBondContact CB-O 3.44Å; H46-F56 HydrophobicContact CB-CD1 3.71Å; H46-F56 HydrophobicContact CB-CE1 3.78Å; H46-F56 HydrophobicContact CB-CG 4.24Å; H46-F56 HydrophobicContact CB-CZ 4.34Å; H46-F56 AromaticContact CD2-CE1 3.36Å; H46-F56 WeakPolarHBondContact CD2-CE1 3.27Å; H46-F56 AromaticContact CD2-CZ 3.75Å; H46-F56 AromaticContact CG-CE1 3.78Å; H46-Q95 PolarHBondContact CE1-OE1 2.78Å; H46-Q95 PolarHBondContact N-O 3.17Å; H46-Q95 PolarHBondContact NE2-OE1 2.92Å; H46-Q95 PolarHBondContact O-N 3.39Å |
| 47 | W | 91.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 153.3 | 170.1 | -73.1 | 83.8 | 0 | 0 | 0 | 111.4 | P19 L32 C34 L54 Y77 L79 F92 E93 C94 | P19-W47 HydrophobicContact CB-CH2 3.6Å; P19-W47 HydrophobicContact CB-CZ3 4.03Å; P19-W47 HydrophobicContact CG-CH2 4.18Å; P19-W47 HydrophobicContact CG-CZ3 4.36Å; L32-W47 HydrophobicContact CB-CH2 3.51Å; L32-W47 HydrophobicContact CB-CZ2 4.2Å; L32-W47 HydrophobicContact CB-CZ3 4.09Å; L32-W47 HydrophobicContact CD1-CH2 4.47Å; L32-W47 HydrophobicContact CD1-CZ3 4.21Å; L32-W47 VanDerWaalsContact O-CZ2 3.24Å; L32-W47 WeakPolarHBondContact O-CZ2 3.28Å; C34-W47 HydrophobicContact CB-CH2 4.12Å; C34-W47 HydrophobicContact CB-CZ2 3.4Å; C34-W47 VanDerWaalsContact CB-CZ2 3.4Å; W47-L54 HydrophobicContact CB-CD1 3.79Å; W47-L54 HydrophobicContact CB-CG 4.5Å; W47-L54 PolarHBondContact O-N 3.28Å; W47-Y77 PolarHBondContact NE1-O 2.9Å; W47-L79 HydrophobicContact CB-CD2 4.22Å; W47-L79 HydrophobicContact CD2-CB 3.84Å; W47-L79 HydrophobicContact CD2-CD2 4.02Å; W47-L79 HydrophobicContact CE3-CB 4.42Å; W47-L79 HydrophobicContact CE3-CD2 4.15Å; W47-L79 HydrophobicContact CG-CB 4.11Å; W47-L79 HydrophobicContact CG-CD2 4.08Å; W47-L79 HydrophobicContact CH2-CB 4.31Å; W47-L79 HydrophobicContact CZ2-CB 3.78Å; W47-F92 HydrophobicContact CE3-CB 3.93Å; W47-F92 HydrophobicContact CZ3-CB 3.83Å; W47-E93 CarbonylContact C-O 3.58Å; W47-E93 WeakPolarHBondContact CA-O 3.48Å; W47-C94 HydrophobicContact CD2-CB 3.98Å; W47-C94 HydrophobicContact CE3-CB 3.99Å; W47-C94 HydrophobicContact CH2-CB 4.07Å; W47-C94 HydrophobicContact CZ2-CB 3.98Å; W47-C94 HydrophobicContact CZ3-CB 4.03Å |
| 48 | T | 90.8 | Very high | 78.5 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 154.1 | 160.3 | 69.4 | 0 | 0 | 0 | 0 | 110 | I52 V53 F92 E93 | T48-I52 CarbonylContact C-O 3.52Å; T48-I52 WeakPolarHBondContact CA-O 3.42Å; T48-I52 WeakPolarHBondContact CB-O 3.45Å; T48-V53 HydrophobicContact CG2-CG2 4.01Å; T48-F92 VanDerWaalsContact O-CA 3.25Å; T48-F92 WeakPolarHBondContact O-CA 3.36Å; T48-E93 PolarHBondContact N-O 3.01Å; T48-E93 PolarHBondContact O-N 3.17Å; T48-E93 VanDerWaalsContact O-N 3.07Å; T48-E93 WeakPolarHBondContact OG1-CB 3.47Å |
| 49 | K | 90.1 | Very high | 78.8 | Confident | 30 Ų | 30 | 70 Ų | 70 | 13% | 0.13 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.4 | 165 | -180 | -172 | -173.4 | -65.7 | 0 | 108.4 | G51 I52 L54 Y66 E87 D88 E91 F92 | K49-G51 PolarHBondContact O-N 2.96Å; K49-G51 VanDerWaalsContact O-N 3.13Å; K49-I52 PolarHBondContact N-O 3.35Å; K49-I52 WeakPolarHBondContact O-CB 3.47Å; K49-I52 PolarHBondContact O-N 3.49Å; K49-L54 HydrophobicContact CB-CD1 4.34Å; K49-L54 HydrophobicContact CB-CD2 3.92Å; K49-L54 HydrophobicContact CB-CG 4.33Å; K49-Y66 HydrophobicContact CD-CE1 4.11Å; K49-Y66 WeakPolarHBondContact CD-OH 3.45Å; K49-Y66 VanDerWaalsContact CE-OH 3.31Å; K49-Y66 WeakPolarHBondContact CE-OH 3.34Å; K49-E87 PolarHBondContact NZ-O 2.88Å; K49-E87 VanDerWaalsContact NZ-O 3.11Å; K49-D88 WeakPolarHBondContact CE-O 3.45Å; K49-E91 CarbonylContact C-O 3.57Å; K49-F92 HydrophobicContact CB-CD1 4.02Å; K49-F92 HydrophobicContact CB-CE1 3.74Å; K49-F92 HydrophobicContact CB-CZ 4.19Å; K49-F92 HydrophobicContact CD-CE1 4.02Å; K49-F92 HydrophobicContact CD-CE2 4.44Å; K49-F92 HydrophobicContact CD-CZ 3.71Å; K49-F92 HydrophobicContact CG-CD1 4.3Å; K49-F92 HydrophobicContact CG-CE1 3.78Å; K49-F92 HydrophobicContact CG-CE2 4.12Å; K49-F92 HydrophobicContact CG-CZ 3.68Å |
| 50 | D | 87.5 | Confident | 79.9 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 35.9 | -177.9 | -53.5 | -54.7 | 0 | 0 | 0 | 112.1 | G90 E91 | D50-G90 WeakPolarHBondContact OD1-CA 3.12Å; D50-E91 PolarHBondContact N-O 3.29Å; D50-E91 PolarHBondContact OD1-N 2.98Å |
| 51 | G | 85.5 | Confident | 81.2 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -6.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K49 | K49-G51 PolarHBondContact O-N 2.96Å; K49-G51 VanDerWaalsContact O-N 3.13Å |
| 52 | I | 87.6 | Confident | 82.5 | Confident | 109 Ų | 109 | 60.9 Ų | 60.9 | 56% | 0.559 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.5 | 179.3 | -56 | 176.5 | 0 | 0 | 0 | 110 | T48 K49 L54 | T48-I52 CarbonylContact C-O 3.52Å; T48-I52 WeakPolarHBondContact CA-O 3.42Å; T48-I52 WeakPolarHBondContact CB-O 3.45Å; K49-I52 PolarHBondContact N-O 3.35Å; K49-I52 WeakPolarHBondContact O-CB 3.47Å; K49-I52 PolarHBondContact O-N 3.49Å; I52-L54 PolarHBondContact O-N 2.89Å |
| 53 | V | 88 | Confident | 83.8 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 125.5 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | T48 | T48-V53 HydrophobicContact CG2-CG2 4.01Å |
| 54 | L | 87 | Confident | 85.1 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -30.3 | -179.6 | -63.2 | 175.3 | 0 | 0 | 0 | 113 | W47 K49 I52 L60 Y63 Y66 L79 F92 | W47-L54 HydrophobicContact CB-CD1 3.79Å; W47-L54 HydrophobicContact CB-CG 4.5Å; W47-L54 PolarHBondContact O-N 3.28Å; K49-L54 HydrophobicContact CB-CD1 4.34Å; K49-L54 HydrophobicContact CB-CD2 3.92Å; K49-L54 HydrophobicContact CB-CG 4.33Å; I52-L54 PolarHBondContact O-N 2.89Å; L54-L60 HydrophobicContact CB-CD1 4.18Å; L54-L60 HydrophobicContact CB-CD2 4.2Å; L54-Y63 HydrophobicContact CB-CE2 4.35Å; L54-Y63 HydrophobicContact CD2-CD1 4.03Å; L54-Y63 HydrophobicContact CD2-CD2 4.27Å; L54-Y63 HydrophobicContact CD2-CE1 3.55Å; L54-Y63 HydrophobicContact CD2-CE2 3.82Å; L54-Y63 HydrophobicContact CD2-CG 4.38Å; L54-Y63 VanDerWaalsContact CD2-CZ 3.43Å; L54-Y63 WeakPolarHBondContact O-CE2 3.47Å; L54-Y66 HydrophobicContact CD1-CD1 3.9Å; L54-Y66 HydrophobicContact CD1-CE1 4.19Å; L54-Y66 HydrophobicContact CD2-CD1 4.18Å; L54-Y66 HydrophobicContact CD2-CE1 4.17Å; L54-L79 HydrophobicContact CD1-CD1 4.42Å; L54-L79 HydrophobicContact CD1-CD2 3.76Å; L54-F92 HydrophobicContact CD1-CD1 4.32Å; L54-F92 HydrophobicContact CD1-CE1 4.19Å |
| 55 | G | 84.5 | Confident | 85.7 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.3 | 165.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H46 | H46-G55 VanDerWaalsContact CB-O 3.32Å; H46-G55 WeakPolarHBondContact CB-O 3.44Å |
| 56 | F | 80.6 | Confident | 86 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -101.2 | -21.9 | 177.8 | -64.6 | -89.4 | 0 | 0 | 0 | 113 | R44 H46 L97 | R44-F56 HydrophobicContact CB-CD1 4.25Å; R44-F56 HydrophobicContact CB-CE1 4.45Å; H46-F56 HydrophobicContact CB-CD1 3.71Å; H46-F56 HydrophobicContact CB-CE1 3.78Å; H46-F56 HydrophobicContact CB-CG 4.24Å; H46-F56 HydrophobicContact CB-CZ 4.34Å; H46-F56 AromaticContact CD2-CE1 3.36Å; H46-F56 WeakPolarHBondContact CD2-CE1 3.27Å; H46-F56 AromaticContact CD2-CZ 3.75Å; H46-F56 AromaticContact CG-CE1 3.78Å; F56-L97 HydrophobicContact CE1-CD1 3.64Å; F56-L97 HydrophobicContact CZ-CD1 4.2Å |
| 57 | D | 81.6 | Confident | 86.1 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 60% | 0.599 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -74.9 | 148.4 | -179.8 | -63.4 | -54.3 | 0 | 0 | 0 | 111 | N59 L60 | D57-N59 PolarHBondContact O-N 3.05Å; D57-N59 VanDerWaalsContact O-N 3.16Å; D57-L60 WeakPolarHBondContact O-CD2 3.4Å |
| 58 | Y | 82.4 | Confident | 86 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 27% | 0.271 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -62.1 | -25 | 176.4 | -84.3 | -107.5 | 0 | 0 | 0 | 112.7 | I68 G70 H72 E76 Y77 | Y58-I68 HydrophobicContact CD1-CB 3.99Å; Y58-I68 HydrophobicContact CD1-CG2 4.03Å; Y58-I68 WeakPolarHBondContact CD1-O 3.17Å; Y58-I68 HydrophobicContact CE1-CB 4.41Å; Y58-I68 HydrophobicContact CE1-CG2 3.93Å; Y58-I68 HydrophobicContact CG-CB 4.28Å; Y58-I68 PolarHBondContact O-N 2.88Å; Y58-G70 WeakPolarHBondContact CE1-O 3.31Å; Y58-H72 HydrophobicContact CE2-CB 4.29Å; Y58-H72 WeakPolarHBondContact OH-CA 3.35Å; Y58-H72 PolarHBondContact OH-N 3.03Å; Y58-H72 VanDerWaalsContact OH-N 3.11Å; Y58-E76 PolarHBondContact OH-O 2.97Å; Y58-Y77 HydrophobicContact CE2-CD1 4.18Å; Y58-Y77 AromaticContact CE2-CE1 3.94Å; Y58-Y77 HydrophobicContact CE2-CE1 3.94Å; Y58-Y77 AromaticContact CZ-CD1 3.95Å; Y58-Y77 AromaticContact CZ-CE1 3.97Å; Y58-Y77 WeakPolarHBondContact OH-CE1 3.35Å |
| 59 | N | 82.3 | Confident | 85.8 | Confident | 127 Ų | 127 | 70 Ų | 70 | 68% | 0.679 | 39% | 0.389 | S | S | * | . | B | Isolated β-bridge | trans | -106.1 | 102.6 | 173.4 | -151.5 | 20 | 0 | 0 | 0 | 109.1 | D57 S61 | D57-N59 PolarHBondContact O-N 3.05Å; D57-N59 VanDerWaalsContact O-N 3.16Å; N59-S61 PolarHBondContact O-N 3.35Å |
| 60 | L | 85.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | trans | -77.5 | 97 | -167.9 | -65.9 | 169.1 | 0 | 0 | 0 | 111 | L54 D57 G62 Y63 I68 L79 | L54-L60 HydrophobicContact CB-CD1 4.18Å; L54-L60 HydrophobicContact CB-CD2 4.2Å; D57-L60 WeakPolarHBondContact O-CD2 3.4Å; L60-G62 PolarHBondContact O-N 2.69Å; L60-Y63 HydrophobicContact CB-CD2 4.35Å; L60-Y63 PolarHBondContact O-N 2.67Å; L60-I68 HydrophobicContact CD1-CG1 4.12Å; L60-I68 HydrophobicContact CD2-CD1 4.21Å; L60-I68 HydrophobicContact CD2-CG1 4.26Å; L60-I68 HydrophobicContact CG-CG1 4.24Å; L60-L79 HydrophobicContact CD1-CD1 3.54Å | ||
| 61 | S | 79.5 | Confident | 85.4 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 122.4 | -177.2 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | N59 | N59-S61 PolarHBondContact O-N 3.35Š|
| 62 | G | 81.7 | Confident | 85 | Confident | 79 Ų | 79 | 70.8 Ų | 70.8 | 81% | 0.814 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | -9.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | L60 | L60-G62 PolarHBondContact O-N 2.69Š|
| 63 | Y | 83.6 | Confident | 84.6 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 30% | 0.302 | 40% | 0.399 | S | S | . | . | trans | -120.7 | 77.9 | 179.2 | -60.2 | -88.4 | 0 | 0 | 0 | 110.9 | L54 L60 R65 Y66 | L54-Y63 HydrophobicContact CB-CE2 4.35Å; L54-Y63 HydrophobicContact CD2-CD1 4.03Å; L54-Y63 HydrophobicContact CD2-CD2 4.27Å; L54-Y63 HydrophobicContact CD2-CE1 3.55Å; L54-Y63 HydrophobicContact CD2-CE2 3.82Å; L54-Y63 HydrophobicContact CD2-CG 4.38Å; L54-Y63 VanDerWaalsContact CD2-CZ 3.43Å; L54-Y63 WeakPolarHBondContact O-CE2 3.47Å; L60-Y63 HydrophobicContact CB-CD2 4.35Å; L60-Y63 PolarHBondContact O-N 2.67Å; Y63-R65 PolarHBondContact O-N 2.74Å; Y63-Y66 HydrophobicContact CD1-CD1 4.27Å; Y63-Y66 HydrophobicContact CD1-CE1 4.43Å; Y63-Y66 HydrophobicContact CG-CD1 4.49Å; Y63-Y66 PolarHBondContact O-N 3.38Å; Y63-Y66 VanDerWaalsContact O-O 3.11Å | ||
| 64 | E | 85.6 | Confident | 84.3 | Confident | 203 Ų | 203 | 72 Ų | 72 | 95% | 0.949 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30 | -174.2 | -61.7 | -175 | 170.2 | 0 | 0 | 114.8 | ||
| 65 | R | 90.9 | Very high | 84.2 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 19% | 0.192 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -12.7 | -178.9 | -65.9 | -169.1 | -61.1 | 97.4 | 0.7 | 113.5 | Y63 I81 V82 D83 E87 D88 | Y63-R65 PolarHBondContact O-N 2.74Å; R65-I81 CarbonylContact O-C 3.57Å; R65-I81 WeakPolarHBondContact O-CA 3.48Å; R65-V82 WeakPolarHBondContact CB-O 3.38Å; R65-V82 WeakPolarHBondContact CD-O 3.19Å; R65-V82 PolarHBondContact NH1-O 3.33Å; R65-V82 PolarHBondContact O-N 3.23Å; R65-D83 PolarHBondContact NH1-O 2.8Å; R65-E87 IonicContact CZ-OE1 2.71Å; R65-E87 IonicContact NH2-OE1 2.71Å; R65-E87 PolarHBondContact NH2-OE1 3.1Å; R65-D88 IonicContact CZ-OD1 3.48Å; R65-D88 IonicContact CZ-OD2 3.57Å; R65-D88 IonicContact NH1-OD1 2.73Å; R65-D88 IonicContact NH1-OD2 3.12Å; R65-D88 PolarHBondContact NH1-OD2 3.19Å; R65-D88 VanDerWaalsContact NH2-CG 3.34Å; R65-D88 IonicContact NH2-OD1 3.89Å; R65-D88 PolarHBondContact NH2-OD1 2.82Å; R65-D88 IonicContact NH2-OD2 2.97Å; R65-D88 PolarHBondContact NH2-OD2 3.43Å; R65-D88 VanDerWaalsContact NH2-OD2 3.15Å |
| 66 | Y | 92.2 | Very high | 84.4 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 5% | 0.051 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.2 | -170.5 | -65.6 | -152.5 | 0 | 0 | 0 | 110 | K49 L54 Y63 L79 E80 I81 D88 F92 | K49-Y66 HydrophobicContact CD-CE1 4.11Å; K49-Y66 WeakPolarHBondContact CD-OH 3.45Å; K49-Y66 VanDerWaalsContact CE-OH 3.31Å; K49-Y66 WeakPolarHBondContact CE-OH 3.34Å; L54-Y66 HydrophobicContact CD1-CD1 3.9Å; L54-Y66 HydrophobicContact CD1-CE1 4.19Å; L54-Y66 HydrophobicContact CD2-CD1 4.18Å; L54-Y66 HydrophobicContact CD2-CE1 4.17Å; Y63-Y66 HydrophobicContact CD1-CD1 4.27Å; Y63-Y66 HydrophobicContact CD1-CE1 4.43Å; Y63-Y66 HydrophobicContact CG-CD1 4.49Å; Y63-Y66 PolarHBondContact O-N 3.38Å; Y63-Y66 VanDerWaalsContact O-O 3.11Å; Y66-L79 HydrophobicContact CD1-CD1 4.43Å; Y66-E80 CarbonylContact C-O 3.53Å; Y66-E80 WeakPolarHBondContact CA-O 3.36Å; Y66-I81 HydrophobicContact CD1-CD1 4.28Å; Y66-I81 HydrophobicContact CD1-CG1 4.14Å; Y66-I81 HydrophobicContact CD2-CB 4.28Å; Y66-I81 HydrophobicContact CD2-CD1 4.42Å; Y66-I81 HydrophobicContact CD2-CG1 3.89Å; Y66-I81 HydrophobicContact CD2-CG2 3.69Å; Y66-I81 HydrophobicContact CE1-CD1 3.94Å; Y66-I81 HydrophobicContact CE1-CG1 4.27Å; Y66-I81 HydrophobicContact CE2-CB 4.37Å; Y66-I81 HydrophobicContact CE2-CD1 4.07Å; Y66-I81 HydrophobicContact CE2-CG1 4.01Å; Y66-I81 HydrophobicContact CE2-CG2 3.52Å; Y66-I81 HydrophobicContact CG-CG1 3.94Å; Y66-D88 VanDerWaalsContact CE2-OD1 3.28Å; Y66-D88 WeakPolarHBondContact CE2-OD1 3.36Å; Y66-D88 PolarHBondContact OH-OD1 3.2Å; Y66-F92 HydrophobicContact CD1-CE1 4.44Å; Y66-F92 AromaticContact CE1-CE1 3.7Å; Y66-F92 HydrophobicContact CE1-CE1 3.7Å; Y66-F92 AromaticContact CE1-CZ 3.98Å; Y66-F92 HydrophobicContact CE1-CZ 3.98Å |
| 67 | R | 90.6 | Very high | 84.9 | Confident | 105 Ų | 105 | 69.9 Ų | 69.9 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 151 | 171.1 | 55.4 | 175.7 | 163.7 | -112.7 | -2.2 | 111 | E80 | R67-E80 HydrophobicContact CG-CB 4.21Å; R67-E80 IonicContact CZ-OE2 3.24Å; R67-E80 PolarHBondContact N-O 2.98Å; R67-E80 IonicContact NE-OE2 3.93Å; R67-E80 PolarHBondContact NE-OE2 2.89Å; R67-E80 IonicContact NH2-OE2 3.44Å; R67-E80 PolarHBondContact NH2-OE2 2.9Å; R67-E80 PolarHBondContact O-N 2.9Å |
| 68 | I | 88.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.9 | 167.7 | -47.1 | -178.7 | 0 | 0 | 0 | 107.4 | Y58 L60 Y77 N78 | Y58-I68 HydrophobicContact CD1-CB 3.99Å; Y58-I68 HydrophobicContact CD1-CG2 4.03Å; Y58-I68 WeakPolarHBondContact CD1-O 3.17Å; Y58-I68 HydrophobicContact CE1-CB 4.41Å; Y58-I68 HydrophobicContact CE1-CG2 3.93Å; Y58-I68 HydrophobicContact CG-CB 4.28Å; Y58-I68 PolarHBondContact O-N 2.88Å; L60-I68 HydrophobicContact CD1-CG1 4.12Å; L60-I68 HydrophobicContact CD2-CD1 4.21Å; L60-I68 HydrophobicContact CD2-CG1 4.26Å; L60-I68 HydrophobicContact CG-CG1 4.24Å; I68-Y77 HydrophobicContact CG2-CD1 4.27Å; I68-N78 CarbonylContact C-O 3.53Å; I68-N78 WeakPolarHBondContact CA-O 3.47Å |
| 69 | V | 86.7 | Confident | 85.9 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 30% | 0.303 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.5 | -179.4 | -114 | 0 | 0 | 0 | 0 | 111.1 | N78 E80 | V69-N78 PolarHBondContact N-O 2.8Å; V69-N78 VanDerWaalsContact O-CB 3.3Å; V69-N78 WeakPolarHBondContact O-CB 3.19Å; V69-N78 PolarHBondContact O-N 3.38Å; V69-N78 PolarHBondContact O-ND2 2.89Å; V69-E80 HydrophobicContact CG2-CB 3.29Å; V69-E80 HydrophobicContact CG2-CG 4.36Å |
| 70 | G | 86.2 | Confident | 86.4 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 113.3 | -174.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y58 E76 | Y58-G70 WeakPolarHBondContact CE1-O 3.31Å; G70-E76 WeakPolarHBondContact CA-OE2 3.47Å |
| 71 | T | 82.9 | Confident | 86.7 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | trans | -121 | 131 | 179.8 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | A73 L74 G75 E76 | T71-A73 PolarHBondContact O-N 3.18Å; T71-A73 VanDerWaalsContact O-N 3.13Å; T71-L74 PolarHBondContact O-N 2.77Å; T71-L74 WeakPolarHBondContact OG1-CD1 3.37Å; T71-L74 WeakPolarHBondContact OG1-CG 3.28Å; T71-G75 PolarHBondContact O-N 2.98Å; T71-E76 PolarHBondContact N-OE2 2.85Å; T71-E76 PolarHBondContact O-N 2.86Å; T71-E76 VanDerWaalsContact O-N 3.13Å; T71-E76 PolarHBondContact OG1-OE2 3.5Å | ||
| 72 | H | 77.4 | Confident | 87.2 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -56 | -30.7 | 175.2 | -177.4 | -49.8 | 0 | 0 | 0 | 112 | Y58 L74 G75 Y77 | Y58-H72 HydrophobicContact CE2-CB 4.29Å; Y58-H72 WeakPolarHBondContact OH-CA 3.35Å; Y58-H72 PolarHBondContact OH-N 3.03Å; Y58-H72 VanDerWaalsContact OH-N 3.11Å; H72-L74 PolarHBondContact O-N 2.77Å; H72-G75 PolarHBondContact O-N 2.82Å; H72-G75 VanDerWaalsContact O-N 3.07Å; H72-Y77 PolarHBondContact CD2-OH 2.92Å; H72-Y77 PolarHBondContact NE2-OH 2.75Å |
| 73 | A | 79.6 | Confident | 87.6 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 81% | 0.81 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -63.7 | -22.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T71 | T71-A73 PolarHBondContact O-N 3.18Å; T71-A73 VanDerWaalsContact O-N 3.13Å |
| 74 | L | 82.6 | Confident | 87.9 | Confident | 108 Ų | 108 | 50.1 Ų | 50.1 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -105.6 | 7 | 174.8 | -61.6 | -179.8 | 0 | 0 | 0 | 112.3 | V35 T71 H72 E76 | V35-L74 WeakPolarHBondContact CG1-O 3.46Å; T71-L74 PolarHBondContact O-N 2.77Å; T71-L74 WeakPolarHBondContact OG1-CD1 3.37Å; T71-L74 WeakPolarHBondContact OG1-CG 3.28Å; H72-L74 PolarHBondContact O-N 2.77Å; L74-E76 HydrophobicContact CB-CG 3.81Å; L74-E76 PolarHBondContact O-N 2.93Å |
| 75 | G | 84.2 | Confident | 88.1 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 17.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V35 V36 T71 H72 Y77 | V35-G75 CarbonylContact C-O 3.48Å; V35-G75 WeakPolarHBondContact CA-O 3.36Å; V36-G75 PolarHBondContact N-O 3.15Å; T71-G75 PolarHBondContact O-N 2.98Å; H72-G75 PolarHBondContact O-N 2.82Å; H72-G75 VanDerWaalsContact O-N 3.07Å; G75-Y77 WeakPolarHBondContact O-CD2 3.24Å; G75-Y77 WeakPolarHBondContact O-CE2 3.16Å |
| 76 | E | 89.2 | Confident | 87.8 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -87.9 | 118.1 | -174.3 | -60.8 | 171.2 | 136.2 | 0 | 0 | 112 | V35 Y58 G70 T71 L74 | V35-E76 HydrophobicContact CG1-CG 4.13Å; V35-E76 HydrophobicContact CG2-CB 4.49Å; V35-E76 HydrophobicContact CG2-CG 4.08Å; Y58-E76 PolarHBondContact OH-O 2.97Å; G70-E76 WeakPolarHBondContact CA-OE2 3.47Å; T71-E76 PolarHBondContact N-OE2 2.85Å; T71-E76 PolarHBondContact O-N 2.86Å; T71-E76 VanDerWaalsContact O-N 3.13Å; T71-E76 PolarHBondContact OG1-OE2 3.5Å; L74-E76 HydrophobicContact CB-CG 3.81Å; L74-E76 PolarHBondContact O-N 2.93Å |
| 77 | Y | 89.5 | Confident | 87.5 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | trans | -127.1 | 51 | 176.1 | -58.8 | -91.4 | 0 | 0 | 0 | 110.4 | C34 V36 Q39 T45 W47 Y58 I68 H72 G75 L79 | C34-Y77 CarbonylContact O-C 3.54Å; C34-Y77 WeakPolarHBondContact O-CA 3.37Å; C34-Y77 PolarHBondContact O-N 2.97Å; V36-Y77 HydrophobicContact CG2-CD2 4.21Å; V36-Y77 HydrophobicContact CG2-CE2 4.5Å; Q39-Y77 PolarHBondContact NE2-OH 2.89Å; T45-Y77 HydrophobicContact CG2-CD1 4.13Å; T45-Y77 HydrophobicContact CG2-CD2 3.74Å; T45-Y77 HydrophobicContact CG2-CE2 4.33Å; T45-Y77 HydrophobicContact CG2-CG 3.64Å; T45-Y77 VanDerWaalsContact OG1-CE2 3.27Å; T45-Y77 WeakPolarHBondContact OG1-CE2 3.4Å; W47-Y77 PolarHBondContact NE1-O 2.9Å; Y58-Y77 HydrophobicContact CE2-CD1 4.18Å; Y58-Y77 AromaticContact CE2-CE1 3.94Å; Y58-Y77 HydrophobicContact CE2-CE1 3.94Å; Y58-Y77 AromaticContact CZ-CD1 3.95Å; Y58-Y77 AromaticContact CZ-CE1 3.97Å; Y58-Y77 WeakPolarHBondContact OH-CE1 3.35Å; I68-Y77 HydrophobicContact CG2-CD1 4.27Å; H72-Y77 PolarHBondContact CD2-OH 2.92Å; H72-Y77 PolarHBondContact NE2-OH 2.75Å; G75-Y77 WeakPolarHBondContact O-CD2 3.24Å; G75-Y77 WeakPolarHBondContact O-CE2 3.16Å; Y77-L79 PolarHBondContact O-N 2.86Å | ||
| 78 | N | 92.4 | Very high | 87.4 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126 | -177.6 | -45.3 | -71.8 | 0 | 0 | 0 | 109.8 | V31 L32 H33 C34 I68 V69 E80 | V31-N78 HydrophobicContact CG1-CB 3.63Å; L32-N78 CarbonylContact O-C 3.4Å; L32-N78 VanDerWaalsContact O-CA 3.28Å; L32-N78 WeakPolarHBondContact O-CA 3.43Å; H33-N78 WeakPolarHBondContact CA-OD1 3.39Å; H33-N78 WeakPolarHBondContact CB-OD1 3.47Å; H33-N78 PolarHBondContact ND1-OD1 3.07Å; C34-N78 PolarHBondContact N-OD1 2.75Å; C34-N78 VanDerWaalsContact N-OD1 3.07Å; I68-N78 CarbonylContact C-O 3.53Å; I68-N78 WeakPolarHBondContact CA-O 3.47Å; V69-N78 PolarHBondContact N-O 2.8Å; V69-N78 VanDerWaalsContact O-CB 3.3Å; V69-N78 WeakPolarHBondContact O-CB 3.19Å; V69-N78 PolarHBondContact O-N 3.38Å; V69-N78 PolarHBondContact O-ND2 2.89Å; N78-E80 PolarHBondContact O-N 2.05Å |
| 79 | L | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 110 | 178.6 | 178.8 | 65.4 | 0 | 0 | 0 | 110.3 | V31 L32 W47 L54 L60 Y66 Y77 I81 F92 | V31-L79 CarbonylContact C-O 3.59Å; V31-L79 WeakPolarHBondContact CA-O 3.31Å; L32-L79 HydrophobicContact CB-CB 4.39Å; L32-L79 PolarHBondContact N-O 3.07Å; L32-L79 PolarHBondContact O-N 2.79Å; W47-L79 HydrophobicContact CB-CD2 4.22Å; W47-L79 HydrophobicContact CD2-CB 3.84Å; W47-L79 HydrophobicContact CD2-CD2 4.02Å; W47-L79 HydrophobicContact CE3-CB 4.42Å; W47-L79 HydrophobicContact CE3-CD2 4.15Å; W47-L79 HydrophobicContact CG-CB 4.11Å; W47-L79 HydrophobicContact CG-CD2 4.08Å; W47-L79 HydrophobicContact CH2-CB 4.31Å; W47-L79 HydrophobicContact CZ2-CB 3.78Å; L54-L79 HydrophobicContact CD1-CD1 4.42Å; L54-L79 HydrophobicContact CD1-CD2 3.76Å; L60-L79 HydrophobicContact CD1-CD1 3.54Å; Y66-L79 HydrophobicContact CD1-CD1 4.43Å; Y77-L79 PolarHBondContact O-N 2.86Å; L79-I81 HydrophobicContact CD2-CD1 4.43Å; L79-I81 HydrophobicContact CG-CG1 4.3Å; L79-F92 HydrophobicContact CD2-CD1 3.4Å; L79-F92 VanDerWaalsContact CD2-CD1 3.4Å; L79-F92 HydrophobicContact CD2-CE1 3.56Å; L79-F92 HydrophobicContact CD2-CG 4.45Å |
| 80 | E | 93 | Very high | 87.4 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.6 | 170.2 | -178.2 | 175.1 | -94.1 | 0 | 0 | 111 | T29 V30 V31 Y66 R67 V69 N78 V82 | T29-E80 HydrophobicContact CG2-CG 3.58Å; V30-E80 CarbonylContact O-C 3.56Å; V30-E80 VanDerWaalsContact O-CA 3.27Å; V30-E80 WeakPolarHBondContact O-CA 3.38Å; V31-E80 HydrophobicContact CG2-CB 4.04Å; V31-E80 HydrophobicContact CG2-CG 3.98Å; Y66-E80 CarbonylContact C-O 3.53Å; Y66-E80 WeakPolarHBondContact CA-O 3.36Å; R67-E80 HydrophobicContact CG-CB 4.21Å; R67-E80 IonicContact CZ-OE2 3.24Å; R67-E80 PolarHBondContact N-O 2.98Å; R67-E80 IonicContact NE-OE2 3.93Å; R67-E80 PolarHBondContact NE-OE2 2.89Å; R67-E80 IonicContact NH2-OE2 3.44Å; R67-E80 PolarHBondContact NH2-OE2 2.9Å; R67-E80 PolarHBondContact O-N 2.9Å; V69-E80 HydrophobicContact CG2-CB 3.29Å; V69-E80 HydrophobicContact CG2-CG 4.36Å; N78-E80 PolarHBondContact O-N 2.05Å; E80-V82 HydrophobicContact CG-CG2 4.22Å |
| 81 | I | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 115.9 | 172.7 | -55.5 | 170 | 0 | 0 | 0 | 107.7 | T29 V30 R65 Y66 L79 V84 F92 L112 | T29-I81 VanDerWaalsContact CA-O 3.31Å; T29-I81 WeakPolarHBondContact CA-O 3.44Å; T29-I81 WeakPolarHBondContact CG2-O 3.43Å; V30-I81 HydrophobicContact CG1-CB 3.95Å; V30-I81 HydrophobicContact CG1-CD1 4.44Å; V30-I81 HydrophobicContact CG1-CG1 4.5Å; V30-I81 PolarHBondContact N-O 3.03Å; V30-I81 PolarHBondContact O-N 2.98Å; R65-I81 CarbonylContact O-C 3.57Å; R65-I81 WeakPolarHBondContact O-CA 3.48Å; Y66-I81 HydrophobicContact CD1-CD1 4.28Å; Y66-I81 HydrophobicContact CD1-CG1 4.14Å; Y66-I81 HydrophobicContact CD2-CB 4.28Å; Y66-I81 HydrophobicContact CD2-CD1 4.42Å; Y66-I81 HydrophobicContact CD2-CG1 3.89Å; Y66-I81 HydrophobicContact CD2-CG2 3.69Å; Y66-I81 HydrophobicContact CE1-CD1 3.94Å; Y66-I81 HydrophobicContact CE1-CG1 4.27Å; Y66-I81 HydrophobicContact CE2-CB 4.37Å; Y66-I81 HydrophobicContact CE2-CD1 4.07Å; Y66-I81 HydrophobicContact CE2-CG1 4.01Å; Y66-I81 HydrophobicContact CE2-CG2 3.52Å; Y66-I81 HydrophobicContact CG-CG1 3.94Å; L79-I81 HydrophobicContact CD2-CD1 4.43Å; L79-I81 HydrophobicContact CG-CG1 4.3Å; I81-V84 HydrophobicContact CB-CG2 4.12Å; I81-V84 HydrophobicContact CG2-CG2 3.84Å; I81-V84 WeakPolarHBondContact O-CG2 3.07Å; I81-F92 HydrophobicContact CD1-CE1 3.77Å; I81-F92 HydrophobicContact CD1-CE2 4.27Å; I81-F92 HydrophobicContact CD1-CZ 3.48Å; I81-F92 VanDerWaalsContact CD1-CZ 3.48Å; I81-L112 HydrophobicContact CD1-CD2 3.83Å |
| 82 | V | 89.3 | Confident | 88.2 | Confident | 45 Ų | 45 | 40.7 Ų | 40.7 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -92 | 143.8 | -179.6 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | T29 R65 E80 V84 | T29-V82 HydrophobicContact CG2-CG2 4.12Å; R65-V82 WeakPolarHBondContact CB-O 3.38Å; R65-V82 WeakPolarHBondContact CD-O 3.19Å; R65-V82 PolarHBondContact NH1-O 3.33Å; R65-V82 PolarHBondContact O-N 3.23Å; E80-V82 HydrophobicContact CG-CG2 4.22Å; V82-V84 PolarHBondContact O-N 2.84Å |
| 83 | D | 89.6 | Confident | 89 | Confident | 65 Ų | 65 | 38.1 Ų | 38.1 | 35% | 0.348 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 50.4 | 58.8 | 179.9 | -176.6 | 26.2 | 0 | 0 | 0 | 111.5 | G27 E28 R65 K85 | G27-D83 WeakPolarHBondContact CA-OD1 3.37Å; E28-D83 PolarHBondContact O-N 3.44Å; R65-D83 PolarHBondContact NH1-O 2.8Å; D83-K85 PolarHBondContact O-N 2.65Å; D83-K85 IonicContact OD1-NZ 3.24Å; D83-K85 PolarHBondContact OD1-NZ 2.69Å; D83-K85 WeakPolarHBondContact OD2-CE 3.04Å; D83-K85 IonicContact OD2-NZ 2.79Å; D83-K85 PolarHBondContact OD2-NZ 2.82Å |
| 84 | V | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -59.4 | 131.7 | -173 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | V24 E26 G27 E28 V30 I81 V82 D88 V114 | V24-V84 HydrophobicContact CG1-CB 4.13Å; V24-V84 HydrophobicContact CG1-CG1 3.72Å; V24-V84 HydrophobicContact CG1-CG2 4.08Å; V24-V84 HydrophobicContact CG2-CG2 4.31Å; E26-V84 CarbonylContact C-O 3.55Å; E26-V84 WeakPolarHBondContact CA-O 3.49Å; G27-V84 PolarHBondContact N-O 3.44Å; E28-V84 VanDerWaalsContact O-CG2 3.31Å; E28-V84 WeakPolarHBondContact O-CG2 3.31Å; E28-V84 PolarHBondContact O-N 2.87Å; V30-V84 HydrophobicContact CB-CG2 4.34Å; V30-V84 HydrophobicContact CG1-CG2 3.71Å; I81-V84 HydrophobicContact CB-CG2 4.12Å; I81-V84 HydrophobicContact CG2-CG2 3.84Å; I81-V84 WeakPolarHBondContact O-CG2 3.07Å; V82-V84 PolarHBondContact O-N 2.84Å; V84-D88 WeakPolarHBondContact CA-OD2 3.32Å; V84-D88 HydrophobicContact CG1-CB 4.08Å; V84-V114 HydrophobicContact CG1-CB 4.34Å; V84-V114 HydrophobicContact CG1-CG1 3.96Å; V84-V114 HydrophobicContact CG1-CG2 3.44Å; V84-V114 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 85 | K | 89.1 | Confident | 89.9 | Confident | 69 Ų | 69 | 30.8 Ų | 30.8 | 30% | 0.3 | 15% | 0.152 | S | C | . | . | trans | -113.2 | 158.5 | 179.8 | -57.3 | -54 | -178.3 | -164 | 0 | 111.2 | D83 E87 D88 | D83-K85 PolarHBondContact O-N 2.65Å; D83-K85 IonicContact OD1-NZ 3.24Å; D83-K85 PolarHBondContact OD1-NZ 2.69Å; D83-K85 WeakPolarHBondContact OD2-CE 3.04Å; D83-K85 IonicContact OD2-NZ 2.79Å; D83-K85 PolarHBondContact OD2-NZ 2.82Å; K85-E87 HydrophobicContact CB-CG 3.64Å; K85-E87 PolarHBondContact O-N 3.09Å; K85-D88 PolarHBondContact N-OD2 2.9Å; K85-D88 WeakPolarHBondContact O-CB 3.22Å; K85-D88 PolarHBondContact O-N 2.88Å | ||
| 86 | L | 84.8 | Confident | 90.1 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.9 | 177.3 | -171.4 | 56.9 | 0 | 0 | 0 | 115.7 | E26 V116 K178 L179 | E26-L86 WeakPolarHBondContact OE1-CB 3.3Å; E26-L86 PolarHBondContact OE1-N 2.7Å; L86-V116 HydrophobicContact CD1-CG2 3.96Å; L86-V116 HydrophobicContact CD2-CG2 4.32Å; L86-V116 HydrophobicContact CG-CG2 4.49Å; L86-K178 HydrophobicContact CD1-CB 4.09Å; L86-K178 HydrophobicContact CD1-CD 4.38Å; L86-K178 HydrophobicContact CD2-CB 3.63Å; L86-K178 HydrophobicContact CD2-CD 4.42Å; L86-K178 HydrophobicContact CG-CB 3.84Å; L86-K178 HydrophobicContact CG-CD 3.86Å; L86-K178 PolarHBondContact O-NZ 3.39Å; L86-L179 HydrophobicContact CD2-CD2 3.67Å; L86-L179 HydrophobicContact CD2-CG 3.99Å |
| 87 | E | 85.2 | Confident | 89.7 | Confident | 118 Ų | 118 | 31.3 Ų | 31.3 | 55% | 0.551 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -28.3 | 170.4 | 53.6 | 177 | -159.3 | 0 | 0 | 114.3 | K49 R65 K85 N89 | K49-E87 PolarHBondContact NZ-O 2.88Å; K49-E87 VanDerWaalsContact NZ-O 3.11Å; R65-E87 IonicContact CZ-OE1 2.71Å; R65-E87 IonicContact NH2-OE1 2.71Å; R65-E87 PolarHBondContact NH2-OE1 3.1Å; K85-E87 HydrophobicContact CB-CG 3.64Å; K85-E87 PolarHBondContact O-N 3.09Å; E87-N89 PolarHBondContact O-N 2.97Å |
| 88 | D | 88.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.6 | -179.8 | -59.1 | -37.2 | 0 | 0 | 0 | 112.5 | K49 R65 Y66 V84 K85 G90 F92 L112 V114 | K49-D88 WeakPolarHBondContact CE-O 3.45Å; R65-D88 IonicContact CZ-OD1 3.48Å; R65-D88 IonicContact CZ-OD2 3.57Å; R65-D88 IonicContact NH1-OD1 2.73Å; R65-D88 IonicContact NH1-OD2 3.12Å; R65-D88 PolarHBondContact NH1-OD2 3.19Å; R65-D88 VanDerWaalsContact NH2-CG 3.34Å; R65-D88 IonicContact NH2-OD1 3.89Å; R65-D88 PolarHBondContact NH2-OD1 2.82Å; R65-D88 IonicContact NH2-OD2 2.97Å; R65-D88 PolarHBondContact NH2-OD2 3.43Å; R65-D88 VanDerWaalsContact NH2-OD2 3.15Å; Y66-D88 VanDerWaalsContact CE2-OD1 3.28Å; Y66-D88 WeakPolarHBondContact CE2-OD1 3.36Å; Y66-D88 PolarHBondContact OH-OD1 3.2Å; V84-D88 WeakPolarHBondContact CA-OD2 3.32Å; V84-D88 HydrophobicContact CG1-CB 4.08Å; K85-D88 PolarHBondContact N-OD2 2.9Å; K85-D88 WeakPolarHBondContact O-CB 3.22Å; K85-D88 PolarHBondContact O-N 2.88Å; D88-G90 PolarHBondContact O-N 2.83Å; D88-F92 VanDerWaalsContact O-CE2 3.27Å; D88-F92 WeakPolarHBondContact O-CE2 3.48Å; D88-L112 HydrophobicContact CB-CD2 4.16Å; D88-V114 HydrophobicContact CB-CG2 4.4Å |
| 89 | N | 87.8 | Confident | 88 | Confident | 24 Ų | 24 | 33.9 Ų | 33.9 | 13% | 0.128 | 17% | 0.173 | C | C | . | . | trans | -56.8 | 111.2 | 178.7 | -172.3 | 117.4 | 0 | 0 | 0 | 111.1 | E87 L112 N113 V114 R150 | E87-N89 PolarHBondContact O-N 2.97Å; N89-L112 WeakPolarHBondContact CA-O 3.3Å; N89-L112 PolarHBondContact OD1-O 2.95Å; N89-N113 WeakPolarHBondContact OD1-CA 3.32Å; N89-V114 HydrophobicContact CB-CB 4.09Å; N89-V114 HydrophobicContact CB-CG2 3.77Å; N89-V114 PolarHBondContact OD1-N 2.98Å; N89-R150 PolarHBondContact ND2-NH2 2.84Å; N89-R150 PolarHBondContact OD1-NH1 3.29Å; N89-R150 PolarHBondContact OD1-NH2 2.98Å | ||
| 90 | G | 88.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 39 Ų | 39 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D50 D88 L112 | D50-G90 WeakPolarHBondContact OD1-CA 3.12Å; D88-G90 PolarHBondContact O-N 2.83Å; G90-L112 PolarHBondContact N-O 3.38Å; G90-L112 PolarHBondContact O-N 2.86Å |
| 91 | E | 93 | Very high | 85.7 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.4 | 171.6 | -174.2 | 168.7 | -156.1 | 0 | 0 | 109.1 | K49 D50 R109 L111 | K49-E91 CarbonylContact C-O 3.57Å; D50-E91 PolarHBondContact N-O 3.29Å; D50-E91 PolarHBondContact OD1-N 2.98Å; E91-R109 HydrophobicContact CG-CB 4.34Å; E91-R109 WeakPolarHBondContact OE1-CD 3.2Å; E91-R109 IonicContact OE1-NH1 3.69Å; E91-L111 HydrophobicContact CB-CD1 4.43Å |
| 92 | F | 92.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.3 | 176.4 | -74.4 | -96.6 | 0 | 0 | 0 | 109.5 | L32 W47 T48 K49 L54 Y66 L79 I81 D88 R109 A110 L112 | L32-F92 HydrophobicContact CD1-CB 3.62Å; L32-F92 HydrophobicContact CD1-CD1 4.09Å; L32-F92 HydrophobicContact CD1-CD2 3.78Å; L32-F92 HydrophobicContact CD1-CE2 4.45Å; L32-F92 HydrophobicContact CD1-CG 3.57Å; W47-F92 HydrophobicContact CE3-CB 3.93Å; W47-F92 HydrophobicContact CZ3-CB 3.83Å; T48-F92 VanDerWaalsContact O-CA 3.25Å; T48-F92 WeakPolarHBondContact O-CA 3.36Å; K49-F92 HydrophobicContact CB-CD1 4.02Å; K49-F92 HydrophobicContact CB-CE1 3.74Å; K49-F92 HydrophobicContact CB-CZ 4.19Å; K49-F92 HydrophobicContact CD-CE1 4.02Å; K49-F92 HydrophobicContact CD-CE2 4.44Å; K49-F92 HydrophobicContact CD-CZ 3.71Å; K49-F92 HydrophobicContact CG-CD1 4.3Å; K49-F92 HydrophobicContact CG-CE1 3.78Å; K49-F92 HydrophobicContact CG-CE2 4.12Å; K49-F92 HydrophobicContact CG-CZ 3.68Å; L54-F92 HydrophobicContact CD1-CD1 4.32Å; L54-F92 HydrophobicContact CD1-CE1 4.19Å; Y66-F92 HydrophobicContact CD1-CE1 4.44Å; Y66-F92 AromaticContact CE1-CE1 3.7Å; Y66-F92 HydrophobicContact CE1-CE1 3.7Å; Y66-F92 AromaticContact CE1-CZ 3.98Å; Y66-F92 HydrophobicContact CE1-CZ 3.98Å; L79-F92 HydrophobicContact CD2-CD1 3.4Å; L79-F92 VanDerWaalsContact CD2-CD1 3.4Å; L79-F92 HydrophobicContact CD2-CE1 3.56Å; L79-F92 HydrophobicContact CD2-CG 4.45Å; I81-F92 HydrophobicContact CD1-CE1 3.77Å; I81-F92 HydrophobicContact CD1-CE2 4.27Å; I81-F92 HydrophobicContact CD1-CZ 3.48Å; I81-F92 VanDerWaalsContact CD1-CZ 3.48Å; D88-F92 VanDerWaalsContact O-CE2 3.27Å; D88-F92 WeakPolarHBondContact O-CE2 3.48Å; F92-R109 CarbonylContact O-C 3.59Å; F92-R109 WeakPolarHBondContact O-CA 3.27Å; F92-A110 PolarHBondContact N-O 3.04Å; F92-A110 PolarHBondContact O-N 2.92Å; F92-L112 HydrophobicContact CD2-CB 3.76Å; F92-L112 HydrophobicContact CD2-CD2 4.49Å; F92-L112 HydrophobicContact CE2-CB 3.65Å; F92-L112 HydrophobicContact CE2-CD2 3.71Å; F92-L112 HydrophobicContact CE2-CG 4.33Å; F92-L112 HydrophobicContact CZ-CD2 4.2Å |
| 93 | E | 93 | Very high | 83.3 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.9 | 177.6 | -159.8 | 176.6 | -138.4 | 0 | 0 | 110.2 | W47 T48 Q95 R107 A108 R109 | W47-E93 CarbonylContact C-O 3.58Å; W47-E93 WeakPolarHBondContact CA-O 3.48Å; T48-E93 PolarHBondContact N-O 3.01Å; T48-E93 PolarHBondContact O-N 3.17Å; T48-E93 VanDerWaalsContact O-N 3.07Å; T48-E93 WeakPolarHBondContact OG1-CB 3.47Å; E93-Q95 HydrophobicContact CB-CG 4.41Å; E93-Q95 HydrophobicContact CG-CG 4.06Å; E93-Q95 PolarHBondContact OE2-NE2 3.47Å; E93-R107 HydrophobicContact CG-CB 4.15Å; E93-R107 WeakPolarHBondContact OE1-CD 3.28Å; E93-A108 CarbonylContact C-O 3.57Å; E93-A108 WeakPolarHBondContact CA-O 3.48Å; E93-A108 WeakPolarHBondContact CG-O 3.33Å; E93-R109 HydrophobicContact CG-CB 4.29Å |
| 94 | C | 92 | Very high | 82.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.9 | 167.5 | -170.9 | 0 | 0 | 0 | 0 | 107.6 | F15 P19 C34 T45 W47 R107 A108 | F15-C94 HydrophobicContact CE1-CB 4.45Å; P19-C94 HydrophobicContact CG-CB 3.99Å; C34-C94 HydrophobicContact CB-CB 3.71Å; C34-C94 WeakPolarHBondContact CB-SG 3.04Å; C34-C94 WeakPolarHBondContact SG-CB 3.43Å; C34-C94 CovalentContact SG-SG 2.04Å; C34-C94 PolarHBondContact SG-SG 2.87Å; T45-C94 VanDerWaalsContact CG2-SG 3.52Å; W47-C94 HydrophobicContact CD2-CB 3.98Å; W47-C94 HydrophobicContact CE3-CB 3.99Å; W47-C94 HydrophobicContact CH2-CB 4.07Å; W47-C94 HydrophobicContact CZ2-CB 3.98Å; W47-C94 HydrophobicContact CZ3-CB 4.03Å; C94-R107 WeakPolarHBondContact O-CA 3.39Å; C94-A108 PolarHBondContact N-O 3.05Å; C94-A108 PolarHBondContact O-N 3.49Å |
| 95 | Q | 90.5 | Very high | 82 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.9 | -176.9 | -65.1 | -177.9 | 0 | 0 | 0 | 109.3 | T45 H46 E93 L106 R107 | T45-Q95 CarbonylContact C-O 3.54Å; T45-Q95 WeakPolarHBondContact CA-O 3.48Å; H46-Q95 PolarHBondContact CE1-OE1 2.78Å; H46-Q95 PolarHBondContact N-O 3.17Å; H46-Q95 PolarHBondContact NE2-OE1 2.92Å; H46-Q95 PolarHBondContact O-N 3.39Å; E93-Q95 HydrophobicContact CB-CG 4.41Å; E93-Q95 HydrophobicContact CG-CG 4.06Å; E93-Q95 PolarHBondContact OE2-NE2 3.47Å; Q95-L106 CarbonylContact C-O 3.39Å; Q95-L106 WeakPolarHBondContact CA-O 3.44Å; Q95-R107 HydrophobicContact CG-CB 4.12Å |
| 96 | V | 86.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.2 | 178.8 | -163.8 | 0 | 0 | 0 | 0 | 108.3 | F15 V36 T45 G105 L106 | F15-V96 HydrophobicContact CE1-CG2 3.62Å; F15-V96 HydrophobicContact CZ-CG2 3.87Å; V36-V96 HydrophobicContact CG1-CG1 4.08Å; V36-V96 HydrophobicContact CG1-CG2 4.14Å; V36-V96 HydrophobicContact CG2-CG2 3.61Å; T45-V96 HydrophobicContact CG2-CG2 4.04Å; V96-G105 CarbonylContact O-C 3.52Å; V96-G105 WeakPolarHBondContact O-CA 3.39Å; V96-L106 HydrophobicContact CB-CB 4Å; V96-L106 HydrophobicContact CB-CD1 4.38Å; V96-L106 HydrophobicContact CG2-CB 4.01Å; V96-L106 HydrophobicContact CG2-CD1 4.26Å; V96-L106 PolarHBondContact N-O 3.47Å; V96-L106 PolarHBondContact O-N 3.38Å |
| 97 | L | 82 | Confident | 82.1 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.346 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 137.5 | 176.8 | -75.1 | 160.6 | 0 | 0 | 0 | 110.8 | R44 F56 | R44-L97 HydrophobicContact CB-CB 4.41Å; R44-L97 HydrophobicContact CB-CD1 3.74Å; R44-L97 WeakPolarHBondContact O-CB 3.39Å; R44-L97 PolarHBondContact O-N 2.93Å; F56-L97 HydrophobicContact CE1-CD1 3.64Å; F56-L97 HydrophobicContact CZ-CD1 4.2Å |
| 98 | P | 76.7 | Confident | 82.3 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 144.4 | -177 | 24.5 | -31.7 | 0 | 0 | 0 | 112 | E102 | P98-E102 HydrophobicContact CB-CB 3.8Š|
| 99 | T | 69.8 | Low | 82.5 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 160.4 | 170.5 | 19.2 | 0 | 0 | 0 | 0 | 112.5 | Q13 Q42 G101 E102 | Q13-T99 PolarHBondContact NE2-OG1 2.68Å; Q42-T99 HydrophobicContact CB-CG2 4.42Å; T99-G101 PolarHBondContact O-N 2.7Å; T99-E102 PolarHBondContact N-OE2 2.79Å; T99-E102 PolarHBondContact O-N 2.84Å; T99-E102 PolarHBondContact OG1-OE2 2.73Å |
| 100 | P | 68.8 | Low | 82.6 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 70% | 0.701 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 103.7 | 179.3 | -21.8 | 32.6 | 0 | 0 | 0 | 112 | Q42 | Q42-P100 VanDerWaalsContact OE1-CG 3.29Š|
| 101 | G | 67.7 | Low | 82.8 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 89% | 0.887 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.6 | -19.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T99 | T99-G101 PolarHBondContact O-N 2.7Š|
| 102 | E | 65.5 | Low | 82.8 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | trans | -96.7 | 137.4 | 173.8 | -67.3 | 166.4 | 143 | 0 | 0 | 110.6 | Q12 Q13 P98 T99 | Q12-E102 HydrophobicContact CG-CG 4.32Å; Q12-E102 WeakPolarHBondContact CG-OE1 3.25Å; Q13-E102 PolarHBondContact N-OE1 2.81Å; P98-E102 HydrophobicContact CB-CB 3.8Å; T99-E102 PolarHBondContact N-OE2 2.79Å; T99-E102 PolarHBondContact O-N 2.84Å; T99-E102 PolarHBondContact OG1-OE2 2.73Å | ||
| 103 | E | 67.1 | Low | 82.6 | Confident | 199 Ų | 199 | 65.8 Ų | 65.8 | 93% | 0.93 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -83.4 | -34.3 | 176.7 | -67.7 | -170.9 | 153.4 | 0 | 0 | 113.1 | ||
| 104 | E | 72.4 | Confident | 82.4 | Confident | 158 Ų | 158 | 64 Ų | 64 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -121.5 | 141.1 | -178.3 | -68 | -162.4 | 150.6 | 0 | 0 | 111.9 | ||
| 105 | G | 79.3 | Confident | 82.3 | Confident | 33 Ų | 33 | 65 Ų | 65 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | trans | -81 | 155 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | V96 | V96-G105 CarbonylContact O-C 3.52Å; V96-G105 WeakPolarHBondContact O-CA 3.39Å | ||
| 106 | L | 86.4 | Confident | 82.2 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 144.8 | 175.7 | -54.7 | 168.6 | 0 | 0 | 0 | 110.8 | Q13 F15 V36 Q95 V96 | Q13-L106 HydrophobicContact CB-CD1 3.76Å; Q13-L106 HydrophobicContact CB-CG 4.46Å; F15-L106 HydrophobicContact CD2-CB 4.24Å; F15-L106 HydrophobicContact CE2-CB 3.53Å; F15-L106 HydrophobicContact CZ-CB 3.69Å; V36-L106 HydrophobicContact CG1-CD1 4.45Å; Q95-L106 CarbonylContact C-O 3.39Å; Q95-L106 WeakPolarHBondContact CA-O 3.44Å; V96-L106 HydrophobicContact CB-CB 4Å; V96-L106 HydrophobicContact CB-CD1 4.38Å; V96-L106 HydrophobicContact CG2-CB 4.01Å; V96-L106 HydrophobicContact CG2-CD1 4.26Å; V96-L106 PolarHBondContact N-O 3.47Å; V96-L106 PolarHBondContact O-N 3.38Å |
| 107 | R | 89.2 | Confident | 82.2 | Confident | 172 Ų | 172 | 64 Ų | 64 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 137.7 | 170 | 56.9 | 179.1 | 162.3 | 172.8 | -7 | 111.2 | F15 E93 C94 Q95 | F15-R107 VanDerWaalsContact CE2-C 3.43Å; E93-R107 HydrophobicContact CG-CB 4.15Å; E93-R107 WeakPolarHBondContact OE1-CD 3.28Å; C94-R107 WeakPolarHBondContact O-CA 3.39Å; Q95-R107 HydrophobicContact CG-CB 4.12Å |
| 108 | A | 90.5 | Very high | 82.4 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 137.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | F15 P18 P19 E93 C94 | F15-A108 HydrophobicContact CD2-CB 3.72Å; F15-A108 HydrophobicContact CE1-CB 4.37Å; F15-A108 HydrophobicContact CE2-CB 3.36Å; F15-A108 HydrophobicContact CG-CB 4.35Å; F15-A108 HydrophobicContact CZ-CB 3.74Å; P18-A108 HydrophobicContact CB-CB 4.08Å; P19-A108 HydrophobicContact CG-CB 3.85Å; P19-A108 WeakPolarHBondContact CG-O 3.28Å; E93-A108 CarbonylContact C-O 3.57Å; E93-A108 WeakPolarHBondContact CA-O 3.48Å; E93-A108 WeakPolarHBondContact CG-O 3.33Å; C94-A108 PolarHBondContact N-O 3.05Å; C94-A108 PolarHBondContact O-N 3.49Å |
| 109 | R | 92.2 | Very high | 82.8 | Confident | 169 Ų | 169 | 66 Ų | 66 | 64% | 0.638 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.6 | -170.6 | 56 | 171.2 | 174.6 | -163.8 | -1.9 | 112.5 | E91 F92 E93 | E91-R109 HydrophobicContact CG-CB 4.34Å; E91-R109 WeakPolarHBondContact OE1-CD 3.2Å; E91-R109 IonicContact OE1-NH1 3.69Å; F92-R109 CarbonylContact O-C 3.59Å; F92-R109 WeakPolarHBondContact O-CA 3.27Å; E93-R109 HydrophobicContact CG-CB 4.29Å |
| 110 | A | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P19 S20 L32 F92 | P19-A110 HydrophobicContact CB-CB 3.78Å; S20-A110 VanDerWaalsContact C-CB 3.49Å; S20-A110 VanDerWaalsContact O-CB 3.26Å; S20-A110 WeakPolarHBondContact O-CB 3.25Å; L32-A110 HydrophobicContact CD2-CB 4.38Å; F92-A110 PolarHBondContact N-O 3.04Å; F92-A110 PolarHBondContact O-N 2.92Å |
| 111 | L | 92.8 | Very high | 84.7 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.2 | 169 | -168.4 | 74.6 | 0 | 0 | 0 | 109.5 | N21 A22 E91 | N21-L111 WeakPolarHBondContact CA-O 3.4Å; N21-L111 PolarHBondContact OD1-N 3.14Å; A22-L111 PolarHBondContact N-O 2.76Å; A22-L111 VanDerWaalsContact N-O 3.1Å; E91-L111 HydrophobicContact CB-CD1 4.43Å |
| 112 | L | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114 | 169.5 | -179.1 | 61.3 | 0 | 0 | 0 | 110 | A22 V24 V30 I81 D88 N89 G90 F92 V114 | A22-L112 HydrophobicContact CB-CD1 4.06Å; V24-L112 HydrophobicContact CG1-CD1 3.8Å; V30-L112 HydrophobicContact CB-CD1 4.34Å; V30-L112 HydrophobicContact CG1-CD1 3.87Å; V30-L112 HydrophobicContact CG1-CD2 4.05Å; V30-L112 HydrophobicContact CG2-CD1 3.92Å; I81-L112 HydrophobicContact CD1-CD2 3.83Å; D88-L112 HydrophobicContact CB-CD2 4.16Å; N89-L112 WeakPolarHBondContact CA-O 3.3Å; N89-L112 PolarHBondContact OD1-O 2.95Å; G90-L112 PolarHBondContact N-O 3.38Å; G90-L112 PolarHBondContact O-N 2.86Å; F92-L112 HydrophobicContact CD2-CB 3.76Å; F92-L112 HydrophobicContact CD2-CD2 4.49Å; F92-L112 HydrophobicContact CE2-CB 3.65Å; F92-L112 HydrophobicContact CE2-CD2 3.71Å; F92-L112 HydrophobicContact CE2-CG 4.33Å; F92-L112 HydrophobicContact CZ-CD2 4.2Å; L112-V114 HydrophobicContact CG-CG2 4.38Å |
| 113 | N | 89 | Confident | 86.4 | Confident | 56 Ų | 56 | 60 Ų | 60 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 112.1 | 175 | -76.6 | -42.8 | 0 | 0 | 0 | 111.1 | A22 S23 V24 N89 | A22-N113 PolarHBondContact O-N 2.88Å; S23-N113 VanDerWaalsContact CA-O 3.26Å; S23-N113 WeakPolarHBondContact CA-O 3.33Å; V24-N113 PolarHBondContact N-O 2.95Å; V24-N113 VanDerWaalsContact N-O 3.11Å; N89-N113 WeakPolarHBondContact OD1-CA 3.32Å |
| 114 | V | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122.2 | 177.3 | -176 | 0 | 0 | 0 | 0 | 109.8 | V24 E26 V84 D88 N89 L112 R150 | V24-V114 HydrophobicContact CG1-CG2 4.5Å; E26-V114 HydrophobicContact CB-CG1 4.05Å; V84-V114 HydrophobicContact CG1-CB 4.34Å; V84-V114 HydrophobicContact CG1-CG1 3.96Å; V84-V114 HydrophobicContact CG1-CG2 3.44Å; V84-V114 VanDerWaalsContact CG1-CG2 3.44Å; D88-V114 HydrophobicContact CB-CG2 4.4Å; N89-V114 HydrophobicContact CB-CB 4.09Å; N89-V114 HydrophobicContact CB-CG2 3.77Å; N89-V114 PolarHBondContact OD1-N 2.98Å; L112-V114 HydrophobicContact CG-CG2 4.38Å; V114-R150 WeakPolarHBondContact O-CD 3.44Å |
| 115 | L | 89.6 | Confident | 85.9 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.3 | -176.9 | -48 | 175.2 | 0 | 0 | 0 | 109.8 | V24 V25 E26 R150 P206 A207 | V24-L115 WeakPolarHBondContact O-CB 3.22Å; V24-L115 WeakPolarHBondContact O-CG 3.41Å; V24-L115 PolarHBondContact O-N 3.08Å; V25-L115 CarbonylContact C-O 3.53Å; V25-L115 WeakPolarHBondContact CA-O 3.38Å; V25-L115 HydrophobicContact CG2-CB 4.47Å; V25-L115 HydrophobicContact CG2-CD1 4.48Å; E26-L115 PolarHBondContact N-O 2.9Å; L115-R150 CarbonylContact C-O 3.59Å; L115-R150 WeakPolarHBondContact CA-O 3.24Å; L115-P206 HydrophobicContact CD1-CB 4.21Å; L115-P206 HydrophobicContact CD1-CG 4.3Å; L115-P206 HydrophobicContact CD2-CG 4.41Å; L115-A207 HydrophobicContact CB-CB 4.01Å |
| 116 | V | 87.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -110.3 | 121.5 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | E26 L86 S149 R150 L179 H205 | E26-V116 HydrophobicContact CB-CG2 4.05Å; L86-V116 HydrophobicContact CD1-CG2 3.96Å; L86-V116 HydrophobicContact CD2-CG2 4.32Å; L86-V116 HydrophobicContact CG-CG2 4.49Å; V116-S149 CarbonylContact O-C 3.51Å; V116-S149 VanDerWaalsContact O-CA 3.28Å; V116-S149 WeakPolarHBondContact O-CA 3.47Å; V116-R150 HydrophobicContact CB-CB 4.11Å; V116-R150 HydrophobicContact CG2-CB 4.27Å; V116-R150 PolarHBondContact N-O 2.85Å; V116-R150 PolarHBondContact O-N 2.89Å; V116-L179 HydrophobicContact CB-CD2 3.61Å; V116-L179 HydrophobicContact CG1-CD2 3.67Å; V116-L179 HydrophobicContact CG2-CD2 3.79Å; V116-H205 PolarHBondContact N-CE1 2.99Å; V116-H205 VanDerWaalsContact N-CE1 3.3Å; V116-H205 PolarHBondContact O-CE1 2.86Å; V116-H205 PolarHBondContact O-NE2 3.33Å |
| 117 | A | 86.3 | Confident | 83.5 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | trans | -64.4 | 148.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K119 A207 L208 | A117-K119 PolarHBondContact O-N 2.94Å; A117-A207 HydrophobicContact CB-CB 3.95Å; A117-L208 HydrophobicContact CB-CD2 4.07Å; A117-L208 HydrophobicContact CB-CG 4.43Å | ||
| 118 | P | 87.5 | Confident | 82.3 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.071 | 30% | 0.303 | C | S | . | . | trans | -64.5 | 137.5 | 179.3 | -10.4 | 23.8 | 0 | 0 | 0 | 111.8 | V146 A153 H205 L208 L214 | P118-V146 HydrophobicContact CB-CG1 3.42Å; P118-V146 VanDerWaalsContact CB-CG1 3.42Å; P118-V146 HydrophobicContact CG-CG1 3.91Å; P118-A153 HydrophobicContact CG-CB 4.07Å; P118-H205 HydrophobicContact CG-CB 3.89Å; P118-L208 HydrophobicContact CG-CD1 4.03Å; P118-L214 HydrophobicContact CB-CD1 4.04Å | ||
| 119 | K | 84.8 | Confident | 81.2 | Confident | 149 Ų | 149 | 56.3 Ų | 56.3 | 65% | 0.648 | 32% | 0.323 | S | S | * | . | trans | -83.2 | -30.4 | -174.5 | -65.3 | 178.3 | -179.6 | 175.9 | 0 | 113 | A117 S147 | A117-K119 PolarHBondContact O-N 2.94Å; K119-S147 PolarHBondContact N-O 3.07Å | ||
| 120 | S | 87.2 | Confident | 80.4 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 158.7 | 179.2 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | V146 S147 | S120-V146 WeakPolarHBondContact O-CA 3.35Å; S120-S147 PolarHBondContact O-N 2.87Å |
| 121 | I | 89.7 | Confident | 79.8 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.9 | 168.1 | -168.9 | 169.1 | 0 | 0 | 0 | 107.8 | R145 V146 A203 L214 T216 | I121-R145 CarbonylContact C-O 3.54Å; I121-R145 WeakPolarHBondContact CA-O 3.31Å; I121-V146 HydrophobicContact CB-CG2 4.25Å; I121-V146 HydrophobicContact CD1-CG2 3.96Å; I121-V146 HydrophobicContact CG1-CG2 3.72Å; I121-A203 HydrophobicContact CD1-CB 4.03Å; I121-L214 HydrophobicContact CB-CB 4.16Å; I121-L214 HydrophobicContact CD1-CB 4.4Å; I121-L214 HydrophobicContact CG2-CB 3.86Å; I121-T216 HydrophobicContact CD1-CG2 3.93Å; I121-T216 HydrophobicContact CG1-CG2 3.75Å; I121-T216 HydrophobicContact CG2-CG2 4.19Å |
| 122 | T | 86 | Confident | 79.3 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 148.7 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | C144 R145 | T122-C144 WeakPolarHBondContact O-CA 3.48Å; T122-R145 PolarHBondContact N-O 2.86Å; T122-R145 PolarHBondContact O-N 3.22Å |
| 123 | L | 83 | Confident | 78.9 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 107.2 | 169.8 | -73.9 | 170.5 | 0 | 0 | 0 | 111.6 | K127 D128 C144 W157 C201 T216 F218 | L123-K127 PolarHBondContact O-N 3.05Å; L123-D128 PolarHBondContact N-OD1 2.87Å; L123-C144 HydrophobicContact CD2-CB 3.99Å; L123-W157 HydrophobicContact CD2-CH2 3.42Å; L123-W157 VanDerWaalsContact CD2-CH2 3.42Å; L123-W157 HydrophobicContact CD2-CZ3 3.8Å; L123-C201 HydrophobicContact CD2-CB 4.14Å; L123-T216 HydrophobicContact CD1-CG2 3.97Å; L123-T216 VanDerWaalsContact CD1-OG1 3.29Å; L123-T216 WeakPolarHBondContact CD1-OG1 3.13Å; L123-T216 HydrophobicContact CD2-CG2 4.41Å; L123-T216 HydrophobicContact CG-CG2 3.65Å; L123-F218 HydrophobicContact CD1-CB 4.43Å; L123-F218 HydrophobicContact CD1-CD1 3.8Å |
| 124 | G | 70 | Confident | 78.8 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -150.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D126 E143 | G124-D126 PolarHBondContact O-N 2.95Å; G124-E143 PolarHBondContact N-O 2.93Å |
| 125 | A | 58.8 | Low | 78.6 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 80% | 0.802 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 88.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 126 | D | 53.9 | Low | 78.4 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 86% | 0.861 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 58.8 | 175.7 | -67.9 | -28.1 | 0 | 0 | 0 | 115.7 | G124 | G124-D126 PolarHBondContact O-N 2.95Š|
| 127 | K | 63.3 | Low | 78.1 | Confident | 100 Ų | 100 | 68.5 Ų | 68.5 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | trans | -122.3 | 20.2 | 179.9 | -83.6 | -160.2 | 176.4 | -165 | 0 | 116.7 | L123 G129 S130 | L123-K127 PolarHBondContact O-N 3.05Å; K127-G129 PolarHBondContact O-N 2.99Å; K127-S130 VanDerWaalsContact CB-OG 3.3Å; K127-S130 WeakPolarHBondContact CB-OG 3.47Å; K127-S130 VanDerWaalsContact O-CB 3.24Å; K127-S130 WeakPolarHBondContact O-CB 3.12Å; K127-S130 PolarHBondContact O-N 2.82Å; K127-S130 VanDerWaalsContact O-N 3.1Å; K127-S130 PolarHBondContact O-OG 2.78Å | ||
| 128 | D | 63.8 | Low | 78 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 125.5 | 171 | -92.3 | 36.4 | 0 | 0 | 0 | 111.6 | L123 S130 T216 | L123-D128 PolarHBondContact N-OD1 2.87Å; D128-S130 PolarHBondContact O-N 3.5Å; D128-T216 PolarHBondContact OD1-OG1 3.01Å; D128-T216 WeakPolarHBondContact OD2-CB 3.35Å; D128-T216 PolarHBondContact OD2-OG1 3.1Å |
| 129 | G | 66.3 | Low | 77.8 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 55% | 0.546 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 3.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K127 N217 | K127-G129 PolarHBondContact O-N 2.99Å; G129-N217 WeakPolarHBondContact CA-O 3.2Å; G129-N217 PolarHBondContact N-O 3.25Å |
| 130 | S | 76.8 | Confident | 77.7 | Confident | 28 Ų | 28 | 72.6 Ų | 72.6 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | trans | -74.8 | 165.7 | -174.3 | 72 | 0 | 0 | 0 | 0 | 114 | K127 D128 F218 T219 | K127-S130 VanDerWaalsContact CB-OG 3.3Å; K127-S130 WeakPolarHBondContact CB-OG 3.47Å; K127-S130 VanDerWaalsContact O-CB 3.24Å; K127-S130 WeakPolarHBondContact O-CB 3.12Å; K127-S130 PolarHBondContact O-N 2.82Å; K127-S130 VanDerWaalsContact O-N 3.1Å; K127-S130 PolarHBondContact O-OG 2.78Å; D128-S130 PolarHBondContact O-N 3.5Å; S130-F218 WeakPolarHBondContact O-CA 3.47Å; S130-F218 WeakPolarHBondContact O-CB 3.45Å; S130-T219 PolarHBondContact O-N 3.43Å | ||
| 131 | K | 78 | Confident | 77.6 | Confident | 165 Ų | 165 | 73.7 Ų | 73.7 | 72% | 0.717 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.1 | 164 | -75.1 | -179.9 | 176.4 | -173.5 | 0 | 109.5 | T219 | K131-T219 CarbonylContact C-O 3.6Å; K131-T219 WeakPolarHBondContact CA-O 3.35Å; K131-T219 WeakPolarHBondContact CG-OG1 3.31Å |
| 132 | F | 82.4 | Confident | 77.3 | Confident | 46 Ų | 46 | 73.5 Ų | 73.5 | 20% | 0.202 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.2 | 171.8 | -164.8 | -72.1 | 0 | 0 | 0 | 108.9 | F140 F218 T219 L220 A221 | F132-F140 HydrophobicContact CD1-CB 4.26Å; F132-F140 HydrophobicContact CD1-CD1 4.49Å; F132-F140 HydrophobicContact CD1-CD2 4.46Å; F132-F140 HydrophobicContact CD1-CG 4.18Å; F132-F140 HydrophobicContact CE1-CB 3.38Å; F132-F140 HydrophobicContact CE1-CD1 4.38Å; F132-F140 HydrophobicContact CE1-CD2 4.21Å; F132-F140 AromaticContact CE1-CG 3.77Å; F132-F140 HydrophobicContact CE1-CG 3.77Å; F132-F140 HydrophobicContact CZ-CB 3.59Å; F132-F140 HydrophobicContact CZ-CD2 4.26Å; F132-F140 HydrophobicContact CZ-CG 4.14Å; F132-F218 HydrophobicContact CB-CD2 3.54Å; F132-F218 HydrophobicContact CB-CE2 3.84Å; F132-F218 HydrophobicContact CG-CD2 4.41Å; F132-F218 HydrophobicContact CG-CE2 4.34Å; F132-T219 PolarHBondContact N-O 3.35Å; F132-L220 HydrophobicContact CB-CD1 4.22Å; F132-L220 HydrophobicContact CD1-CD1 3.91Å; F132-L220 HydrophobicContact CG-CD1 4.43Å; F132-L220 CarbonylContact O-C 3.51Å; F132-L220 WeakPolarHBondContact O-CA 3.32Å; F132-A221 PolarHBondContact O-N 2.71Å |
| 133 | E | 83.4 | Confident | 77.4 | Confident | 131 Ų | 131 | 73.7 Ų | 73.7 | 61% | 0.612 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.5 | 179.7 | -165 | -179.7 | 134.8 | 0 | 0 | 111.2 | A221 L223 | E133-A221 WeakPolarHBondContact CA-O 3.29Å; E133-A221 HydrophobicContact CG-CB 4.39Å; E133-L223 HydrophobicContact CG-CD1 4.22Å; E133-L223 HydrophobicContact CG-CG 4.2Å; E133-L223 VanDerWaalsContact OE1-CD1 3.29Å; E133-L223 WeakPolarHBondContact OE1-CD1 3.28Å |
| 134 | T | 86.7 | Confident | 77.7 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.11 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 171.1 | 176.4 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | F140 A190 L220 A221 V222 L223 | T134-F140 HydrophobicContact CG2-CD1 4.31Å; T134-A190 HydrophobicContact CG2-CB 3.38Å; T134-L220 HydrophobicContact CG2-CD1 3.88Å; T134-L220 HydrophobicContact CG2-CG 4.48Å; T134-A221 PolarHBondContact N-O 2.95Å; T134-V222 HydrophobicContact CG2-CG2 4.39Å; T134-V222 CarbonylContact O-C 3.41Å; T134-V222 WeakPolarHBondContact O-CA 3.49Å; T134-L223 WeakPolarHBondContact O-CB 3.39Å; T134-L223 PolarHBondContact O-N 2.76Å |
| 135 | R | 85.5 | Confident | 78.6 | Confident | 80 Ų | 80 | 75.6 Ų | 75.6 | 30% | 0.302 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 146.2 | 172.3 | -64.5 | -173.5 | -175.8 | -134.4 | -2.4 | 110.8 | G137 R138 L223 A304 A305 | R135-G137 PolarHBondContact O-N 2.71Å; R135-R138 HydrophobicContact CB-CG 4.24Å; R135-R138 WeakPolarHBondContact O-CB 3.49Å; R135-R138 PolarHBondContact O-N 3.42Å; R135-L223 CarbonylContact C-O 3.24Å; R135-L223 WeakPolarHBondContact CA-O 3.12Å; R135-L223 HydrophobicContact CG-CB 4.09Å; R135-L223 HydrophobicContact CG-CD1 4.24Å; R135-A304 PolarHBondContact NH1-O 2.81Å; R135-A304 PolarHBondContact NH2-O 3.46Å; R135-A305 VanDerWaalsContact NH1-C 3.28Å; R135-A305 PolarHBondContact NH1-O 2.64Å |
| 136 | S | 84.3 | Confident | 80.1 | Confident | 51 Ų | 51 | 71 Ų | 71 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 136.3 | 171.1 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | R138 S192 L223 | S136-R138 VanDerWaalsContact C-N 3.29Å; S136-R138 PolarHBondContact O-N 3.08Å; S136-S192 PolarHBondContact OG-N 2.84Å; S136-L223 PolarHBondContact N-O 3.2Å |
| 137 | G | 81.9 | Confident | 81.7 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -11.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.3 | R135 A190 | R135-G137 PolarHBondContact O-N 2.71Å; G137-A190 PolarHBondContact N-O 3.18Å |
| 138 | R | 84.2 | Confident | 82.7 | Confident | 160 Ų | 160 | 60.3 Ų | 60.3 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | trans | -84.7 | 133.6 | 173.9 | -71.6 | -168.7 | 173.2 | -172.3 | -2.8 | 111.3 | R135 S136 A190 | R135-R138 HydrophobicContact CB-CG 4.24Å; R135-R138 WeakPolarHBondContact O-CB 3.49Å; R135-R138 PolarHBondContact O-N 3.42Å; S136-R138 VanDerWaalsContact C-N 3.29Å; S136-R138 PolarHBondContact O-N 3.08Å; R138-A190 PolarHBondContact O-N 3.44Å; R138-A190 VanDerWaalsContact O-N 3.07Å | ||
| 139 | Q | 84.2 | Confident | 83.8 | Confident | 111 Ų | 111 | 56 Ų | 56 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -76.5 | 129.7 | 167 | -163.4 | 172.9 | 48.2 | 0 | 0 | 109.8 | R187 W188 | Q139-R187 HydrophobicContact CG-CB 4.39Å; Q139-R187 WeakPolarHBondContact CG-O 3.43Å; Q139-R187 PolarHBondContact NE2-O 3.37Å; Q139-W188 CarbonylContact C-O 3.59Å; Q139-W188 WeakPolarHBondContact CA-O 3.17Å |
| 140 | F | 83.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | -104.9 | 149.1 | 165.8 | 70.5 | -96.9 | 0 | 0 | 0 | 110 | F132 T134 T142 L186 R187 W188 A190 F199 F218 L220 | F132-F140 HydrophobicContact CD1-CB 4.26Å; F132-F140 HydrophobicContact CD1-CD1 4.49Å; F132-F140 HydrophobicContact CD1-CD2 4.46Å; F132-F140 HydrophobicContact CD1-CG 4.18Å; F132-F140 HydrophobicContact CE1-CB 3.38Å; F132-F140 HydrophobicContact CE1-CD1 4.38Å; F132-F140 HydrophobicContact CE1-CD2 4.21Å; F132-F140 AromaticContact CE1-CG 3.77Å; F132-F140 HydrophobicContact CE1-CG 3.77Å; F132-F140 HydrophobicContact CZ-CB 3.59Å; F132-F140 HydrophobicContact CZ-CD2 4.26Å; F132-F140 HydrophobicContact CZ-CG 4.14Å; T134-F140 HydrophobicContact CG2-CD1 4.31Å; F140-T142 HydrophobicContact CD2-CG2 4.28Å; F140-T142 HydrophobicContact CE2-CG2 3.92Å; F140-L186 HydrophobicContact CE2-CD2 4.41Å; F140-R187 CarbonylContact O-C 3.55Å; F140-R187 WeakPolarHBondContact O-CA 3.44Å; F140-W188 HydrophobicContact CD1-CB 4.29Å; F140-W188 WeakPolarHBondContact CD1-O 3.35Å; F140-W188 HydrophobicContact CE1-CB 3.67Å; F140-W188 AromaticContact CE1-CD1 3.79Å; F140-W188 HydrophobicContact CE1-CG 4.06Å; F140-W188 HydrophobicContact CE2-CB 4.12Å; F140-W188 HydrophobicContact CZ-CB 3.58Å; F140-W188 HydrophobicContact CZ-CG 4.16Å; F140-W188 PolarHBondContact N-O 2.85Å; F140-W188 PolarHBondContact O-N 2.79Å; F140-W188 VanDerWaalsContact O-N 3.15Å; F140-A190 HydrophobicContact CD1-CB 4.38Å; F140-F199 HydrophobicContact CZ-CE1 4.49Å; F140-F199 HydrophobicContact CZ-CE2 4.36Å; F140-F199 HydrophobicContact CZ-CZ 4.32Å; F140-F218 AromaticContact CE2-CE2 3.92Å; F140-F218 HydrophobicContact CE2-CE2 3.92Å; F140-F218 AromaticContact CE2-CZ 3.52Å; F140-F218 HydrophobicContact CE2-CZ 3.52Å; F140-F218 AromaticContact CZ-CE2 3.9Å; F140-F218 HydrophobicContact CZ-CE2 3.9Å; F140-F218 AromaticContact CZ-CZ 3.74Å; F140-F218 HydrophobicContact CZ-CZ 3.74Å; F140-L220 HydrophobicContact CD1-CD1 3.83Å; F140-L220 HydrophobicContact CE1-CD1 3.38Å; F140-L220 HydrophobicContact CE1-CD2 3.83Å; F140-L220 HydrophobicContact CE1-CG 4.27Å; F140-L220 HydrophobicContact CZ-CD1 3.94Å | ||
| 141 | V | 84 | Confident | 85.1 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | trans | -116.7 | 125 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 107.4 | L186 R187 | V141-L186 WeakPolarHBondContact CA-O 3.28Å; V141-R187 HydrophobicContact CG1-CG 4.23Å; V141-R187 HydrophobicContact CG2-CG 4.04Å | ||
| 142 | T | 84.7 | Confident | 85.4 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 142.5 | 172.9 | -174 | 0 | 0 | 0 | 0 | 109.6 | F140 W157 R185 L186 F218 | F140-T142 HydrophobicContact CD2-CG2 4.28Å; F140-T142 HydrophobicContact CE2-CG2 3.92Å; T142-W157 HydrophobicContact CG2-CH2 3.65Å; T142-W157 HydrophobicContact CG2-CZ2 4.3Å; T142-W157 HydrophobicContact CG2-CZ3 4.18Å; T142-R185 WeakPolarHBondContact O-CA 3.46Å; T142-L186 HydrophobicContact CG2-CB 3.95Å; T142-L186 HydrophobicContact CG2-CD2 4.15Å; T142-L186 HydrophobicContact CG2-CG 4.4Å; T142-L186 PolarHBondContact N-O 3.19Å; T142-L186 VanDerWaalsContact N-O 3.09Å; T142-L186 PolarHBondContact O-N 3.38Å; T142-F218 HydrophobicContact CG2-CE1 3.89Å; T142-F218 HydrophobicContact CG2-CZ 4.05Å |
| 143 | E | 87.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.9 | -177.7 | -45.1 | -159.6 | 160.6 | 0 | 0 | 109 | G124 I183 R185 | G124-E143 PolarHBondContact N-O 2.93Å; E143-I183 HydrophobicContact CB-CG2 4.13Å; E143-R185 HydrophobicContact CG-CG 4.08Å; E143-R185 IonicContact OE1-CZ 3.1Å; E143-R185 IonicContact OE1-NE 2.65Å; E143-R185 PolarHBondContact OE1-NE 2.82Å; E143-R185 IonicContact OE1-NH2 2.67Å; E143-R185 PolarHBondContact OE1-NH2 3.01Å; E143-R185 IonicContact OE2-NE 2.68Å; E143-R185 IonicContact OE2-NH2 2.89Å |
| 144 | C | 88.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.1 | 166.1 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | T122 L123 I155 W157 I183 S184 C201 | T122-C144 WeakPolarHBondContact O-CA 3.48Å; L123-C144 HydrophobicContact CD2-CB 3.99Å; C144-I155 HydrophobicContact CB-CG2 4.45Å; C144-W157 HydrophobicContact CB-CH2 3.67Å; C144-W157 HydrophobicContact CB-CZ2 3.4Å; C144-W157 VanDerWaalsContact CB-CZ2 3.4Å; C144-I183 CarbonylContact O-C 3.58Å; C144-I183 WeakPolarHBondContact O-CA 3.26Å; C144-S184 PolarHBondContact N-O 2.73Å; C144-S184 PolarHBondContact O-N 2.97Å; C144-C201 HydrophobicContact CB-CB 3.63Å; C144-C201 WeakPolarHBondContact CB-SG 3.39Å; C144-C201 WeakPolarHBondContact SG-CB 3.28Å; C144-C201 CovalentContact SG-SG 2.02Å; C144-C201 PolarHBondContact SG-SG 2.81Å |
| 145 | R | 89.5 | Confident | 86 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.9 | -179.6 | -178 | 178.4 | -72 | -103.1 | 1.1 | 109.2 | I121 T122 E172 T181 I183 | I121-R145 CarbonylContact C-O 3.54Å; I121-R145 WeakPolarHBondContact CA-O 3.31Å; T122-R145 PolarHBondContact N-O 2.86Å; T122-R145 PolarHBondContact O-N 3.22Å; R145-E172 IonicContact CZ-OE2 2.71Å; R145-E172 IonicContact NH1-OE2 3.72Å; R145-E172 PolarHBondContact NH1-OE2 2.89Å; R145-E172 IonicContact NH2-OE2 3.42Å; R145-T181 HydrophobicContact CG-CG2 3.62Å; R145-I183 HydrophobicContact CB-CG1 4.47Å; R145-I183 HydrophobicContact CG-CG1 4.15Å; R145-I183 VanDerWaalsContact NH2-CD1 3.3Å |
| 146 | V | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 113.2 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | P118 S120 I121 A153 I155 T181 T182 A203 | P118-V146 HydrophobicContact CB-CG1 3.42Å; P118-V146 VanDerWaalsContact CB-CG1 3.42Å; P118-V146 HydrophobicContact CG-CG1 3.91Å; S120-V146 WeakPolarHBondContact O-CA 3.35Å; I121-V146 HydrophobicContact CB-CG2 4.25Å; I121-V146 HydrophobicContact CD1-CG2 3.96Å; I121-V146 HydrophobicContact CG1-CG2 3.72Å; V146-A153 HydrophobicContact CB-CB 4.18Å; V146-A153 HydrophobicContact CG1-CB 3.48Å; V146-A153 VanDerWaalsContact CG1-CB 3.48Å; V146-I155 HydrophobicContact CB-CD1 4.01Å; V146-I155 HydrophobicContact CB-CG1 4.33Å; V146-I155 HydrophobicContact CG2-CD1 3.61Å; V146-I155 HydrophobicContact CG2-CG1 3.71Å; V146-T181 CarbonylContact O-C 3.58Å; V146-T181 WeakPolarHBondContact O-CA 3.3Å; V146-T182 PolarHBondContact N-O 2.86Å; V146-T182 PolarHBondContact O-N 2.99Å; V146-A203 HydrophobicContact CG1-CB 4.1Å; V146-A203 HydrophobicContact CG2-CB 3.66Å |
| 147 | S | 86.9 | Confident | 86.5 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 144.3 | -165.3 | -57 | 0 | 0 | 0 | 0 | 113 | K119 S120 | K119-S147 PolarHBondContact N-O 3.07Å; S120-S147 PolarHBondContact O-N 2.87Å |
| 148 | G | 85 | Confident | 86.9 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.8 | 36.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T180 | G148-T180 PolarHBondContact N-O 2.88Å |
| 149 | S | 86.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 155.3 | -179.7 | 66.3 | 0 | 0 | 0 | 0 | 113.6 | V116 P151 A153 T180 H205 | V116-S149 CarbonylContact O-C 3.51Å; V116-S149 VanDerWaalsContact O-CA 3.28Å; V116-S149 WeakPolarHBondContact O-CA 3.47Å; S149-P151 CarbonylContact C-O 3.44Å; S149-P151 WeakPolarHBondContact CB-O 3.14Å; S149-P151 PolarHBondContact OG-O 2.96Å; S149-A153 PolarHBondContact OG-N 2.92Å; S149-T180 PolarHBondContact N-O 3.3Å; S149-T180 PolarHBondContact O-N 2.9Å; S149-T180 PolarHBondContact O-OG1 2.72Å; S149-T180 PolarHBondContact OG-O 3.32Å; S149-H205 WeakPolarHBondContact CB-NE2 3.49Å |
| 150 | R | 85.2 | Confident | 87.4 | Confident | 56 Ų | 56 | 38.9 Ų | 38.9 | 21% | 0.211 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -139.6 | 125.7 | 166.5 | -174.3 | 174.3 | -176.3 | -176.9 | 1.5 | 110.1 | N89 V114 L115 V116 L179 H205 | N89-R150 PolarHBondContact ND2-NH2 2.84Å; N89-R150 PolarHBondContact OD1-NH1 3.29Å; N89-R150 PolarHBondContact OD1-NH2 2.98Å; V114-R150 WeakPolarHBondContact O-CD 3.44Å; L115-R150 CarbonylContact C-O 3.59Å; L115-R150 WeakPolarHBondContact CA-O 3.24Å; V116-R150 HydrophobicContact CB-CB 4.11Å; V116-R150 HydrophobicContact CG2-CB 4.27Å; V116-R150 PolarHBondContact N-O 2.85Å; V116-R150 PolarHBondContact O-N 2.89Å; R150-L179 HydrophobicContact CB-CD2 4.2Å; R150-H205 VanDerWaalsContact C-CE1 3.42Å; R150-H205 WeakPolarHBondContact CA-NE2 3.12Å; R150-H205 PolarHBondContact N-NE2 2.85Å; R150-H205 PolarHBondContact O-CE1 3.13Å; R150-H205 PolarHBondContact O-NE2 2.81Å |
| 151 | P | 85.3 | Confident | 87.5 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 38% | 0.377 | 22% | 0.219 | S | C | . | . | S | Bend | cis | -60.5 | -172.3 | -13.4 | 32.8 | -39.6 | 0 | 0 | 0 | 111.2 | S149 H205 P206 | S149-P151 CarbonylContact C-O 3.44Å; S149-P151 WeakPolarHBondContact CB-O 3.14Å; S149-P151 PolarHBondContact OG-O 2.96Å; P151-H205 WeakPolarHBondContact CA-NE2 3.41Å; P151-H205 WeakPolarHBondContact CD-NE2 3.36Å; P151-H205 PolarHBondContact O-CD2 3.34Å; P151-H205 VanDerWaalsContact O-CD2 3.25Å; P151-H205 PolarHBondContact O-NE2 3Å; P151-P206 HydrophobicContact CG-CG 4.03Å |
| 152 | K | 85 | Confident | 87.8 | Confident | 102 Ų | 102 | 44.1 Ų | 44.1 | 44% | 0.443 | 23% | 0.23 | S | C | . | . | trans | -51 | 145.6 | 169.1 | 59.3 | -172 | 172.9 | -172.3 | 0 | 112.9 | E171 T180 T182 | K152-E171 HydrophobicContact CD-CG 3.86Å; K152-E171 VanDerWaalsContact CD-OE1 3.26Å; K152-E171 WeakPolarHBondContact CD-OE1 3.45Å; K152-E171 WeakPolarHBondContact CD-OE2 3.28Å; K152-E171 WeakPolarHBondContact CE-OE1 3.08Å; K152-E171 IonicContact NZ-OE1 2.79Å; K152-E171 PolarHBondContact NZ-OE1 3.49Å; K152-E171 IonicContact NZ-OE2 3.68Å; K152-E171 PolarHBondContact NZ-OE2 2.85Å; K152-T180 VanDerWaalsContact CA-OG1 3.24Å; K152-T180 WeakPolarHBondContact CA-OG1 3.22Å; K152-T180 PolarHBondContact N-OG1 2.93Å; K152-T182 WeakPolarHBondContact CB-OG1 3.49Å | ||
| 153 | A | 87.1 | Confident | 87.9 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | trans | -80.4 | 134.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P118 V146 S149 I155 T182 F204 | P118-A153 HydrophobicContact CG-CB 4.07Å; V146-A153 HydrophobicContact CB-CB 4.18Å; V146-A153 HydrophobicContact CG1-CB 3.48Å; V146-A153 VanDerWaalsContact CG1-CB 3.48Å; S149-A153 PolarHBondContact OG-N 2.92Å; A153-I155 PolarHBondContact O-N 2.68Å; A153-T182 PolarHBondContact N-OG1 2.87Å; A153-T182 VanDerWaalsContact N-OG1 3.14Å; A153-T182 WeakPolarHBondContact O-CG2 3.34Å; A153-F204 CarbonylContact C-O 3.45Å | ||
| 154 | D | 88.2 | Confident | 87.9 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 101.8 | 171.7 | 178.2 | 37.9 | 0 | 0 | 0 | 109.8 | R156 K169 F204 | D154-R156 IonicContact OD2-CZ 3.54Å; D154-R156 VanDerWaalsContact OD2-CZ 3.24Å; D154-R156 IonicContact OD2-NE 2.72Å; D154-R156 PolarHBondContact OD2-NE 3.16Å; D154-R156 IonicContact OD2-NH2 2.65Å; D154-R156 PolarHBondContact OD2-NH2 3.16Å; D154-K169 IonicContact OD1-NZ 2.77Å; D154-K169 PolarHBondContact OD1-NZ 3.47Å; D154-F204 HydrophobicContact CB-CB 4.2Å; D154-F204 PolarHBondContact N-O 2.76Å; D154-F204 PolarHBondContact O-N 2.9Å |
| 155 | I | 89.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130 | 177.8 | -60.5 | 171.7 | 0 | 0 | 0 | 110.4 | C144 V146 A153 K169 T182 C201 | C144-I155 HydrophobicContact CB-CG2 4.45Å; V146-I155 HydrophobicContact CB-CD1 4.01Å; V146-I155 HydrophobicContact CB-CG1 4.33Å; V146-I155 HydrophobicContact CG2-CD1 3.61Å; V146-I155 HydrophobicContact CG2-CG1 3.71Å; A153-I155 PolarHBondContact O-N 2.68Å; I155-K169 WeakPolarHBondContact O-CE 3.48Å; I155-K169 PolarHBondContact O-NZ 3.09Å; I155-T182 HydrophobicContact CD1-CG2 4.04Å; I155-T182 WeakPolarHBondContact CD1-O 3.34Å; I155-T182 HydrophobicContact CG1-CG2 4.47Å; I155-C201 WeakPolarHBondContact CG2-SG 3.42Å |
| 156 | R | 89.9 | Confident | 86.2 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.8 | 173.1 | -53.3 | -175.1 | -169 | 176.4 | 3.4 | 110.7 | D154 Y158 Q163 Q202 F204 | D154-R156 IonicContact OD2-CZ 3.54Å; D154-R156 VanDerWaalsContact OD2-CZ 3.24Å; D154-R156 IonicContact OD2-NE 2.72Å; D154-R156 PolarHBondContact OD2-NE 3.16Å; D154-R156 IonicContact OD2-NH2 2.65Å; D154-R156 PolarHBondContact OD2-NH2 3.16Å; R156-Y158 HydrophobicContact CB-CE2 3.88Å; R156-Q163 HydrophobicContact CB-CG 4.44Å; R156-Q202 PolarHBondContact N-O 3.16Å; R156-Q202 PolarHBondContact O-N 2.82Å; R156-F204 HydrophobicContact CB-CD2 4.36Å; R156-F204 HydrophobicContact CB-CE2 4Å; R156-F204 HydrophobicContact CG-CD2 3.87Å; R156-F204 HydrophobicContact CG-CE2 3.88Å |
| 157 | W | 90.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 146.7 | 178.6 | -71.8 | 100.5 | 0 | 0 | 0 | 110.4 | L123 T142 C144 Q163 I164 S184 L186 T200 C201 F218 | L123-W157 HydrophobicContact CD2-CH2 3.42Å; L123-W157 VanDerWaalsContact CD2-CH2 3.42Å; L123-W157 HydrophobicContact CD2-CZ3 3.8Å; T142-W157 HydrophobicContact CG2-CH2 3.65Å; T142-W157 HydrophobicContact CG2-CZ2 4.3Å; T142-W157 HydrophobicContact CG2-CZ3 4.18Å; C144-W157 HydrophobicContact CB-CH2 3.67Å; C144-W157 HydrophobicContact CB-CZ2 3.4Å; C144-W157 VanDerWaalsContact CB-CZ2 3.4Å; W157-Q163 CarbonylContact O-C 3.58Å; W157-Q163 WeakPolarHBondContact O-CA 3.46Å; W157-Q163 WeakPolarHBondContact O-CG 3.49Å; W157-I164 HydrophobicContact CB-CD1 4.02Å; W157-I164 HydrophobicContact CB-CG1 3.62Å; W157-I164 PolarHBondContact O-N 2.82Å; W157-S184 WeakPolarHBondContact CZ2-O 3.38Å; W157-S184 PolarHBondContact NE1-OG 3.49Å; W157-L186 HydrophobicContact CD2-CB 3.87Å; W157-L186 HydrophobicContact CD2-CD2 3.92Å; W157-L186 HydrophobicContact CD2-CG 4.39Å; W157-L186 HydrophobicContact CE3-CB 4.34Å; W157-L186 HydrophobicContact CE3-CD2 3.71Å; W157-L186 HydrophobicContact CG-CB 4.31Å; W157-L186 HydrophobicContact CG-CD2 4.41Å; W157-L186 HydrophobicContact CH2-CB 4.1Å; W157-L186 HydrophobicContact CH2-CD2 4.42Å; W157-L186 HydrophobicContact CZ2-CB 3.63Å; W157-L186 HydrophobicContact CZ3-CB 4.44Å; W157-L186 HydrophobicContact CZ3-CD2 3.99Å; W157-T200 CarbonylContact C-O 3.56Å; W157-T200 WeakPolarHBondContact CA-O 3.24Å; W157-C201 HydrophobicContact CD2-CB 4.3Å; W157-C201 HydrophobicContact CE3-CB 3.84Å; W157-C201 HydrophobicContact CH2-CB 3.95Å; W157-C201 HydrophobicContact CZ2-CB 4.36Å; W157-C201 HydrophobicContact CZ3-CB 3.65Å; W157-F218 HydrophobicContact CZ3-CE1 4.06Å |
| 158 | Y | 90.5 | Very high | 84.2 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 13% | 0.129 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.5 | 177.7 | -61.6 | -102.1 | 0 | 0 | 0 | 110.1 | R156 G161 L162 Q163 F199 T200 Q202 F204 | R156-Y158 HydrophobicContact CB-CE2 3.88Å; Y158-G161 WeakPolarHBondContact CD1-O 3.43Å; Y158-L162 CarbonylContact C-O 3.58Å; Y158-L162 WeakPolarHBondContact CA-O 3.44Å; Y158-Q163 VanDerWaalsContact CD1-CA 3.48Å; Y158-Q163 HydrophobicContact CD1-CB 3.84Å; Y158-Q163 HydrophobicContact CD1-CG 4.34Å; Y158-Q163 HydrophobicContact CE1-CB 3.56Å; Y158-Q163 HydrophobicContact CE1-CG 3.91Å; Y158-Q163 HydrophobicContact CE2-CG 4.46Å; Y158-Q163 PolarHBondContact OH-OE1 3.16Å; Y158-F199 CarbonylContact O-C 3.59Å; Y158-F199 VanDerWaalsContact O-CA 3.29Å; Y158-F199 WeakPolarHBondContact O-CA 3.37Å; Y158-T200 PolarHBondContact N-O 2.97Å; Y158-T200 PolarHBondContact O-N 2.82Å; Y158-Q202 HydrophobicContact CD2-CB 4.28Å; Y158-Q202 HydrophobicContact CE2-CB 3.92Å; Y158-F204 HydrophobicContact CE2-CE2 4.44Å |
| 159 | K | 90 | Very high | 83.4 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.6 | 168.3 | 177.3 | -169.9 | 164.8 | -169.6 | 0 | 108 | G161 L162 I164 W188 D194 A197 F199 | K159-G161 PolarHBondContact O-N 2.88Å; K159-G161 VanDerWaalsContact O-N 3.12Å; K159-L162 PolarHBondContact N-O 2.8Å; K159-L162 PolarHBondContact O-N 2.84Å; K159-I164 HydrophobicContact CB-CD1 4.42Å; K159-I164 HydrophobicContact CB-CG2 3.94Å; K159-W188 HydrophobicContact CD-CH2 4.28Å; K159-W188 HydrophobicContact CD-CZ2 3.88Å; K159-D194 WeakPolarHBondContact CE-OD1 3.14Å; K159-D194 IonicContact NZ-OD1 3.45Å; K159-D194 PolarHBondContact NZ-OD1 3.18Å; K159-A197 HydrophobicContact CG-CB 4.25Å; K159-F199 HydrophobicContact CB-CD1 4.35Å; K159-F199 HydrophobicContact CB-CE1 4.05Å; K159-F199 HydrophobicContact CB-CZ 4.36Å; K159-F199 HydrophobicContact CD-CZ 4.11Å; K159-F199 HydrophobicContact CG-CE1 4.21Å; K159-F199 HydrophobicContact CG-CE2 4.34Å; K159-F199 HydrophobicContact CG-CZ 4Å |
| 160 | N | 88.5 | Confident | 82.6 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 32.8 | -177.8 | -61.5 | -17.6 | 0 | 0 | 0 | 113.6 | A197 L198 | N160-A197 VanDerWaalsContact OD1-CA 3.29Å; N160-A197 WeakPolarHBondContact OD1-CA 3.18Å; N160-L198 PolarHBondContact N-O 3.43Å; N160-L198 PolarHBondContact OD1-N 2.71Å |
| 161 | G | 85.5 | Confident | 81.7 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 63% | 0.629 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -7.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y158 K159 | Y158-G161 WeakPolarHBondContact CD1-O 3.43Å; K159-G161 PolarHBondContact O-N 2.88Å; K159-G161 VanDerWaalsContact O-N 3.12Å |
| 162 | L | 89.9 | Confident | 80.8 | Confident | 129 Ų | 129 | 68.4 Ų | 68.4 | 68% | 0.675 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.2 | 172.5 | -175 | 69.9 | 0 | 0 | 0 | 110.4 | Y158 K159 | Y158-L162 CarbonylContact C-O 3.58Å; Y158-L162 WeakPolarHBondContact CA-O 3.44Å; K159-L162 PolarHBondContact N-O 2.8Å; K159-L162 PolarHBondContact O-N 2.84Å |
| 163 | Q | 87.2 | Confident | 79.8 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 136.1 | 178.4 | -162.3 | -177.8 | -62.2 | 0 | 0 | 110.7 | R156 W157 Y158 | R156-Q163 HydrophobicContact CB-CG 4.44Å; W157-Q163 CarbonylContact O-C 3.58Å; W157-Q163 WeakPolarHBondContact O-CA 3.46Å; W157-Q163 WeakPolarHBondContact O-CG 3.49Å; Y158-Q163 VanDerWaalsContact CD1-CA 3.48Å; Y158-Q163 HydrophobicContact CD1-CB 3.84Å; Y158-Q163 HydrophobicContact CD1-CG 4.34Å; Y158-Q163 HydrophobicContact CE1-CB 3.56Å; Y158-Q163 HydrophobicContact CE1-CG 3.91Å; Y158-Q163 HydrophobicContact CE2-CG 4.46Å; Y158-Q163 PolarHBondContact OH-OE1 3.16Å |
| 164 | I | 86.5 | Confident | 78.5 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.7 | 176.6 | 57.7 | 169.4 | 0 | 0 | 0 | 110.6 | W157 K159 D166 L186 W188 F199 | W157-I164 HydrophobicContact CB-CD1 4.02Å; W157-I164 HydrophobicContact CB-CG1 3.62Å; W157-I164 PolarHBondContact O-N 2.82Å; K159-I164 HydrophobicContact CB-CD1 4.42Å; K159-I164 HydrophobicContact CB-CG2 3.94Å; I164-D166 PolarHBondContact O-N 3.35Å; I164-L186 HydrophobicContact CD1-CD1 3.84Å; I164-L186 HydrophobicContact CD1-CD2 4.29Å; I164-W188 HydrophobicContact CB-CZ3 4.14Å; I164-W188 HydrophobicContact CD1-CE3 3.77Å; I164-W188 HydrophobicContact CD1-CH2 4.47Å; I164-W188 HydrophobicContact CD1-CZ3 3.64Å; I164-W188 HydrophobicContact CG1-CZ3 4.48Å; I164-W188 HydrophobicContact CG2-CH2 4.19Å; I164-W188 HydrophobicContact CG2-CZ3 4.09Å; I164-F199 HydrophobicContact CD1-CD1 4.05Å; I164-F199 HydrophobicContact CD1-CE1 3.83Å |
| 165 | D | 76.2 | Confident | 77.1 | Confident | 167 Ų | 167 | 81 Ų | 81 | 89% | 0.893 | 42% | 0.421 | S | S | * | . | trans | -104.1 | 45.7 | -167.3 | -140.7 | 23.3 | 0 | 0 | 0 | 112.1 | ||||
| 166 | D | 66.5 | Low | 75.6 | Confident | 60 Ų | 60 | 85 Ų | 85 | 32% | 0.321 | 46% | 0.462 | S | S | . | . | trans | -127 | 32.1 | -164.8 | -169.6 | 32.9 | 0 | 0 | 0 | 113.7 | I164 L186 W188 | I164-D166 PolarHBondContact O-N 3.35Å; D166-L186 HydrophobicContact CB-CD1 3.83Å; D166-L186 WeakPolarHBondContact O-CA 3.49Å; D166-L186 WeakPolarHBondContact O-CD1 3.48Å; D166-L186 WeakPolarHBondContact OD2-CD1 3.37Å; D166-W188 HydrophobicContact CB-CE3 4.43Å | ||
| 167 | G | 63.7 | Low | 74.1 | Confident | 28 Ų | 28 | 84.5 Ų | 84.5 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 113.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K169 | G167-K169 PolarHBondContact O-N 3.17Å |
| 168 | T | 71.5 | Confident | 73.2 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 41% | 0.405 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 110.3 | 166.7 | 38.2 | 0 | 0 | 0 | 0 | 110.2 | R185 R187 | T168-R185 PolarHBondContact N-O 3.42Å; T168-R185 PolarHBondContact O-N 2.71Å; T168-R185 PolarHBondContact OG1-O 2.85Å; T168-R187 PolarHBondContact OG1-NH1 2.84Å |
| 169 | K | 67.4 | Low | 72.8 | Confident | 105 Ų | 105 | 88.3 Ų | 88.3 | 46% | 0.457 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.5 | 179.1 | -59.6 | 178.7 | -171.8 | 178.2 | 0 | 110 | D154 I155 G167 I183 | D154-K169 IonicContact OD1-NZ 2.77Å; D154-K169 PolarHBondContact OD1-NZ 3.47Å; I155-K169 WeakPolarHBondContact O-CE 3.48Å; I155-K169 PolarHBondContact O-NZ 3.09Å; G167-K169 PolarHBondContact O-N 3.17Å; K169-I183 CarbonylContact C-O 3.58Å; K169-I183 WeakPolarHBondContact CA-O 3.23Å |
| 170 | L | 70.5 | Confident | 72.5 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140 | 174.9 | -91.8 | 139.6 | 0 | 0 | 0 | 108.7 | I183 | L170-I183 HydrophobicContact CB-CB 4.37Å; L170-I183 PolarHBondContact N-O 3.25Å; L170-I183 PolarHBondContact O-N 2.94Å |
| 171 | E | 66.4 | Low | 72.3 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.5 | -176.8 | -72.9 | 156.1 | -138.1 | 0 | 0 | 109 | K152 T182 | K152-E171 HydrophobicContact CD-CG 3.86Å; K152-E171 VanDerWaalsContact CD-OE1 3.26Å; K152-E171 WeakPolarHBondContact CD-OE1 3.45Å; K152-E171 WeakPolarHBondContact CD-OE2 3.28Å; K152-E171 WeakPolarHBondContact CE-OE1 3.08Å; K152-E171 IonicContact NZ-OE1 2.79Å; K152-E171 PolarHBondContact NZ-OE1 3.49Å; K152-E171 IonicContact NZ-OE2 3.68Å; K152-E171 PolarHBondContact NZ-OE2 2.85Å; E171-T182 HydrophobicContact CG-CG2 4.48Å |
| 172 | E | 67.3 | Low | 72.4 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 109.4 | -179 | -171.1 | 167.4 | -135.2 | 0 | 0 | 108.4 | R145 T181 I183 | R145-E172 IonicContact CZ-OE2 2.71Å; R145-E172 IonicContact NH1-OE2 3.72Å; R145-E172 PolarHBondContact NH1-OE2 2.89Å; R145-E172 IonicContact NH2-OE2 3.42Å; E172-T181 PolarHBondContact N-O 2.84Å; E172-T181 WeakPolarHBondContact O-CB 3.46Å; E172-T181 PolarHBondContact O-N 2.86Å; E172-I183 HydrophobicContact CB-CD1 4.38Å |
| 173 | T | 63.6 | Low | 72.3 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.1 | 176.6 | -48.3 | 0 | 0 | 0 | 0 | 107.9 | T180 | T173-T180 HydrophobicContact CG2-CG2 4.42Å |
| 174 | S | 59.8 | Low | 72.3 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | trans | -73.6 | 140.9 | -177.3 | -164.8 | 0 | 0 | 0 | 0 | 110.9 | G176 D177 | S174-G176 PolarHBondContact O-N 3.04Å; S174-D177 PolarHBondContact O-N 2.88Å | ||
| 175 | R | 57.4 | Low | 72.4 | Confident | 254 Ų | 254 | 74 Ų | 74 | 96% | 0.958 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 110.8 | -178.9 | -82.5 | -169.9 | 176.4 | -159.7 | 0.6 | 110.6 | ||
| 176 | G | 58.2 | Low | 72.8 | Confident | 85 Ų | 85 | 66 Ų | 66 | 88% | 0.876 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | -14.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S174 | S174-G176 PolarHBondContact O-N 3.04Š|
| 177 | D | 58.6 | Low | 73.8 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | trans | -86.8 | 129 | 170.3 | -163.6 | -10.8 | 0 | 0 | 0 | 109.5 | S174 L179 | S174-D177 PolarHBondContact O-N 2.88Å; D177-L179 PolarHBondContact O-N 3.21Å; D177-L179 WeakPolarHBondContact OD1-CB 3.49Å; D177-L179 WeakPolarHBondContact OD1-CG 3.24Å; D177-L179 PolarHBondContact OD1-N 2.94Å | ||
| 178 | K | 72.1 | Confident | 74.9 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -77 | -4.3 | 174.5 | -77.6 | 178.5 | 173.1 | 179.8 | 0 | 112 | L86 | L86-K178 HydrophobicContact CD1-CB 4.09Å; L86-K178 HydrophobicContact CD1-CD 4.38Å; L86-K178 HydrophobicContact CD2-CB 3.63Å; L86-K178 HydrophobicContact CD2-CD 4.42Å; L86-K178 HydrophobicContact CG-CB 3.84Å; L86-K178 HydrophobicContact CG-CD 3.86Å; L86-K178 PolarHBondContact O-NZ 3.39Å |
| 179 | L | 82.7 | Confident | 75.6 | Confident | 10 Ų | 10 | 69 Ų | 69 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | trans | -95.5 | 146.7 | 179 | -56.8 | 176.1 | 0 | 0 | 0 | 112.4 | L86 V116 R150 D177 | L86-L179 HydrophobicContact CD2-CD2 3.67Å; L86-L179 HydrophobicContact CD2-CG 3.99Å; V116-L179 HydrophobicContact CB-CD2 3.61Å; V116-L179 HydrophobicContact CG1-CD2 3.67Å; V116-L179 HydrophobicContact CG2-CD2 3.79Å; R150-L179 HydrophobicContact CB-CD2 4.2Å; D177-L179 PolarHBondContact O-N 3.21Å; D177-L179 WeakPolarHBondContact OD1-CB 3.49Å; D177-L179 WeakPolarHBondContact OD1-CG 3.24Å; D177-L179 PolarHBondContact OD1-N 2.94Å | ||
| 180 | T | 82.8 | Confident | 76.5 | Confident | 25 Ų | 25 | 64 Ų | 64 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.5 | 177.6 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | G148 S149 K152 T173 | G148-T180 PolarHBondContact N-O 2.88Å; S149-T180 PolarHBondContact N-O 3.3Å; S149-T180 PolarHBondContact O-N 2.9Å; S149-T180 PolarHBondContact O-OG1 2.72Å; S149-T180 PolarHBondContact OG-O 3.32Å; K152-T180 VanDerWaalsContact CA-OG1 3.24Å; K152-T180 WeakPolarHBondContact CA-OG1 3.22Å; K152-T180 PolarHBondContact N-OG1 2.93Å; T173-T180 HydrophobicContact CG2-CG2 4.42Å |
| 181 | T | 84.2 | Confident | 77.2 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 17% | 0.166 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.8 | 165 | -63.3 | 0 | 0 | 0 | 0 | 107.9 | R145 V146 E172 I183 | R145-T181 HydrophobicContact CG-CG2 3.62Å; V146-T181 CarbonylContact O-C 3.58Å; V146-T181 WeakPolarHBondContact O-CA 3.3Å; E172-T181 PolarHBondContact N-O 2.84Å; E172-T181 WeakPolarHBondContact O-CB 3.46Å; E172-T181 PolarHBondContact O-N 2.86Å; T181-I183 HydrophobicContact CG2-CG1 4.29Å |
| 182 | T | 87.5 | Confident | 78 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.9 | 175.2 | -42.4 | 0 | 0 | 0 | 0 | 108.9 | V146 K152 A153 I155 E171 | V146-T182 PolarHBondContact N-O 2.86Å; V146-T182 PolarHBondContact O-N 2.99Å; K152-T182 WeakPolarHBondContact CB-OG1 3.49Å; A153-T182 PolarHBondContact N-OG1 2.87Å; A153-T182 VanDerWaalsContact N-OG1 3.14Å; A153-T182 WeakPolarHBondContact O-CG2 3.34Å; I155-T182 HydrophobicContact CD1-CG2 4.04Å; I155-T182 WeakPolarHBondContact CD1-O 3.34Å; I155-T182 HydrophobicContact CG1-CG2 4.47Å; E171-T182 HydrophobicContact CG-CG2 4.48Å |
| 183 | I | 87.3 | Confident | 78.8 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.6 | 179.1 | -55 | 163.7 | 0 | 0 | 0 | 107.1 | E143 C144 R145 K169 L170 E172 T181 R185 | E143-I183 HydrophobicContact CB-CG2 4.13Å; C144-I183 CarbonylContact O-C 3.58Å; C144-I183 WeakPolarHBondContact O-CA 3.26Å; R145-I183 HydrophobicContact CB-CG1 4.47Å; R145-I183 HydrophobicContact CG-CG1 4.15Å; R145-I183 VanDerWaalsContact NH2-CD1 3.3Å; K169-I183 CarbonylContact C-O 3.58Å; K169-I183 WeakPolarHBondContact CA-O 3.23Å; L170-I183 HydrophobicContact CB-CB 4.37Å; L170-I183 PolarHBondContact N-O 3.25Å; L170-I183 PolarHBondContact O-N 2.94Å; E172-I183 HydrophobicContact CB-CD1 4.38Å; T181-I183 HydrophobicContact CG2-CG1 4.29Å; I183-R185 HydrophobicContact CG2-CG 4.32Å |
| 184 | S | 88.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.6 | 170.9 | -170 | 0 | 0 | 0 | 0 | 109.5 | C144 W157 | C144-S184 PolarHBondContact N-O 2.73Å; C144-S184 PolarHBondContact O-N 2.97Å; W157-S184 WeakPolarHBondContact CZ2-O 3.38Å; W157-S184 PolarHBondContact NE1-OG 3.49Å |
| 185 | R | 87.2 | Confident | 81 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 106.6 | 176.9 | -65.5 | -179.3 | 158.2 | 152.4 | -4 | 109.3 | T142 E143 T168 I183 | T142-R185 WeakPolarHBondContact O-CA 3.46Å; E143-R185 HydrophobicContact CG-CG 4.08Å; E143-R185 IonicContact OE1-CZ 3.1Å; E143-R185 IonicContact OE1-NE 2.65Å; E143-R185 PolarHBondContact OE1-NE 2.82Å; E143-R185 IonicContact OE1-NH2 2.67Å; E143-R185 PolarHBondContact OE1-NH2 3.01Å; E143-R185 IonicContact OE2-NE 2.68Å; E143-R185 IonicContact OE2-NH2 2.89Å; T168-R185 PolarHBondContact N-O 3.42Å; T168-R185 PolarHBondContact O-N 2.71Å; T168-R185 PolarHBondContact OG1-O 2.85Å; I183-R185 HydrophobicContact CG2-CG 4.32Å |
| 186 | L | 86.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 130.1 | 169.7 | 173.1 | 64.2 | 0 | 0 | 0 | 109 | F140 V141 T142 W157 I164 D166 W188 F199 | F140-L186 HydrophobicContact CE2-CD2 4.41Å; V141-L186 WeakPolarHBondContact CA-O 3.28Å; T142-L186 HydrophobicContact CG2-CB 3.95Å; T142-L186 HydrophobicContact CG2-CD2 4.15Å; T142-L186 HydrophobicContact CG2-CG 4.4Å; T142-L186 PolarHBondContact N-O 3.19Å; T142-L186 VanDerWaalsContact N-O 3.09Å; T142-L186 PolarHBondContact O-N 3.38Å; W157-L186 HydrophobicContact CD2-CB 3.87Å; W157-L186 HydrophobicContact CD2-CD2 3.92Å; W157-L186 HydrophobicContact CD2-CG 4.39Å; W157-L186 HydrophobicContact CE3-CB 4.34Å; W157-L186 HydrophobicContact CE3-CD2 3.71Å; W157-L186 HydrophobicContact CG-CB 4.31Å; W157-L186 HydrophobicContact CG-CD2 4.41Å; W157-L186 HydrophobicContact CH2-CB 4.1Å; W157-L186 HydrophobicContact CH2-CD2 4.42Å; W157-L186 HydrophobicContact CZ2-CB 3.63Å; W157-L186 HydrophobicContact CZ3-CB 4.44Å; W157-L186 HydrophobicContact CZ3-CD2 3.99Å; I164-L186 HydrophobicContact CD1-CD1 3.84Å; I164-L186 HydrophobicContact CD1-CD2 4.29Å; D166-L186 HydrophobicContact CB-CD1 3.83Å; D166-L186 WeakPolarHBondContact O-CA 3.49Å; D166-L186 WeakPolarHBondContact O-CD1 3.48Å; D166-L186 WeakPolarHBondContact OD2-CD1 3.37Å; L186-W188 HydrophobicContact CD1-CB 4.27Å; L186-W188 HydrophobicContact CD1-CE3 4.21Å; L186-W188 HydrophobicContact CD2-CB 4.47Å; L186-W188 HydrophobicContact CG-CB 4.18Å; L186-F199 HydrophobicContact CD2-CD1 3.69Å; L186-F199 HydrophobicContact CD2-CE1 4.1Å |
| 187 | R | 85.9 | Confident | 83.8 | Confident | 104 Ų | 104 | 47.4 Ų | 47.4 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | trans | -119.5 | 63.6 | 179.7 | -72.1 | -151.9 | 174.6 | 92.1 | -8.1 | 111.7 | Q139 F140 V141 T168 | Q139-R187 HydrophobicContact CG-CB 4.39Å; Q139-R187 WeakPolarHBondContact CG-O 3.43Å; Q139-R187 PolarHBondContact NE2-O 3.37Å; F140-R187 CarbonylContact O-C 3.55Å; F140-R187 WeakPolarHBondContact O-CA 3.44Å; V141-R187 HydrophobicContact CG1-CG 4.23Å; V141-R187 HydrophobicContact CG2-CG 4.04Å; T168-R187 PolarHBondContact OG1-NH1 2.84Å | ||
| 188 | W | 87.4 | Confident | 85.3 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 17% | 0.167 | 23% | 0.234 | C | C | . | . | trans | -81.4 | 130.1 | -172.5 | -166.5 | -92.5 | 0 | 0 | 0 | 113.3 | Q139 F140 K159 I164 D166 L186 A190 D194 F199 | Q139-W188 CarbonylContact C-O 3.59Å; Q139-W188 WeakPolarHBondContact CA-O 3.17Å; F140-W188 HydrophobicContact CD1-CB 4.29Å; F140-W188 WeakPolarHBondContact CD1-O 3.35Å; F140-W188 HydrophobicContact CE1-CB 3.67Å; F140-W188 AromaticContact CE1-CD1 3.79Å; F140-W188 HydrophobicContact CE1-CG 4.06Å; F140-W188 HydrophobicContact CE2-CB 4.12Å; F140-W188 HydrophobicContact CZ-CB 3.58Å; F140-W188 HydrophobicContact CZ-CG 4.16Å; F140-W188 PolarHBondContact N-O 2.85Å; F140-W188 PolarHBondContact O-N 2.79Å; F140-W188 VanDerWaalsContact O-N 3.15Å; K159-W188 HydrophobicContact CD-CH2 4.28Å; K159-W188 HydrophobicContact CD-CZ2 3.88Å; I164-W188 HydrophobicContact CB-CZ3 4.14Å; I164-W188 HydrophobicContact CD1-CE3 3.77Å; I164-W188 HydrophobicContact CD1-CH2 4.47Å; I164-W188 HydrophobicContact CD1-CZ3 3.64Å; I164-W188 HydrophobicContact CG1-CZ3 4.48Å; I164-W188 HydrophobicContact CG2-CH2 4.19Å; I164-W188 HydrophobicContact CG2-CZ3 4.09Å; D166-W188 HydrophobicContact CB-CE3 4.43Å; L186-W188 HydrophobicContact CD1-CB 4.27Å; L186-W188 HydrophobicContact CD1-CE3 4.21Å; L186-W188 HydrophobicContact CD2-CB 4.47Å; L186-W188 HydrophobicContact CG-CB 4.18Å; W188-A190 PolarHBondContact O-N 2.85Å; W188-D194 PolarHBondContact NE1-OD2 3.4Å; W188-F199 HydrophobicContact CB-CE1 4.43Å; W188-F199 AromaticContact CD1-CZ 3.72Å; W188-F199 AromaticContact CD2-CE1 3.79Å; W188-F199 HydrophobicContact CD2-CE1 3.79Å; W188-F199 AromaticContact CD2-CZ 3.88Å; W188-F199 HydrophobicContact CD2-CZ 3.88Å; W188-F199 AromaticContact CE2-CZ 3.8Å; W188-F199 HydrophobicContact CE3-CE1 4.16Å; W188-F199 AromaticContact CG-CE1 3.91Å; W188-F199 HydrophobicContact CG-CE1 3.91Å; W188-F199 AromaticContact CG-CZ 3.83Å; W188-F199 HydrophobicContact CG-CZ 3.83Å; W188-F199 HydrophobicContact CZ2-CZ 4.46Å; W188-F199 AromaticContact NE1-CZ 3.71Å | ||
| 189 | T | 86.2 | Confident | 86.2 | Confident | 67 Ų | 67 | 41.7 Ų | 41.7 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -87.5 | 104 | 170.7 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 190 | A | 86.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -66.9 | 136.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T134 G137 R138 F140 W188 D194 L220 V222 | T134-A190 HydrophobicContact CG2-CB 3.38Å; G137-A190 PolarHBondContact N-O 3.18Å; R138-A190 PolarHBondContact O-N 3.44Å; R138-A190 VanDerWaalsContact O-N 3.07Å; F140-A190 HydrophobicContact CD1-CB 4.38Å; W188-A190 PolarHBondContact O-N 2.85Å; A190-D194 WeakPolarHBondContact CA-OD2 3.17Å; A190-L220 HydrophobicContact CB-CD2 3.98Å; A190-V222 HydrophobicContact CB-CG1 4.3Å; A190-V222 HydrophobicContact CB-CG2 4.02Å | ||
| 191 | R | 85.8 | Confident | 86.8 | Confident | 141 Ų | 141 | 40.9 Ų | 40.9 | 53% | 0.532 | 21% | 0.208 | S | C | . | . | trans | -118.2 | 161.2 | 175.1 | -56.5 | 174.4 | -179.2 | -170.8 | -0.9 | 109.9 | E193 D194 V222 | R191-E193 HydrophobicContact CB-CG 3.68Å; R191-E193 WeakPolarHBondContact CD-OE1 3.48Å; R191-E193 IonicContact CZ-OE1 2.71Å; R191-E193 IonicContact NE-OE1 3.42Å; R191-E193 IonicContact NH1-OE1 3.54Å; R191-E193 PolarHBondContact NH1-OE1 2.8Å; R191-E193 PolarHBondContact O-N 2.99Å; R191-D194 PolarHBondContact N-OD2 3.03Å; R191-D194 WeakPolarHBondContact O-CB 3.42Å; R191-D194 PolarHBondContact O-N 2.98Å; R191-V222 WeakPolarHBondContact O-CG1 3.45Å | ||
| 192 | S | 83.1 | Confident | 87.1 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 42% | 0.42 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -59 | -29.7 | 175.2 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | S136 D194 D195 Y224 | S136-S192 PolarHBondContact OG-N 2.84Å; S192-D194 PolarHBondContact O-N 3.15Å; S192-D195 WeakPolarHBondContact O-CB 3.23Å; S192-D195 PolarHBondContact O-N 3.21Å; S192-Y224 VanDerWaalsContact CB-CD1 3.5Å |
| 193 | E | 83.6 | Confident | 87.2 | Confident | 127 Ų | 127 | 41.2 Ų | 41.2 | 59% | 0.593 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -72.3 | -9.6 | 172.4 | 63 | -172.7 | -168.5 | 0 | 0 | 114.5 | R191 | R191-E193 HydrophobicContact CB-CG 3.68Å; R191-E193 WeakPolarHBondContact CD-OE1 3.48Å; R191-E193 IonicContact CZ-OE1 2.71Å; R191-E193 IonicContact NE-OE1 3.42Å; R191-E193 IonicContact NH1-OE1 3.54Å; R191-E193 PolarHBondContact NH1-OE1 2.8Å; R191-E193 PolarHBondContact O-N 2.99Å |
| 194 | D | 85.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -92.6 | -0.2 | 174.2 | -54.5 | -35 | 0 | 0 | 0 | 112.4 | K159 W188 A190 R191 S192 G196 A197 L220 V222 | K159-D194 WeakPolarHBondContact CE-OD1 3.14Å; K159-D194 IonicContact NZ-OD1 3.45Å; K159-D194 PolarHBondContact NZ-OD1 3.18Å; W188-D194 PolarHBondContact NE1-OD2 3.4Å; A190-D194 WeakPolarHBondContact CA-OD2 3.17Å; R191-D194 PolarHBondContact N-OD2 3.03Å; R191-D194 WeakPolarHBondContact O-CB 3.42Å; R191-D194 PolarHBondContact O-N 2.98Å; S192-D194 PolarHBondContact O-N 3.15Å; D194-G196 PolarHBondContact O-N 2.84Å; D194-A197 HydrophobicContact CB-CB 4.47Å; D194-A197 WeakPolarHBondContact O-CB 3.4Å; D194-A197 PolarHBondContact O-N 2.82Å; D194-L220 HydrophobicContact CB-CD2 3.68Å; D194-V222 HydrophobicContact CB-CG2 4.21Å |
| 195 | D | 84.4 | Confident | 87.3 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 130.6 | 179.4 | -167.7 | 34.7 | 0 | 0 | 0 | 111.6 | S192 A197 A221 V222 Y224 N255 | S192-D195 WeakPolarHBondContact O-CB 3.23Å; S192-D195 PolarHBondContact O-N 3.21Å; D195-A197 PolarHBondContact O-N 2.76Å; D195-A221 WeakPolarHBondContact OD1-CA 3.46Å; D195-V222 HydrophobicContact CB-CB 4.08Å; D195-V222 HydrophobicContact CB-CG2 4.43Å; D195-V222 PolarHBondContact OD1-N 3.05Å; D195-Y224 HydrophobicContact CB-CE1 4.16Å; D195-N255 PolarHBondContact OD1-ND2 2.94Å; D195-N255 PolarHBondContact OD2-ND2 3.19Å |
| 196 | G | 84.5 | Confident | 87.2 | Confident | 53 Ų | 53 | 44 Ų | 44 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -0.6 | -170 | 0 | 0 | 0 | 0 | 0 | 115.3 | D194 L198 L220 | D194-G196 PolarHBondContact O-N 2.84Å; G196-L198 PolarHBondContact O-N 3.33Å; G196-L220 VanDerWaalsContact CA-O 3.26Å; G196-L220 WeakPolarHBondContact CA-O 3.34Å; G196-L220 PolarHBondContact N-O 2.93Å |
| 197 | A | 89.1 | Confident | 87.2 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | trans | -66.1 | 133.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K159 N160 D194 D195 F199 T219 L220 | K159-A197 HydrophobicContact CG-CB 4.25Å; N160-A197 VanDerWaalsContact OD1-CA 3.29Å; N160-A197 WeakPolarHBondContact OD1-CA 3.18Å; D194-A197 HydrophobicContact CB-CB 4.47Å; D194-A197 WeakPolarHBondContact O-CB 3.4Å; D194-A197 PolarHBondContact O-N 2.82Å; D195-A197 PolarHBondContact O-N 2.76Å; A197-F199 HydrophobicContact CB-CD2 4.43Å; A197-F199 HydrophobicContact CB-CE2 3.98Å; A197-T219 WeakPolarHBondContact O-CA 3.34Å; A197-L220 PolarHBondContact O-N 2.84Å | ||
| 198 | L | 90.3 | Very high | 87.2 | Confident | 63 Ų | 63 | 41.2 Ų | 41.2 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 108.8 | 177.5 | -175.2 | 71.4 | 0 | 0 | 0 | 109.8 | N160 G196 N217 T219 | N160-L198 PolarHBondContact N-O 3.43Å; N160-L198 PolarHBondContact OD1-N 2.71Å; G196-L198 PolarHBondContact O-N 3.33Å; L198-N217 HydrophobicContact CD1-CB 3.94Å; L198-N217 HydrophobicContact CG-CB 4.33Å; L198-T219 HydrophobicContact CB-CG2 4.49Å; L198-T219 HydrophobicContact CD1-CG2 3.61Å |
| 199 | F | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.6 | 173.1 | -76.6 | -96.1 | 0 | 0 | 0 | 109.7 | F140 Y158 K159 I164 L186 W188 A197 N217 F218 L220 | F140-F199 HydrophobicContact CZ-CE1 4.49Å; F140-F199 HydrophobicContact CZ-CE2 4.36Å; F140-F199 HydrophobicContact CZ-CZ 4.32Å; Y158-F199 CarbonylContact O-C 3.59Å; Y158-F199 VanDerWaalsContact O-CA 3.29Å; Y158-F199 WeakPolarHBondContact O-CA 3.37Å; K159-F199 HydrophobicContact CB-CD1 4.35Å; K159-F199 HydrophobicContact CB-CE1 4.05Å; K159-F199 HydrophobicContact CB-CZ 4.36Å; K159-F199 HydrophobicContact CD-CZ 4.11Å; K159-F199 HydrophobicContact CG-CE1 4.21Å; K159-F199 HydrophobicContact CG-CE2 4.34Å; K159-F199 HydrophobicContact CG-CZ 4Å; I164-F199 HydrophobicContact CD1-CD1 4.05Å; I164-F199 HydrophobicContact CD1-CE1 3.83Å; L186-F199 HydrophobicContact CD2-CD1 3.69Å; L186-F199 HydrophobicContact CD2-CE1 4.1Å; W188-F199 HydrophobicContact CB-CE1 4.43Å; W188-F199 AromaticContact CD1-CZ 3.72Å; W188-F199 AromaticContact CD2-CE1 3.79Å; W188-F199 HydrophobicContact CD2-CE1 3.79Å; W188-F199 AromaticContact CD2-CZ 3.88Å; W188-F199 HydrophobicContact CD2-CZ 3.88Å; W188-F199 AromaticContact CE2-CZ 3.8Å; W188-F199 HydrophobicContact CE3-CE1 4.16Å; W188-F199 AromaticContact CG-CE1 3.91Å; W188-F199 HydrophobicContact CG-CE1 3.91Å; W188-F199 AromaticContact CG-CZ 3.83Å; W188-F199 HydrophobicContact CG-CZ 3.83Å; W188-F199 HydrophobicContact CZ2-CZ 4.46Å; W188-F199 AromaticContact NE1-CZ 3.71Å; A197-F199 HydrophobicContact CB-CD2 4.43Å; A197-F199 HydrophobicContact CB-CE2 3.98Å; F199-N217 CarbonylContact O-C 3.53Å; F199-N217 WeakPolarHBondContact O-CA 3.36Å; F199-N217 WeakPolarHBondContact O-CB 3.5Å; F199-F218 HydrophobicContact CB-CD1 3.84Å; F199-F218 HydrophobicContact CB-CD2 4.32Å; F199-F218 HydrophobicContact CB-CE1 3.3Å; F199-F218 HydrophobicContact CB-CE2 3.83Å; F199-F218 HydrophobicContact CB-CG 4.34Å; F199-F218 HydrophobicContact CB-CZ 3.28Å; F199-F218 HydrophobicContact CD1-CZ 4.3Å; F199-F218 AromaticContact CD2-CE2 3.95Å; F199-F218 HydrophobicContact CD2-CE2 3.95Å; F199-F218 AromaticContact CD2-CZ 3.99Å; F199-F218 HydrophobicContact CD2-CZ 3.99Å; F199-F218 HydrophobicContact CG-CE1 4.13Å; F199-F218 HydrophobicContact CG-CE2 4.05Å; F199-F218 AromaticContact CG-CZ 3.61Å; F199-F218 HydrophobicContact CG-CZ 3.61Å; F199-F218 PolarHBondContact N-O 3.04Å; F199-F218 PolarHBondContact O-N 2.97Å; F199-L220 HydrophobicContact CD2-CB 4.15Å; F199-L220 HydrophobicContact CE2-CB 4.01Å; F199-L220 HydrophobicContact CE2-CD2 3.87Å; F199-L220 HydrophobicContact CE2-CG 4.5Å |
| 200 | T | 89.6 | Confident | 86.3 | Confident | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.4 | 179.4 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | W157 Y158 K215 T216 N217 | W157-T200 CarbonylContact C-O 3.56Å; W157-T200 WeakPolarHBondContact CA-O 3.24Å; Y158-T200 PolarHBondContact N-O 2.97Å; Y158-T200 PolarHBondContact O-N 2.82Å; T200-K215 HydrophobicContact CG2-CB 4.14Å; T200-T216 CarbonylContact C-O 3.58Å; T200-T216 WeakPolarHBondContact CA-O 3.5Å; T200-T216 WeakPolarHBondContact CG2-O 3.36Å; T200-N217 HydrophobicContact CG2-CB 4.29Å |
| 201 | C | 89.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.2 | 162.1 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | L123 C144 I155 W157 K215 T216 | L123-C201 HydrophobicContact CD2-CB 4.14Å; C144-C201 HydrophobicContact CB-CB 3.63Å; C144-C201 WeakPolarHBondContact CB-SG 3.39Å; C144-C201 WeakPolarHBondContact SG-CB 3.28Å; C144-C201 CovalentContact SG-SG 2.02Å; C144-C201 PolarHBondContact SG-SG 2.81Å; I155-C201 WeakPolarHBondContact CG2-SG 3.42Å; W157-C201 HydrophobicContact CD2-CB 4.3Å; W157-C201 HydrophobicContact CE3-CB 3.84Å; W157-C201 HydrophobicContact CH2-CB 3.95Å; W157-C201 HydrophobicContact CZ2-CB 4.36Å; W157-C201 HydrophobicContact CZ3-CB 3.65Å; C201-K215 CarbonylContact O-C 3.39Å; C201-K215 WeakPolarHBondContact O-CA 3.48Å; C201-T216 HydrophobicContact CB-CG2 4.15Å; C201-T216 PolarHBondContact N-O 3.11Å; C201-T216 PolarHBondContact O-N 3.21Å |
| 202 | Q | 90.8 | Very high | 85.6 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.3 | 177.4 | -173.9 | 171.9 | -0.4 | 0 | 0 | 110.2 | R156 Y158 F204 T213 L214 K215 | R156-Q202 PolarHBondContact N-O 3.16Å; R156-Q202 PolarHBondContact O-N 2.82Å; Y158-Q202 HydrophobicContact CD2-CB 4.28Å; Y158-Q202 HydrophobicContact CE2-CB 3.92Å; Q202-F204 HydrophobicContact CB-CE2 4.13Å; Q202-F204 HydrophobicContact CG-CD2 4.48Å; Q202-F204 HydrophobicContact CG-CE2 3.75Å; Q202-F204 HydrophobicContact CG-CZ 3.93Å; Q202-T213 PolarHBondContact NE2-OG1 3.07Å; Q202-L214 WeakPolarHBondContact CA-O 3.41Å; Q202-K215 HydrophobicContact CB-CB 4.18Å; Q202-K215 HydrophobicContact CG-CB 4.13Å |
| 203 | A | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | I121 V146 L214 | I121-A203 HydrophobicContact CD1-CB 4.03Å; V146-A203 HydrophobicContact CG1-CB 4.1Å; V146-A203 HydrophobicContact CG2-CB 3.66Å; A203-L214 HydrophobicContact CB-CB 4.32Å; A203-L214 PolarHBondContact N-O 3.06Å |
| 204 | F | 88 | Confident | 85.8 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.3 | 172.8 | -62.5 | -94.7 | 0 | 0 | 0 | 108.9 | A153 D154 R156 Y158 Q202 T213 | A153-F204 CarbonylContact C-O 3.45Å; D154-F204 HydrophobicContact CB-CB 4.2Å; D154-F204 PolarHBondContact N-O 2.76Å; D154-F204 PolarHBondContact O-N 2.9Å; R156-F204 HydrophobicContact CB-CD2 4.36Å; R156-F204 HydrophobicContact CB-CE2 4Å; R156-F204 HydrophobicContact CG-CD2 3.87Å; R156-F204 HydrophobicContact CG-CE2 3.88Å; Y158-F204 HydrophobicContact CE2-CE2 4.44Å; Q202-F204 HydrophobicContact CB-CE2 4.13Å; Q202-F204 HydrophobicContact CG-CD2 4.48Å; Q202-F204 HydrophobicContact CG-CE2 3.75Å; Q202-F204 HydrophobicContact CG-CZ 3.93Å; F204-T213 HydrophobicContact CD1-CG2 4.07Å; F204-T213 HydrophobicContact CE1-CG2 4.04Å |
| 205 | H | 90.4 | Very high | 86 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | trans | -155.5 | 140.3 | -178.9 | -173 | -87.4 | 0 | 0 | 0 | 109 | V116 P118 S149 R150 P151 A207 L208 | V116-H205 PolarHBondContact N-CE1 2.99Å; V116-H205 VanDerWaalsContact N-CE1 3.3Å; V116-H205 PolarHBondContact O-CE1 2.86Å; V116-H205 PolarHBondContact O-NE2 3.33Å; P118-H205 HydrophobicContact CG-CB 3.89Å; S149-H205 WeakPolarHBondContact CB-NE2 3.49Å; R150-H205 VanDerWaalsContact C-CE1 3.42Å; R150-H205 WeakPolarHBondContact CA-NE2 3.12Å; R150-H205 PolarHBondContact N-NE2 2.85Å; R150-H205 PolarHBondContact O-CE1 3.13Å; R150-H205 PolarHBondContact O-NE2 2.81Å; P151-H205 WeakPolarHBondContact CA-NE2 3.41Å; P151-H205 WeakPolarHBondContact CD-NE2 3.36Å; P151-H205 PolarHBondContact O-CD2 3.34Å; P151-H205 VanDerWaalsContact O-CD2 3.25Å; P151-H205 PolarHBondContact O-NE2 3Å; H205-A207 WeakPolarHBondContact CE1-CB 3.27Å; H205-A207 WeakPolarHBondContact ND1-CB 3.43Å; H205-A207 PolarHBondContact ND1-N 3.25Å; H205-A207 PolarHBondContact O-N 3.31Å; H205-L208 HydrophobicContact CB-CB 4.34Å; H205-L208 HydrophobicContact CB-CD1 4.02Å; H205-L208 HydrophobicContact CB-CG 4.07Å; H205-L208 PolarHBondContact O-N 3Å | ||
| 206 | P | 85.8 | Confident | 86.2 | Confident | 87 Ų | 87 | 50 Ų | 50 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.8 | -176.7 | 24.4 | -35.3 | 0 | 0 | 0 | 113.9 | L115 P151 | L115-P206 HydrophobicContact CD1-CB 4.21Å; L115-P206 HydrophobicContact CD1-CG 4.3Å; L115-P206 HydrophobicContact CD2-CG 4.41Å; P151-P206 HydrophobicContact CG-CG 4.03Å |
| 207 | A | 86.5 | Confident | 86.5 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V25 L115 A117 H205 | V25-A207 HydrophobicContact CB-CB 4.31Å; V25-A207 HydrophobicContact CG1-CB 3.76Å; V25-A207 HydrophobicContact CG2-CB 3.66Å; L115-A207 HydrophobicContact CB-CB 4.01Å; A117-A207 HydrophobicContact CB-CB 3.95Å; H205-A207 WeakPolarHBondContact CE1-CB 3.27Å; H205-A207 WeakPolarHBondContact ND1-CB 3.43Å; H205-A207 PolarHBondContact ND1-N 3.25Å; H205-A207 PolarHBondContact O-N 3.31Å |
| 208 | L | 85.3 | Confident | 86.5 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -99.1 | 123.8 | 171.2 | -73.2 | 177.1 | 0 | 0 | 0 | 110.1 | A117 P118 H205 L214 | A117-L208 HydrophobicContact CB-CD2 4.07Å; A117-L208 HydrophobicContact CB-CG 4.43Å; P118-L208 HydrophobicContact CG-CD1 4.03Å; H205-L208 HydrophobicContact CB-CB 4.34Å; H205-L208 HydrophobicContact CB-CD1 4.02Å; H205-L208 HydrophobicContact CB-CG 4.07Å; H205-L208 PolarHBondContact O-N 3Å; L208-L214 HydrophobicContact CD1-CD1 4.48Å; L208-L214 HydrophobicContact CD1-CG 4.25Å |
| 209 | P | 80.3 | Confident | 86.4 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | trans | -55.7 | 142.8 | 168.4 | -24.3 | 33.6 | 0 | 0 | 0 | 111 | T211 K212 | P209-T211 PolarHBondContact O-N 3.43Å; P209-K212 HydrophobicContact CB-CB 4.47Å; P209-K212 PolarHBondContact O-N 2.83Å | ||
| 210 | A | 73.2 | Confident | 86.3 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 79% | 0.793 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 211 | T | 77.1 | Confident | 86.1 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 81% | 0.81 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -11.5 | 176 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | P209 | P209-T211 PolarHBondContact O-N 3.43Š|
| 212 | K | 80.6 | Confident | 86 | Confident | 153 Ų | 153 | 49.9 Ų | 49.9 | 67% | 0.665 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -121.2 | 30.6 | -175.4 | -69.2 | -172.3 | 176 | -179.3 | 0 | 113 | P209 L214 | P209-K212 HydrophobicContact CB-CB 4.47Å; P209-K212 PolarHBondContact O-N 2.83Å; K212-L214 PolarHBondContact O-N 2.83Å |
| 213 | T | 83.6 | Confident | 85.8 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | trans | -60.7 | 128.6 | 173.4 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | Q202 F204 K215 | Q202-T213 PolarHBondContact NE2-OG1 3.07Å; F204-T213 HydrophobicContact CD1-CG2 4.07Å; F204-T213 HydrophobicContact CE1-CG2 4.04Å; T213-K215 PolarHBondContact O-N 3.26Å | ||
| 214 | L | 88.3 | Confident | 85.7 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 131.5 | 173.9 | -64.8 | 174.2 | 0 | 0 | 0 | 109.7 | P118 I121 Q202 A203 L208 K212 | P118-L214 HydrophobicContact CB-CD1 4.04Å; I121-L214 HydrophobicContact CB-CB 4.16Å; I121-L214 HydrophobicContact CD1-CB 4.4Å; I121-L214 HydrophobicContact CG2-CB 3.86Å; Q202-L214 WeakPolarHBondContact CA-O 3.41Å; A203-L214 HydrophobicContact CB-CB 4.32Å; A203-L214 PolarHBondContact N-O 3.06Å; L208-L214 HydrophobicContact CD1-CD1 4.48Å; L208-L214 HydrophobicContact CD1-CG 4.25Å; K212-L214 PolarHBondContact O-N 2.83Å |
| 215 | K | 88.8 | Confident | 85.7 | Confident | 141 Ų | 141 | 51.6 Ų | 51.6 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145 | 149.7 | 177.5 | 68 | -178.2 | -179.2 | -178.6 | 0 | 111.6 | T200 C201 Q202 T213 | T200-K215 HydrophobicContact CG2-CB 4.14Å; C201-K215 CarbonylContact O-C 3.39Å; C201-K215 WeakPolarHBondContact O-CA 3.48Å; Q202-K215 HydrophobicContact CB-CB 4.18Å; Q202-K215 HydrophobicContact CG-CB 4.13Å; T213-K215 PolarHBondContact O-N 3.26Å |
| 216 | T | 89.7 | Confident | 85.7 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153.6 | 175.8 | 167.4 | 0 | 0 | 0 | 0 | 108.8 | I121 L123 D128 T200 C201 | I121-T216 HydrophobicContact CD1-CG2 3.93Å; I121-T216 HydrophobicContact CG1-CG2 3.75Å; I121-T216 HydrophobicContact CG2-CG2 4.19Å; L123-T216 HydrophobicContact CD1-CG2 3.97Å; L123-T216 VanDerWaalsContact CD1-OG1 3.29Å; L123-T216 WeakPolarHBondContact CD1-OG1 3.13Å; L123-T216 HydrophobicContact CD2-CG2 4.41Å; L123-T216 HydrophobicContact CG-CG2 3.65Å; D128-T216 PolarHBondContact OD1-OG1 3.01Å; D128-T216 WeakPolarHBondContact OD2-CB 3.35Å; D128-T216 PolarHBondContact OD2-OG1 3.1Å; T200-T216 CarbonylContact C-O 3.58Å; T200-T216 WeakPolarHBondContact CA-O 3.5Å; T200-T216 WeakPolarHBondContact CG2-O 3.36Å; C201-T216 HydrophobicContact CB-CG2 4.15Å; C201-T216 PolarHBondContact N-O 3.11Å; C201-T216 PolarHBondContact O-N 3.21Å |
| 217 | N | 89.7 | Confident | 85.8 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 164.3 | -175.8 | 59.8 | 25.9 | 0 | 0 | 0 | 113.7 | G129 L198 F199 T200 | G129-N217 WeakPolarHBondContact CA-O 3.2Å; G129-N217 PolarHBondContact N-O 3.25Å; L198-N217 HydrophobicContact CD1-CB 3.94Å; L198-N217 HydrophobicContact CG-CB 4.33Å; F199-N217 CarbonylContact O-C 3.53Å; F199-N217 WeakPolarHBondContact O-CA 3.36Å; F199-N217 WeakPolarHBondContact O-CB 3.5Å; T200-N217 HydrophobicContact CG2-CB 4.29Å |
| 218 | F | 89 | Confident | 85.9 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 155.1 | 170 | 68.7 | -85.4 | 0 | 0 | 0 | 109.2 | L123 S130 F132 F140 T142 W157 F199 L220 | L123-F218 HydrophobicContact CD1-CB 4.43Å; L123-F218 HydrophobicContact CD1-CD1 3.8Å; S130-F218 WeakPolarHBondContact O-CA 3.47Å; S130-F218 WeakPolarHBondContact O-CB 3.45Å; F132-F218 HydrophobicContact CB-CD2 3.54Å; F132-F218 HydrophobicContact CB-CE2 3.84Å; F132-F218 HydrophobicContact CG-CD2 4.41Å; F132-F218 HydrophobicContact CG-CE2 4.34Å; F140-F218 AromaticContact CE2-CE2 3.92Å; F140-F218 HydrophobicContact CE2-CE2 3.92Å; F140-F218 AromaticContact CE2-CZ 3.52Å; F140-F218 HydrophobicContact CE2-CZ 3.52Å; F140-F218 AromaticContact CZ-CE2 3.9Å; F140-F218 HydrophobicContact CZ-CE2 3.9Å; F140-F218 AromaticContact CZ-CZ 3.74Å; F140-F218 HydrophobicContact CZ-CZ 3.74Å; T142-F218 HydrophobicContact CG2-CE1 3.89Å; T142-F218 HydrophobicContact CG2-CZ 4.05Å; W157-F218 HydrophobicContact CZ3-CE1 4.06Å; F199-F218 HydrophobicContact CB-CD1 3.84Å; F199-F218 HydrophobicContact CB-CD2 4.32Å; F199-F218 HydrophobicContact CB-CE1 3.3Å; F199-F218 HydrophobicContact CB-CE2 3.83Å; F199-F218 HydrophobicContact CB-CG 4.34Å; F199-F218 HydrophobicContact CB-CZ 3.28Å; F199-F218 HydrophobicContact CD1-CZ 4.3Å; F199-F218 AromaticContact CD2-CE2 3.95Å; F199-F218 HydrophobicContact CD2-CE2 3.95Å; F199-F218 AromaticContact CD2-CZ 3.99Å; F199-F218 HydrophobicContact CD2-CZ 3.99Å; F199-F218 HydrophobicContact CG-CE1 4.13Å; F199-F218 HydrophobicContact CG-CE2 4.05Å; F199-F218 AromaticContact CG-CZ 3.61Å; F199-F218 HydrophobicContact CG-CZ 3.61Å; F199-F218 PolarHBondContact N-O 3.04Å; F199-F218 PolarHBondContact O-N 2.97Å; F218-L220 HydrophobicContact CE2-CD1 4.41Å |
| 219 | T | 88.9 | Confident | 86.3 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 26% | 0.258 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.5 | 173.3 | 43.5 | 0 | 0 | 0 | 0 | 110 | S130 K131 F132 A197 L198 | S130-T219 PolarHBondContact O-N 3.43Å; K131-T219 CarbonylContact C-O 3.6Å; K131-T219 WeakPolarHBondContact CA-O 3.35Å; K131-T219 WeakPolarHBondContact CG-OG1 3.31Å; F132-T219 PolarHBondContact N-O 3.35Å; A197-T219 WeakPolarHBondContact O-CA 3.34Å; L198-T219 HydrophobicContact CB-CG2 4.49Å; L198-T219 HydrophobicContact CD1-CG2 3.61Å |
| 220 | L | 87.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.6 | 176.8 | -167.4 | 70.2 | 0 | 0 | 0 | 109.8 | F132 T134 F140 A190 D194 G196 A197 F199 F218 V222 | F132-L220 HydrophobicContact CB-CD1 4.22Å; F132-L220 HydrophobicContact CD1-CD1 3.91Å; F132-L220 HydrophobicContact CG-CD1 4.43Å; F132-L220 CarbonylContact O-C 3.51Å; F132-L220 WeakPolarHBondContact O-CA 3.32Å; T134-L220 HydrophobicContact CG2-CD1 3.88Å; T134-L220 HydrophobicContact CG2-CG 4.48Å; F140-L220 HydrophobicContact CD1-CD1 3.83Å; F140-L220 HydrophobicContact CE1-CD1 3.38Å; F140-L220 HydrophobicContact CE1-CD2 3.83Å; F140-L220 HydrophobicContact CE1-CG 4.27Å; F140-L220 HydrophobicContact CZ-CD1 3.94Å; A190-L220 HydrophobicContact CB-CD2 3.98Å; D194-L220 HydrophobicContact CB-CD2 3.68Å; G196-L220 VanDerWaalsContact CA-O 3.26Å; G196-L220 WeakPolarHBondContact CA-O 3.34Å; G196-L220 PolarHBondContact N-O 2.93Å; A197-L220 PolarHBondContact O-N 2.84Å; F199-L220 HydrophobicContact CD2-CB 4.15Å; F199-L220 HydrophobicContact CE2-CB 4.01Å; F199-L220 HydrophobicContact CE2-CD2 3.87Å; F199-L220 HydrophobicContact CE2-CG 4.5Å; F218-L220 HydrophobicContact CE2-CD1 4.41Å; L220-V222 HydrophobicContact CD2-CG2 3.43Å; L220-V222 VanDerWaalsContact CD2-CG2 3.43Å; L220-V222 HydrophobicContact CG-CG2 3.64Å |
| 221 | A | 85.2 | Confident | 87.9 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 117.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | F132 E133 T134 D195 | F132-A221 PolarHBondContact O-N 2.71Å; E133-A221 WeakPolarHBondContact CA-O 3.29Å; E133-A221 HydrophobicContact CG-CB 4.39Å; T134-A221 PolarHBondContact N-O 2.95Å; D195-A221 WeakPolarHBondContact OD1-CA 3.46Å |
| 222 | V | 87.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 110.9 | -176.2 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | T134 A190 R191 D194 D195 L220 Y224 N255 | T134-V222 HydrophobicContact CG2-CG2 4.39Å; T134-V222 CarbonylContact O-C 3.41Å; T134-V222 WeakPolarHBondContact O-CA 3.49Å; A190-V222 HydrophobicContact CB-CG1 4.3Å; A190-V222 HydrophobicContact CB-CG2 4.02Å; R191-V222 WeakPolarHBondContact O-CG1 3.45Å; D194-V222 HydrophobicContact CB-CG2 4.21Å; D195-V222 HydrophobicContact CB-CB 4.08Å; D195-V222 HydrophobicContact CB-CG2 4.43Å; D195-V222 PolarHBondContact OD1-N 3.05Å; L220-V222 HydrophobicContact CD2-CG2 3.43Å; L220-V222 VanDerWaalsContact CD2-CG2 3.43Å; L220-V222 HydrophobicContact CG-CG2 3.64Å; V222-Y224 WeakPolarHBondContact O-CD1 3.4Å; V222-Y224 PolarHBondContact O-N 2.84Å; V222-N255 PolarHBondContact O-ND2 2.81Å |
| 223 | L | 87.3 | Confident | 89.1 | Confident | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 115.7 | 170.3 | -60.4 | 174.5 | 0 | 0 | 0 | 109.5 | E133 T134 R135 S136 N255 A304 A305 | E133-L223 HydrophobicContact CG-CD1 4.22Å; E133-L223 HydrophobicContact CG-CG 4.2Å; E133-L223 VanDerWaalsContact OE1-CD1 3.29Å; E133-L223 WeakPolarHBondContact OE1-CD1 3.28Å; T134-L223 WeakPolarHBondContact O-CB 3.39Å; T134-L223 PolarHBondContact O-N 2.76Å; R135-L223 CarbonylContact C-O 3.24Å; R135-L223 WeakPolarHBondContact CA-O 3.12Å; R135-L223 HydrophobicContact CG-CB 4.09Å; R135-L223 HydrophobicContact CG-CD1 4.24Å; S136-L223 PolarHBondContact N-O 3.2Å; L223-N255 WeakPolarHBondContact CA-O 3.34Å; L223-A304 HydrophobicContact CD1-CB 4.46Å; L223-A304 HydrophobicContact CD2-CB 4.31Å; L223-A305 HydrophobicContact CB-CB 3.93Å |
| 224 | Y | 87.7 | Confident | 89.5 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 148 | 174.3 | 58.3 | -91.5 | 0 | 0 | 0 | 111.8 | S192 D195 V222 N253 G254 N255 N303 A305 | S192-Y224 VanDerWaalsContact CB-CD1 3.5Å; D195-Y224 HydrophobicContact CB-CE1 4.16Å; V222-Y224 WeakPolarHBondContact O-CD1 3.4Å; V222-Y224 PolarHBondContact O-N 2.84Å; Y224-N253 HydrophobicContact CE2-CB 4.36Å; Y224-G254 VanDerWaalsContact CE2-N 3.34Å; Y224-G254 WeakPolarHBondContact O-CA 3.35Å; Y224-N255 HydrophobicContact CD1-CB 3.85Å; Y224-N255 HydrophobicContact CE1-CB 3.49Å; Y224-N255 VanDerWaalsContact CE1-CB 3.49Å; Y224-N255 HydrophobicContact CG-CB 4.49Å; Y224-N255 PolarHBondContact N-O 3.08Å; Y224-N255 PolarHBondContact O-N 2.7Å; Y224-N303 PolarHBondContact O-ND2 3.47Å; Y224-A305 WeakPolarHBondContact O-CB 3.49Å |
| 225 | A | 87 | Confident | 89.4 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 151.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V306 | A225-V306 HydrophobicContact CB-CG1 4.16Å; A225-V306 HydrophobicContact CB-CG2 4.48Å |
| 226 | P | 89.9 | Confident | 89.2 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 172.6 | 171.6 | 35.2 | -37.5 | 0 | 0 | 0 | 111.5 | V251 N253 P258 A301 L310 | P226-V251 HydrophobicContact CB-CG1 3.78Å; P226-V251 HydrophobicContact CG-CG1 4.29Å; P226-N253 WeakPolarHBondContact CB-O 3.35Å; P226-P258 HydrophobicContact CB-CB 4.1Å; P226-P258 HydrophobicContact CB-CG 3.74Å; P226-P258 HydrophobicContact CG-CB 3.95Å; P226-P258 HydrophobicContact CG-CG 4.15Å; P226-A301 HydrophobicContact CG-CB 4.33Å; P226-L310 HydrophobicContact CG-CD1 4.19Å; P226-L310 VanDerWaalsContact O-CD1 3.3Å; P226-L310 WeakPolarHBondContact O-CD1 3.48Å |
| 227 | S | 88.7 | Confident | 89.3 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 156.4 | 166.5 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | A252 N253 | S227-A252 WeakPolarHBondContact CB-O 3.15Å; S227-A252 PolarHBondContact N-O 3.15Å; S227-A252 PolarHBondContact OG-O 3.22Å; S227-N253 PolarHBondContact OG-ND2 3.05Å |
| 228 | V | 89.5 | Confident | 89.3 | Confident | 96 Ų | 96 | 48.1 Ų | 48.1 | 58% | 0.582 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 137.4 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | E230 L310 S312 | V228-E230 PolarHBondContact O-N 3.21Å; V228-L310 HydrophobicContact CG2-CD1 4.43Å; V228-S312 WeakPolarHBondContact CG1-OG 3.49Å |
| 229 | P | 93.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 132.7 | -178.9 | -25.5 | 34.4 | 0 | 0 | 0 | 113.3 | V251 C299 A301 L310 S312 | P229-V251 HydrophobicContact CB-CG2 4.06Å; P229-V251 HydrophobicContact CG-CG2 4.24Å; P229-C299 HydrophobicContact CB-CB 4.37Å; P229-A301 HydrophobicContact CG-CB 3.79Å; P229-L310 HydrophobicContact CG-CB 4.46Å; P229-S312 WeakPolarHBondContact O-CB 3.43Å; P229-S312 PolarHBondContact O-OG 3.37Å |
| 230 | E | 92.8 | Very high | 89.3 | Confident | 89 Ų | 89 | 50.2 Ų | 50.2 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.7 | 174.8 | -168 | -166.6 | 149.3 | 0 | 0 | 109.3 | V228 R232 C249 Y250 | V228-E230 PolarHBondContact O-N 3.21Å; E230-R232 VanDerWaalsContact CD-NE 3.33Å; E230-R232 HydrophobicContact CG-CG 4.45Å; E230-R232 IonicContact OE1-CZ 2.73Å; E230-R232 IonicContact OE1-NE 3.42Å; E230-R232 PolarHBondContact OE1-NE 2.83Å; E230-R232 IonicContact OE1-NH2 3.49Å; E230-R232 PolarHBondContact OE1-NH2 3.47Å; E230-R232 VanDerWaalsContact OE1-NH2 3.11Å; E230-R232 IonicContact OE2-CZ 2.79Å; E230-R232 IonicContact OE2-NE 3.15Å; E230-R232 IonicContact OE2-NH2 3.95Å; E230-R232 PolarHBondContact OE2-NH2 2.94Å; E230-C249 WeakPolarHBondContact O-CA 3.32Å; E230-Y250 PolarHBondContact N-O 3.26Å; E230-Y250 PolarHBondContact O-N 2.95Å |
| 231 | I | 93.4 | Very high | 89.3 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.2 | 176.4 | -66.2 | 175 | 0 | 0 | 0 | 109.5 | W262 C299 S312 V314 | I231-W262 HydrophobicContact CB-CH2 4.28Å; I231-W262 HydrophobicContact CD1-CH2 3.68Å; I231-W262 HydrophobicContact CD1-CZ3 3.71Å; I231-W262 HydrophobicContact CG1-CH2 3.62Å; I231-W262 HydrophobicContact CG1-CZ2 4.48Å; I231-W262 HydrophobicContact CG1-CZ3 4.15Å; I231-W262 HydrophobicContact CG2-CH2 3.79Å; I231-C299 HydrophobicContact CD1-CB 4.24Å; I231-C299 HydrophobicContact CG1-CB 4.18Å; I231-S312 WeakPolarHBondContact CD1-O 3.39Å; I231-V314 HydrophobicContact CD1-CB 4.39Å; I231-V314 HydrophobicContact CD1-CG1 4.31Å; I231-V314 HydrophobicContact CG2-CB 4.36Å; I231-V314 HydrophobicContact CG2-CG1 3.99Å |
| 232 | R | 93 | Very high | 89.3 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 168 | 178.3 | -61 | 177.6 | -178.6 | 154.1 | 6.2 | 110.5 | E230 L247 Q248 | E230-R232 VanDerWaalsContact CD-NE 3.33Å; E230-R232 HydrophobicContact CG-CG 4.45Å; E230-R232 IonicContact OE1-CZ 2.73Å; E230-R232 IonicContact OE1-NE 3.42Å; E230-R232 PolarHBondContact OE1-NE 2.83Å; E230-R232 IonicContact OE1-NH2 3.49Å; E230-R232 PolarHBondContact OE1-NH2 3.47Å; E230-R232 VanDerWaalsContact OE1-NH2 3.11Å; E230-R232 IonicContact OE2-CZ 2.79Å; E230-R232 IonicContact OE2-NE 3.15Å; E230-R232 IonicContact OE2-NH2 3.95Å; E230-R232 PolarHBondContact OE2-NH2 2.94Å; R232-L247 WeakPolarHBondContact O-CA 3.3Å; R232-Q248 HydrophobicContact CB-CB 4.29Å; R232-Q248 PolarHBondContact N-O 3.03Å; R232-Q248 PolarHBondContact O-N 2.85Å |
| 233 | G | 89.1 | Confident | 89.4 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 93.7 | -3.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N246 | G233-N246 WeakPolarHBondContact CA-O 3.48Š|
| 234 | Y | 91.9 | Very high | 89.5 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | trans | -126.2 | 132.6 | 168.7 | -179.9 | -128.5 | 0 | 0 | 0 | 110.3 | R237 L239 V314 L316 N317 | Y234-R237 WeakPolarHBondContact CE2-O 3.31Å; Y234-R237 PolarHBondContact OH-O 2.88Å; Y234-L239 HydrophobicContact CD2-CD1 3.94Å; Y234-L239 HydrophobicContact CD2-CD2 4.44Å; Y234-L239 HydrophobicContact CD2-CG 4.38Å; Y234-L239 HydrophobicContact CE2-CD1 3.53Å; Y234-L239 HydrophobicContact CE2-CD2 4.21Å; Y234-L239 HydrophobicContact CE2-CG 3.77Å; Y234-V314 HydrophobicContact CD1-CG2 3.72Å; Y234-V314 HydrophobicContact CE1-CG2 4.22Å; Y234-L316 HydrophobicContact CD1-CD2 3.47Å; Y234-L316 VanDerWaalsContact CD1-CD2 3.47Å; Y234-L316 HydrophobicContact CD2-CD2 4.19Å; Y234-L316 HydrophobicContact CE1-CD2 3.5Å; Y234-L316 HydrophobicContact CE2-CD2 4.25Å; Y234-L316 HydrophobicContact CG-CD2 3.82Å; Y234-N317 PolarHBondContact OH-N 2.81Å | ||
| 235 | D | 87.3 | Confident | 89.7 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | trans | -97.2 | -5.1 | -174.7 | 58.6 | 7.3 | 0 | 0 | 0 | 113.4 | R237 | D235-R237 WeakPolarHBondContact OD1-CB 3.44Å; D235-R237 WeakPolarHBondContact OD1-CG 3.42Å; D235-R237 PolarHBondContact OD1-N 3.43Å; D235-R237 IonicContact OD1-NE 3.15Å; D235-R237 VanDerWaalsContact OD2-CD 3.26Å; D235-R237 WeakPolarHBondContact OD2-CD 3.44Å; D235-R237 IonicContact OD2-NE 3.36Å; D235-R237 PolarHBondContact OD2-NE 2.83Å | ||
| 236 | G | 85.4 | Confident | 89.9 | Confident | 51 Ų | 51 | 62 Ų | 62 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 89 | 1.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 237 | R | 90.8 | Very high | 90.1 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 159.1 | 178 | 81.9 | -171.3 | 153.8 | 84.3 | -2.6 | 112.3 | Y234 D235 L239 E243 | Y234-R237 WeakPolarHBondContact CE2-O 3.31Å; Y234-R237 PolarHBondContact OH-O 2.88Å; D235-R237 WeakPolarHBondContact OD1-CB 3.44Å; D235-R237 WeakPolarHBondContact OD1-CG 3.42Å; D235-R237 PolarHBondContact OD1-N 3.43Å; D235-R237 IonicContact OD1-NE 3.15Å; D235-R237 VanDerWaalsContact OD2-CD 3.26Å; D235-R237 WeakPolarHBondContact OD2-CD 3.44Å; D235-R237 IonicContact OD2-NE 3.36Å; D235-R237 PolarHBondContact OD2-NE 2.83Å; R237-L239 PolarHBondContact O-N 2.85Å; R237-E243 IonicContact CZ-OE1 3.78Å; R237-E243 IonicContact NH1-OE1 2.68Å; R237-E243 PolarHBondContact NH1-OE1 2.89Å; R237-E243 IonicContact NH1-OE2 3.71Å; R237-E243 PolarHBondContact NH1-OE2 2.82Å; R237-E243 IonicContact NH2-OE1 2.73Å; R237-E243 PolarHBondContact NH2-OE1 2.84Å |
| 238 | P | 88.9 | Confident | 90.3 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 126.4 | 167.4 | -17.5 | 31.2 | 0 | 0 | 0 | 110.6 | N317 F319 | P238-N317 WeakPolarHBondContact CA-O 3.23Å; P238-F319 HydrophobicContact CB-CD1 3.96Å; P238-F319 HydrophobicContact CB-CD2 4.09Å; P238-F319 HydrophobicContact CB-CE1 3.61Å; P238-F319 HydrophobicContact CB-CE2 3.74Å; P238-F319 HydrophobicContact CB-CG 4.2Å; P238-F319 HydrophobicContact CB-CZ 3.49Å; P238-F319 VanDerWaalsContact CB-CZ 3.49Å; P238-F319 HydrophobicContact CG-CE1 4.16Å; P238-F319 HydrophobicContact CG-CE2 4.26Å; P238-F319 HydrophobicContact CG-CZ 3.77Å |
| 239 | L | 90.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 146 | 178 | -65.1 | 159.8 | 0 | 0 | 0 | 109.5 | Y234 R237 E243 V245 V288 L316 N317 V318 F319 | Y234-L239 HydrophobicContact CD2-CD1 3.94Å; Y234-L239 HydrophobicContact CD2-CD2 4.44Å; Y234-L239 HydrophobicContact CD2-CG 4.38Å; Y234-L239 HydrophobicContact CE2-CD1 3.53Å; Y234-L239 HydrophobicContact CE2-CD2 4.21Å; Y234-L239 HydrophobicContact CE2-CG 3.77Å; R237-L239 PolarHBondContact O-N 2.85Å; L239-E243 WeakPolarHBondContact CA-OE2 3.43Å; L239-E243 HydrophobicContact CD2-CG 4.46Å; L239-V245 HydrophobicContact CD1-CG2 3.78Å; L239-V245 HydrophobicContact CD2-CG2 3.67Å; L239-V245 HydrophobicContact CG-CG2 4.34Å; L239-V288 HydrophobicContact CD1-CG2 4.32Å; L239-L316 HydrophobicContact CD1-CB 4.36Å; L239-L316 HydrophobicContact CD1-CD1 4.38Å; L239-L316 HydrophobicContact CD1-CD2 4.28Å; L239-N317 PolarHBondContact N-O 2.83Å; L239-V318 CarbonylContact O-C 3.44Å; L239-V318 WeakPolarHBondContact O-CA 2.92Å; L239-F319 PolarHBondContact O-N 3.11Å |
| 240 | K | 88.7 | Confident | 90.6 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 138.7 | 174 | -63.8 | -170.8 | -178.7 | -158.5 | 0 | 110.3 | G242 E243 E406 L407 | K240-G242 PolarHBondContact O-N 2.87Å; K240-E243 PolarHBondContact N-OE2 2.82Å; K240-E243 WeakPolarHBondContact O-CB 3.48Å; K240-E243 PolarHBondContact O-N 2.9Å; K240-E406 PolarHBondContact NZ-O 2.91Å; K240-L407 HydrophobicContact CB-CD2 4.16Å; K240-L407 HydrophobicContact CD-CD2 3.89Å; K240-L407 HydrophobicContact CG-CD2 3.98Å |
| 241 | S | 86.7 | Confident | 90.6 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 123.3 | 173.4 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | V288 F319 | S241-V288 WeakPolarHBondContact CA-O 3.39Å; S241-F319 WeakPolarHBondContact CB-O 3.49Å; S241-F319 PolarHBondContact N-O 2.96Å |
| 242 | G | 85.1 | Confident | 90.4 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | -9.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K240 V288 | K240-G242 PolarHBondContact O-N 2.87Å; G242-V288 PolarHBondContact N-O 2.83Å |
| 243 | E | 88.8 | Confident | 90.1 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | trans | -70.9 | 145 | 172.7 | -168.9 | 166.1 | -170.5 | 0 | 0 | 110.9 | R237 L239 K240 V288 | R237-E243 IonicContact CZ-OE1 3.78Å; R237-E243 IonicContact NH1-OE1 2.68Å; R237-E243 PolarHBondContact NH1-OE1 2.89Å; R237-E243 IonicContact NH1-OE2 3.71Å; R237-E243 PolarHBondContact NH1-OE2 2.82Å; R237-E243 IonicContact NH2-OE1 2.73Å; R237-E243 PolarHBondContact NH2-OE1 2.84Å; L239-E243 WeakPolarHBondContact CA-OE2 3.43Å; L239-E243 HydrophobicContact CD2-CG 4.46Å; K240-E243 PolarHBondContact N-OE2 2.82Å; K240-E243 WeakPolarHBondContact O-CB 3.48Å; K240-E243 PolarHBondContact O-N 2.9Å; E243-V288 PolarHBondContact O-N 3.36Å | ||
| 244 | R | 90.7 | Very high | 89.8 | Confident | 173 Ų | 173 | 51.5 Ų | 51.5 | 65% | 0.653 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.1 | 174.2 | -79.6 | -171.1 | -61.9 | -76.8 | 0.4 | 110.6 | F286 V287 | R244-F286 WeakPolarHBondContact CA-O 3.37Å; R244-V287 HydrophobicContact CG-CG2 3.77Å |
| 245 | V | 91.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.6 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 108.7 | L239 L247 E285 F286 V288 | L239-V245 HydrophobicContact CD1-CG2 3.78Å; L239-V245 HydrophobicContact CD2-CG2 3.67Å; L239-V245 HydrophobicContact CG-CG2 4.34Å; V245-L247 HydrophobicContact CG1-CD2 3.72Å; V245-L247 HydrophobicContact CG1-CG 3.93Å; V245-E285 WeakPolarHBondContact O-CA 3.25Å; V245-F286 HydrophobicContact CB-CE1 4.4Å; V245-F286 HydrophobicContact CG1-CE1 4.38Å; V245-F286 PolarHBondContact N-O 3.47Å; V245-F286 PolarHBondContact O-N 3.13Å; V245-V288 HydrophobicContact CB-CG2 3.89Å; V245-V288 HydrophobicContact CG2-CG2 3.49Å; V245-V288 VanDerWaalsContact CG2-CG2 3.49Å |
| 246 | N | 92.4 | Very high | 89.5 | Confident | 65 Ų | 65 | 48.5 Ų | 48.5 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.2 | 170.1 | -179.7 | -9.2 | 0 | 0 | 0 | 108.2 | G233 E285 | G233-N246 WeakPolarHBondContact CA-O 3.48Å; N246-E285 HydrophobicContact CB-CB 4.16Å; N246-E285 HydrophobicContact CB-CG 4.25Å |
| 247 | L | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117 | 175 | -62.8 | -179.9 | 0 | 0 | 0 | 109.8 | R232 V245 W262 Y284 F286 Y297 | R232-L247 WeakPolarHBondContact O-CA 3.3Å; V245-L247 HydrophobicContact CG1-CD2 3.72Å; V245-L247 HydrophobicContact CG1-CG 3.93Å; L247-W262 HydrophobicContact CB-CH2 3.8Å; L247-W262 HydrophobicContact CB-CZ2 3.54Å; L247-W262 HydrophobicContact CD1-CH2 4.07Å; L247-W262 HydrophobicContact CD1-CZ3 4.31Å; L247-Y284 PolarHBondContact N-O 3.28Å; L247-Y284 PolarHBondContact O-N 2.85Å; L247-F286 HydrophobicContact CD1-CE1 3.99Å; L247-F286 HydrophobicContact CD1-CZ 4.44Å; L247-F286 HydrophobicContact CG-CE1 4.16Å; L247-Y297 HydrophobicContact CD1-CD1 3.85Å; L247-Y297 HydrophobicContact CD1-CG 3.88Å |
| 248 | Q | 93.6 | Very high | 89.5 | Confident | 47 Ų | 47 | 44.3 Ų | 44.3 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.3 | 173.2 | 179.7 | -173.8 | 84.2 | 0 | 0 | 109.3 | R232 I281 N282 E283 | R232-Q248 HydrophobicContact CB-CB 4.29Å; R232-Q248 PolarHBondContact N-O 3.03Å; R232-Q248 PolarHBondContact O-N 2.85Å; Q248-I281 HydrophobicContact CG-CG2 3.7Å; Q248-N282 CarbonylContact C-O 3.58Å; Q248-N282 WeakPolarHBondContact CA-O 3.47Å; Q248-E283 HydrophobicContact CB-CG 4.05Å; Q248-E283 HydrophobicContact CG-CG 3.87Å; Q248-E283 PolarHBondContact NE2-OE1 3.47Å |
| 249 | C | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.1 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | E230 V260 W262 I281 N282 C299 | E230-C249 WeakPolarHBondContact O-CA 3.32Å; C249-V260 HydrophobicContact CB-CG1 4.08Å; C249-W262 HydrophobicContact CB-CH2 4.41Å; C249-W262 HydrophobicContact CB-CZ2 3.64Å; C249-I281 WeakPolarHBondContact O-CA 3.44Å; C249-N282 PolarHBondContact N-O 3.24Å; C249-N282 PolarHBondContact O-N 2.93Å; C249-C299 HydrophobicContact CB-CB 3.62Å; C249-C299 WeakPolarHBondContact CB-SG 3.34Å; C249-C299 WeakPolarHBondContact SG-CB 3.18Å; C249-C299 CovalentContact SG-SG 2.01Å; C249-C299 PolarHBondContact SG-SG 2.61Å |
| 250 | Y | 93.5 | Very high | 89.7 | Confident | 65 Ų | 65 | 46 Ų | 46 | 26% | 0.255 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.5 | -179.1 | 178.9 | -94.3 | 0 | 0 | 0 | 110.5 | E230 A252 A279 I281 | E230-Y250 PolarHBondContact N-O 3.26Å; E230-Y250 PolarHBondContact O-N 2.95Å; Y250-A252 HydrophobicContact CE1-CB 3.97Å; Y250-A279 HydrophobicContact CE2-CB 3.83Å; Y250-I281 HydrophobicContact CD2-CD1 3.81Å; Y250-I281 HydrophobicContact CD2-CG1 3.83Å; Y250-I281 HydrophobicContact CE2-CD1 4.02Å; Y250-I281 HydrophobicContact CE2-CG1 4.27Å |
| 251 | V | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 107.3 | -176.3 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | P226 P229 P258 V260 A279 S280 A301 | P226-V251 HydrophobicContact CB-CG1 3.78Å; P226-V251 HydrophobicContact CG-CG1 4.29Å; P229-V251 HydrophobicContact CB-CG2 4.06Å; P229-V251 HydrophobicContact CG-CG2 4.24Å; V251-P258 HydrophobicContact CB-CG 4.37Å; V251-P258 HydrophobicContact CG1-CB 4.41Å; V251-P258 HydrophobicContact CG1-CG 3.64Å; V251-V260 HydrophobicContact CB-CG2 3.96Å; V251-V260 HydrophobicContact CG2-CG1 4.02Å; V251-V260 HydrophobicContact CG2-CG2 3.61Å; V251-A279 CarbonylContact O-C 3.5Å; V251-A279 WeakPolarHBondContact O-CA 3.02Å; V251-A279 VanDerWaalsContact O-CB 3.29Å; V251-A279 WeakPolarHBondContact O-CB 3.41Å; V251-S280 PolarHBondContact N-O 2.89Å; V251-S280 PolarHBondContact O-N 3.19Å; V251-A301 HydrophobicContact CB-CB 4.44Å; V251-A301 HydrophobicContact CG1-CB 3.66Å; V251-A301 HydrophobicContact CG2-CB 3.97Å |
| 252 | A | 89.2 | Confident | 90.3 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 150.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S227 Y250 | S227-A252 WeakPolarHBondContact CB-O 3.15Å; S227-A252 PolarHBondContact N-O 3.15Å; S227-A252 PolarHBondContact OG-O 3.22Å; Y250-A252 HydrophobicContact CE1-CB 3.97Å |
| 253 | N | 85 | Confident | 90.7 | Very high | 79 Ų | 79 | 39.3 Ų | 39.3 | 42% | 0.422 | 19% | 0.19 | S | C | . | . | trans | 60.3 | -166.5 | 173.5 | -45.8 | -68.7 | 0 | 0 | 0 | 114 | Y224 P226 S227 P258 K278 | Y224-N253 HydrophobicContact CE2-CB 4.36Å; P226-N253 WeakPolarHBondContact CB-O 3.35Å; S227-N253 PolarHBondContact OG-ND2 3.05Å; N253-P258 VanDerWaalsContact O-CD 3.28Å; N253-P258 WeakPolarHBondContact O-CD 3.44Å; N253-K278 PolarHBondContact N-O 3.35Å | ||
| 254 | G | 84.1 | Confident | 90.9 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | trans | 101.2 | 138.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y224 P256 | Y224-G254 VanDerWaalsContact CE2-N 3.34Å; Y224-G254 WeakPolarHBondContact O-CA 3.35Å; G254-P256 CarbonylContact C-O 3.51Å; G254-P256 VanDerWaalsContact C-O 3.3Å; G254-P256 CarbonylContact O-C 3.53Å | ||
| 255 | N | 85.1 | Confident | 90.6 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -126.6 | 121.6 | 166.3 | -176.6 | 5.3 | 0 | 0 | 0 | 109.7 | D195 V222 L223 Y224 N303 | D195-N255 PolarHBondContact OD1-ND2 2.94Å; D195-N255 PolarHBondContact OD2-ND2 3.19Å; V222-N255 PolarHBondContact O-ND2 2.81Å; L223-N255 WeakPolarHBondContact CA-O 3.34Å; Y224-N255 HydrophobicContact CD1-CB 3.85Å; Y224-N255 HydrophobicContact CE1-CB 3.49Å; Y224-N255 VanDerWaalsContact CE1-CB 3.49Å; Y224-N255 HydrophobicContact CG-CB 4.49Å; Y224-N255 PolarHBondContact N-O 3.08Å; Y224-N255 PolarHBondContact O-N 2.7Å; N255-N303 PolarHBondContact N-ND2 2.84Å; N255-N303 PolarHBondContact O-ND2 2.93Å |
| 256 | P | 86.4 | Confident | 90.4 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 34% | 0.344 | 21% | 0.211 | S | C | . | . | S | Bend | cis | -61.7 | 163.2 | -8.4 | 27.7 | -34.8 | 0 | 0 | 0 | 111.6 | G254 N303 A304 | G254-P256 CarbonylContact C-O 3.51Å; G254-P256 VanDerWaalsContact C-O 3.3Å; G254-P256 CarbonylContact O-C 3.53Å; P256-N303 HydrophobicContact CG-CB 4.25Å; P256-N303 WeakPolarHBondContact O-CB 3.37Å; P256-N303 PolarHBondContact O-ND2 2.95Å; P256-A304 HydrophobicContact CG-CB 4.12Å |
| 257 | I | 86.4 | Confident | 90.3 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 40% | 0.395 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -53.9 | 129.8 | 173.2 | -66 | 174.6 | 0 | 0 | 0 | 108.2 | T275 S280 | I257-T275 HydrophobicContact CG2-CG2 3.52Å; I257-S280 WeakPolarHBondContact CG2-OG 3.44Å |
| 258 | P | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 149.1 | -168.1 | 30.5 | -38.4 | 0 | 0 | 0 | 113.5 | P226 V251 N253 S280 A301 T302 N303 | P226-P258 HydrophobicContact CB-CB 4.1Å; P226-P258 HydrophobicContact CB-CG 3.74Å; P226-P258 HydrophobicContact CG-CB 3.95Å; P226-P258 HydrophobicContact CG-CG 4.15Å; V251-P258 HydrophobicContact CB-CG 4.37Å; V251-P258 HydrophobicContact CG1-CB 4.41Å; V251-P258 HydrophobicContact CG1-CG 3.64Å; N253-P258 VanDerWaalsContact O-CD 3.28Å; N253-P258 WeakPolarHBondContact O-CD 3.44Å; P258-S280 VanDerWaalsContact O-CB 3.29Å; P258-S280 WeakPolarHBondContact O-CB 3.35Å; P258-S280 PolarHBondContact O-OG 3.11Å; P258-A301 HydrophobicContact CB-CB 4.46Å; P258-T302 CarbonylContact C-O 3.53Å; P258-T302 VanDerWaalsContact CA-O 3.23Å; P258-T302 WeakPolarHBondContact CA-O 3.48Å; P258-T302 WeakPolarHBondContact CB-O 3.16Å; P258-N303 HydrophobicContact CB-CB 4.21Å |
| 259 | E | 90.4 | Very high | 90 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 140.9 | 164.1 | -51 | -172.4 | 163.1 | 0 | 0 | 109.3 | Y273 A301 T302 | E259-Y273 HydrophobicContact CB-CE1 4.08Å; E259-Y273 HydrophobicContact CG-CE1 4.42Å; E259-A301 WeakPolarHBondContact O-CA 3.43Å; E259-T302 HydrophobicContact CB-CG2 4Å; E259-T302 PolarHBondContact N-O 2.95Å; E259-T302 PolarHBondContact O-N 3.21Å |
| 260 | V | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 119.3 | -176.1 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | C249 V251 Y273 N282 C299 Q300 | C249-V260 HydrophobicContact CB-CG1 4.08Å; V251-V260 HydrophobicContact CB-CG2 3.96Å; V251-V260 HydrophobicContact CG2-CG1 4.02Å; V251-V260 HydrophobicContact CG2-CG2 3.61Å; V260-Y273 HydrophobicContact CB-CG 4.4Å; V260-N282 HydrophobicContact CB-CB 4.24Å; V260-N282 HydrophobicContact CG1-CB 3.71Å; V260-N282 PolarHBondContact O-ND2 2.02Å; V260-C299 WeakPolarHBondContact CG1-SG 3.21Å; V260-Q300 WeakPolarHBondContact CA-O 3.23Å |
| 261 | I | 93 | Very high | 89.8 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.1 | -169.3 | -58.8 | 178.8 | 0 | 0 | 0 | 109.7 | Y263 V268 D270 R271 Q300 | I261-Y263 HydrophobicContact CB-CD2 4.49Å; I261-Y263 HydrophobicContact CB-CE2 3.81Å; I261-Y263 HydrophobicContact CG2-CD2 3.93Å; I261-Y263 HydrophobicContact CG2-CE2 3.34Å; I261-V268 HydrophobicContact CG2-CG1 3.72Å; I261-V268 HydrophobicContact CG2-CG2 4.14Å; I261-D270 WeakPolarHBondContact CA-O 2.84Å; I261-D270 WeakPolarHBondContact CG2-O 3.41Å; I261-R271 HydrophobicContact CD1-CG 4.34Å; I261-R271 HydrophobicContact CG1-CG 4.25Å; I261-R271 HydrophobicContact CG2-CG 4.04Å; I261-Q300 PolarHBondContact N-O 2.85Å; I261-Q300 PolarHBondContact O-N 2.96Å |
| 262 | W | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 140.2 | 171 | -81.8 | 114.2 | 0 | 0 | 0 | 112.3 | I231 L247 C249 V268 I269 D270 N282 C299 | I231-W262 HydrophobicContact CB-CH2 4.28Å; I231-W262 HydrophobicContact CD1-CH2 3.68Å; I231-W262 HydrophobicContact CD1-CZ3 3.71Å; I231-W262 HydrophobicContact CG1-CH2 3.62Å; I231-W262 HydrophobicContact CG1-CZ2 4.48Å; I231-W262 HydrophobicContact CG1-CZ3 4.15Å; I231-W262 HydrophobicContact CG2-CH2 3.79Å; L247-W262 HydrophobicContact CB-CH2 3.8Å; L247-W262 HydrophobicContact CB-CZ2 3.54Å; L247-W262 HydrophobicContact CD1-CH2 4.07Å; L247-W262 HydrophobicContact CD1-CZ3 4.31Å; C249-W262 HydrophobicContact CB-CH2 4.41Å; C249-W262 HydrophobicContact CB-CZ2 3.64Å; W262-V268 WeakPolarHBondContact O-CA 3.31Å; W262-I269 HydrophobicContact CB-CD1 3.97Å; W262-I269 HydrophobicContact CB-CG1 3.65Å; W262-I269 WeakPolarHBondContact O-CG1 3.48Å; W262-I269 PolarHBondContact O-N 3.02Å; W262-D270 HydrophobicContact CB-CB 4.42Å; W262-D270 PolarHBondContact N-O 2.72Å; W262-D270 PolarHBondContact O-N 3.36Å; W262-N282 PolarHBondContact NE1-OD1 3.18Å; W262-C299 HydrophobicContact CD2-CB 4.11Å; W262-C299 HydrophobicContact CE3-CB 3.83Å; W262-C299 HydrophobicContact CH2-CB 4.08Å; W262-C299 HydrophobicContact CZ2-CB 4.32Å; W262-C299 HydrophobicContact CZ3-CB 3.81Å |
| 263 | Y | 93.6 | Very high | 89.8 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.8 | 175.7 | -65.9 | -109.2 | 0 | 0 | 0 | 110.4 | I261 E266 K267 V268 Y297 S298 Q300 | I261-Y263 HydrophobicContact CB-CD2 4.49Å; I261-Y263 HydrophobicContact CB-CE2 3.81Å; I261-Y263 HydrophobicContact CG2-CD2 3.93Å; I261-Y263 HydrophobicContact CG2-CE2 3.34Å; Y263-E266 WeakPolarHBondContact CD1-O 3.45Å; Y263-K267 CarbonylContact C-O 3.57Å; Y263-K267 VanDerWaalsContact CA-O 3.22Å; Y263-K267 WeakPolarHBondContact CA-O 3.46Å; Y263-V268 HydrophobicContact CD1-CG2 3.83Å; Y263-V268 HydrophobicContact CE1-CB 4.44Å; Y263-V268 HydrophobicContact CE1-CG2 3.32Å; Y263-V268 HydrophobicContact CE2-CG2 4.32Å; Y263-Y297 CarbonylContact O-C 3.56Å; Y263-Y297 WeakPolarHBondContact O-CA 3.1Å; Y263-S298 WeakPolarHBondContact CB-O 3.19Å; Y263-S298 PolarHBondContact N-O 2.88Å; Y263-S298 PolarHBondContact O-N 2.88Å; Y263-Q300 HydrophobicContact CD2-CB 4.02Å; Y263-Q300 HydrophobicContact CE2-CB 3.63Å; Y263-Q300 HydrophobicContact CE2-CG 4.38Å; Y263-Q300 PolarHBondContact OH-OE1 3.15Å; Y263-Q300 VanDerWaalsContact OH-OE1 3.05Å |
| 264 | R | 92.5 | Very high | 90 | Very high | 70 Ų | 70 | 64 Ų | 64 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 108.8 | 170.6 | -170.5 | -179 | -176.8 | -102.4 | 10.6 | 108.1 | K267 I269 S291 D292 V295 Y297 | R264-K267 PolarHBondContact N-O 3.37Å; R264-K267 WeakPolarHBondContact O-CB 3.49Å; R264-K267 PolarHBondContact O-N 3.07Å; R264-K267 VanDerWaalsContact O-N 3.14Å; R264-I269 HydrophobicContact CB-CD1 4.09Å; R264-I269 HydrophobicContact CB-CG1 4.48Å; R264-I269 HydrophobicContact CB-CG2 3.49Å; R264-I269 VanDerWaalsContact CB-CG2 3.49Å; R264-S291 PolarHBondContact NH2-O 2.85Å; R264-S291 PolarHBondContact NH2-OG 3.04Å; R264-D292 IonicContact CZ-OD1 2.72Å; R264-D292 IonicContact NE-OD1 2.82Å; R264-D292 PolarHBondContact NE-OD1 2.87Å; R264-D292 IonicContact NH2-OD1 2.7Å; R264-D292 PolarHBondContact NH2-OD1 3.41Å; R264-V295 HydrophobicContact CG-CG1 3.39Å; R264-Y297 HydrophobicContact CB-CE1 4.4Å; R264-Y297 WeakPolarHBondContact CD-OH 3.5Å; R264-Y297 HydrophobicContact CG-CE1 4.21Å; R264-Y297 HydrophobicContact CG-CE2 4.25Å; R264-Y297 PolarHBondContact NE-OH 2.91Å; R264-Y297 VanDerWaalsContact NE-OH 3.16Å |
| 265 | N | 86.5 | Confident | 90.1 | Very high | 82 Ų | 82 | 67.3 Ų | 67.3 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 63.7 | -173 | -65.7 | -23.1 | 0 | 0 | 0 | 112.3 | K267 S296 | N265-K267 PolarHBondContact O-N 3.27Å; N265-S296 PolarHBondContact N-O 3.49Å; N265-S296 PolarHBondContact OD1-N 2.96Å |
| 266 | E | 85.9 | Confident | 89.8 | Confident | 146 Ų | 146 | 68.9 Ų | 68.9 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -1.6 | -178.1 | -49.1 | -48 | 122.4 | 0 | 0 | 117 | Y263 | Y263-E266 WeakPolarHBondContact CD1-O 3.45Š|
| 267 | K | 90 | Very high | 89.2 | Confident | 155 Ų | 155 | 71.1 Ų | 71.1 | 67% | 0.674 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.9 | 174.1 | -173.2 | -176.9 | 177 | -174.6 | 0 | 111.2 | Y263 R264 N265 I269 | Y263-K267 CarbonylContact C-O 3.57Å; Y263-K267 VanDerWaalsContact CA-O 3.22Å; Y263-K267 WeakPolarHBondContact CA-O 3.46Å; R264-K267 PolarHBondContact N-O 3.37Å; R264-K267 WeakPolarHBondContact O-CB 3.49Å; R264-K267 PolarHBondContact O-N 3.07Å; R264-K267 VanDerWaalsContact O-N 3.14Å; N265-K267 PolarHBondContact O-N 3.27Å; K267-I269 PolarHBondContact O-N 3.06Å |
| 268 | V | 91 | Very high | 88.9 | Confident | 46 Ų | 46 | 75 Ų | 75 | 28% | 0.279 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 130.5 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | I261 W262 Y263 R271 | I261-V268 HydrophobicContact CG2-CG1 3.72Å; I261-V268 HydrophobicContact CG2-CG2 4.14Å; W262-V268 WeakPolarHBondContact O-CA 3.31Å; Y263-V268 HydrophobicContact CD1-CG2 3.83Å; Y263-V268 HydrophobicContact CE1-CB 4.44Å; Y263-V268 HydrophobicContact CE1-CG2 3.32Å; Y263-V268 HydrophobicContact CE2-CG2 4.32Å; V268-R271 HydrophobicContact CG1-CG 3.75Å |
| 269 | I | 90.8 | Very high | 88.8 | Confident | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -35.7 | 175.3 | 54.2 | 171.9 | 0 | 0 | 0 | 112.7 | W262 R264 K267 Y284 Y297 | W262-I269 HydrophobicContact CB-CD1 3.97Å; W262-I269 HydrophobicContact CB-CG1 3.65Å; W262-I269 WeakPolarHBondContact O-CG1 3.48Å; W262-I269 PolarHBondContact O-N 3.02Å; R264-I269 HydrophobicContact CB-CD1 4.09Å; R264-I269 HydrophobicContact CB-CG1 4.48Å; R264-I269 HydrophobicContact CB-CG2 3.49Å; R264-I269 VanDerWaalsContact CB-CG2 3.49Å; K267-I269 PolarHBondContact O-N 3.06Å; I269-Y284 HydrophobicContact CB-CE2 4.49Å; I269-Y284 HydrophobicContact CD1-CD1 3.95Å; I269-Y284 HydrophobicContact CD1-CD2 4.47Å; I269-Y284 HydrophobicContact CD1-CE1 3.57Å; I269-Y284 HydrophobicContact CD1-CE2 4.13Å; I269-Y284 HydrophobicContact CD1-CG 4.39Å; I269-Y284 HydrophobicContact CG1-CE2 4.45Å; I269-Y297 HydrophobicContact CD1-CD1 3.77Å; I269-Y297 HydrophobicContact CD1-CE1 3.53Å |
| 270 | D | 91.4 | Very high | 88.9 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.16 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.5 | 173.9 | -178 | 48.9 | 0 | 0 | 0 | 112.6 | I261 W262 T272 N282 Y284 | I261-D270 WeakPolarHBondContact CA-O 2.84Å; I261-D270 WeakPolarHBondContact CG2-O 3.41Å; W262-D270 HydrophobicContact CB-CB 4.42Å; W262-D270 PolarHBondContact N-O 2.72Å; W262-D270 PolarHBondContact O-N 3.36Å; D270-T272 VanDerWaalsContact CG-N 3.32Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.29Å; D270-T272 PolarHBondContact OD1-N 2.71Å; D270-T272 VanDerWaalsContact OD1-N 3.1Å; D270-T272 PolarHBondContact OD1-OG1 3.39Å; D270-T272 PolarHBondContact OD2-N 3.42Å; D270-T272 PolarHBondContact OD2-OG1 3.2Å; D270-N282 PolarHBondContact OD2-ND2 2.87Å; D270-N282 PolarHBondContact OD2-OD1 2.93Å; D270-Y284 HydrophobicContact CB-CD2 3.85Å; D270-Y284 HydrophobicContact CB-CE2 4.36Å |
| 271 | R | 92 | Very high | 88.9 | Confident | 158 Ų | 158 | 72.3 Ų | 72.3 | 60% | 0.596 | 37% | 0.366 | S | S | * | . | trans | -125.8 | 7.3 | 177.7 | -65.7 | -177.9 | 175.4 | -120 | -1 | 112.7 | I261 V268 Y273 | I261-R271 HydrophobicContact CD1-CG 4.34Å; I261-R271 HydrophobicContact CG1-CG 4.25Å; I261-R271 HydrophobicContact CG2-CG 4.04Å; V268-R271 HydrophobicContact CG1-CG 3.75Å; R271-Y273 WeakPolarHBondContact O-CD1 3.4Å | ||
| 272 | T | 90.9 | Very high | 88.9 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | trans | -80.9 | 123.4 | -179.8 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | D270 N282 | D270-T272 VanDerWaalsContact CG-N 3.32Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.29Å; D270-T272 PolarHBondContact OD1-N 2.71Å; D270-T272 VanDerWaalsContact OD1-N 3.1Å; D270-T272 PolarHBondContact OD1-OG1 3.39Å; D270-T272 PolarHBondContact OD2-N 3.42Å; D270-T272 PolarHBondContact OD2-OG1 3.2Å; T272-N282 WeakPolarHBondContact O-CB 3.34Å; T272-N282 PolarHBondContact O-ND2 3.17Å; T272-N282 PolarHBondContact O-OD1 2.91Å | ||
| 273 | Y | 91.3 | Very high | 88.8 | Confident | 89 Ų | 89 | 77.1 Ų | 77.1 | 35% | 0.349 | 39% | 0.388 | S | S | . | . | trans | -140.9 | 145.8 | 175.8 | 64 | -84.5 | 0 | 0 | 0 | 110.8 | E259 V260 R271 T275 I281 | E259-Y273 HydrophobicContact CB-CE1 4.08Å; E259-Y273 HydrophobicContact CG-CE1 4.42Å; V260-Y273 HydrophobicContact CB-CG 4.4Å; R271-Y273 WeakPolarHBondContact O-CD1 3.4Å; Y273-T275 HydrophobicContact CD2-CG2 3.79Å; Y273-T275 HydrophobicContact CE2-CG2 3.67Å; Y273-I281 CarbonylContact C-O 3.55Å; Y273-I281 VanDerWaalsContact CA-O 3.25Å; Y273-I281 WeakPolarHBondContact CA-O 3.33Å; Y273-I281 WeakPolarHBondContact CB-O 3.36Å | ||
| 274 | V | 90.1 | Very high | 88.7 | Confident | 112 Ų | 112 | 77.9 Ų | 77.9 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.4 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | S280 I281 | V274-S280 WeakPolarHBondContact O-CA 3Å; V274-I281 PolarHBondContact N-O 3.35Å; V274-I281 PolarHBondContact O-N 2.95Å |
| 275 | T | 86.5 | Confident | 88.7 | Confident | 74 Ų | 74 | 80.4 Ų | 80.4 | 45% | 0.454 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.3 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | I257 Y273 A279 | I257-T275 HydrophobicContact CG2-CG2 3.52Å; Y273-T275 HydrophobicContact CD2-CG2 3.79Å; Y273-T275 HydrophobicContact CE2-CG2 3.67Å; T275-A279 WeakPolarHBondContact CA-O 3.45Å |
| 276 | N | 79.2 | Confident | 89 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 178.5 | 161.7 | 71.6 | 52.1 | 0 | 0 | 0 | 109.8 | K278 A279 | N276-K278 PolarHBondContact O-N 2.81Å; N276-K278 PolarHBondContact OD1-N 2.86Å; N276-A279 PolarHBondContact N-O 2.71Å; N276-A279 PolarHBondContact O-N 3.04Å; N276-A279 PolarHBondContact OD1-N 2.87Å |
| 277 | A | 73.7 | Confident | 89.3 | Confident | 100 Ų | 100 | 74.6 Ų | 74.6 | 83% | 0.826 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 278 | K | 78.8 | Confident | 89.3 | Confident | 158 Ų | 158 | 67.2 Ų | 67.2 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139 | -4.7 | -178.2 | -63.8 | -170.2 | 178.6 | -175.1 | 0 | 115.3 | N253 N276 | N253-K278 PolarHBondContact N-O 3.35Å; N276-K278 PolarHBondContact O-N 2.81Å; N276-K278 PolarHBondContact OD1-N 2.86Å |
| 279 | A | 88.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 157.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y250 V251 T275 N276 | Y250-A279 HydrophobicContact CE2-CB 3.83Å; V251-A279 CarbonylContact O-C 3.5Å; V251-A279 WeakPolarHBondContact O-CA 3.02Å; V251-A279 VanDerWaalsContact O-CB 3.29Å; V251-A279 WeakPolarHBondContact O-CB 3.41Å; T275-A279 WeakPolarHBondContact CA-O 3.45Å; N276-A279 PolarHBondContact N-O 2.71Å; N276-A279 PolarHBondContact O-N 3.04Å; N276-A279 PolarHBondContact OD1-N 2.87Å |
| 280 | S | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.3 | 167.5 | -61.4 | 0 | 0 | 0 | 0 | 110 | V251 I257 P258 V274 | V251-S280 PolarHBondContact N-O 2.89Å; V251-S280 PolarHBondContact O-N 3.19Å; I257-S280 WeakPolarHBondContact CG2-OG 3.44Å; P258-S280 VanDerWaalsContact O-CB 3.29Å; P258-S280 WeakPolarHBondContact O-CB 3.35Å; P258-S280 PolarHBondContact O-OG 3.11Å; V274-S280 WeakPolarHBondContact O-CA 3Å |
| 281 | I | 93.5 | Very high | 88.8 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131.9 | -175.6 | -47.6 | -178.1 | 0 | 0 | 0 | 109.3 | Q248 C249 Y250 Y273 V274 E283 | Q248-I281 HydrophobicContact CG-CG2 3.7Å; C249-I281 WeakPolarHBondContact O-CA 3.44Å; Y250-I281 HydrophobicContact CD2-CD1 3.81Å; Y250-I281 HydrophobicContact CD2-CG1 3.83Å; Y250-I281 HydrophobicContact CE2-CD1 4.02Å; Y250-I281 HydrophobicContact CE2-CG1 4.27Å; Y273-I281 CarbonylContact C-O 3.55Å; Y273-I281 VanDerWaalsContact CA-O 3.25Å; Y273-I281 WeakPolarHBondContact CA-O 3.33Å; Y273-I281 WeakPolarHBondContact CB-O 3.36Å; V274-I281 PolarHBondContact N-O 3.35Å; V274-I281 PolarHBondContact O-N 2.95Å; I281-E283 HydrophobicContact CG2-CG 4.4Å |
| 282 | N | 93.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.8 | 171.7 | 179.6 | -32.6 | 0 | 0 | 0 | 108.9 | Q248 C249 V260 W262 D270 T272 | Q248-N282 CarbonylContact C-O 3.58Å; Q248-N282 WeakPolarHBondContact CA-O 3.47Å; C249-N282 PolarHBondContact N-O 3.24Å; C249-N282 PolarHBondContact O-N 2.93Å; V260-N282 HydrophobicContact CB-CB 4.24Å; V260-N282 HydrophobicContact CG1-CB 3.71Å; V260-N282 PolarHBondContact O-ND2 2.02Å; W262-N282 PolarHBondContact NE1-OD1 3.18Å; D270-N282 PolarHBondContact OD2-ND2 2.87Å; D270-N282 PolarHBondContact OD2-OD1 2.93Å; T272-N282 WeakPolarHBondContact O-CB 3.34Å; T272-N282 PolarHBondContact O-ND2 3.17Å; T272-N282 PolarHBondContact O-OD1 2.91Å |
| 283 | E | 92.2 | Very high | 88.7 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.1 | 177 | -69.7 | -178.3 | -178.9 | 0 | 0 | 110.2 | Q248 I281 | Q248-E283 HydrophobicContact CB-CG 4.05Å; Q248-E283 HydrophobicContact CG-CG 3.87Å; Q248-E283 PolarHBondContact NE2-OE1 3.47Å; I281-E283 HydrophobicContact CG2-CG 4.4Å |
| 284 | Y | 93.1 | Very high | 88.5 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 21% | 0.212 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 102.6 | -177.2 | -179.5 | -103.2 | 0 | 0 | 0 | 110.5 | L247 I269 D270 F286 Y297 | L247-Y284 PolarHBondContact N-O 3.28Å; L247-Y284 PolarHBondContact O-N 2.85Å; I269-Y284 HydrophobicContact CB-CE2 4.49Å; I269-Y284 HydrophobicContact CD1-CD1 3.95Å; I269-Y284 HydrophobicContact CD1-CD2 4.47Å; I269-Y284 HydrophobicContact CD1-CE1 3.57Å; I269-Y284 HydrophobicContact CD1-CE2 4.13Å; I269-Y284 HydrophobicContact CD1-CG 4.39Å; I269-Y284 HydrophobicContact CG1-CE2 4.45Å; D270-Y284 HydrophobicContact CB-CD2 3.85Å; D270-Y284 HydrophobicContact CB-CE2 4.36Å; Y284-F286 AromaticContact CD1-CD1 3.44Å; Y284-F286 HydrophobicContact CD1-CD1 3.44Å; Y284-F286 VanDerWaalsContact CD1-CD1 3.44Å; Y284-F286 AromaticContact CD1-CE1 3.78Å; Y284-F286 HydrophobicContact CD1-CE1 3.78Å; Y284-F286 HydrophobicContact CD1-CG 4.33Å; Y284-F286 HydrophobicContact CE1-CB 3.97Å; Y284-F286 AromaticContact CE1-CD1 3.18Å; Y284-F286 HydrophobicContact CE1-CD1 3.18Å; Y284-F286 HydrophobicContact CE1-CD2 4.49Å; Y284-F286 AromaticContact CE1-CE1 3.68Å; Y284-F286 HydrophobicContact CE1-CE1 3.68Å; Y284-F286 AromaticContact CE1-CG 3.65Å; Y284-F286 HydrophobicContact CE1-CG 3.65Å; Y284-F286 HydrophobicContact CE1-CZ 4.49Å; Y284-Y297 HydrophobicContact CD1-CE1 4.34Å; Y284-Y297 AromaticContact CE1-CE1 3.86Å; Y284-Y297 HydrophobicContact CE1-CE1 3.86Å |
| 285 | E | 91.9 | Very high | 88.5 | Confident | 123 Ų | 123 | 49.5 Ų | 49.5 | 58% | 0.575 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.2 | 174.5 | -172.1 | 179.3 | -154.9 | 0 | 0 | 111.7 | V245 N246 | V245-E285 WeakPolarHBondContact O-CA 3.25Å; N246-E285 HydrophobicContact CB-CB 4.16Å; N246-E285 HydrophobicContact CB-CG 4.25Å |
| 286 | F | 92.1 | Very high | 88.8 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 162.4 | 175.5 | 65.2 | -72.2 | 0 | 0 | 0 | 112 | R244 V245 L247 Y284 V288 Y297 L316 | R244-F286 WeakPolarHBondContact CA-O 3.37Å; V245-F286 HydrophobicContact CB-CE1 4.4Å; V245-F286 HydrophobicContact CG1-CE1 4.38Å; V245-F286 PolarHBondContact N-O 3.47Å; V245-F286 PolarHBondContact O-N 3.13Å; L247-F286 HydrophobicContact CD1-CE1 3.99Å; L247-F286 HydrophobicContact CD1-CZ 4.44Å; L247-F286 HydrophobicContact CG-CE1 4.16Å; Y284-F286 AromaticContact CD1-CD1 3.44Å; Y284-F286 HydrophobicContact CD1-CD1 3.44Å; Y284-F286 VanDerWaalsContact CD1-CD1 3.44Å; Y284-F286 AromaticContact CD1-CE1 3.78Å; Y284-F286 HydrophobicContact CD1-CE1 3.78Å; Y284-F286 HydrophobicContact CD1-CG 4.33Å; Y284-F286 HydrophobicContact CE1-CB 3.97Å; Y284-F286 AromaticContact CE1-CD1 3.18Å; Y284-F286 HydrophobicContact CE1-CD1 3.18Å; Y284-F286 HydrophobicContact CE1-CD2 4.49Å; Y284-F286 AromaticContact CE1-CE1 3.68Å; Y284-F286 HydrophobicContact CE1-CE1 3.68Å; Y284-F286 AromaticContact CE1-CG 3.65Å; Y284-F286 HydrophobicContact CE1-CG 3.65Å; Y284-F286 HydrophobicContact CE1-CZ 4.49Å; F286-V288 HydrophobicContact CD2-CG2 4.33Å; F286-V288 HydrophobicContact CE2-CG2 3.89Å; F286-V288 HydrophobicContact CZ-CG2 4.37Å; F286-Y297 HydrophobicContact CE1-CE1 4.04Å; F286-Y297 HydrophobicContact CE2-CE1 4.36Å; F286-Y297 HydrophobicContact CE2-CE2 4.33Å; F286-Y297 AromaticContact CE2-CZ 3.75Å; F286-Y297 VanDerWaalsContact CE2-OH 3.24Å; F286-Y297 WeakPolarHBondContact CE2-OH 3.38Å; F286-Y297 AromaticContact CZ-CE1 3.79Å; F286-Y297 HydrophobicContact CZ-CE1 3.79Å; F286-Y297 AromaticContact CZ-CE2 3.98Å; F286-Y297 HydrophobicContact CZ-CE2 3.98Å; F286-Y297 AromaticContact CZ-CZ 3.48Å; F286-Y297 VanDerWaalsContact CZ-CZ 3.48Å; F286-Y297 WeakPolarHBondContact CZ-OH 3.43Å; F286-L316 HydrophobicContact CE2-CD1 4.31Å; F286-L316 HydrophobicContact CZ-CD1 3.76Å |
| 287 | V | 92.1 | Very high | 89.5 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 52% | 0.515 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.8 | 168.1 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | R244 | R244-V287 HydrophobicContact CG-CG2 3.77Å |
| 288 | V | 90.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -78.1 | 132.6 | -175.8 | -174.4 | 0 | 0 | 0 | 0 | 110 | L239 S241 G242 E243 V245 F286 D292 V318 | L239-V288 HydrophobicContact CD1-CG2 4.32Å; S241-V288 WeakPolarHBondContact CA-O 3.39Å; G242-V288 PolarHBondContact N-O 2.83Å; E243-V288 PolarHBondContact O-N 3.36Å; V245-V288 HydrophobicContact CB-CG2 3.89Å; V245-V288 HydrophobicContact CG2-CG2 3.49Å; V245-V288 VanDerWaalsContact CG2-CG2 3.49Å; F286-V288 HydrophobicContact CD2-CG2 4.33Å; F286-V288 HydrophobicContact CE2-CG2 3.89Å; F286-V288 HydrophobicContact CZ-CG2 4.37Å; V288-D292 WeakPolarHBondContact CA-OD2 3.34Å; V288-D292 HydrophobicContact CG1-CB 3.93Å; V288-V318 HydrophobicContact CG1-CB 4.17Å; V288-V318 HydrophobicContact CG1-CG1 3.65Å; V288-V318 HydrophobicContact CG1-CG2 3.39Å | ||
| 289 | D | 89.4 | Confident | 91.2 | Very high | 77 Ų | 77 | 31.5 Ų | 31.5 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | trans | -121.2 | 173.6 | 172.7 | 76.8 | 32.5 | 0 | 0 | 0 | 112.7 | S291 D292 | D289-S291 PolarHBondContact O-N 3.4Å; D289-S291 VanDerWaalsContact O-N 3.11Å; D289-S291 VanDerWaalsContact OD1-CA 3.28Å; D289-S291 WeakPolarHBondContact OD1-CA 3.47Å; D289-S291 WeakPolarHBondContact OD1-CB 3.2Å; D289-S291 PolarHBondContact OD1-N 2.97Å; D289-S291 PolarHBondContact OD1-OG 3.08Å; D289-D292 PolarHBondContact N-OD2 3.34Å; D289-D292 WeakPolarHBondContact O-CB 3.37Å; D289-D292 PolarHBondContact O-N 3.48Å | ||
| 290 | G | 85.7 | Confident | 91.5 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -57.4 | -26 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D292 N293 Y320 M376 | G290-D292 PolarHBondContact O-N 3.34Å; G290-N293 VanDerWaalsContact O-CB 3.26Å; G290-N293 WeakPolarHBondContact O-CB 3.32Å; G290-N293 PolarHBondContact O-N 2.88Å; G290-Y320 VanDerWaalsContact CA-CD1 3.46Å; G290-M376 WeakPolarHBondContact O-CB 3.44Å |
| 291 | S | 87.6 | Confident | 91.4 | Very high | 47 Ų | 47 | 33.6 Ų | 33.6 | 33% | 0.329 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -73 | -12.4 | 177.3 | 84.4 | 0 | 0 | 0 | 0 | 113.9 | R264 D289 N293 V295 | R264-S291 PolarHBondContact NH2-O 2.85Å; R264-S291 PolarHBondContact NH2-OG 3.04Å; D289-S291 PolarHBondContact O-N 3.4Å; D289-S291 VanDerWaalsContact O-N 3.11Å; D289-S291 VanDerWaalsContact OD1-CA 3.28Å; D289-S291 WeakPolarHBondContact OD1-CA 3.47Å; D289-S291 WeakPolarHBondContact OD1-CB 3.2Å; D289-S291 PolarHBondContact OD1-N 2.97Å; D289-S291 PolarHBondContact OD1-OG 3.08Å; S291-N293 VanDerWaalsContact C-N 3.32Å; S291-V295 WeakPolarHBondContact O-CG2 3.43Å |
| 292 | D | 89.4 | Confident | 91.3 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -81.9 | -6.1 | 171.9 | -65 | -45.5 | 0 | 0 | 0 | 113.6 | R264 V288 D289 G290 D294 V295 Y297 V318 | R264-D292 IonicContact CZ-OD1 2.72Å; R264-D292 IonicContact NE-OD1 2.82Å; R264-D292 PolarHBondContact NE-OD1 2.87Å; R264-D292 IonicContact NH2-OD1 2.7Å; R264-D292 PolarHBondContact NH2-OD1 3.41Å; V288-D292 WeakPolarHBondContact CA-OD2 3.34Å; V288-D292 HydrophobicContact CG1-CB 3.93Å; D289-D292 PolarHBondContact N-OD2 3.34Å; D289-D292 WeakPolarHBondContact O-CB 3.37Å; D289-D292 PolarHBondContact O-N 3.48Å; G290-D292 PolarHBondContact O-N 3.34Å; D292-D294 PolarHBondContact O-N 3.12Å; D292-V295 WeakPolarHBondContact O-CB 3.37Å; D292-V295 PolarHBondContact O-N 2.87Å; D292-V295 VanDerWaalsContact O-N 3.15Å; D292-Y297 PolarHBondContact OD1-OH 3.38Å; D292-V318 HydrophobicContact CB-CG2 4.04Å |
| 293 | N | 90.4 | Very high | 91 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 123 | -179.7 | -173.2 | 54.6 | 0 | 0 | 0 | 112.9 | G290 S291 V295 V318 Y320 N349 M376 | G290-N293 VanDerWaalsContact O-CB 3.26Å; G290-N293 WeakPolarHBondContact O-CB 3.32Å; G290-N293 PolarHBondContact O-N 2.88Å; S291-N293 VanDerWaalsContact C-N 3.32Å; N293-V295 PolarHBondContact O-N 3.04Å; N293-V318 HydrophobicContact CB-CB 4.08Å; N293-V318 HydrophobicContact CB-CG2 4.45Å; N293-V318 PolarHBondContact OD1-N 3.38Å; N293-V318 PolarHBondContact OD1-O 2.77Å; N293-Y320 HydrophobicContact CB-CD1 4.35Å; N293-Y320 HydrophobicContact CB-CE1 3.83Å; N293-N349 PolarHBondContact OD1-ND2 2.71Å; N293-M376 WeakPolarHBondContact CB-O 3.49Å; N293-M376 PolarHBondContact ND2-O 2.86Å |
| 294 | D | 88.3 | Confident | 90.6 | Very high | 53 Ų | 53 | 31.7 Ų | 31.7 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 35.3 | -169.3 | -174.6 | 56.7 | 0 | 0 | 0 | 112.8 | D292 R315 L316 K377 | D292-D294 PolarHBondContact O-N 3.12Å; D294-R315 WeakPolarHBondContact OD1-CD 3.47Å; D294-R315 IonicContact OD1-CZ 2.71Å; D294-R315 IonicContact OD1-NE 3.99Å; D294-R315 IonicContact OD1-NH1 3.16Å; D294-R315 PolarHBondContact OD1-NH1 2.87Å; D294-R315 IonicContact OD2-NH1 2.76Å; D294-L316 PolarHBondContact N-O 3.49Å; D294-K377 HydrophobicContact CB-CD 3.68Å; D294-K377 PolarHBondContact O-NZ 3.24Å; D294-K377 WeakPolarHBondContact OD2-CD 3.43Å; D294-K377 WeakPolarHBondContact OD2-CE 3.5Å; D294-K377 IonicContact OD2-NZ 2.7Å; D294-K377 PolarHBondContact OD2-NZ 3.41Å |
| 295 | V | 90.5 | Very high | 90 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | trans | -84.2 | 135.9 | 166.1 | 168.8 | 0 | 0 | 0 | 0 | 110.1 | R264 S291 D292 N293 Y297 R315 | R264-V295 HydrophobicContact CG-CG1 3.39Å; S291-V295 WeakPolarHBondContact O-CG2 3.43Å; D292-V295 WeakPolarHBondContact O-CB 3.37Å; D292-V295 PolarHBondContact O-N 2.87Å; D292-V295 VanDerWaalsContact O-N 3.15Å; N293-V295 PolarHBondContact O-N 3.04Å; V295-Y297 HydrophobicContact CB-CE2 4.24Å; V295-Y297 HydrophobicContact CG1-CD2 3.92Å; V295-Y297 HydrophobicContact CG1-CE2 3.64Å; V295-Y297 PolarHBondContact O-N 3.44Å; V295-R315 VanDerWaalsContact O-CA 3.31Å; V295-R315 WeakPolarHBondContact O-CA 3.44Å | ||
| 296 | S | 91.7 | Very high | 89.5 | Confident | 18 Ų | 18 | 25.3 Ų | 25.3 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 108.6 | 175.1 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | N265 S298 | N265-S296 PolarHBondContact N-O 3.49Å; N265-S296 PolarHBondContact OD1-N 2.96Å; S296-S298 PolarHBondContact OG-OG 3.3Å |
| 297 | Y | 93.7 | Very high | 89 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 105.2 | 166 | -80.5 | -93.9 | 0 | 0 | 0 | 108.4 | L247 Y263 R264 I269 Y284 F286 D292 V295 S313 V314 L316 | L247-Y297 HydrophobicContact CD1-CD1 3.85Å; L247-Y297 HydrophobicContact CD1-CG 3.88Å; Y263-Y297 CarbonylContact O-C 3.56Å; Y263-Y297 WeakPolarHBondContact O-CA 3.1Å; R264-Y297 HydrophobicContact CB-CE1 4.4Å; R264-Y297 WeakPolarHBondContact CD-OH 3.5Å; R264-Y297 HydrophobicContact CG-CE1 4.21Å; R264-Y297 HydrophobicContact CG-CE2 4.25Å; R264-Y297 PolarHBondContact NE-OH 2.91Å; R264-Y297 VanDerWaalsContact NE-OH 3.16Å; I269-Y297 HydrophobicContact CD1-CD1 3.77Å; I269-Y297 HydrophobicContact CD1-CE1 3.53Å; Y284-Y297 HydrophobicContact CD1-CE1 4.34Å; Y284-Y297 AromaticContact CE1-CE1 3.86Å; Y284-Y297 HydrophobicContact CE1-CE1 3.86Å; F286-Y297 HydrophobicContact CE1-CE1 4.04Å; F286-Y297 HydrophobicContact CE2-CE1 4.36Å; F286-Y297 HydrophobicContact CE2-CE2 4.33Å; F286-Y297 AromaticContact CE2-CZ 3.75Å; F286-Y297 VanDerWaalsContact CE2-OH 3.24Å; F286-Y297 WeakPolarHBondContact CE2-OH 3.38Å; F286-Y297 AromaticContact CZ-CE1 3.79Å; F286-Y297 HydrophobicContact CZ-CE1 3.79Å; F286-Y297 AromaticContact CZ-CE2 3.98Å; F286-Y297 HydrophobicContact CZ-CE2 3.98Å; F286-Y297 AromaticContact CZ-CZ 3.48Å; F286-Y297 VanDerWaalsContact CZ-CZ 3.48Å; F286-Y297 WeakPolarHBondContact CZ-OH 3.43Å; D292-Y297 PolarHBondContact OD1-OH 3.38Å; V295-Y297 HydrophobicContact CB-CE2 4.24Å; V295-Y297 HydrophobicContact CG1-CD2 3.92Å; V295-Y297 HydrophobicContact CG1-CE2 3.64Å; V295-Y297 PolarHBondContact O-N 3.44Å; Y297-S313 CarbonylContact O-C 3.33Å; Y297-S313 WeakPolarHBondContact O-CA 3.46Å; Y297-V314 PolarHBondContact N-O 2.77Å; Y297-V314 PolarHBondContact O-N 3.26Å; Y297-L316 HydrophobicContact CD2-CD1 3.91Å; Y297-L316 HydrophobicContact CD2-CG 4.13Å; Y297-L316 HydrophobicContact CE2-CD1 3.79Å; Y297-L316 HydrophobicContact CE2-CG 4.42Å |
| 298 | S | 94.9 | Very high | 88.6 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120 | -177.5 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | Y263 S296 S312 S313 | Y263-S298 WeakPolarHBondContact CB-O 3.19Å; Y263-S298 PolarHBondContact N-O 2.88Å; Y263-S298 PolarHBondContact O-N 2.88Å; S296-S298 PolarHBondContact OG-OG 3.3Å; S298-S312 CarbonylContact C-O 3.58Å; S298-S312 VanDerWaalsContact CA-O 3.3Å; S298-S312 WeakPolarHBondContact CA-O 3.04Å; S298-S313 WeakPolarHBondContact CB-OG 3.48Å; S298-S313 PolarHBondContact OG-OG 2.82Å |
| 299 | C | 94.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.2 | 167.1 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | P229 I231 C249 V260 W262 S311 S312 | P229-C299 HydrophobicContact CB-CB 4.37Å; I231-C299 HydrophobicContact CD1-CB 4.24Å; I231-C299 HydrophobicContact CG1-CB 4.18Å; C249-C299 HydrophobicContact CB-CB 3.62Å; C249-C299 WeakPolarHBondContact CB-SG 3.34Å; C249-C299 WeakPolarHBondContact SG-CB 3.18Å; C249-C299 CovalentContact SG-SG 2.01Å; C249-C299 PolarHBondContact SG-SG 2.61Å; V260-C299 WeakPolarHBondContact CG1-SG 3.21Å; W262-C299 HydrophobicContact CD2-CB 4.11Å; W262-C299 HydrophobicContact CE3-CB 3.83Å; W262-C299 HydrophobicContact CH2-CB 4.08Å; W262-C299 HydrophobicContact CZ2-CB 4.32Å; W262-C299 HydrophobicContact CZ3-CB 3.81Å; C299-S311 VanDerWaalsContact O-CA 3.23Å; C299-S311 WeakPolarHBondContact O-CA 3.23Å; C299-S312 PolarHBondContact N-O 2.92Å; C299-S312 PolarHBondContact O-N 2.8Å |
| 300 | Q | 94 | Very high | 88.6 | Confident | 45 Ų | 45 | 31.2 Ų | 31.2 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.6 | -179.7 | -170.5 | 178.3 | 82.5 | 0 | 0 | 111 | V260 I261 Y263 P309 L310 | V260-Q300 WeakPolarHBondContact CA-O 3.23Å; I261-Q300 PolarHBondContact N-O 2.85Å; I261-Q300 PolarHBondContact O-N 2.96Å; Y263-Q300 HydrophobicContact CD2-CB 4.02Å; Y263-Q300 HydrophobicContact CE2-CB 3.63Å; Y263-Q300 HydrophobicContact CE2-CG 4.38Å; Y263-Q300 PolarHBondContact OH-OE1 3.15Å; Y263-Q300 VanDerWaalsContact OH-OE1 3.05Å; Q300-P309 HydrophobicContact CG-CB 3.32Å; Q300-P309 HydrophobicContact CG-CG 4.28Å; Q300-L310 CarbonylContact C-O 3.51Å; Q300-L310 VanDerWaalsContact CA-O 3.31Å; Q300-L310 WeakPolarHBondContact CA-O 3.32Å |
| 301 | A | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P226 P229 V251 P258 E259 P309 L310 | P226-A301 HydrophobicContact CG-CB 4.33Å; P229-A301 HydrophobicContact CG-CB 3.79Å; V251-A301 HydrophobicContact CB-CB 4.44Å; V251-A301 HydrophobicContact CG1-CB 3.66Å; V251-A301 HydrophobicContact CG2-CB 3.97Å; P258-A301 HydrophobicContact CB-CB 4.46Å; E259-A301 WeakPolarHBondContact O-CA 3.43Å; A301-P309 CarbonylContact O-C 3.56Å; A301-P309 WeakPolarHBondContact O-CA 3.16Å; A301-L310 PolarHBondContact N-O 3.37Å; A301-L310 PolarHBondContact O-N 3.35Å |
| 302 | T | 89.7 | Confident | 89.2 | Confident | 41 Ų | 41 | 33.5 Ų | 33.5 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.6 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 112 | P258 E259 | P258-T302 CarbonylContact C-O 3.53Å; P258-T302 VanDerWaalsContact CA-O 3.23Å; P258-T302 WeakPolarHBondContact CA-O 3.48Å; P258-T302 WeakPolarHBondContact CB-O 3.16Å; E259-T302 HydrophobicContact CB-CG2 4Å; E259-T302 PolarHBondContact N-O 2.95Å; E259-T302 PolarHBondContact O-N 3.21Å |
| 303 | N | 88.4 | Confident | 89.4 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | trans | -149.9 | 172.9 | 169 | 82.6 | -7.8 | 0 | 0 | 0 | 109.7 | Y224 N255 P256 P258 A305 V306 | Y224-N303 PolarHBondContact O-ND2 3.47Å; N255-N303 PolarHBondContact N-ND2 2.84Å; N255-N303 PolarHBondContact O-ND2 2.93Å; P256-N303 HydrophobicContact CG-CB 4.25Å; P256-N303 WeakPolarHBondContact O-CB 3.37Å; P256-N303 PolarHBondContact O-ND2 2.95Å; P258-N303 HydrophobicContact CB-CB 4.21Å; N303-A305 PolarHBondContact O-N 3.28Å; N303-A305 WeakPolarHBondContact OD1-CA 3.35Å; N303-A305 VanDerWaalsContact OD1-CB 3.29Å; N303-A305 WeakPolarHBondContact OD1-CB 3.34Å; N303-A305 PolarHBondContact OD1-N 2.94Å; N303-V306 PolarHBondContact O-N 3.47Å; N303-V306 WeakPolarHBondContact OD1-CG2 3.16Å; N303-V306 PolarHBondContact OD1-N 2.89Å | ||
| 304 | A | 83.6 | Confident | 89.4 | Confident | 51 Ų | 51 | 37.7 Ų | 37.7 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R135 L223 P256 | R135-A304 PolarHBondContact NH1-O 2.81Å; R135-A304 PolarHBondContact NH2-O 3.46Å; L223-A304 HydrophobicContact CD1-CB 4.46Å; L223-A304 HydrophobicContact CD2-CB 4.31Å; P256-A304 HydrophobicContact CG-CB 4.12Å |
| 305 | A | 81.3 | Confident | 89.6 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -30.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R135 L223 Y224 N303 | R135-A305 VanDerWaalsContact NH1-C 3.28Å; R135-A305 PolarHBondContact NH1-O 2.64Å; L223-A305 HydrophobicContact CB-CB 3.93Å; Y224-A305 WeakPolarHBondContact O-CB 3.49Å; N303-A305 PolarHBondContact O-N 3.28Å; N303-A305 WeakPolarHBondContact OD1-CA 3.35Å; N303-A305 VanDerWaalsContact OD1-CB 3.29Å; N303-A305 WeakPolarHBondContact OD1-CB 3.34Å; N303-A305 PolarHBondContact OD1-N 2.94Å |
| 306 | V | 81.4 | Confident | 89.6 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | trans | -76.7 | 153.3 | 175.9 | -120.8 | 0 | 0 | 0 | 0 | 111.2 | A225 N303 A308 L310 | A225-V306 HydrophobicContact CB-CG1 4.16Å; A225-V306 HydrophobicContact CB-CG2 4.48Å; N303-V306 PolarHBondContact O-N 3.47Å; N303-V306 WeakPolarHBondContact OD1-CG2 3.16Å; N303-V306 PolarHBondContact OD1-N 2.89Å; V306-A308 WeakPolarHBondContact CB-O 3.31Å; V306-A308 WeakPolarHBondContact CG1-O 3.34Å; V306-L310 HydrophobicContact CG1-CD2 4.17Å; V306-L310 HydrophobicContact CG1-CG 4.21Å | ||
| 307 | V | 80.3 | Confident | 89.6 | Confident | 146 Ų | 146 | 44.4 Ų | 44.4 | 89% | 0.885 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -98.6 | -40.5 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 308 | A | 84.3 | Confident | 89.4 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -116.6 | 140.4 | 166 | 0 | 0 | 0 | 0 | 0 | 107.8 | V306 | V306-A308 WeakPolarHBondContact CB-O 3.31Å; V306-A308 WeakPolarHBondContact CG1-O 3.34Å |
| 309 | P | 88.4 | Confident | 89.3 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 34% | 0.338 | 27% | 0.272 | S | S | . | . | trans | -58.7 | 143.1 | 176 | -24.6 | 35.1 | 0 | 0 | 0 | 112.1 | Q300 A301 | Q300-P309 HydrophobicContact CG-CB 3.32Å; Q300-P309 HydrophobicContact CG-CG 4.28Å; A301-P309 CarbonylContact O-C 3.56Å; A301-P309 WeakPolarHBondContact O-CA 3.16Å | ||
| 310 | L | 91.8 | Very high | 89.1 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 139.9 | 172 | -57.7 | -178.1 | 0 | 0 | 0 | 108.9 | P226 V228 P229 Q300 A301 V306 | P226-L310 HydrophobicContact CG-CD1 4.19Å; P226-L310 VanDerWaalsContact O-CD1 3.3Å; P226-L310 WeakPolarHBondContact O-CD1 3.48Å; V228-L310 HydrophobicContact CG2-CD1 4.43Å; P229-L310 HydrophobicContact CG-CB 4.46Å; Q300-L310 CarbonylContact C-O 3.51Å; Q300-L310 VanDerWaalsContact CA-O 3.31Å; Q300-L310 WeakPolarHBondContact CA-O 3.32Å; A301-L310 PolarHBondContact N-O 3.37Å; A301-L310 PolarHBondContact O-N 3.35Å; V306-L310 HydrophobicContact CG1-CD2 4.17Å; V306-L310 HydrophobicContact CG1-CG 4.21Å |
| 311 | S | 92 | Very high | 89 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | C299 | C299-S311 VanDerWaalsContact O-CA 3.23Å; C299-S311 WeakPolarHBondContact O-CA 3.23Å |
| 312 | S | 93.6 | Very high | 88.9 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149 | 166.6 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | V228 P229 I231 S298 C299 | V228-S312 WeakPolarHBondContact CG1-OG 3.49Å; P229-S312 WeakPolarHBondContact O-CB 3.43Å; P229-S312 PolarHBondContact O-OG 3.37Å; I231-S312 WeakPolarHBondContact CD1-O 3.39Å; S298-S312 CarbonylContact C-O 3.58Å; S298-S312 VanDerWaalsContact CA-O 3.3Å; S298-S312 WeakPolarHBondContact CA-O 3.04Å; C299-S312 PolarHBondContact N-O 2.92Å; C299-S312 PolarHBondContact O-N 2.8Å |
| 313 | S | 92.8 | Very high | 88.7 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.3 | -175.7 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | Y297 S298 | Y297-S313 CarbonylContact O-C 3.33Å; Y297-S313 WeakPolarHBondContact O-CA 3.46Å; S298-S313 WeakPolarHBondContact CB-OG 3.48Å; S298-S313 PolarHBondContact OG-OG 2.82Å |
| 314 | V | 92 | Very high | 88.8 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.3 | 171.2 | 72.7 | 0 | 0 | 0 | 0 | 109.7 | I231 Y234 Y297 | I231-V314 HydrophobicContact CD1-CB 4.39Å; I231-V314 HydrophobicContact CD1-CG1 4.31Å; I231-V314 HydrophobicContact CG2-CB 4.36Å; I231-V314 HydrophobicContact CG2-CG1 3.99Å; Y234-V314 HydrophobicContact CD1-CG2 3.72Å; Y234-V314 HydrophobicContact CE1-CG2 4.22Å; Y297-V314 PolarHBondContact N-O 2.77Å; Y297-V314 PolarHBondContact O-N 3.26Å |
| 315 | R | 91.9 | Very high | 89.2 | Confident | 150 Ų | 150 | 47.4 Ų | 47.4 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.1 | 172.9 | -59.1 | -163.2 | -167.5 | 163.2 | 4.1 | 110.5 | D294 V295 | D294-R315 WeakPolarHBondContact OD1-CD 3.47Å; D294-R315 IonicContact OD1-CZ 2.71Å; D294-R315 IonicContact OD1-NE 3.99Å; D294-R315 IonicContact OD1-NH1 3.16Å; D294-R315 PolarHBondContact OD1-NH1 2.87Å; D294-R315 IonicContact OD2-NH1 2.76Å; V295-R315 VanDerWaalsContact O-CA 3.31Å; V295-R315 WeakPolarHBondContact O-CA 3.44Å |
| 316 | L | 90.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -93.6 | 138.6 | -178.1 | -52.9 | -176.7 | 0 | 0 | 0 | 110.2 | Y234 L239 F286 D294 Y297 V318 | Y234-L316 HydrophobicContact CD1-CD2 3.47Å; Y234-L316 VanDerWaalsContact CD1-CD2 3.47Å; Y234-L316 HydrophobicContact CD2-CD2 4.19Å; Y234-L316 HydrophobicContact CE1-CD2 3.5Å; Y234-L316 HydrophobicContact CE2-CD2 4.25Å; Y234-L316 HydrophobicContact CG-CD2 3.82Å; L239-L316 HydrophobicContact CD1-CB 4.36Å; L239-L316 HydrophobicContact CD1-CD1 4.38Å; L239-L316 HydrophobicContact CD1-CD2 4.28Å; F286-L316 HydrophobicContact CE2-CD1 4.31Å; F286-L316 HydrophobicContact CZ-CD1 3.76Å; D294-L316 PolarHBondContact N-O 3.49Å; Y297-L316 HydrophobicContact CD2-CD1 3.91Å; Y297-L316 HydrophobicContact CD2-CG 4.13Å; Y297-L316 HydrophobicContact CE2-CD1 3.79Å; Y297-L316 HydrophobicContact CE2-CG 4.42Å; L316-V318 HydrophobicContact CB-CG2 4.09Å |
| 317 | N | 91 | Very high | 90.3 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | trans | -100.2 | 116.4 | 166.6 | -178.8 | 10.3 | 0 | 0 | 0 | 107.9 | Y234 P238 L239 N349 | Y234-N317 PolarHBondContact OH-N 2.81Å; P238-N317 WeakPolarHBondContact CA-O 3.23Å; L239-N317 PolarHBondContact N-O 2.83Å; N317-N349 PolarHBondContact OD1-ND2 2.88Å | ||
| 318 | V | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.5 | -173.4 | -171.6 | 0 | 0 | 0 | 0 | 110 | L239 V288 D292 N293 L316 Y320 N349 | L239-V318 CarbonylContact O-C 3.44Å; L239-V318 WeakPolarHBondContact O-CA 2.92Å; V288-V318 HydrophobicContact CG1-CB 4.17Å; V288-V318 HydrophobicContact CG1-CG1 3.65Å; V288-V318 HydrophobicContact CG1-CG2 3.39Å; D292-V318 HydrophobicContact CB-CG2 4.04Å; N293-V318 HydrophobicContact CB-CB 4.08Å; N293-V318 HydrophobicContact CB-CG2 4.45Å; N293-V318 PolarHBondContact OD1-N 3.38Å; N293-V318 PolarHBondContact OD1-O 2.77Å; L316-V318 HydrophobicContact CB-CG2 4.09Å; V318-Y320 VanDerWaalsContact O-CD1 3.31Å; V318-Y320 WeakPolarHBondContact O-CD1 3.43Å; V318-N349 WeakPolarHBondContact O-CB 3.23Å; V318-N349 PolarHBondContact O-ND2 2.67Å |
| 319 | F | 92 | Very high | 91.1 | Very high | 33 Ų | 33 | 47 Ų | 47 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.9 | 171.8 | -69.2 | -4.8 | 0 | 0 | 0 | 110.3 | P238 L239 S241 N349 E406 L407 | P238-F319 HydrophobicContact CB-CD1 3.96Å; P238-F319 HydrophobicContact CB-CD2 4.09Å; P238-F319 HydrophobicContact CB-CE1 3.61Å; P238-F319 HydrophobicContact CB-CE2 3.74Å; P238-F319 HydrophobicContact CB-CG 4.2Å; P238-F319 HydrophobicContact CB-CZ 3.49Å; P238-F319 VanDerWaalsContact CB-CZ 3.49Å; P238-F319 HydrophobicContact CG-CE1 4.16Å; P238-F319 HydrophobicContact CG-CE2 4.26Å; P238-F319 HydrophobicContact CG-CZ 3.77Å; L239-F319 PolarHBondContact O-N 3.11Å; S241-F319 WeakPolarHBondContact CB-O 3.49Å; S241-F319 PolarHBondContact N-O 2.96Å; F319-N349 CarbonylContact C-O 3.49Å; F319-N349 WeakPolarHBondContact CA-O 3.5Å; F319-E406 HydrophobicContact CD2-CB 3.74Å; F319-E406 HydrophobicContact CD2-CG 4.11Å; F319-E406 HydrophobicContact CE2-CB 3.94Å; F319-E406 HydrophobicContact CE2-CG 3.79Å; F319-L407 HydrophobicContact CB-CD2 4.41Å |
| 320 | Y | 90.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -138.6 | 146.9 | -178.3 | 63.8 | -90.4 | 0 | 0 | 0 | 110.7 | G290 N293 V318 A347 S348 N349 M376 G378 N404 L407 | G290-Y320 VanDerWaalsContact CA-CD1 3.46Å; N293-Y320 HydrophobicContact CB-CD1 4.35Å; N293-Y320 HydrophobicContact CB-CE1 3.83Å; V318-Y320 VanDerWaalsContact O-CD1 3.31Å; V318-Y320 WeakPolarHBondContact O-CD1 3.43Å; Y320-A347 HydrophobicContact CE2-CB 4.47Å; Y320-A347 VanDerWaalsContact CE2-O 3.29Å; Y320-A347 WeakPolarHBondContact CE2-O 3.33Å; Y320-S348 PolarHBondContact O-OG 2.86Å; Y320-N349 HydrophobicContact CD1-CB 3.82Å; Y320-N349 HydrophobicContact CE1-CB 3.45Å; Y320-N349 VanDerWaalsContact CE1-CB 3.45Å; Y320-N349 PolarHBondContact N-O 2.88Å; Y320-N349 PolarHBondContact O-N 2.97Å; Y320-N349 VanDerWaalsContact O-N 3.17Å; Y320-M376 HydrophobicContact CD2-CE 4.1Å; Y320-M376 HydrophobicContact CD2-SD 4.48Å; Y320-M376 HydrophobicContact CE1-CB 4.21Å; Y320-M376 HydrophobicContact CE2-CB 4.19Å; Y320-M376 HydrophobicContact CE2-CE 3.56Å; Y320-M376 HydrophobicContact CE2-SD 4.13Å; Y320-M376 WeakPolarHBondContact OH-CB 3.49Å; Y320-M376 PolarHBondContact OH-O 2.93Å; Y320-G378 WeakPolarHBondContact OH-CA 3.34Å; Y320-G378 PolarHBondContact OH-N 3.04Å; Y320-G378 VanDerWaalsContact OH-N 3.11Å; Y320-N404 PolarHBondContact O-ND2 2.78Å; Y320-L407 VanDerWaalsContact C-CD1 3.48Å |
| 321 | P | 90.4 | Very high | 90.8 | Very high | 32 Ų | 32 | 53 Ų | 53 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | trans | -77.8 | 161.3 | -175.6 | 33 | -34.5 | 0 | 0 | 0 | 111.6 | D323 L407 G412 | P321-D323 PolarHBondContact O-N 2.9Å; P321-L407 HydrophobicContact CB-CD1 3.96Å; P321-L407 HydrophobicContact CG-CD1 4.25Å; P321-L407 VanDerWaalsContact N-CD1 3.33Å; P321-G412 VanDerWaalsContact CB-O 3.27Å; P321-G412 WeakPolarHBondContact CB-O 3.39Å | ||
| 322 | P | 90 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -62.4 | 126.8 | 170.7 | 27.1 | -33.5 | 0 | 0 | 0 | 110.7 | S324 A352 A402 K415 | P322-S324 VanDerWaalsContact C-N 3.27Å; P322-S324 PolarHBondContact O-N 3.06Å; P322-A352 HydrophobicContact CB-CB 4.45Å; P322-A352 HydrophobicContact CG-CB 3.97Å; P322-A402 HydrophobicContact CB-CB 4.46Å; P322-A402 HydrophobicContact CG-CB 3.94Å; P322-K415 WeakPolarHBondContact O-CD 3.19Å; P322-K415 WeakPolarHBondContact O-CE 3.26Å | ||
| 323 | D | 86.8 | Confident | 90 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67.9 | -27.4 | 177.8 | 66.8 | -14 | 0 | 0 | 0 | 113 | P321 G346 K415 | P321-D323 PolarHBondContact O-N 2.9Å; D323-G346 WeakPolarHBondContact OD1-CA 3.32Å; D323-K415 WeakPolarHBondContact O-CD 3.1Å; D323-K415 WeakPolarHBondContact O-CE 3.32Å; D323-K415 PolarHBondContact O-NZ 2.91Å |
| 324 | S | 89 | Confident | 89.6 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | trans | -146.1 | 160.7 | -169 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | P322 G346 | P322-S324 VanDerWaalsContact C-N 3.27Å; P322-S324 PolarHBondContact O-N 3.06Å; S324-G346 PolarHBondContact O-N 2.83Å; S324-G346 VanDerWaalsContact OG-CA 3.24Å; S324-G346 WeakPolarHBondContact OG-CA 3.45Å | ||
| 325 | V | 92.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 120 | 169.3 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | C343 M344 C400 A402 K415 V417 | V325-C343 WeakPolarHBondContact CG1-SG 3.32Å; V325-M344 WeakPolarHBondContact CA-O 3.48Å; V325-C400 HydrophobicContact CG1-CB 4.41Å; V325-A402 HydrophobicContact CG2-CB 3.54Å; V325-K415 HydrophobicContact CG2-CB 3.78Å; V325-V417 HydrophobicContact CB-CG2 4.16Å; V325-V417 VanDerWaalsContact O-CG2 3.29Å; V325-V417 WeakPolarHBondContact O-CG2 3.43Å |
| 326 | E | 91 | Very high | 88.4 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.8 | 177.3 | -68.8 | -174 | -163.6 | 0 | 0 | 109.7 | C343 M344 | E326-C343 CarbonylContact O-C 3.42Å; E326-C343 VanDerWaalsContact O-CA 3.27Å; E326-C343 WeakPolarHBondContact O-CA 3.39Å; E326-C343 PolarHBondContact O-SG 2.97Å; E326-M344 HydrophobicContact CB-CB 4.47Å; E326-M344 HydrophobicContact CB-CE 4.21Å; E326-M344 HydrophobicContact CG-CE 4.13Å; E326-M344 PolarHBondContact N-O 2.86Å; E326-M344 PolarHBondContact O-N 3.33Å; E326-M344 WeakPolarHBondContact OE2-CE 3.39Å |
| 327 | L | 93.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.9 | 177.9 | 177.6 | 55.9 | 0 | 0 | 0 | 110.1 | V329 C343 W356 V398 C400 V417 K419 | L327-V329 HydrophobicContact CD1-CG1 3.61Å; L327-V329 HydrophobicContact CD2-CG1 4.47Å; L327-V329 HydrophobicContact CG-CG1 3.91Å; L327-C343 HydrophobicContact CD1-CB 4.25Å; L327-W356 HydrophobicContact CD1-CH2 3.63Å; L327-W356 HydrophobicContact CD1-CZ3 3.54Å; L327-V398 HydrophobicContact CD1-CG1 4.32Å; L327-V398 HydrophobicContact CD2-CG1 4.26Å; L327-V398 WeakPolarHBondContact CD2-O 3.39Å; L327-C400 HydrophobicContact CD1-CB 3.99Å; L327-C400 HydrophobicContact CD2-CB 4.3Å; L327-V417 HydrophobicContact CB-CB 4.29Å; L327-V417 HydrophobicContact CB-CG1 3.83Å; L327-V417 HydrophobicContact CD2-CG1 4.21Å; L327-V417 WeakPolarHBondContact CD2-O 3.31Å; L327-K419 HydrophobicContact CB-CD 4.43Å; L327-K419 HydrophobicContact CD2-CB 3.93Å; L327-K419 HydrophobicContact CD2-CD 4.47Å; L327-K419 HydrophobicContact CD2-CG 4.1Å; L327-K419 HydrophobicContact CG-CB 4.48Å; L327-K419 HydrophobicContact CG-CD 4.23Å; L327-K419 HydrophobicContact CG-CG 4.41Å; L327-K419 WeakPolarHBondContact O-CD 3.22Å; L327-K419 VanDerWaalsContact O-CE 3.3Å; L327-K419 WeakPolarHBondContact O-CE 3.35Å; L327-K419 PolarHBondContact O-NZ 2.81Å |
| 328 | L | 92.5 | Very high | 87.8 | Confident | 113 Ų | 113 | 56.9 Ų | 56.9 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104.9 | 176.4 | -75.6 | 158.1 | 0 | 0 | 0 | 109.1 | S342 | L328-S342 PolarHBondContact N-O 2.91Å; L328-S342 PolarHBondContact O-N 3.3Å |
| 329 | V | 89.3 | Confident | 87.6 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | trans | -136.9 | 149.7 | 173.2 | -55 | 0 | 0 | 0 | 0 | 108.1 | L327 L341 V398 K419 I421 | L327-V329 HydrophobicContact CD1-CG1 3.61Å; L327-V329 HydrophobicContact CD2-CG1 4.47Å; L327-V329 HydrophobicContact CG-CG1 3.91Å; V329-L341 HydrophobicContact CB-CD2 3.92Å; V329-L341 HydrophobicContact CG1-CB 4.15Å; V329-L341 HydrophobicContact CG1-CD2 3.51Å; V329-L341 HydrophobicContact CG1-CG 4.4Å; V329-V398 HydrophobicContact CG1-CB 4.46Å; V329-V398 HydrophobicContact CG1-CG1 4.14Å; V329-K419 HydrophobicContact CG2-CB 3.56Å; V329-K419 HydrophobicContact CG2-CD 3.81Å; V329-K419 HydrophobicContact CG2-CG 4.33Å; V329-I421 HydrophobicContact CB-CD1 4.05Å; V329-I421 HydrophobicContact CB-CG1 4.25Å; V329-I421 HydrophobicContact CG2-CD1 4.45Å; V329-I421 HydrophobicContact CG2-CG1 4.11Å | ||
| 330 | P | 88.4 | Confident | 87.4 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 31% | 0.312 | 32% | 0.323 | S | S | . | . | trans | -68.2 | 147.8 | 171.9 | 31.1 | -35.5 | 0 | 0 | 0 | 110.4 | S332 V339 | P330-S332 PolarHBondContact O-N 2.89Å; P330-V339 VanDerWaalsContact CD-CG1 3.49Å; P330-V339 HydrophobicContact CG-CG1 3.43Å; P330-V339 VanDerWaalsContact CG-CG1 3.43Å; P330-V339 HydrophobicContact CG-CG2 4.4Å | ||
| 331 | E | 85.1 | Confident | 87.4 | Confident | 174 Ų | 174 | 59.1 Ų | 59.1 | 81% | 0.813 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -65.5 | -27.5 | 178.2 | -59.9 | 177.5 | 166.4 | 0 | 0 | 112.3 | S422 | E331-S422 PolarHBondContact O-N 3Š|
| 332 | S | 85.3 | Confident | 87.6 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.3 | -179.6 | 60 | 0 | 0 | 0 | 0 | 112.3 | P330 S422 | P330-S332 PolarHBondContact O-N 2.89Å; S332-S422 CarbonylContact C-O 3.59Å; S332-S422 WeakPolarHBondContact CA-O 3.28Å; S332-S422 VanDerWaalsContact CB-O 3.25Å; S332-S422 WeakPolarHBondContact CB-O 3.42Å |
| 333 | A | 85.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 149.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V339 M389 I421 S422 I423 L424 | A333-V339 HydrophobicContact CB-CG2 3.46Å; A333-V339 VanDerWaalsContact CB-CG2 3.46Å; A333-M389 HydrophobicContact CB-CG 3.94Å; A333-I421 HydrophobicContact CB-CG2 3.98Å; A333-S422 PolarHBondContact N-O 2.99Å; A333-I423 CarbonylContact O-C 3.59Å; A333-I423 WeakPolarHBondContact O-CA 3.48Å; A333-L424 PolarHBondContact O-N 2.85Å |
| 334 | R | 84 | Confident | 88.2 | Confident | 146 Ų | 146 | 56.7 Ų | 56.7 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 151.4 | 178 | -64.6 | -177.6 | -179.9 | -168.7 | -1.8 | 111.6 | G336 Q337 L424 | R334-G336 PolarHBondContact O-N 2.76Å; R334-Q337 HydrophobicContact CB-CB 4.37Å; R334-Q337 WeakPolarHBondContact O-CB 3.31Å; R334-Q337 PolarHBondContact O-N 3.12Å; R334-L424 WeakPolarHBondContact CA-O 3.3Å |
| 335 | V | 80.5 | Confident | 88.4 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 38% | 0.376 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 133.6 | 168.5 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | Q337 I391 I423 L424 Y425 | V335-Q337 VanDerWaalsContact C-N 3.28Å; V335-Q337 PolarHBondContact O-N 3.08Å; V335-I391 HydrophobicContact CG1-CB 4.35Å; V335-I391 HydrophobicContact CG2-CB 4.13Å; V335-I391 HydrophobicContact CG2-CD1 4.29Å; V335-I391 HydrophobicContact CG2-CG1 4.18Å; V335-I423 HydrophobicContact CG2-CG2 3.44Å; V335-I423 VanDerWaalsContact CG2-CG2 3.44Å; V335-L424 PolarHBondContact N-O 2.85Å; V335-Y425 HydrophobicContact CG2-CD1 4.25Å; V335-Y425 HydrophobicContact CG2-CG 4.37Å |
| 336 | G | 76.9 | Confident | 88.2 | Confident | 38 Ų | 38 | 54 Ų | 54 | 39% | 0.392 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -11.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R334 Q388 M389 | R334-G336 PolarHBondContact O-N 2.76Å; G336-Q388 WeakPolarHBondContact O-CG 3.44Å; G336-Q388 PolarHBondContact O-NE2 3.1Å; G336-M389 PolarHBondContact N-O 3.25Å |
| 337 | Q | 84.4 | Confident | 88.2 | Confident | 87 Ų | 87 | 49 Ų | 49 | 41% | 0.407 | 27% | 0.268 | S | S | . | . | trans | -69.3 | 136.2 | -179.4 | -173.9 | 178.6 | -16 | 0 | 0 | 111.7 | R334 V335 V339 Q388 M389 | R334-Q337 HydrophobicContact CB-CB 4.37Å; R334-Q337 WeakPolarHBondContact O-CB 3.31Å; R334-Q337 PolarHBondContact O-N 3.12Å; V335-Q337 VanDerWaalsContact C-N 3.28Å; V335-Q337 PolarHBondContact O-N 3.08Å; Q337-V339 HydrophobicContact CG-CG2 4.39Å; Q337-Q388 WeakPolarHBondContact O-CA 3.27Å; Q337-M389 PolarHBondContact O-N 3.01Å | ||
| 338 | M | 84.5 | Confident | 88.2 | Confident | 113 Ų | 113 | 48.8 Ų | 48.8 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.2 | 165.7 | -69.6 | -63.2 | -70.1 | 0 | 0 | 109.7 | Q388 | M338-Q388 HydrophobicContact SD-CB 3.55Å; M338-Q388 VanDerWaalsContact SD-CB 3.55Å; M338-Q388 HydrophobicContact SD-CG 3.87Å |
| 339 | V | 86.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | P330 A333 Q337 L341 S386 V387 M389 I421 | P330-V339 VanDerWaalsContact CD-CG1 3.49Å; P330-V339 HydrophobicContact CG-CG1 3.43Å; P330-V339 VanDerWaalsContact CG-CG1 3.43Å; P330-V339 HydrophobicContact CG-CG2 4.4Å; A333-V339 HydrophobicContact CB-CG2 3.46Å; A333-V339 VanDerWaalsContact CB-CG2 3.46Å; Q337-V339 HydrophobicContact CG-CG2 4.39Å; V339-L341 HydrophobicContact CG1-CD2 3.62Å; V339-L341 HydrophobicContact CG1-CG 4.43Å; V339-S386 CarbonylContact O-C 3.48Å; V339-S386 VanDerWaalsContact O-CA 3.28Å; V339-S386 WeakPolarHBondContact O-CA 3.35Å; V339-V387 PolarHBondContact N-O 3.36Å; V339-V387 PolarHBondContact O-N 3.17Å; V339-M389 HydrophobicContact CB-CE 3.66Å; V339-M389 HydrophobicContact CG1-CE 4.17Å; V339-M389 HydrophobicContact CG2-CE 3.75Å; V339-M389 HydrophobicContact CG2-CG 3.85Å; V339-I421 HydrophobicContact CG1-CD1 4.33Å |
| 340 | S | 88.2 | Confident | 88.2 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 57% | 0.566 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.9 | 168.5 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 341 | L | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.5 | 178.5 | -47.4 | 171.4 | 0 | 0 | 0 | 106.8 | V329 V339 W356 I358 N384 V385 V387 V398 I421 | V329-L341 HydrophobicContact CB-CD2 3.92Å; V329-L341 HydrophobicContact CG1-CB 4.15Å; V329-L341 HydrophobicContact CG1-CD2 3.51Å; V329-L341 HydrophobicContact CG1-CG 4.4Å; V339-L341 HydrophobicContact CG1-CD2 3.62Å; V339-L341 HydrophobicContact CG1-CG 4.43Å; L341-W356 HydrophobicContact CB-CH2 3.69Å; L341-W356 HydrophobicContact CB-CZ3 3.71Å; L341-W356 HydrophobicContact CD1-CZ3 4.4Å; L341-I358 HydrophobicContact CD1-CD1 3.36Å; L341-I358 HydrophobicContact CD1-CG1 4.4Å; L341-N384 CarbonylContact O-C 3.59Å; L341-N384 VanDerWaalsContact O-CA 3.24Å; L341-N384 WeakPolarHBondContact O-CA 3.46Å; L341-V385 WeakPolarHBondContact CB-O 3.33Å; L341-V385 PolarHBondContact N-O 3.29Å; L341-V385 PolarHBondContact O-N 2.87Å; L341-V387 HydrophobicContact CD1-CG2 4.16Å; L341-V398 HydrophobicContact CD1-CG1 4.06Å; L341-V398 HydrophobicContact CD1-CG2 4.15Å; L341-V398 HydrophobicContact CD2-CG2 4.33Å; L341-I421 HydrophobicContact CD2-CD1 3.55Å |
| 342 | S | 93.9 | Very high | 88.6 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.5 | -180 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | L328 N384 | L328-S342 PolarHBondContact N-O 2.91Å; L328-S342 PolarHBondContact O-N 3.3Å; S342-N384 WeakPolarHBondContact CA-OD1 3.47Å; S342-N384 WeakPolarHBondContact CB-OD1 3.35Å; S342-N384 PolarHBondContact OG-OD1 3.06Å |
| 343 | C | 94.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.7 | 177.2 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | V325 E326 L327 I354 W356 F382 S383 C400 | V325-C343 WeakPolarHBondContact CG1-SG 3.32Å; E326-C343 CarbonylContact O-C 3.42Å; E326-C343 VanDerWaalsContact O-CA 3.27Å; E326-C343 WeakPolarHBondContact O-CA 3.39Å; E326-C343 PolarHBondContact O-SG 2.97Å; L327-C343 HydrophobicContact CD1-CB 4.25Å; C343-I354 HydrophobicContact CB-CG2 4.27Å; C343-W356 HydrophobicContact CB-CH2 3.55Å; C343-W356 HydrophobicContact CB-CZ2 3.38Å; C343-W356 HydrophobicContact CB-CZ3 4.47Å; C343-F382 CarbonylContact O-C 3.52Å; C343-F382 WeakPolarHBondContact O-CA 3.43Å; C343-S383 PolarHBondContact N-O 3.44Å; C343-S383 PolarHBondContact O-N 3.22Å; C343-C400 HydrophobicContact CB-CB 3.78Å; C343-C400 WeakPolarHBondContact CB-SG 3.4Å; C343-C400 WeakPolarHBondContact SG-CB 3.43Å; C343-C400 CovalentContact SG-SG 2.02Å; C343-C400 PolarHBondContact SG-SG 2.83Å |
| 344 | M | 94.2 | Very high | 89.3 | Confident | 44 Ų | 44 | 37.6 Ų | 37.6 | 22% | 0.217 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.9 | 178.1 | 176.2 | 179.9 | 65.5 | 0 | 0 | 109.7 | V325 E326 T381 F382 | V325-M344 WeakPolarHBondContact CA-O 3.48Å; E326-M344 HydrophobicContact CB-CB 4.47Å; E326-M344 HydrophobicContact CB-CE 4.21Å; E326-M344 HydrophobicContact CG-CE 4.13Å; E326-M344 PolarHBondContact N-O 2.86Å; E326-M344 PolarHBondContact O-N 3.33Å; E326-M344 WeakPolarHBondContact OE2-CE 3.39Å; M344-T381 CarbonylContact C-O 3.45Å; M344-T381 WeakPolarHBondContact CA-O 3.31Å; M344-F382 HydrophobicContact CB-CD1 3.99Å; M344-F382 HydrophobicContact CB-CE1 4.09Å; M344-F382 HydrophobicContact CG-CD1 3.91Å; M344-F382 HydrophobicContact CG-CE1 3.61Å; M344-F382 HydrophobicContact CG-CE2 4.5Å; M344-F382 HydrophobicContact CG-CZ 3.91Å; M344-F382 HydrophobicContact SD-CD1 4.13Å; M344-F382 HydrophobicContact SD-CE1 3.25Å; M344-F382 WeakPolarHBondContact SD-CE1 3.16Å; M344-F382 HydrophobicContact SD-CZ 3.49Å; M344-F382 WeakPolarHBondContact SD-CZ 3.3Å |
| 345 | S | 93.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 151.8 | 167.1 | 76.4 | 0 | 0 | 0 | 0 | 111.4 | H380 T381 | S345-H380 PolarHBondContact O-ND1 2.75Å; S345-T381 PolarHBondContact N-O 2.88Å; S345-T381 PolarHBondContact OG-N 3.09Å |
| 346 | G | 90.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -58.3 | 176 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D323 S324 S348 | D323-G346 WeakPolarHBondContact OD1-CA 3.32Å; S324-G346 PolarHBondContact O-N 2.83Å; S324-G346 VanDerWaalsContact OG-CA 3.24Å; S324-G346 WeakPolarHBondContact OG-CA 3.45Å; G346-S348 PolarHBondContact O-N 3.17Å | ||
| 347 | A | 90.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | trans | -65.3 | 130.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y320 A375 F379 H380 | Y320-A347 HydrophobicContact CE2-CB 4.47Å; Y320-A347 VanDerWaalsContact CE2-O 3.29Å; Y320-A347 WeakPolarHBondContact CE2-O 3.33Å; A347-A375 HydrophobicContact CB-CB 4.26Å; A347-F379 WeakPolarHBondContact CA-O 3.29Å; A347-H380 PolarHBondContact N-CE1 2.8Å | ||
| 348 | S | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -139.1 | 149.6 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | Y320 G346 P350 F379 N404 | Y320-S348 PolarHBondContact O-OG 2.86Å; G346-S348 PolarHBondContact O-N 3.17Å; S348-P350 CarbonylContact C-O 3.56Å; S348-P350 VanDerWaalsContact C-O 3.25Å; S348-P350 WeakPolarHBondContact CB-O 3.44Å; S348-P350 PolarHBondContact OG-O 3.43Å; S348-F379 PolarHBondContact N-O 3.15Å; S348-F379 PolarHBondContact O-N 3.46Å; S348-N404 PolarHBondContact OG-ND2 3.48Å; S348-N404 VanDerWaalsContact OG-ND2 3.13Å |
| 349 | N | 91.6 | Very high | 91.1 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -130.3 | 124.6 | 166.6 | -173.1 | 30.5 | 0 | 0 | 0 | 109.2 | N293 N317 V318 F319 Y320 N404 | N293-N349 PolarHBondContact OD1-ND2 2.71Å; N317-N349 PolarHBondContact OD1-ND2 2.88Å; V318-N349 WeakPolarHBondContact O-CB 3.23Å; V318-N349 PolarHBondContact O-ND2 2.67Å; F319-N349 CarbonylContact C-O 3.49Å; F319-N349 WeakPolarHBondContact CA-O 3.5Å; Y320-N349 HydrophobicContact CD1-CB 3.82Å; Y320-N349 HydrophobicContact CE1-CB 3.45Å; Y320-N349 VanDerWaalsContact CE1-CB 3.45Å; Y320-N349 PolarHBondContact N-O 2.88Å; Y320-N349 PolarHBondContact O-N 2.97Å; Y320-N349 VanDerWaalsContact O-N 3.17Å; N349-N404 PolarHBondContact O-ND2 3.33Å |
| 350 | P | 90.8 | Very high | 90.9 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 19% | 0.188 | 17% | 0.166 | C | C | . | . | S | Bend | cis | -56.6 | 172.3 | -15.8 | 27.1 | -36.8 | 0 | 0 | 0 | 113.2 | S348 A352 N404 E406 | S348-P350 CarbonylContact C-O 3.56Å; S348-P350 VanDerWaalsContact C-O 3.25Å; S348-P350 WeakPolarHBondContact CB-O 3.44Å; S348-P350 PolarHBondContact OG-O 3.43Å; P350-A352 PolarHBondContact O-N 2.95Å; P350-N404 WeakPolarHBondContact CD-OD1 3.33Å; P350-E406 HydrophobicContact CG-CB 4.17Å; P350-E406 HydrophobicContact CG-CG 3.6Å |
| 351 | P | 91.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 33% | 0.325 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -54.4 | 130 | 174.5 | 21.8 | -34.6 | 0 | 0 | 0 | 112.1 | V370 F379 | P351-V370 HydrophobicContact CB-CB 4.44Å; P351-V370 HydrophobicContact CB-CG1 3.59Å; P351-V370 HydrophobicContact CB-CG2 3.9Å; P351-V370 HydrophobicContact CG-CG1 4.08Å; P351-V370 HydrophobicContact CG-CG2 4.34Å; P351-F379 HydrophobicContact CB-CB 3.74Å; P351-F379 HydrophobicContact CB-CD2 4.41Å; P351-F379 HydrophobicContact CB-CG 4.15Å; P351-F379 HydrophobicContact CG-CD2 4.42Å; P351-F379 HydrophobicContact CG-CG 4.45Å |
| 352 | A | 91.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 148.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P322 P350 T381 A402 V403 | P322-A352 HydrophobicContact CB-CB 4.45Å; P322-A352 HydrophobicContact CG-CB 3.97Å; P350-A352 PolarHBondContact O-N 2.95Å; A352-T381 WeakPolarHBondContact O-CB 3.45Å; A352-T381 VanDerWaalsContact O-CG2 3.25Å; A352-T381 WeakPolarHBondContact O-CG2 3.38Å; A352-T381 PolarHBondContact O-OG1 3.32Å; A352-A402 HydrophobicContact CB-CB 4.06Å; A352-V403 CarbonylContact C-O 3.56Å; A352-V403 WeakPolarHBondContact CA-O 3.39Å |
| 353 | K | 91.3 | Very high | 90.2 | Very high | 80 Ų | 80 | 34.5 Ų | 34.5 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.6 | 176.4 | -173.5 | 176.6 | -172.9 | 170.7 | 0 | 109.8 | A402 V403 E405 | K353-A402 WeakPolarHBondContact O-CA 3.35Å; K353-V403 PolarHBondContact N-O 3.28Å; K353-V403 PolarHBondContact O-N 3.35Å; K353-E405 VanDerWaalsContact CD-CD 3.46Å; K353-E405 HydrophobicContact CD-CG 4.33Å; K353-E405 VanDerWaalsContact CD-OE1 3.3Å; K353-E405 WeakPolarHBondContact CD-OE1 3.22Å; K353-E405 WeakPolarHBondContact CD-OE2 3.39Å; K353-E405 IonicContact NZ-OE1 3.59Å; K353-E405 PolarHBondContact NZ-OE1 3.46Å; K353-E405 IonicContact NZ-OE2 2.64Å; K353-E405 PolarHBondContact NZ-OE2 2.9Å |
| 354 | I | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.9 | 175.6 | -54.1 | -58.6 | 0 | 0 | 0 | 109.7 | C343 N366 N368 T381 C400 S401 A402 | C343-I354 HydrophobicContact CB-CG2 4.27Å; I354-N366 PolarHBondContact O-ND2 3.39Å; I354-N368 VanDerWaalsContact CB-OD1 3.23Å; I354-N368 WeakPolarHBondContact CB-OD1 3.43Å; I354-N368 PolarHBondContact N-OD1 2.99Å; I354-T381 HydrophobicContact CG1-CG2 4.04Å; I354-C400 WeakPolarHBondContact CG2-SG 3.18Å; I354-S401 CarbonylContact C-O 3.55Å; I354-S401 WeakPolarHBondContact CA-O 3.48Å; I354-A402 HydrophobicContact CD1-CB 3.84Å |
| 355 | L | 91.6 | Very high | 88.5 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.9 | 172.2 | -59.3 | 176.1 | 0 | 0 | 0 | 109.6 | S401 V403 | L355-S401 PolarHBondContact N-O 3.33Å; L355-S401 PolarHBondContact O-N 3.46Å; L355-V403 HydrophobicContact CD1-CG2 3.81Å; L355-V403 HydrophobicContact CG-CG2 4.38Å |
| 356 | W | 93.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.2 | 179.9 | -68.9 | 93.6 | 0 | 0 | 0 | 111.3 | L327 L341 C343 P362 I363 S383 V385 V398 C400 | L327-W356 HydrophobicContact CD1-CH2 3.63Å; L327-W356 HydrophobicContact CD1-CZ3 3.54Å; L341-W356 HydrophobicContact CB-CH2 3.69Å; L341-W356 HydrophobicContact CB-CZ3 3.71Å; L341-W356 HydrophobicContact CD1-CZ3 4.4Å; C343-W356 HydrophobicContact CB-CH2 3.55Å; C343-W356 HydrophobicContact CB-CZ2 3.38Å; C343-W356 HydrophobicContact CB-CZ3 4.47Å; W356-P362 WeakPolarHBondContact O-CA 3.49Å; W356-I363 HydrophobicContact CB-CB 4.18Å; W356-I363 PolarHBondContact O-N 3.46Å; W356-S383 WeakPolarHBondContact CZ2-O 3.3Å; W356-S383 PolarHBondContact NE1-OG 3.49Å; W356-V385 HydrophobicContact CD2-CG2 4.12Å; W356-V385 HydrophobicContact CG-CG2 3.97Å; W356-V398 HydrophobicContact CE3-CG1 3.84Å; W356-V398 HydrophobicContact CZ3-CG1 3.57Å; W356-C400 HydrophobicContact CE3-CB 4.38Å; W356-C400 HydrophobicContact CZ3-CB 4.3Å |
| 357 | V | 91.3 | Very high | 87.8 | Confident | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.4 | 167 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | P362 V399 | V357-P362 HydrophobicContact CG2-CB 4.3Å; V357-V399 HydrophobicContact CB-CB 4.23Å; V357-V399 PolarHBondContact N-O 2.96Å; V357-V399 PolarHBondContact O-N 3.5Å |
| 358 | I | 88.2 | Confident | 87.6 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.1 | -179.2 | -60.6 | -178.2 | 0 | 0 | 0 | 106.9 | L341 G360 K361 I363 V387 V396 V398 | L341-I358 HydrophobicContact CD1-CD1 3.36Å; L341-I358 HydrophobicContact CD1-CG1 4.4Å; I358-G360 PolarHBondContact O-N 3.47Å; I358-K361 PolarHBondContact N-O 3.17Å; I358-K361 WeakPolarHBondContact O-CB 3.48Å; I358-K361 PolarHBondContact O-N 2.86Å; I358-I363 HydrophobicContact CD1-CD1 3.65Å; I358-I363 HydrophobicContact CG1-CD1 4.28Å; I358-V387 HydrophobicContact CD1-CG2 3.56Å; I358-V396 HydrophobicContact CG2-CG1 3.56Å; I358-V398 HydrophobicContact CG1-CG1 4.38Å; I358-V398 HydrophobicContact CG1-CG2 4.44Å |
| 359 | D | 83.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 30.8 | 176.9 | -110.9 | 26.7 | 0 | 0 | 0 | 115.5 | K361 R393 V396 N397 | D359-K361 VanDerWaalsContact C-N 3.33Å; D359-R393 PolarHBondContact O-NH1 3.31Å; D359-R393 IonicContact OD1-NH1 3.13Å; D359-R393 WeakPolarHBondContact OD2-CD 3.38Å; D359-R393 IonicContact OD2-CZ 2.73Å; D359-R393 IonicContact OD2-NE 3.98Å; D359-R393 IonicContact OD2-NH1 3.77Å; D359-R393 PolarHBondContact OD2-NH1 2.96Å; D359-V396 HydrophobicContact CB-CG1 4.38Å; D359-V396 WeakPolarHBondContact OD1-CA 3.26Å; D359-N397 PolarHBondContact N-O 2.89Å; D359-N397 PolarHBondContact OD1-N 3.26Å |
| 360 | G | 82.8 | Confident | 87.5 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -8.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I358 | I358-G360 PolarHBondContact O-N 3.47Š|
| 361 | K | 86 | Confident | 87.5 | Confident | 142 Ų | 142 | 71 Ų | 71 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.9 | 177.7 | -63.4 | 173 | -177.7 | 168 | 0 | 109.6 | I358 D359 | I358-K361 PolarHBondContact N-O 3.17Å; I358-K361 WeakPolarHBondContact O-CB 3.48Å; I358-K361 PolarHBondContact O-N 2.86Å; D359-K361 VanDerWaalsContact C-N 3.33Å |
| 362 | P | 88.9 | Confident | 87.4 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 60% | 0.597 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 136.6 | 176.6 | 29.9 | -33.7 | 0 | 0 | 0 | 110.9 | W356 V357 | W356-P362 WeakPolarHBondContact O-CA 3.49Å; V357-P362 HydrophobicContact CG2-CB 4.3Å |
| 363 | I | 84.5 | Confident | 87.2 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 27% | 0.267 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118.6 | 171.6 | -68.4 | -176 | 0 | 0 | 0 | 108.3 | W356 I358 E365 V385 V387 | W356-I363 HydrophobicContact CB-CB 4.18Å; W356-I363 PolarHBondContact O-N 3.46Å; I358-I363 HydrophobicContact CD1-CD1 3.65Å; I358-I363 HydrophobicContact CG1-CD1 4.28Å; I363-E365 WeakPolarHBondContact CG2-O 3.39Å; I363-V385 HydrophobicContact CD1-CG1 3.7Å; I363-V387 HydrophobicContact CD1-CG2 4.46Å |
| 364 | K | 77.5 | Confident | 86.8 | Confident | 197 Ų | 197 | 77.6 Ų | 77.6 | 86% | 0.857 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -77.6 | -29.4 | -175.7 | -65.6 | -176.6 | 178.3 | -179.1 | 0 | 113.5 | ||
| 365 | E | 75.9 | Confident | 86.1 | Confident | 179 Ų | 179 | 79.9 Ų | 79.9 | 84% | 0.836 | 44% | 0.442 | S | S | * | . | trans | -120 | 107 | -173.8 | -68.7 | 178.1 | -162.5 | 0 | 0 | 109.6 | I363 | I363-E365 WeakPolarHBondContact CG2-O 3.39Š| ||
| 366 | N | 81 | Confident | 85.8 | Confident | 33 Ų | 33 | 79.9 Ų | 79.9 | 18% | 0.176 | 44% | 0.441 | C | S | . | . | trans | -140.7 | 140.8 | 171 | 68.5 | -58.5 | 0 | 0 | 0 | 109.9 | I354 S383 V385 | I354-N366 PolarHBondContact O-ND2 3.39Å; N366-S383 PolarHBondContact ND2-OG 3.49Å; N366-V385 HydrophobicContact CB-CG2 4.09Å | ||
| 367 | V | 86.3 | Confident | 85.4 | Confident | 112 Ų | 112 | 84.7 Ų | 84.7 | 68% | 0.679 | 46% | 0.462 | S | S | * | . | trans | -80.2 | 131 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | S383 | V367-S383 WeakPolarHBondContact O-CA 3.44Å; V367-S383 VanDerWaalsContact O-CB 3.32Å; V367-S383 WeakPolarHBondContact O-CB 3.35Å; V367-S383 PolarHBondContact O-OG 3.46Å | ||
| 368 | N | 88.3 | Confident | 85.3 | Confident | 53 Ų | 53 | 83 Ų | 83 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | trans | -108.6 | 112.5 | 174.6 | -75 | -65.9 | 0 | 0 | 0 | 108.8 | I354 T381 | I354-N368 VanDerWaalsContact CB-OD1 3.23Å; I354-N368 WeakPolarHBondContact CB-OD1 3.43Å; I354-N368 PolarHBondContact N-OD1 2.99Å; N368-T381 HydrophobicContact CB-CG2 3.82Å | ||
| 369 | T | 90.1 | Very high | 85.6 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.2 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | T381 F382 | T369-T381 WeakPolarHBondContact O-CA 3.19Å; T369-F382 PolarHBondContact N-O 2.97Å; T369-F382 PolarHBondContact O-N 3.23Å |
| 370 | V | 91.6 | Very high | 86 | Confident | 68 Ų | 68 | 86 Ų | 86 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.9 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | P351 F379 T381 | P351-V370 HydrophobicContact CB-CB 4.44Å; P351-V370 HydrophobicContact CB-CG1 3.59Å; P351-V370 HydrophobicContact CB-CG2 3.9Å; P351-V370 HydrophobicContact CG-CG1 4.08Å; P351-V370 HydrophobicContact CG-CG2 4.34Å; V370-F379 HydrophobicContact CG1-CB 3.78Å; V370-F379 HydrophobicContact CG1-CD1 3.73Å; V370-F379 HydrophobicContact CG1-CG 4.01Å; V370-T381 HydrophobicContact CG2-CG2 4.29Å |
| 371 | R | 89.5 | Confident | 86.5 | Confident | 149 Ų | 149 | 83 Ų | 83 | 56% | 0.562 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.7 | 172.2 | -63.8 | -176.4 | 173.7 | 169.8 | -3.1 | 111 | F379 H380 F382 | R371-F379 CarbonylContact O-C 3.52Å; R371-F379 VanDerWaalsContact O-CA 3.3Å; R371-F379 WeakPolarHBondContact O-CA 3.24Å; R371-H380 PolarHBondContact N-O 2.81Å; R371-H380 PolarHBondContact O-N 3.39Å; R371-F382 HydrophobicContact CB-CE2 4.05Å; R371-F382 HydrophobicContact CG-CD2 4.3Å; R371-F382 HydrophobicContact CG-CE2 3.99Å |
| 372 | P | 89.4 | Confident | 86.8 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 71% | 0.714 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 143.8 | 171.4 | -21.6 | 33.3 | 0 | 0 | 0 | 111.9 | ||
| 373 | S | 87.1 | Confident | 87 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | trans | -103.1 | 146.9 | 172 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | A375 G378 H380 | S373-A375 VanDerWaalsContact C-N 3.34Å; S373-A375 PolarHBondContact OG-N 3.07Å; S373-G378 WeakPolarHBondContact CB-O 3.09Å; S373-G378 PolarHBondContact N-O 2.77Å; S373-H380 WeakPolarHBondContact CB-CD2 3.15Å; S373-H380 WeakPolarHBondContact CB-NE2 3.42Å; S373-H380 PolarHBondContact OG-CD2 2.77Å; S373-H380 VanDerWaalsContact OG-CD2 3.31Å; S373-H380 PolarHBondContact OG-NE2 2.86Å | ||
| 374 | T | 82.8 | Confident | 87.3 | Confident | 148 Ų | 148 | 76.6 Ų | 76.6 | 91% | 0.908 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -76.8 | -24.6 | 164.9 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | M376 | T374-M376 PolarHBondContact O-N 2.9Š|
| 375 | A | 79.1 | Confident | 87.9 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -79.2 | 119.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | A347 S373 K377 G378 | A347-A375 HydrophobicContact CB-CB 4.26Å; S373-A375 VanDerWaalsContact C-N 3.34Å; S373-A375 PolarHBondContact OG-N 3.07Å; A375-K377 PolarHBondContact O-N 2.79Å; A375-G378 PolarHBondContact O-N 3.41Å |
| 376 | M | 84.1 | Confident | 88.4 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 14.9 | 177.9 | -58.2 | -177.3 | -75.5 | 0 | 0 | 114.2 | G290 N293 Y320 T374 G378 | G290-M376 WeakPolarHBondContact O-CB 3.44Å; N293-M376 WeakPolarHBondContact CB-O 3.49Å; N293-M376 PolarHBondContact ND2-O 2.86Å; Y320-M376 HydrophobicContact CD2-CE 4.1Å; Y320-M376 HydrophobicContact CD2-SD 4.48Å; Y320-M376 HydrophobicContact CE1-CB 4.21Å; Y320-M376 HydrophobicContact CE2-CB 4.19Å; Y320-M376 HydrophobicContact CE2-CE 3.56Å; Y320-M376 HydrophobicContact CE2-SD 4.13Å; Y320-M376 WeakPolarHBondContact OH-CB 3.49Å; Y320-M376 PolarHBondContact OH-O 2.93Å; T374-M376 PolarHBondContact O-N 2.9Å; M376-G378 PolarHBondContact O-N 3.31Å; M376-G378 VanDerWaalsContact O-N 3.09Å |
| 377 | K | 86.2 | Confident | 88.6 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 26.8 | -177.7 | -59.8 | 170.6 | 175.4 | 177.6 | 0 | 114.9 | D294 A375 | D294-K377 HydrophobicContact CB-CD 3.68Å; D294-K377 PolarHBondContact O-NZ 3.24Å; D294-K377 WeakPolarHBondContact OD2-CD 3.43Å; D294-K377 WeakPolarHBondContact OD2-CE 3.5Å; D294-K377 IonicContact OD2-NZ 2.7Å; D294-K377 PolarHBondContact OD2-NZ 3.41Å; A375-K377 PolarHBondContact O-N 2.79Å |
| 378 | G | 89.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | trans | -88.5 | -148.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y320 S373 A375 M376 | Y320-G378 WeakPolarHBondContact OH-CA 3.34Å; Y320-G378 PolarHBondContact OH-N 3.04Å; Y320-G378 VanDerWaalsContact OH-N 3.11Å; S373-G378 WeakPolarHBondContact CB-O 3.09Å; S373-G378 PolarHBondContact N-O 2.77Å; A375-G378 PolarHBondContact O-N 3.41Å; M376-G378 PolarHBondContact O-N 3.31Å; M376-G378 VanDerWaalsContact O-N 3.09Å | ||
| 379 | F | 92.9 | Very high | 88.4 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 29% | 0.285 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.3 | -175 | -56.4 | -90.3 | 0 | 0 | 0 | 112.3 | A347 S348 P351 V370 R371 | A347-F379 WeakPolarHBondContact CA-O 3.29Å; S348-F379 PolarHBondContact N-O 3.15Å; S348-F379 PolarHBondContact O-N 3.46Å; P351-F379 HydrophobicContact CB-CB 3.74Å; P351-F379 HydrophobicContact CB-CD2 4.41Å; P351-F379 HydrophobicContact CB-CG 4.15Å; P351-F379 HydrophobicContact CG-CD2 4.42Å; P351-F379 HydrophobicContact CG-CG 4.45Å; V370-F379 HydrophobicContact CG1-CB 3.78Å; V370-F379 HydrophobicContact CG1-CD1 3.73Å; V370-F379 HydrophobicContact CG1-CG 4.01Å; R371-F379 CarbonylContact O-C 3.52Å; R371-F379 VanDerWaalsContact O-CA 3.3Å; R371-F379 WeakPolarHBondContact O-CA 3.24Å |
| 380 | H | 91.7 | Very high | 87.9 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 21% | 0.208 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.6 | 165.3 | -66.6 | -77.3 | 0 | 0 | 0 | 109.3 | S345 A347 R371 S373 F382 | S345-H380 PolarHBondContact O-ND1 2.75Å; A347-H380 PolarHBondContact N-CE1 2.8Å; R371-H380 PolarHBondContact N-O 2.81Å; R371-H380 PolarHBondContact O-N 3.39Å; S373-H380 WeakPolarHBondContact CB-CD2 3.15Å; S373-H380 WeakPolarHBondContact CB-NE2 3.42Å; S373-H380 PolarHBondContact OG-CD2 2.77Å; S373-H380 VanDerWaalsContact OG-CD2 3.31Å; S373-H380 PolarHBondContact OG-NE2 2.86Å; H380-F382 HydrophobicContact CB-CE2 3.66Å; H380-F382 HydrophobicContact CB-CZ 4.1Å |
| 381 | T | 93.8 | Very high | 87 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.4 | 173.8 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | M344 S345 A352 I354 N368 T369 V370 | M344-T381 CarbonylContact C-O 3.45Å; M344-T381 WeakPolarHBondContact CA-O 3.31Å; S345-T381 PolarHBondContact N-O 2.88Å; S345-T381 PolarHBondContact OG-N 3.09Å; A352-T381 WeakPolarHBondContact O-CB 3.45Å; A352-T381 VanDerWaalsContact O-CG2 3.25Å; A352-T381 WeakPolarHBondContact O-CG2 3.38Å; A352-T381 PolarHBondContact O-OG1 3.32Å; I354-T381 HydrophobicContact CG1-CG2 4.04Å; N368-T381 HydrophobicContact CB-CG2 3.82Å; T369-T381 WeakPolarHBondContact O-CA 3.19Å; V370-T381 HydrophobicContact CG2-CG2 4.29Å |
| 382 | F | 92.9 | Very high | 86.2 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.8 | -178.9 | -58.1 | -104.2 | 0 | 0 | 0 | 109.5 | C343 M344 T369 R371 H380 | C343-F382 CarbonylContact O-C 3.52Å; C343-F382 WeakPolarHBondContact O-CA 3.43Å; M344-F382 HydrophobicContact CB-CD1 3.99Å; M344-F382 HydrophobicContact CB-CE1 4.09Å; M344-F382 HydrophobicContact CG-CD1 3.91Å; M344-F382 HydrophobicContact CG-CE1 3.61Å; M344-F382 HydrophobicContact CG-CE2 4.5Å; M344-F382 HydrophobicContact CG-CZ 3.91Å; M344-F382 HydrophobicContact SD-CD1 4.13Å; M344-F382 HydrophobicContact SD-CE1 3.25Å; M344-F382 WeakPolarHBondContact SD-CE1 3.16Å; M344-F382 HydrophobicContact SD-CZ 3.49Å; M344-F382 WeakPolarHBondContact SD-CZ 3.3Å; T369-F382 PolarHBondContact N-O 2.97Å; T369-F382 PolarHBondContact O-N 3.23Å; R371-F382 HydrophobicContact CB-CE2 4.05Å; R371-F382 HydrophobicContact CG-CD2 4.3Å; R371-F382 HydrophobicContact CG-CE2 3.99Å; H380-F382 HydrophobicContact CB-CE2 3.66Å; H380-F382 HydrophobicContact CB-CZ 4.1Å |
| 383 | S | 93.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 139.3 | 171.2 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | C343 W356 N366 V367 | C343-S383 PolarHBondContact N-O 3.44Å; C343-S383 PolarHBondContact O-N 3.22Å; W356-S383 WeakPolarHBondContact CZ2-O 3.3Å; W356-S383 PolarHBondContact NE1-OG 3.49Å; N366-S383 PolarHBondContact ND2-OG 3.49Å; V367-S383 WeakPolarHBondContact O-CA 3.44Å; V367-S383 VanDerWaalsContact O-CB 3.32Å; V367-S383 WeakPolarHBondContact O-CB 3.35Å; V367-S383 PolarHBondContact O-OG 3.46Å |
| 384 | N | 90.1 | Very high | 85 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.9 | 177.4 | -65.7 | -10.9 | 0 | 0 | 0 | 109.4 | L341 S342 | L341-N384 CarbonylContact O-C 3.59Å; L341-N384 VanDerWaalsContact O-CA 3.24Å; L341-N384 WeakPolarHBondContact O-CA 3.46Å; S342-N384 WeakPolarHBondContact CA-OD1 3.47Å; S342-N384 WeakPolarHBondContact CB-OD1 3.35Å; S342-N384 PolarHBondContact OG-OD1 3.06Å |
| 385 | V | 90.1 | Very high | 85.1 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.2 | -179.6 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | L341 W356 I363 N366 V387 | L341-V385 WeakPolarHBondContact CB-O 3.33Å; L341-V385 PolarHBondContact N-O 3.29Å; L341-V385 PolarHBondContact O-N 2.87Å; W356-V385 HydrophobicContact CD2-CG2 4.12Å; W356-V385 HydrophobicContact CG-CG2 3.97Å; I363-V385 HydrophobicContact CD1-CG1 3.7Å; N366-V385 HydrophobicContact CB-CG2 4.09Å; V385-V387 HydrophobicContact CG1-CG2 4.19Å |
| 386 | S | 86 | Confident | 85.4 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135 | 174.3 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | V339 | V339-S386 CarbonylContact O-C 3.48Å; V339-S386 VanDerWaalsContact O-CA 3.28Å; V339-S386 WeakPolarHBondContact O-CA 3.35Å |
| 387 | V | 85.6 | Confident | 85.7 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 139.3 | 179.7 | 176 | 0 | 0 | 0 | 0 | 111 | V339 L341 I358 I363 V385 M389 | V339-V387 PolarHBondContact N-O 3.36Å; V339-V387 PolarHBondContact O-N 3.17Å; L341-V387 HydrophobicContact CD1-CG2 4.16Å; I358-V387 HydrophobicContact CD1-CG2 3.56Å; I363-V387 HydrophobicContact CD1-CG2 4.46Å; V385-V387 HydrophobicContact CG1-CG2 4.19Å; V387-M389 HydrophobicContact CB-CE 4.34Å; V387-M389 HydrophobicContact CG1-CE 4.27Å |
| 388 | Q | 84.2 | Confident | 85.9 | Confident | 119 Ų | 119 | 56.5 Ų | 56.5 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.2 | 171.8 | -159.8 | 175.6 | 6.7 | 0 | 0 | 110.6 | G336 Q337 M338 | G336-Q388 WeakPolarHBondContact O-CG 3.44Å; G336-Q388 PolarHBondContact O-NE2 3.1Å; Q337-Q388 WeakPolarHBondContact O-CA 3.27Å; M338-Q388 HydrophobicContact SD-CB 3.55Å; M338-Q388 VanDerWaalsContact SD-CB 3.55Å; M338-Q388 HydrophobicContact SD-CG 3.87Å |
| 389 | M | 85.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | trans | -82.3 | 126.4 | -177.7 | -62.2 | -62.5 | 157.1 | 0 | 0 | 111.8 | A333 G336 Q337 V339 V387 V396 I421 | A333-M389 HydrophobicContact CB-CG 3.94Å; G336-M389 PolarHBondContact N-O 3.25Å; Q337-M389 PolarHBondContact O-N 3.01Å; V339-M389 HydrophobicContact CB-CE 3.66Å; V339-M389 HydrophobicContact CG1-CE 4.17Å; V339-M389 HydrophobicContact CG2-CE 3.75Å; V339-M389 HydrophobicContact CG2-CG 3.85Å; V387-M389 HydrophobicContact CB-CE 4.34Å; V387-M389 HydrophobicContact CG1-CE 4.27Å; M389-V396 HydrophobicContact SD-CG2 4.08Å; M389-I421 HydrophobicContact CE-CD1 3.88Å | ||
| 390 | T | 80 | Confident | 86.1 | Confident | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | trans | -112.2 | 164 | 178.4 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | E392 I423 | T390-E392 VanDerWaalsContact C-N 3.32Å; T390-E392 PolarHBondContact O-N 2.77Å; T390-I423 WeakPolarHBondContact O-CD1 3.45Å | ||
| 391 | I | 72.5 | Confident | 86.2 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 52% | 0.518 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 12.6 | -175 | -156.8 | 168.4 | 0 | 0 | 0 | 114.1 | V335 R393 Y425 | V335-I391 HydrophobicContact CG1-CB 4.35Å; V335-I391 HydrophobicContact CG2-CB 4.13Å; V335-I391 HydrophobicContact CG2-CD1 4.29Å; V335-I391 HydrophobicContact CG2-CG1 4.18Å; I391-R393 PolarHBondContact O-N 2.99Å; I391-Y425 HydrophobicContact CD1-CD1 4.32Å; I391-Y425 HydrophobicContact CD1-CD2 3.76Å; I391-Y425 HydrophobicContact CD1-CE2 3.99Å; I391-Y425 HydrophobicContact CD1-CG 3.93Å; I391-Y425 HydrophobicContact CG1-CD1 4.3Å; I391-Y425 HydrophobicContact CG1-CD2 4.48Å; I391-Y425 HydrophobicContact CG1-CE1 4.26Å; I391-Y425 HydrophobicContact CG1-CE2 4.42Å; I391-Y425 HydrophobicContact CG1-CG 4.42Å |
| 392 | E | 73.6 | Confident | 86.2 | Confident | 153 Ų | 153 | 52.8 Ų | 52.8 | 72% | 0.715 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.4 | -177.4 | -69.8 | -176.9 | -168.7 | 0 | 0 | 113.2 | T390 | T390-E392 VanDerWaalsContact C-N 3.32Å; T390-E392 PolarHBondContact O-N 2.77Å |
| 393 | R | 74.1 | Confident | 86.1 | Confident | 136 Ų | 136 | 51.3 Ų | 51.3 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | trans | -142.4 | 162.5 | 179.9 | -73.4 | 166.9 | 178.4 | 170.7 | 0.8 | 110 | D359 I391 I423 | D359-R393 PolarHBondContact O-NH1 3.31Å; D359-R393 IonicContact OD1-NH1 3.13Å; D359-R393 WeakPolarHBondContact OD2-CD 3.38Å; D359-R393 IonicContact OD2-CZ 2.73Å; D359-R393 IonicContact OD2-NE 3.98Å; D359-R393 IonicContact OD2-NH1 3.77Å; D359-R393 PolarHBondContact OD2-NH1 2.96Å; I391-R393 PolarHBondContact O-N 2.99Å; R393-I423 WeakPolarHBondContact O-CD1 3.25Å | ||
| 394 | R | 76.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -78.7 | -41.5 | 178 | -77.6 | -176.7 | 164.5 | -87.5 | -14.4 | 113.2 | I423 Y425 G455 N456 D480 N481 | R394-I423 WeakPolarHBondContact O-CB 3.48Å; R394-I423 PolarHBondContact O-N 2.87Å; R394-Y425 PolarHBondContact NH2-OH 2.93Å; R394-G455 PolarHBondContact NH1-O 2.79Å; R394-G455 PolarHBondContact NH2-O 2.92Å; R394-N456 VanDerWaalsContact NH1-CB 3.32Å; R394-N456 VanDerWaalsContact NH1-CG 3.31Å; R394-N456 PolarHBondContact NH1-OD1 2.6Å; R394-N456 PolarHBondContact O-ND2 3.5Å; R394-D480 PolarHBondContact NE-O 2.99Å; R394-D480 VanDerWaalsContact NE-O 3.09Å; R394-D480 PolarHBondContact NH2-O 2.94Å; R394-N481 VanDerWaalsContact CZ-OD1 3.24Å; R394-N481 PolarHBondContact NE-OD1 3.48Å; R394-N481 PolarHBondContact NH2-OD1 2.82Å |
| 395 | D | 84.5 | Confident | 85.7 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.7 | -177.6 | -52.5 | -59.6 | 0 | 0 | 0 | 109.2 | I421 S422 | D395-I421 CarbonylContact C-O 3.44Å; D395-I421 WeakPolarHBondContact CA-O 3.44Å; D395-S422 VanDerWaalsContact OD1-CA 3.26Å; D395-S422 WeakPolarHBondContact OD1-CA 3.29Å; D395-S422 VanDerWaalsContact OD1-CB 3.24Å; D395-S422 WeakPolarHBondContact OD1-CB 3.4Å; D395-S422 PolarHBondContact OD1-OG 2.83Å |
| 396 | V | 87.1 | Confident | 85.5 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.1 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | I358 D359 M389 V398 T420 I421 I423 | I358-V396 HydrophobicContact CG2-CG1 3.56Å; D359-V396 HydrophobicContact CB-CG1 4.38Å; D359-V396 WeakPolarHBondContact OD1-CA 3.26Å; M389-V396 HydrophobicContact SD-CG2 4.08Å; V396-V398 HydrophobicContact CG1-CG2 4.17Å; V396-V398 PolarHBondContact O-N 3.38Å; V396-T420 CarbonylContact O-C 3.57Å; V396-T420 WeakPolarHBondContact O-CA 3.42Å; V396-I421 HydrophobicContact CB-CB 4.48Å; V396-I421 PolarHBondContact N-O 2.93Å; V396-I421 PolarHBondContact O-N 3.42Å; V396-I423 HydrophobicContact CG2-CD1 3.46Å; V396-I423 VanDerWaalsContact CG2-CD1 3.46Å; V396-I423 HydrophobicContact CG2-CG1 4.04Å |
| 397 | N | 89.1 | Confident | 85.4 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 109.3 | 175.7 | -75 | -40.4 | 0 | 0 | 0 | 110.3 | D359 T420 | D359-N397 PolarHBondContact N-O 2.89Å; D359-N397 PolarHBondContact OD1-N 3.26Å; N397-T420 WeakPolarHBondContact OD1-CG2 3.44Å |
| 398 | V | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 109 | L327 V329 L341 W356 I358 V396 T418 K419 I421 | L327-V398 HydrophobicContact CD1-CG1 4.32Å; L327-V398 HydrophobicContact CD2-CG1 4.26Å; L327-V398 WeakPolarHBondContact CD2-O 3.39Å; V329-V398 HydrophobicContact CG1-CB 4.46Å; V329-V398 HydrophobicContact CG1-CG1 4.14Å; L341-V398 HydrophobicContact CD1-CG1 4.06Å; L341-V398 HydrophobicContact CD1-CG2 4.15Å; L341-V398 HydrophobicContact CD2-CG2 4.33Å; W356-V398 HydrophobicContact CE3-CG1 3.84Å; W356-V398 HydrophobicContact CZ3-CG1 3.57Å; I358-V398 HydrophobicContact CG1-CG1 4.38Å; I358-V398 HydrophobicContact CG1-CG2 4.44Å; V396-V398 HydrophobicContact CG1-CG2 4.17Å; V396-V398 PolarHBondContact O-N 3.38Å; V398-T418 CarbonylContact O-C 3.58Å; V398-T418 WeakPolarHBondContact O-CA 3.25Å; V398-K419 PolarHBondContact N-O 2.92Å; V398-K419 PolarHBondContact O-N 3.22Å; V398-I421 HydrophobicContact CG2-CD1 3.77Å; V398-I421 HydrophobicContact CG2-CG1 4.18Å |
| 399 | V | 93.2 | Very high | 84.4 | Confident | 34 Ų | 34 | 53 Ų | 53 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.3 | 174.3 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | V357 V417 T418 | V357-V399 HydrophobicContact CB-CB 4.23Å; V357-V399 PolarHBondContact N-O 2.96Å; V357-V399 PolarHBondContact O-N 3.5Å; V399-V417 WeakPolarHBondContact CA-O 3.36Å; V399-T418 HydrophobicContact CG2-CG2 4.03Å |
| 400 | C | 94.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.8 | 164.2 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | V325 L327 C343 I354 W356 S416 V417 | V325-C400 HydrophobicContact CG1-CB 4.41Å; L327-C400 HydrophobicContact CD1-CB 3.99Å; L327-C400 HydrophobicContact CD2-CB 4.3Å; C343-C400 HydrophobicContact CB-CB 3.78Å; C343-C400 WeakPolarHBondContact CB-SG 3.4Å; C343-C400 WeakPolarHBondContact SG-CB 3.43Å; C343-C400 CovalentContact SG-SG 2.02Å; C343-C400 PolarHBondContact SG-SG 2.83Å; I354-C400 WeakPolarHBondContact CG2-SG 3.18Å; W356-C400 HydrophobicContact CE3-CB 4.38Å; W356-C400 HydrophobicContact CZ3-CB 4.3Å; C400-S416 CarbonylContact O-C 3.51Å; C400-S416 WeakPolarHBondContact O-CA 3.48Å; C400-S416 WeakPolarHBondContact O-CB 3.42Å; C400-V417 PolarHBondContact N-O 3.14Å; C400-V417 PolarHBondContact O-N 3.16Å |
| 401 | S | 93.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.2 | 170.5 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | I354 L355 R414 K415 S416 | I354-S401 CarbonylContact C-O 3.55Å; I354-S401 WeakPolarHBondContact CA-O 3.48Å; L355-S401 PolarHBondContact N-O 3.33Å; L355-S401 PolarHBondContact O-N 3.46Å; S401-R414 PolarHBondContact OG-NE 2.66Å; S401-R414 PolarHBondContact OG-NH2 2.83Å; S401-K415 CarbonylContact C-O 3.58Å; S401-K415 VanDerWaalsContact CA-O 3.26Å; S401-K415 WeakPolarHBondContact CA-O 3.26Å; S401-S416 WeakPolarHBondContact OG-CB 3.36Å |
| 402 | A | 93.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P322 V325 A352 K353 I354 R414 K415 | P322-A402 HydrophobicContact CB-CB 4.46Å; P322-A402 HydrophobicContact CG-CB 3.94Å; V325-A402 HydrophobicContact CG2-CB 3.54Å; A352-A402 HydrophobicContact CB-CB 4.06Å; K353-A402 WeakPolarHBondContact O-CA 3.35Å; I354-A402 HydrophobicContact CD1-CB 3.84Å; A402-R414 WeakPolarHBondContact O-CA 3.48Å; A402-K415 PolarHBondContact N-O 3.5Å; A402-K415 PolarHBondContact O-N 3.39Å |
| 403 | V | 90.7 | Very high | 83.7 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.2 | -175.9 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | A352 K353 L355 E405 G413 R414 | A352-V403 CarbonylContact C-O 3.56Å; A352-V403 WeakPolarHBondContact CA-O 3.39Å; K353-V403 PolarHBondContact N-O 3.28Å; K353-V403 PolarHBondContact O-N 3.35Å; L355-V403 HydrophobicContact CD1-CG2 3.81Å; L355-V403 HydrophobicContact CG-CG2 4.38Å; V403-E405 HydrophobicContact CG1-CG 4.34Å; V403-G413 CarbonylContact C-O 3.6Å; V403-G413 WeakPolarHBondContact CA-O 3.19Å; V403-R414 HydrophobicContact CG2-CB 4.23Å; V403-R414 HydrophobicContact CG2-CG 3.9Å |
| 404 | N | 90 | Very high | 84.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -83.4 | 108.9 | 164.5 | -177.1 | -30.3 | 0 | 0 | 0 | 107.6 | Y320 S348 N349 P350 E406 L407 G413 | Y320-N404 PolarHBondContact O-ND2 2.78Å; S348-N404 PolarHBondContact OG-ND2 3.48Å; S348-N404 VanDerWaalsContact OG-ND2 3.13Å; N349-N404 PolarHBondContact O-ND2 3.33Å; P350-N404 WeakPolarHBondContact CD-OD1 3.33Å; N404-E406 PolarHBondContact O-N 2.78Å; N404-E406 PolarHBondContact OD1-N 3.35Å; N404-L407 HydrophobicContact CB-CB 4.5Å; N404-L407 HydrophobicContact CB-CD1 4.44Å; N404-L407 PolarHBondContact O-N 3.47Å; N404-G413 PolarHBondContact N-O 2.65Å | ||
| 405 | E | 85.2 | Confident | 85.1 | Confident | 130 Ų | 130 | 49.3 Ų | 49.3 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.8 | -171.2 | -63.2 | -172 | 126.9 | 0 | 0 | 113.4 | K353 V403 | K353-E405 VanDerWaalsContact CD-CD 3.46Å; K353-E405 HydrophobicContact CD-CG 4.33Å; K353-E405 VanDerWaalsContact CD-OE1 3.3Å; K353-E405 WeakPolarHBondContact CD-OE1 3.22Å; K353-E405 WeakPolarHBondContact CD-OE2 3.39Å; K353-E405 IonicContact NZ-OE1 3.59Å; K353-E405 PolarHBondContact NZ-OE1 3.46Å; K353-E405 IonicContact NZ-OE2 2.64Å; K353-E405 PolarHBondContact NZ-OE2 2.9Å; V403-E405 HydrophobicContact CG1-CG 4.34Å |
| 406 | E | 85.3 | Confident | 85.4 | Confident | 103 Ų | 103 | 49 Ų | 49 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -12.9 | 177.1 | -62.3 | -60.1 | 147.7 | 0 | 0 | 113.6 | K240 F319 P350 N404 | K240-E406 PolarHBondContact NZ-O 2.91Å; F319-E406 HydrophobicContact CD2-CB 3.74Å; F319-E406 HydrophobicContact CD2-CG 4.11Å; F319-E406 HydrophobicContact CE2-CB 3.94Å; F319-E406 HydrophobicContact CE2-CG 3.79Å; P350-E406 HydrophobicContact CG-CB 4.17Å; P350-E406 HydrophobicContact CG-CG 3.6Å; N404-E406 PolarHBondContact O-N 2.78Å; N404-E406 PolarHBondContact OD1-N 3.35Å |
| 407 | L | 84 | Confident | 85.7 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -111 | 130.3 | -179.1 | -66.6 | 177.9 | 0 | 0 | 0 | 110.7 | K240 F319 Y320 P321 N404 S409 | K240-L407 HydrophobicContact CB-CD2 4.16Å; K240-L407 HydrophobicContact CD-CD2 3.89Å; K240-L407 HydrophobicContact CG-CD2 3.98Å; F319-L407 HydrophobicContact CB-CD2 4.41Å; Y320-L407 VanDerWaalsContact C-CD1 3.48Å; P321-L407 HydrophobicContact CB-CD1 3.96Å; P321-L407 HydrophobicContact CG-CD1 4.25Å; P321-L407 VanDerWaalsContact N-CD1 3.33Å; N404-L407 HydrophobicContact CB-CB 4.5Å; N404-L407 HydrophobicContact CB-CD1 4.44Å; N404-L407 PolarHBondContact O-N 3.47Å; L407-S409 PolarHBondContact O-N 2.78Å |
| 408 | P | 78.2 | Confident | 85.8 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 41% | 0.409 | 29% | 0.292 | S | S | . | . | trans | -52.6 | 141.5 | 171.7 | -26.5 | 35.7 | 0 | 0 | 0 | 111.4 | A410 D411 G413 | P408-A410 PolarHBondContact O-N 2.85Å; P408-A410 VanDerWaalsContact O-N 3.14Å; P408-D411 HydrophobicContact CB-CB 4.48Å; P408-D411 VanDerWaalsContact CD-OD2 3.29Å; P408-D411 WeakPolarHBondContact CD-OD2 3.36Å; P408-D411 VanDerWaalsContact CG-OD2 3.24Å; P408-D411 WeakPolarHBondContact CG-OD2 3.31Å; P408-D411 PolarHBondContact O-N 3.37Å; P408-G413 PolarHBondContact O-N 2.78Å; P408-G413 VanDerWaalsContact O-N 3.14Å | ||
| 409 | S | 72.1 | Confident | 85.7 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -61.2 | -23.9 | 175.3 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | L407 D411 G412 | L407-S409 PolarHBondContact O-N 2.78Å; S409-D411 VanDerWaalsContact C-N 3.34Å; S409-G412 PolarHBondContact O-N 3.27Å |
| 410 | A | 72.2 | Confident | 85.4 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 79% | 0.793 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -65.7 | -34 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P408 G412 | P408-A410 PolarHBondContact O-N 2.85Å; P408-A410 VanDerWaalsContact O-N 3.14Å; A410-G412 PolarHBondContact O-N 3.5Å |
| 411 | D | 69.3 | Low | 85.1 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -86.4 | 23.3 | -179.7 | -55.3 | -23.2 | 0 | 0 | 0 | 111.5 | P408 S409 G413 | P408-D411 HydrophobicContact CB-CB 4.48Å; P408-D411 VanDerWaalsContact CD-OD2 3.29Å; P408-D411 WeakPolarHBondContact CD-OD2 3.36Å; P408-D411 VanDerWaalsContact CG-OD2 3.24Å; P408-D411 WeakPolarHBondContact CG-OD2 3.31Å; P408-D411 PolarHBondContact O-N 3.37Å; S409-D411 VanDerWaalsContact C-N 3.34Å; D411-G413 VanDerWaalsContact C-N 3.27Å; D411-G413 PolarHBondContact O-N 2.98Å |
| 412 | G | 71.9 | Confident | 84.6 | Confident | 27 Ų | 27 | 59 Ų | 59 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 7.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P321 S409 A410 R414 | P321-G412 VanDerWaalsContact CB-O 3.27Å; P321-G412 WeakPolarHBondContact CB-O 3.39Å; S409-G412 PolarHBondContact O-N 3.27Å; A410-G412 PolarHBondContact O-N 3.5Å; G412-R414 PolarHBondContact O-N 3.24Å |
| 413 | G | 82 | Confident | 84.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -18.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V403 N404 P408 D411 | V403-G413 CarbonylContact C-O 3.6Å; V403-G413 WeakPolarHBondContact CA-O 3.19Å; N404-G413 PolarHBondContact N-O 2.65Å; P408-G413 PolarHBondContact O-N 2.78Å; P408-G413 VanDerWaalsContact O-N 3.14Å; D411-G413 VanDerWaalsContact C-N 3.27Å; D411-G413 PolarHBondContact O-N 2.98Å |
| 414 | R | 89.7 | Confident | 83.8 | Confident | 113 Ų | 113 | 60 Ų | 60 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.5 | 173.2 | 174.8 | 168.5 | -173.9 | 179.6 | 3.8 | 111 | S401 A402 V403 G412 | S401-R414 PolarHBondContact OG-NE 2.66Å; S401-R414 PolarHBondContact OG-NH2 2.83Å; A402-R414 WeakPolarHBondContact O-CA 3.48Å; V403-R414 HydrophobicContact CG2-CB 4.23Å; V403-R414 HydrophobicContact CG2-CG 3.9Å; G412-R414 PolarHBondContact O-N 3.24Å |
| 415 | K | 90.3 | Very high | 83.5 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 39% | 0.391 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 148.8 | 163.5 | -71 | -152.1 | -178.5 | -169 | 0 | 110.8 | P322 D323 V325 S401 A402 | P322-K415 WeakPolarHBondContact O-CD 3.19Å; P322-K415 WeakPolarHBondContact O-CE 3.26Å; D323-K415 WeakPolarHBondContact O-CD 3.1Å; D323-K415 WeakPolarHBondContact O-CE 3.32Å; D323-K415 PolarHBondContact O-NZ 2.91Å; V325-K415 HydrophobicContact CG2-CB 3.78Å; S401-K415 CarbonylContact C-O 3.58Å; S401-K415 VanDerWaalsContact CA-O 3.26Å; S401-K415 WeakPolarHBondContact CA-O 3.26Å; A402-K415 PolarHBondContact N-O 3.5Å; A402-K415 PolarHBondContact O-N 3.39Å |
| 416 | S | 91.4 | Very high | 83.5 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 142.2 | -179.2 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | C400 S401 | C400-S416 CarbonylContact O-C 3.51Å; C400-S416 WeakPolarHBondContact O-CA 3.48Å; C400-S416 WeakPolarHBondContact O-CB 3.42Å; S401-S416 WeakPolarHBondContact OG-CB 3.36Å |
| 417 | V | 92.3 | Very high | 83.5 | Confident | 46 Ų | 46 | 53 Ų | 53 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.8 | 171.5 | 168.5 | 0 | 0 | 0 | 0 | 109.1 | V325 L327 V399 C400 K419 | V325-V417 HydrophobicContact CB-CG2 4.16Å; V325-V417 VanDerWaalsContact O-CG2 3.29Å; V325-V417 WeakPolarHBondContact O-CG2 3.43Å; L327-V417 HydrophobicContact CB-CB 4.29Å; L327-V417 HydrophobicContact CB-CG1 3.83Å; L327-V417 HydrophobicContact CD2-CG1 4.21Å; L327-V417 WeakPolarHBondContact CD2-O 3.31Å; V399-V417 WeakPolarHBondContact CA-O 3.36Å; C400-V417 PolarHBondContact N-O 3.14Å; C400-V417 PolarHBondContact O-N 3.16Å; V417-K419 HydrophobicContact CG1-CG 4.43Å |
| 418 | T | 91.2 | Very high | 83.4 | Confident | 81 Ų | 81 | 60.4 Ų | 60.4 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.9 | 173.9 | -55.4 | 0 | 0 | 0 | 0 | 109 | V398 V399 | V398-T418 CarbonylContact O-C 3.58Å; V398-T418 WeakPolarHBondContact O-CA 3.25Å; V399-T418 HydrophobicContact CG2-CG2 4.03Å |
| 419 | K | 90.5 | Very high | 83.7 | Confident | 92 Ų | 92 | 60.6 Ų | 60.6 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.3 | 167.5 | -75.8 | -173.3 | 172.9 | 179.9 | 0 | 110.1 | L327 V329 V398 V417 | L327-K419 HydrophobicContact CB-CD 4.43Å; L327-K419 HydrophobicContact CD2-CB 3.93Å; L327-K419 HydrophobicContact CD2-CD 4.47Å; L327-K419 HydrophobicContact CD2-CG 4.1Å; L327-K419 HydrophobicContact CG-CB 4.48Å; L327-K419 HydrophobicContact CG-CD 4.23Å; L327-K419 HydrophobicContact CG-CG 4.41Å; L327-K419 WeakPolarHBondContact O-CD 3.22Å; L327-K419 VanDerWaalsContact O-CE 3.3Å; L327-K419 WeakPolarHBondContact O-CE 3.35Å; L327-K419 PolarHBondContact O-NZ 2.81Å; V329-K419 HydrophobicContact CG2-CB 3.56Å; V329-K419 HydrophobicContact CG2-CD 3.81Å; V329-K419 HydrophobicContact CG2-CG 4.33Å; V398-K419 PolarHBondContact N-O 2.92Å; V398-K419 PolarHBondContact O-N 3.22Å; V417-K419 HydrophobicContact CG1-CG 4.43Å |
| 420 | T | 87.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 52% | 0.515 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.3 | -179.8 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | V396 N397 | V396-T420 CarbonylContact O-C 3.57Å; V396-T420 WeakPolarHBondContact O-CA 3.42Å; N397-T420 WeakPolarHBondContact OD1-CG2 3.44Å |
| 421 | I | 86.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.4 | 172.1 | -51.6 | -180 | 0 | 0 | 0 | 108 | V329 A333 V339 L341 M389 D395 V396 V398 I423 | V329-I421 HydrophobicContact CB-CD1 4.05Å; V329-I421 HydrophobicContact CB-CG1 4.25Å; V329-I421 HydrophobicContact CG2-CD1 4.45Å; V329-I421 HydrophobicContact CG2-CG1 4.11Å; A333-I421 HydrophobicContact CB-CG2 3.98Å; V339-I421 HydrophobicContact CG1-CD1 4.33Å; L341-I421 HydrophobicContact CD2-CD1 3.55Å; M389-I421 HydrophobicContact CE-CD1 3.88Å; D395-I421 CarbonylContact C-O 3.44Å; D395-I421 WeakPolarHBondContact CA-O 3.44Å; V396-I421 HydrophobicContact CB-CB 4.48Å; V396-I421 PolarHBondContact N-O 2.93Å; V396-I421 PolarHBondContact O-N 3.42Å; V398-I421 HydrophobicContact CG2-CD1 3.77Å; V398-I421 HydrophobicContact CG2-CG1 4.18Å; I421-I423 PolarHBondContact O-N 2.85Å |
| 422 | S | 84 | Confident | 86.1 | Confident | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 120.9 | 177.3 | -157.3 | 0 | 0 | 0 | 0 | 111.2 | E331 S332 A333 D395 L424 N456 | E331-S422 PolarHBondContact O-N 3Å; S332-S422 CarbonylContact C-O 3.59Å; S332-S422 WeakPolarHBondContact CA-O 3.28Å; S332-S422 VanDerWaalsContact CB-O 3.25Å; S332-S422 WeakPolarHBondContact CB-O 3.42Å; A333-S422 PolarHBondContact N-O 2.99Å; D395-S422 VanDerWaalsContact OD1-CA 3.26Å; D395-S422 WeakPolarHBondContact OD1-CA 3.29Å; D395-S422 VanDerWaalsContact OD1-CB 3.24Å; D395-S422 WeakPolarHBondContact OD1-CB 3.4Å; D395-S422 PolarHBondContact OD1-OG 2.83Å; S422-L424 PolarHBondContact O-N 2.63Å; S422-N456 PolarHBondContact OG-ND2 2.93Å |
| 423 | I | 84 | Confident | 86.6 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.5 | -178.2 | -61 | 161.3 | 0 | 0 | 0 | 108.9 | A333 V335 T390 R393 R394 V396 I421 Y425 N456 | A333-I423 CarbonylContact O-C 3.59Å; A333-I423 WeakPolarHBondContact O-CA 3.48Å; V335-I423 HydrophobicContact CG2-CG2 3.44Å; V335-I423 VanDerWaalsContact CG2-CG2 3.44Å; T390-I423 WeakPolarHBondContact O-CD1 3.45Å; R393-I423 WeakPolarHBondContact O-CD1 3.25Å; R394-I423 WeakPolarHBondContact O-CB 3.48Å; R394-I423 PolarHBondContact O-N 2.87Å; V396-I423 HydrophobicContact CG2-CD1 3.46Å; V396-I423 VanDerWaalsContact CG2-CD1 3.46Å; V396-I423 HydrophobicContact CG2-CG1 4.04Å; I421-I423 PolarHBondContact O-N 2.85Å; I423-Y425 HydrophobicContact CG2-CD1 4.43Å; I423-Y425 WeakPolarHBondContact O-CD1 3.23Å; I423-N456 VanDerWaalsContact O-CB 3.24Å; I423-N456 WeakPolarHBondContact O-CB 3.19Å; I423-N456 PolarHBondContact O-ND2 2.99Å |
| 424 | L | 83.4 | Confident | 86.3 | Confident | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.199 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.3 | -175.6 | -54.2 | -177.6 | 0 | 0 | 0 | 111.5 | A333 R334 V335 S422 N456 V508 | A333-L424 PolarHBondContact O-N 2.85Å; R334-L424 WeakPolarHBondContact CA-O 3.3Å; V335-L424 PolarHBondContact N-O 2.85Å; S422-L424 PolarHBondContact O-N 2.63Å; L424-N456 WeakPolarHBondContact CA-O 3.43Å; L424-V508 HydrophobicContact CB-CG2 3.63Å |
| 425 | Y | 83.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 156.5 | 176.1 | 56.2 | -80.6 | 0 | 0 | 0 | 111.4 | V335 I391 R394 I423 G455 N456 N506 | V335-Y425 HydrophobicContact CG2-CD1 4.25Å; V335-Y425 HydrophobicContact CG2-CG 4.37Å; I391-Y425 HydrophobicContact CD1-CD1 4.32Å; I391-Y425 HydrophobicContact CD1-CD2 3.76Å; I391-Y425 HydrophobicContact CD1-CE2 3.99Å; I391-Y425 HydrophobicContact CD1-CG 3.93Å; I391-Y425 HydrophobicContact CG1-CD1 4.3Å; I391-Y425 HydrophobicContact CG1-CD2 4.48Å; I391-Y425 HydrophobicContact CG1-CE1 4.26Å; I391-Y425 HydrophobicContact CG1-CE2 4.42Å; I391-Y425 HydrophobicContact CG1-CG 4.42Å; R394-Y425 PolarHBondContact NH2-OH 2.93Å; I423-Y425 HydrophobicContact CG2-CD1 4.43Å; I423-Y425 WeakPolarHBondContact O-CD1 3.23Å; Y425-G455 VanDerWaalsContact CE2-N 3.26Å; Y425-G455 CarbonylContact O-C 3.54Å; Y425-G455 VanDerWaalsContact O-CA 3.29Å; Y425-G455 WeakPolarHBondContact O-CA 3.36Å; Y425-N456 HydrophobicContact CD1-CB 3.72Å; Y425-N456 HydrophobicContact CE1-CB 3.41Å; Y425-N456 VanDerWaalsContact CE1-CB 3.41Å; Y425-N456 PolarHBondContact N-O 3.14Å; Y425-N456 PolarHBondContact O-N 3.46Å; Y425-N506 PolarHBondContact O-ND2 2.84Å |
| 426 | A | 84.2 | Confident | 84.5 | Confident | 42 Ų | 42 | 58 Ų | 58 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 158.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G455 | A426-G455 WeakPolarHBondContact O-CA 3.36Å; A426-G455 PolarHBondContact O-N 2.9Å |
| 427 | P | 84.6 | Confident | 83.3 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 150 | 168.3 | 32.8 | -38.4 | 0 | 0 | 0 | 111.5 | P459 S509 L513 | P427-P459 HydrophobicContact CB-CB 4.06Å; P427-P459 HydrophobicContact CB-CG 3.85Å; P427-P459 HydrophobicContact CG-CB 3.82Å; P427-P459 HydrophobicContact CG-CG 4.17Å; P427-S509 WeakPolarHBondContact CD-OG 3.46Å; P427-L513 HydrophobicContact CB-CD1 4.23Å; P427-L513 HydrophobicContact CG-CD1 4Å |
| 428 | E | 83.6 | Confident | 82.6 | Confident | 166 Ų | 166 | 60.9 Ų | 60.9 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -41.4 | -175.4 | -172.3 | -179.9 | -174.7 | 0 | 0 | 112.1 | A453 | E428-A453 PolarHBondContact N-O 2.83Å |
| 429 | T | 84.5 | Confident | 82.1 | Confident | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.2 | -175.6 | 62.4 | 0 | 0 | 0 | 0 | 112.4 | A452 A453 | T429-A452 WeakPolarHBondContact O-CA 3.33Å; T429-A453 PolarHBondContact N-O 2.63Å; T429-A453 PolarHBondContact O-N 3.16Å; T429-A453 VanDerWaalsContact O-N 3.1Å |
| 430 | L | 90.3 | Very high | 81.7 | Confident | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123 | 172.4 | -174.3 | 65.1 | 0 | 0 | 0 | 108.9 | C450 A452 A504 L513 A515 | L430-C450 WeakPolarHBondContact CD1-SG 3.31Å; L430-A452 HydrophobicContact CD1-CB 3.73Å; L430-A504 HydrophobicContact CD1-CB 3.52Å; L430-A504 HydrophobicContact CD2-CB 3.95Å; L430-A504 HydrophobicContact CG-CB 4.27Å; L430-L513 HydrophobicContact CB-CB 3.71Å; L430-L513 HydrophobicContact CB-CD1 4.02Å; L430-L513 VanDerWaalsContact CD2-C 3.49Å; L430-L513 HydrophobicContact CD2-CB 3.84Å; L430-L513 WeakPolarHBondContact CD2-O 3.34Å; L430-L513 HydrophobicContact CG-CB 4.4Å; L430-A515 HydrophobicContact CD2-CB 4.25Å; L430-A515 HydrophobicContact CG-CB 4.22Å |
| 431 | T | 85.9 | Confident | 81.6 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.9 | 179.7 | 50.8 | 0 | 0 | 0 | 0 | 110.5 | F433 C450 V451 | T431-F433 HydrophobicContact CG2-CZ 4.46Å; T431-F433 VanDerWaalsContact OG1-CE2 3.23Å; T431-F433 WeakPolarHBondContact OG1-CE2 3.4Å; T431-F433 WeakPolarHBondContact OG1-CZ 3.3Å; T431-C450 WeakPolarHBondContact O-CA 3.44Å; T431-V451 PolarHBondContact N-O 2.99Å; T431-V451 PolarHBondContact O-N 3.06Å; T431-V451 PolarHBondContact OG1-O 2.88Å |
| 432 | M | 87.3 | Confident | 81.4 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 134.3 | -179.1 | -180 | 166.9 | 49.3 | 0 | 0 | 110.6 | L448 T449 W463 A515 A517 | M432-L448 HydrophobicContact SD-CB 4.47Å; M432-T449 CarbonylContact C-O 3.58Å; M432-T449 WeakPolarHBondContact CA-O 3.42Å; M432-W463 HydrophobicContact CG-CH2 4.22Å; M432-W463 HydrophobicContact SD-CH2 3.56Å; M432-W463 VanDerWaalsContact SD-CH2 3.56Å; M432-W463 HydrophobicContact SD-CZ3 3.4Å; M432-W463 WeakPolarHBondContact SD-CZ3 3.3Å; M432-A515 HydrophobicContact CB-CB 4.12Å; M432-A515 HydrophobicContact CE-CB 4.4Å; M432-A517 HydrophobicContact CE-CB 3.64Å; M432-A517 VanDerWaalsContact CE-N 3.31Å |
| 433 | F | 82.1 | Confident | 81.2 | Confident | 116 Ų | 116 | 58 Ų | 58 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 175.2 | -173.9 | -52.7 | -76.5 | 0 | 0 | 0 | 110.7 | T431 T449 V451 | T431-F433 HydrophobicContact CG2-CZ 4.46Å; T431-F433 VanDerWaalsContact OG1-CE2 3.23Å; T431-F433 WeakPolarHBondContact OG1-CE2 3.4Å; T431-F433 WeakPolarHBondContact OG1-CZ 3.3Å; F433-T449 PolarHBondContact N-O 3.45Å; F433-T449 PolarHBondContact O-N 3.29Å; F433-V451 HydrophobicContact CD2-CG2 4.2Å; F433-V451 HydrophobicContact CE2-CB 4.42Å; F433-V451 HydrophobicContact CE2-CG2 4.26Å |
| 434 | G | 74.6 | Confident | 81.1 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 96.7 | -1 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | R447 | G434-R447 CarbonylContact C-O 3.52Å; G434-R447 WeakPolarHBondContact CA-O 3.49Å |
| 435 | H | 72.9 | Confident | 81.1 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | trans | -139.7 | 129.2 | 173.1 | -177.7 | 61.6 | 0 | 0 | 0 | 110.2 | S438 L448 L519 | H435-S438 PolarHBondContact CE1-O 2.77Å; H435-L448 HydrophobicContact CB-CD2 3.62Å; H435-L519 WeakPolarHBondContact NE2-CD2 3.47Å | ||
| 436 | D | 70.8 | Confident | 81 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | trans | -101.9 | 12.3 | -176.6 | 63.2 | -18.2 | 0 | 0 | 0 | 112.8 | S438 | D436-S438 PolarHBondContact O-N 3.38Å; D436-S438 WeakPolarHBondContact OD1-CB 3.17Å; D436-S438 PolarHBondContact OD1-N 2.84Å; D436-S438 PolarHBondContact OD1-OG 2.75Å | ||
| 437 | N | 66.5 | Low | 81.1 | Confident | 126 Ų | 126 | 67.4 Ų | 67.4 | 67% | 0.674 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 67.6 | 9.8 | -168 | -47.2 | -65.5 | 0 | 0 | 0 | 115.2 | ||
| 438 | S | 76.1 | Confident | 81.2 | Confident | 50 Ų | 50 | 67 Ų | 67 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 142.3 | 170.1 | 66 | 0 | 0 | 0 | 0 | 111.3 | H435 D436 L440 | H435-S438 PolarHBondContact CE1-O 2.77Å; D436-S438 PolarHBondContact O-N 3.38Å; D436-S438 WeakPolarHBondContact OD1-CB 3.17Å; D436-S438 PolarHBondContact OD1-N 2.84Å; D436-S438 PolarHBondContact OD1-OG 2.75Å; S438-L440 PolarHBondContact O-N 2.89Å |
| 439 | P | 80.4 | Confident | 81.4 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 125.6 | 179.9 | 27.4 | -33.5 | 0 | 0 | 0 | 111.1 | T520 H522 | P439-T520 WeakPolarHBondContact CA-O 3.45Å; P439-T520 HydrophobicContact CB-CG2 4.01Å; P439-H522 VanDerWaalsContact CB-CE1 3.48Å; P439-H522 WeakPolarHBondContact CB-CE1 3.16Å; P439-H522 VanDerWaalsContact CG-CE1 3.45Å; P439-H522 WeakPolarHBondContact CG-CE1 3.4Å |
| 440 | L | 83.7 | Confident | 81.6 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 154.6 | 175.8 | -63.6 | 166.6 | 0 | 0 | 0 | 110.2 | S438 A446 A491 L519 T520 V521 H522 | S438-L440 PolarHBondContact O-N 2.89Å; L440-A446 HydrophobicContact CD1-CB 3.85Å; L440-A446 HydrophobicContact CD2-CB 4.26Å; L440-A491 HydrophobicContact CB-CB 4.31Å; L440-A491 HydrophobicContact CD1-CB 4.48Å; L440-L519 HydrophobicContact CD1-CD1 4.28Å; L440-L519 HydrophobicContact CD1-CD2 4.29Å; L440-T520 PolarHBondContact N-O 2.02Å; L440-V521 HydrophobicContact CB-CG2 4.34Å; L440-V521 CarbonylContact O-C 3.3Å; L440-V521 VanDerWaalsContact O-CA 3.29Å; L440-V521 WeakPolarHBondContact O-CA 3.4Å; L440-H522 PolarHBondContact O-N 2.86Å |
| 441 | T | 84.5 | Confident | 81.5 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.6 | 171.6 | -60.7 | 0 | 0 | 0 | 0 | 109.7 | G443 T444 I610 | T441-G443 PolarHBondContact O-N 3.1Å; T441-T444 WeakPolarHBondContact O-CG2 3.25Å; T441-T444 PolarHBondContact O-N 3.47Å; T441-T444 PolarHBondContact O-OG1 2.89Å; T441-I610 HydrophobicContact CG2-CD1 3.78Å; T441-I610 HydrophobicContact CG2-CG1 3.9Å |
| 442 | A | 81.9 | Confident | 81.7 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 26% | 0.256 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A491 P493 V521 H522 F523 | A442-A491 CarbonylContact C-O 3.5Å; A442-A491 VanDerWaalsContact CA-O 3.3Å; A442-A491 WeakPolarHBondContact CA-O 3.45Å; A442-P493 HydrophobicContact CB-CG 4.23Å; A442-V521 HydrophobicContact CB-CG1 4.15Å; A442-H522 WeakPolarHBondContact CB-O 3.5Å; A442-H522 PolarHBondContact N-O 3.05Å; A442-F523 HydrophobicContact CB-CB 3.88Å |
| 443 | G | 79.3 | Confident | 81.6 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -12.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T441 T490 A491 | T441-G443 PolarHBondContact O-N 3.1Å; G443-T490 WeakPolarHBondContact O-CG2 3.42Å; G443-A491 PolarHBondContact N-O 3.39Å |
| 444 | T | 83.3 | Confident | 81.6 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -80.3 | 152 | 174.4 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | T441 T490 A491 | T441-T444 WeakPolarHBondContact O-CG2 3.25Å; T441-T444 PolarHBondContact O-N 3.47Å; T441-T444 PolarHBondContact O-OG1 2.89Å; T444-T490 CarbonylContact O-C 3.47Å; T444-T490 WeakPolarHBondContact O-CA 3.3Å; T444-A491 PolarHBondContact O-N 2.88Å |
| 445 | V | 83 | Confident | 81.9 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.7 | 175.6 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | F489 | V445-F489 CarbonylContact C-O 3.54Å; V445-F489 WeakPolarHBondContact CA-O 3.42Å |
| 446 | A | 82 | Confident | 82.4 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 147.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L440 T488 F489 | L440-A446 HydrophobicContact CD1-CB 3.85Å; L440-A446 HydrophobicContact CD2-CB 4.26Å; A446-T488 WeakPolarHBondContact O-CA 3.3Å; A446-F489 HydrophobicContact CB-CD1 4.35Å; A446-F489 HydrophobicContact CB-CE1 3.75Å; A446-F489 HydrophobicContact CB-CE2 4.1Å; A446-F489 HydrophobicContact CB-CZ 3.59Å; A446-F489 PolarHBondContact N-O 3.44Å; A446-F489 PolarHBondContact O-N 2.63Å; A446-F489 VanDerWaalsContact O-N 3.11Å |
| 447 | R | 85.7 | Confident | 82.9 | Confident | 144 Ų | 144 | 43 Ų | 43 | 54% | 0.543 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 116.8 | 178.5 | -58.2 | -175.7 | 170.4 | -120.6 | 8.6 | 108.9 | G434 E486 T488 | G434-R447 CarbonylContact C-O 3.52Å; G434-R447 WeakPolarHBondContact CA-O 3.49Å; R447-E486 WeakPolarHBondContact CD-OE1 3.33Å; R447-E486 IonicContact CZ-OE1 2.69Å; R447-E486 IonicContact NE-OE1 3.82Å; R447-E486 IonicContact NH1-OE1 2.68Å; R447-E486 PolarHBondContact NH1-OE1 3.16Å; R447-T488 HydrophobicContact CG-CG2 3.99Å |
| 448 | L | 86.4 | Confident | 83.7 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.7 | 173.1 | -64.9 | 175.6 | 0 | 0 | 0 | 108.8 | M432 H435 W463 L487 F489 Y500 | M432-L448 HydrophobicContact SD-CB 4.47Å; H435-L448 HydrophobicContact CB-CD2 3.62Å; L448-W463 HydrophobicContact CB-CH2 3.55Å; L448-W463 HydrophobicContact CB-CZ2 4.38Å; L448-W463 HydrophobicContact CB-CZ3 3.93Å; L448-W463 HydrophobicContact CD1-CZ3 4.27Å; L448-W463 VanDerWaalsContact O-CZ2 3.31Å; L448-W463 WeakPolarHBondContact O-CZ2 3.48Å; L448-L487 PolarHBondContact N-O 2.82Å; L448-L487 PolarHBondContact O-N 2.89Å; L448-F489 HydrophobicContact CD1-CE1 3.97Å; L448-F489 HydrophobicContact CD1-CZ 4.43Å; L448-F489 HydrophobicContact CG-CE1 4.15Å; L448-Y500 HydrophobicContact CD1-CD1 3.9Å; L448-Y500 HydrophobicContact CD1-CG 4.01Å |
| 449 | T | 87.3 | Confident | 84.2 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.9 | -179.1 | -53.5 | 0 | 0 | 0 | 0 | 108.6 | M432 F433 V451 Q484 | M432-T449 CarbonylContact C-O 3.58Å; M432-T449 WeakPolarHBondContact CA-O 3.42Å; F433-T449 PolarHBondContact N-O 3.45Å; F433-T449 PolarHBondContact O-N 3.29Å; T449-V451 HydrophobicContact CG2-CG2 4.1Å; T449-Q484 HydrophobicContact CG2-CG 3.71Å |
| 450 | C | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | L430 T431 I461 W463 Q484 S485 C502 | L430-C450 WeakPolarHBondContact CD1-SG 3.31Å; T431-C450 WeakPolarHBondContact O-CA 3.44Å; C450-I461 HydrophobicContact CB-CG2 4.15Å; C450-I461 WeakPolarHBondContact O-CD1 3.34Å; C450-W463 HydrophobicContact CB-CH2 3.56Å; C450-W463 HydrophobicContact CB-CZ2 3.35Å; C450-W463 HydrophobicContact CB-CZ3 4.48Å; C450-Q484 WeakPolarHBondContact O-CA 3.43Å; C450-S485 PolarHBondContact N-O 3.37Å; C450-S485 PolarHBondContact O-N 3.06Å; C450-C502 HydrophobicContact CB-CB 3.67Å; C450-C502 WeakPolarHBondContact CB-SG 3.38Å; C450-C502 WeakPolarHBondContact SG-CB 3.44Å; C450-C502 CovalentContact SG-SG 2.04Å; C450-C502 PolarHBondContact SG-SG 2.86Å |
| 451 | V | 88.8 | Confident | 84.5 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 17% | 0.17 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.3 | -172.5 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | T431 F433 T449 V482 Q484 | T431-V451 PolarHBondContact N-O 2.99Å; T431-V451 PolarHBondContact O-N 3.06Å; T431-V451 PolarHBondContact OG1-O 2.88Å; F433-V451 HydrophobicContact CD2-CG2 4.2Å; F433-V451 HydrophobicContact CE2-CB 4.42Å; F433-V451 HydrophobicContact CE2-CG2 4.26Å; T449-V451 HydrophobicContact CG2-CG2 4.1Å; V451-V482 HydrophobicContact CG1-CG1 3.54Å; V451-Q484 HydrophobicContact CG2-CG 4.15Å |
| 452 | A | 88.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T429 L430 P459 I461 A483 A504 | T429-A452 WeakPolarHBondContact O-CA 3.33Å; L430-A452 HydrophobicContact CD1-CB 3.73Å; A452-P459 HydrophobicContact CB-CG 3.56Å; A452-I461 HydrophobicContact CB-CD1 3.99Å; A452-I461 HydrophobicContact CB-CG1 4.24Å; A452-A483 PolarHBondContact N-O 3.34Å; A452-A483 PolarHBondContact O-N 3.16Å; A452-A504 HydrophobicContact CB-CB 3.9Å |
| 453 | A | 85.6 | Confident | 85 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 26% | 0.264 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E428 T429 V482 | E428-A453 PolarHBondContact N-O 2.83Å; T429-A453 PolarHBondContact N-O 2.63Å; T429-A453 PolarHBondContact O-N 3.16Å; T429-A453 VanDerWaalsContact O-N 3.1Å; A453-V482 HydrophobicContact CB-CG2 4.43Å |
| 454 | G | 82.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.1 | -171.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P459 N481 | G454-P459 WeakPolarHBondContact O-CD 3.05Å; G454-N481 PolarHBondContact N-O 2.81Å |
| 455 | G | 80.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.4 | 136.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R394 Y425 A426 P457 | R394-G455 PolarHBondContact NH1-O 2.79Å; R394-G455 PolarHBondContact NH2-O 2.92Å; Y425-G455 VanDerWaalsContact CE2-N 3.26Å; Y425-G455 CarbonylContact O-C 3.54Å; Y425-G455 VanDerWaalsContact O-CA 3.29Å; Y425-G455 WeakPolarHBondContact O-CA 3.36Å; A426-G455 WeakPolarHBondContact O-CA 3.36Å; A426-G455 PolarHBondContact O-N 2.9Å; G455-P457 CarbonylContact C-O 3.6Å |
| 456 | N | 83.4 | Confident | 85.3 | Confident | 18 Ų | 18 | 30.1 Ų | 30.1 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 120.4 | 168 | -166.2 | 29.1 | 0 | 0 | 0 | 109.9 | R394 S422 I423 L424 Y425 | R394-N456 VanDerWaalsContact NH1-CB 3.32Å; R394-N456 VanDerWaalsContact NH1-CG 3.31Å; R394-N456 PolarHBondContact NH1-OD1 2.6Å; R394-N456 PolarHBondContact O-ND2 3.5Å; S422-N456 PolarHBondContact OG-ND2 2.93Å; I423-N456 VanDerWaalsContact O-CB 3.24Å; I423-N456 WeakPolarHBondContact O-CB 3.19Å; I423-N456 PolarHBondContact O-ND2 2.99Å; L424-N456 WeakPolarHBondContact CA-O 3.43Å; Y425-N456 HydrophobicContact CD1-CB 3.72Å; Y425-N456 HydrophobicContact CE1-CB 3.41Å; Y425-N456 VanDerWaalsContact CE1-CB 3.41Å; Y425-N456 PolarHBondContact N-O 3.14Å; Y425-N456 PolarHBondContact O-N 3.46Å |
| 457 | P | 83 | Confident | 85.1 | Confident | 65 Ų | 65 | 39.9 Ų | 39.9 | 42% | 0.422 | 21% | 0.214 | S | C | . | . | S | Bend | cis | -59.9 | 161.9 | -7.6 | 28.9 | -36.5 | 0 | 0 | 0 | 111.9 | G455 N506 | G455-P457 CarbonylContact C-O 3.6Å; P457-N506 HydrophobicContact CG-CB 4.36Å; P457-N506 WeakPolarHBondContact O-CB 3.49Å; P457-N506 PolarHBondContact O-ND2 2.86Å |
| 458 | L | 83 | Confident | 85 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -51.4 | 138.1 | 175.6 | -80.3 | 177 | 0 | 0 | 0 | 110.7 | D480 A483 | L458-D480 WeakPolarHBondContact CD2-O 3.21Å; L458-A483 HydrophobicContact CB-CB 4.33Å; L458-A483 HydrophobicContact CD2-CB 4.31Å |
| 459 | P | 86.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 141.3 | -172.3 | 31.6 | -39.4 | 0 | 0 | 0 | 112 | P427 A452 G454 I461 A483 A504 A505 | P427-P459 HydrophobicContact CB-CB 4.06Å; P427-P459 HydrophobicContact CB-CG 3.85Å; P427-P459 HydrophobicContact CG-CB 3.82Å; P427-P459 HydrophobicContact CG-CG 4.17Å; A452-P459 HydrophobicContact CB-CG 3.56Å; G454-P459 WeakPolarHBondContact O-CD 3.05Å; P459-I461 PolarHBondContact O-N 3.49Å; P459-A483 HydrophobicContact CG-CB 4.08Å; P459-A504 HydrophobicContact CB-CB 4.13Å; P459-A504 HydrophobicContact CG-CB 4.47Å; P459-A505 CarbonylContact C-O 3.56Å; P459-A505 WeakPolarHBondContact CA-O 3.43Å |
| 460 | T | 83.3 | Confident | 84.7 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 105.2 | 175.2 | -61.3 | 0 | 0 | 0 | 0 | 109 | T462 A505 | T460-T462 HydrophobicContact CG2-CG2 3.95Å; T460-A505 PolarHBondContact N-O 2.93Å |
| 461 | I | 87.9 | Confident | 83.7 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 127.1 | 172.5 | -54.5 | 178.7 | 0 | 0 | 0 | 109.4 | C450 A452 P459 R475 A483 C502 T503 A504 | C450-I461 HydrophobicContact CB-CG2 4.15Å; C450-I461 WeakPolarHBondContact O-CD1 3.34Å; A452-I461 HydrophobicContact CB-CD1 3.99Å; A452-I461 HydrophobicContact CB-CG1 4.24Å; P459-I461 PolarHBondContact O-N 3.49Å; I461-R475 PolarHBondContact O-NH2 3.43Å; I461-A483 HydrophobicContact CD1-CB 4.27Å; I461-A483 WeakPolarHBondContact CD1-O 3.4Å; I461-C502 HydrophobicContact CG2-CB 4.22Å; I461-T503 CarbonylContact C-O 3.59Å; I461-T503 VanDerWaalsContact CA-O 3.28Å; I461-T503 WeakPolarHBondContact CA-O 3.45Å; I461-A504 HydrophobicContact CG1-CB 4.24Å |
| 462 | T | 86.7 | Confident | 82.3 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.1 | 175.2 | 71.2 | 0 | 0 | 0 | 0 | 111.2 | T460 F464 C502 T503 | T460-T462 HydrophobicContact CG2-CG2 3.95Å; T462-F464 WeakPolarHBondContact OG1-CE2 3.49Å; T462-C502 CarbonylContact O-C 3.6Å; T462-C502 VanDerWaalsContact O-CA 3.29Å; T462-C502 WeakPolarHBondContact O-CA 3.48Å; T462-T503 PolarHBondContact N-O 3.38Å; T462-T503 PolarHBondContact O-N 2.83Å; T462-T503 PolarHBondContact OG1-OG1 3.3Å |
| 463 | W | 90 | Very high | 80.9 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.2 | -175.9 | -73.6 | 105.7 | 0 | 0 | 0 | 111.1 | M432 L448 C450 R469 L470 S485 L487 K501 C502 | M432-W463 HydrophobicContact CG-CH2 4.22Å; M432-W463 HydrophobicContact SD-CH2 3.56Å; M432-W463 VanDerWaalsContact SD-CH2 3.56Å; M432-W463 HydrophobicContact SD-CZ3 3.4Å; M432-W463 WeakPolarHBondContact SD-CZ3 3.3Å; L448-W463 HydrophobicContact CB-CH2 3.55Å; L448-W463 HydrophobicContact CB-CZ2 4.38Å; L448-W463 HydrophobicContact CB-CZ3 3.93Å; L448-W463 HydrophobicContact CD1-CZ3 4.27Å; L448-W463 VanDerWaalsContact O-CZ2 3.31Å; L448-W463 WeakPolarHBondContact O-CZ2 3.48Å; C450-W463 HydrophobicContact CB-CH2 3.56Å; C450-W463 HydrophobicContact CB-CZ2 3.35Å; C450-W463 HydrophobicContact CB-CZ3 4.48Å; W463-R469 WeakPolarHBondContact O-CA 3.29Å; W463-L470 HydrophobicContact CB-CB 4.05Å; W463-L470 HydrophobicContact CB-CD1 4.31Å; W463-L470 PolarHBondContact O-N 2.92Å; W463-S485 WeakPolarHBondContact CZ2-O 3.43Å; W463-S485 PolarHBondContact NE1-OG 2.6Å; W463-L487 HydrophobicContact CB-CD2 4.21Å; W463-L487 HydrophobicContact CD2-CB 3.73Å; W463-L487 HydrophobicContact CD2-CD2 3.7Å; W463-L487 HydrophobicContact CD2-CG 4.33Å; W463-L487 VanDerWaalsContact CE2-CB 3.48Å; W463-L487 HydrophobicContact CE3-CB 4.19Å; W463-L487 HydrophobicContact CE3-CD2 3.56Å; W463-L487 HydrophobicContact CG-CB 4.11Å; W463-L487 HydrophobicContact CG-CD2 4Å; W463-L487 HydrophobicContact CH2-CB 4.2Å; W463-L487 HydrophobicContact CZ2-CB 3.74Å; W463-L487 HydrophobicContact CZ3-CB 4.4Å; W463-L487 HydrophobicContact CZ3-CD2 4.08Å; W463-K501 CarbonylContact C-O 3.5Å; W463-C502 HydrophobicContact CD2-CB 4Å; W463-C502 HydrophobicContact CE3-CB 3.74Å; W463-C502 HydrophobicContact CH2-CB 4.15Å; W463-C502 HydrophobicContact CZ2-CB 4.39Å; W463-C502 HydrophobicContact CZ3-CB 3.83Å |
| 464 | F | 87.2 | Confident | 79.7 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 141.7 | 178.8 | -60.4 | -97.3 | 0 | 0 | 0 | 110.9 | T462 R468 R469 Y500 K501 T503 | T462-F464 WeakPolarHBondContact OG1-CE2 3.49Å; F464-R468 CarbonylContact C-O 3.56Å; F464-R468 WeakPolarHBondContact CA-O 3.43Å; F464-R469 HydrophobicContact CD1-CB 3.98Å; F464-R469 HydrophobicContact CE1-CB 3.83Å; F464-R469 HydrophobicContact CE1-CG 4.24Å; F464-Y500 WeakPolarHBondContact O-CA 3.25Å; F464-K501 HydrophobicContact CB-CB 4.2Å; F464-K501 HydrophobicContact CB-CG 4.47Å; F464-K501 HydrophobicContact CD2-CG 4.26Å; F464-K501 PolarHBondContact N-O 3.08Å; F464-K501 PolarHBondContact O-N 3.45Å; F464-T503 HydrophobicContact CD2-CG2 4.25Å; F464-T503 HydrophobicContact CE2-CG2 3.86Å |
| 465 | K | 85.2 | Confident | 78.8 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.8 | 162.5 | 178.1 | 179.7 | 170.2 | 178.5 | 0 | 107.4 | K467 R468 L470 S494 D495 A498 Y500 | K465-K467 PolarHBondContact O-N 3.07Å; K465-R468 PolarHBondContact N-O 3.41Å; K465-R468 PolarHBondContact O-N 3.43Å; K465-L470 HydrophobicContact CB-CD1 4.2Å; K465-L470 HydrophobicContact CB-CD2 4.13Å; K465-L470 HydrophobicContact CB-CG 4.35Å; K465-S494 WeakPolarHBondContact CE-O 3.5Å; K465-S494 PolarHBondContact NZ-O 3.02Å; K465-S494 PolarHBondContact NZ-OG 3.37Å; K465-D495 WeakPolarHBondContact CE-OD1 3.37Å; K465-D495 IonicContact NZ-OD1 3.52Å; K465-D495 PolarHBondContact NZ-OD1 3.49Å; K465-A498 HydrophobicContact CG-CB 4.26Å; K465-Y500 HydrophobicContact CD-CE2 4.28Å; K465-Y500 HydrophobicContact CG-CE2 4.12Å |
| 466 | G | 78.6 | Confident | 77.9 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -119.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T499 | G466-T499 PolarHBondContact N-O 3.13Š|
| 467 | K | 78.8 | Confident | 77 | Confident | 214 Ų | 214 | 75.5 Ų | 75.5 | 93% | 0.93 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -9.1 | 175.9 | -63.2 | -174.1 | -179.8 | -178 | 0 | 114.2 | K465 | K465-K467 PolarHBondContact O-N 3.07Š|
| 468 | R | 82.9 | Confident | 76 | Confident | 194 Ų | 194 | 76.8 Ų | 76.8 | 73% | 0.732 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.2 | -174.9 | 178.3 | 178.2 | 174.4 | -174.6 | -0.6 | 110.9 | F464 K465 | F464-R468 CarbonylContact C-O 3.56Å; F464-R468 WeakPolarHBondContact CA-O 3.43Å; K465-R468 PolarHBondContact N-O 3.41Å; K465-R468 PolarHBondContact O-N 3.43Å |
| 469 | R | 84.7 | Confident | 75.1 | Confident | 143 Ų | 143 | 77 Ų | 77 | 54% | 0.54 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 137.1 | 169.8 | -174.4 | 174.1 | 173 | 171.2 | -1.4 | 110.9 | W463 F464 | W463-R469 WeakPolarHBondContact O-CA 3.29Å; F464-R469 HydrophobicContact CD1-CB 3.98Å; F464-R469 HydrophobicContact CE1-CB 3.83Å; F464-R469 HydrophobicContact CE1-CG 4.24Å |
| 470 | L | 82.7 | Confident | 74.2 | Confident | 36 Ų | 36 | 83 Ų | 83 | 19% | 0.188 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140 | 175.2 | -59.4 | 177.1 | 0 | 0 | 0 | 109.7 | W463 K465 S472 L487 Y500 | W463-L470 HydrophobicContact CB-CB 4.05Å; W463-L470 HydrophobicContact CB-CD1 4.31Å; W463-L470 PolarHBondContact O-N 2.92Å; K465-L470 HydrophobicContact CB-CD1 4.2Å; K465-L470 HydrophobicContact CB-CD2 4.13Å; K465-L470 HydrophobicContact CB-CG 4.35Å; L470-S472 VanDerWaalsContact C-N 3.34Å; L470-L487 HydrophobicContact CD1-CD1 4.34Å; L470-L487 HydrophobicContact CD1-CD2 3.83Å; L470-Y500 HydrophobicContact CD1-CD1 4.32Å; L470-Y500 HydrophobicContact CD1-CE1 3.96Å |
| 471 | N | 69.1 | Low | 73.9 | Confident | 159 Ų | 159 | 83.6 Ų | 83.6 | 85% | 0.85 | 44% | 0.436 | S | S | * | . | trans | -99.6 | 25 | -179.9 | -66.8 | -8.3 | 0 | 0 | 0 | 112.1 | ||||
| 472 | S | 60.3 | Low | 73.6 | Confident | 53 Ų | 53 | 85 Ų | 85 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | trans | -125.6 | 125.4 | -172.3 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | L470 L487 | L470-S472 VanDerWaalsContact C-N 3.34Å; S472-L487 WeakPolarHBondContact O-CD1 3.47Å; S472-L487 WeakPolarHBondContact OG-CD1 3.31Å | ||
| 473 | G | 58.8 | Low | 73.5 | Confident | 36 Ų | 36 | 84.6 Ų | 84.6 | 37% | 0.371 | 44% | 0.443 | S | S | . | . | trans | 167.4 | 121.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R475 E486 | G473-R475 PolarHBondContact O-N 3.37Å; G473-E486 CarbonylContact C-O 3.54Å; G473-E486 VanDerWaalsContact CA-O 3.23Å; G473-E486 WeakPolarHBondContact CA-O 3.26Å | ||
| 474 | I | 59.8 | Low | 73.2 | Confident | 115 Ų | 115 | 86.8 Ų | 86.8 | 59% | 0.59 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 112.2 | 172.7 | -61.8 | 174.1 | 0 | 0 | 0 | 106.6 | S485 E486 | I474-S485 WeakPolarHBondContact O-CA 3.28Å; I474-E486 PolarHBondContact N-O 3.3Å; I474-E486 PolarHBondContact O-N 3.43Å |
| 475 | R | 63.9 | Low | 73.2 | Confident | 149 Ų | 149 | 85 Ų | 85 | 56% | 0.562 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.5 | 176.9 | -69.7 | 177.8 | 170.5 | -176.1 | -7.1 | 109.2 | I461 G473 Q484 | I461-R475 PolarHBondContact O-NH2 3.43Å; G473-R475 PolarHBondContact O-N 3.37Å; R475-Q484 WeakPolarHBondContact CA-O 3.21Å |
| 476 | S | 60.5 | Low | 73.2 | Confident | 45 Ų | 45 | 84.5 Ų | 84.5 | 32% | 0.315 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125 | 173.8 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | V478 Q484 | S476-V478 PolarHBondContact O-N 3.08Å; S476-Q484 PolarHBondContact N-O 3.25Å; S476-Q484 WeakPolarHBondContact O-CA 3.34Å; S476-Q484 WeakPolarHBondContact O-CB 3.5Å; S476-Q484 PolarHBondContact O-N 3.45Å |
| 477 | S | 63.8 | Low | 73.5 | Confident | 86 Ų | 86 | 82.5 Ų | 82.5 | 60% | 0.601 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 108.4 | 157.5 | 48.9 | 0 | 0 | 0 | 0 | 107 | S479 | S477-S479 VanDerWaalsContact C-N 3.34Å |
| 478 | V | 63 | Low | 73.7 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 56% | 0.564 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | -30.6 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | S476 V482 Q484 | S476-V478 PolarHBondContact O-N 3.08Å; V478-V482 PolarHBondContact N-O 3.02Å; V478-V482 VanDerWaalsContact N-O 3.09Å; V478-Q484 HydrophobicContact CG2-CB 3.79Å |
| 479 | S | 64 | Low | 73.8 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 171.6 | 169.3 | 67.9 | 0 | 0 | 0 | 0 | 109.1 | S477 N481 V482 | S477-S479 VanDerWaalsContact C-N 3.34Å; S479-N481 PolarHBondContact O-N 3.05Å; S479-N481 PolarHBondContact OG-N 2.84Å; S479-V482 PolarHBondContact O-N 3.48Å; S479-V482 VanDerWaalsContact O-N 3.08Å; S479-V482 PolarHBondContact OG-N 2.91Å |
| 480 | D | 67.9 | Low | 73.7 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.6 | 176.9 | -52.4 | -35.8 | 0 | 0 | 0 | 113 | R394 L458 | R394-D480 PolarHBondContact NE-O 2.99Å; R394-D480 VanDerWaalsContact NE-O 3.09Å; R394-D480 PolarHBondContact NH2-O 2.94Å; L458-D480 WeakPolarHBondContact CD2-O 3.21Å |
| 481 | N | 75.3 | Confident | 73.9 | Confident | 81 Ų | 81 | 63 Ų | 63 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -4.4 | -179.6 | -82.5 | -14 | 0 | 0 | 0 | 115.2 | R394 G454 S479 | R394-N481 VanDerWaalsContact CZ-OD1 3.24Å; R394-N481 PolarHBondContact NE-OD1 3.48Å; R394-N481 PolarHBondContact NH2-OD1 2.82Å; G454-N481 PolarHBondContact N-O 2.81Å; S479-N481 PolarHBondContact O-N 3.05Å; S479-N481 PolarHBondContact OG-N 2.84Å |
| 482 | V | 83 | Confident | 74.6 | Confident | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.218 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 113.8 | -172.6 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | V451 A453 V478 S479 | V451-V482 HydrophobicContact CG1-CG1 3.54Å; A453-V482 HydrophobicContact CB-CG2 4.43Å; V478-V482 PolarHBondContact N-O 3.02Å; V478-V482 VanDerWaalsContact N-O 3.09Å; S479-V482 PolarHBondContact O-N 3.48Å; S479-V482 VanDerWaalsContact O-N 3.08Å; S479-V482 PolarHBondContact OG-N 2.91Å |
| 483 | A | 82.9 | Confident | 75.7 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | A452 L458 P459 I461 | A452-A483 PolarHBondContact N-O 3.34Å; A452-A483 PolarHBondContact O-N 3.16Å; L458-A483 HydrophobicContact CB-CB 4.33Å; L458-A483 HydrophobicContact CD2-CB 4.31Å; P459-A483 HydrophobicContact CG-CB 4.08Å; I461-A483 HydrophobicContact CD1-CB 4.27Å; I461-A483 WeakPolarHBondContact CD1-O 3.4Å |
| 484 | Q | 85.3 | Confident | 76.8 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 23% | 0.229 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.9 | 174.1 | 178.3 | 173 | -43.5 | 0 | 0 | 110.1 | T449 C450 V451 R475 S476 V478 | T449-Q484 HydrophobicContact CG2-CG 3.71Å; C450-Q484 WeakPolarHBondContact O-CA 3.43Å; V451-Q484 HydrophobicContact CG2-CG 4.15Å; R475-Q484 WeakPolarHBondContact CA-O 3.21Å; S476-Q484 PolarHBondContact N-O 3.25Å; S476-Q484 WeakPolarHBondContact O-CA 3.34Å; S476-Q484 WeakPolarHBondContact O-CB 3.5Å; S476-Q484 PolarHBondContact O-N 3.45Å; V478-Q484 HydrophobicContact CG2-CB 3.79Å |
| 485 | S | 87.5 | Confident | 78 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 121.6 | 172 | -173.5 | 0 | 0 | 0 | 0 | 109 | C450 W463 I474 | C450-S485 PolarHBondContact N-O 3.37Å; C450-S485 PolarHBondContact O-N 3.06Å; W463-S485 WeakPolarHBondContact CZ2-O 3.43Å; W463-S485 PolarHBondContact NE1-OG 2.6Å; I474-S485 WeakPolarHBondContact O-CA 3.28Å |
| 486 | E | 84.4 | Confident | 78.9 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114.5 | 175.2 | -171.8 | -175.8 | 166.6 | 0 | 0 | 109.9 | R447 G473 I474 T488 | R447-E486 WeakPolarHBondContact CD-OE1 3.33Å; R447-E486 IonicContact CZ-OE1 2.69Å; R447-E486 IonicContact NE-OE1 3.82Å; R447-E486 IonicContact NH1-OE1 2.68Å; R447-E486 PolarHBondContact NH1-OE1 3.16Å; G473-E486 CarbonylContact C-O 3.54Å; G473-E486 VanDerWaalsContact CA-O 3.23Å; G473-E486 WeakPolarHBondContact CA-O 3.26Å; I474-E486 PolarHBondContact N-O 3.3Å; I474-E486 PolarHBondContact O-N 3.43Å; E486-T488 HydrophobicContact CG-CG2 4.05Å; E486-T488 WeakPolarHBondContact OE1-CG2 3.45Å |
| 487 | L | 85.3 | Confident | 79.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 109.2 | 171.2 | 170.8 | 64 | 0 | 0 | 0 | 109.2 | L448 W463 L470 S472 F489 Y500 | L448-L487 PolarHBondContact N-O 2.82Å; L448-L487 PolarHBondContact O-N 2.89Å; W463-L487 HydrophobicContact CB-CD2 4.21Å; W463-L487 HydrophobicContact CD2-CB 3.73Å; W463-L487 HydrophobicContact CD2-CD2 3.7Å; W463-L487 HydrophobicContact CD2-CG 4.33Å; W463-L487 VanDerWaalsContact CE2-CB 3.48Å; W463-L487 HydrophobicContact CE3-CB 4.19Å; W463-L487 HydrophobicContact CE3-CD2 3.56Å; W463-L487 HydrophobicContact CG-CB 4.11Å; W463-L487 HydrophobicContact CG-CD2 4Å; W463-L487 HydrophobicContact CH2-CB 4.2Å; W463-L487 HydrophobicContact CZ2-CB 3.74Å; W463-L487 HydrophobicContact CZ3-CB 4.4Å; W463-L487 HydrophobicContact CZ3-CD2 4.08Å; L470-L487 HydrophobicContact CD1-CD1 4.34Å; L470-L487 HydrophobicContact CD1-CD2 3.83Å; S472-L487 WeakPolarHBondContact O-CD1 3.47Å; S472-L487 WeakPolarHBondContact OG-CD1 3.31Å; L487-F489 HydrophobicContact CD2-CD1 4.39Å; L487-F489 HydrophobicContact CG-CD1 4.02Å; L487-Y500 HydrophobicContact CD2-CD1 3.72Å; L487-Y500 HydrophobicContact CD2-CE1 3.83Å |
| 488 | T | 81.7 | Confident | 80.7 | Confident | 59 Ų | 59 | 47.5 Ų | 47.5 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 133.9 | 169.4 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | A446 R447 E486 | A446-T488 WeakPolarHBondContact O-CA 3.3Å; R447-T488 HydrophobicContact CG-CG2 3.99Å; E486-T488 HydrophobicContact CG-CG2 4.05Å; E486-T488 WeakPolarHBondContact OE1-CG2 3.45Å |
| 489 | F | 84.8 | Confident | 81.8 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156.2 | 177.7 | 65.1 | -75.7 | 0 | 0 | 0 | 110.6 | V445 A446 L448 L487 Y500 L519 | V445-F489 CarbonylContact C-O 3.54Å; V445-F489 WeakPolarHBondContact CA-O 3.42Å; A446-F489 HydrophobicContact CB-CD1 4.35Å; A446-F489 HydrophobicContact CB-CE1 3.75Å; A446-F489 HydrophobicContact CB-CE2 4.1Å; A446-F489 HydrophobicContact CB-CZ 3.59Å; A446-F489 PolarHBondContact N-O 3.44Å; A446-F489 PolarHBondContact O-N 2.63Å; A446-F489 VanDerWaalsContact O-N 3.11Å; L448-F489 HydrophobicContact CD1-CE1 3.97Å; L448-F489 HydrophobicContact CD1-CZ 4.43Å; L448-F489 HydrophobicContact CG-CE1 4.15Å; L487-F489 HydrophobicContact CD2-CD1 4.39Å; L487-F489 HydrophobicContact CG-CD1 4.02Å; F489-Y500 HydrophobicContact CD1-CE1 4.27Å; F489-Y500 HydrophobicContact CD2-CE1 4.5Å; F489-Y500 WeakPolarHBondContact CD2-OH 3.33Å; F489-Y500 HydrophobicContact CE1-CD1 4.49Å; F489-Y500 AromaticContact CE1-CE1 3.97Å; F489-Y500 HydrophobicContact CE1-CE1 3.97Å; F489-Y500 HydrophobicContact CE2-CE1 4.22Å; F489-Y500 HydrophobicContact CE2-CE2 4.37Å; F489-Y500 AromaticContact CE2-CZ 3.74Å; F489-Y500 WeakPolarHBondContact CE2-OH 3.49Å; F489-Y500 AromaticContact CZ-CE1 3.96Å; F489-Y500 HydrophobicContact CZ-CE1 3.96Å; F489-Y500 HydrophobicContact CZ-CE2 4.37Å; F489-Y500 AromaticContact CZ-CZ 3.84Å; F489-L519 HydrophobicContact CE2-CD1 3.96Å; F489-L519 HydrophobicContact CZ-CD1 3.54Å |
| 490 | T | 84.4 | Confident | 82.9 | Confident | 88 Ų | 88 | 43.3 Ų | 43.3 | 54% | 0.54 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.2 | 170.4 | -50.3 | 0 | 0 | 0 | 0 | 108.2 | G443 T444 A492 | G443-T490 WeakPolarHBondContact O-CG2 3.42Å; T444-T490 CarbonylContact O-C 3.47Å; T444-T490 WeakPolarHBondContact O-CA 3.3Å; T490-A492 PolarHBondContact O-N 3.1Å |
| 491 | A | 85.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | trans | -63.7 | 120.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L440 A442 G443 T444 V521 | L440-A491 HydrophobicContact CB-CB 4.31Å; L440-A491 HydrophobicContact CD1-CB 4.48Å; A442-A491 CarbonylContact C-O 3.5Å; A442-A491 VanDerWaalsContact CA-O 3.3Å; A442-A491 WeakPolarHBondContact CA-O 3.45Å; G443-A491 PolarHBondContact N-O 3.39Å; T444-A491 PolarHBondContact O-N 2.88Å; A491-V521 HydrophobicContact CB-CG1 4.27Å | ||
| 492 | A | 84.4 | Confident | 84.6 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | trans | -104.1 | 159.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T490 S494 D495 | T490-A492 PolarHBondContact O-N 3.1Å; A492-S494 PolarHBondContact O-N 2.92Å; A492-S494 VanDerWaalsContact O-N 3.12Å; A492-D495 PolarHBondContact N-OD2 2.93Å; A492-D495 WeakPolarHBondContact O-CB 3.47Å; A492-D495 PolarHBondContact O-N 3.14Å | ||
| 493 | P | 83.7 | Confident | 85 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -52 | -36.2 | 172.3 | -29.6 | 37.6 | 0 | 0 | 0 | 113.1 | A442 D495 N496 F523 N579 | A442-P493 HydrophobicContact CB-CG 4.23Å; P493-D495 PolarHBondContact O-N 2.85Å; P493-D495 VanDerWaalsContact O-N 3.15Å; P493-N496 WeakPolarHBondContact O-CB 3.47Å; P493-N496 PolarHBondContact O-N 2.89Å; P493-N496 VanDerWaalsContact O-N 3.12Å; P493-F523 HydrophobicContact CB-CB 4.1Å; P493-F523 HydrophobicContact CB-CD1 3.89Å; P493-F523 HydrophobicContact CB-CD2 3.96Å; P493-F523 HydrophobicContact CB-CE1 4.28Å; P493-F523 HydrophobicContact CB-CE2 4.33Å; P493-F523 HydrophobicContact CB-CG 3.73Å; P493-F523 HydrophobicContact CB-CZ 4.5Å; P493-F523 HydrophobicContact CG-CB 3.88Å; P493-F523 HydrophobicContact CG-CD2 4.42Å; P493-F523 HydrophobicContact CG-CG 4.08Å; P493-N579 HydrophobicContact CB-CB 4.3Å; P493-N579 WeakPolarHBondContact CB-ND2 3.49Å; P493-N579 WeakPolarHBondContact O-CB 3.4Å |
| 494 | S | 82.4 | Confident | 85.3 | Confident | 60 Ų | 60 | 34.1 Ų | 34.1 | 42% | 0.42 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -69.9 | -2.1 | 176.3 | 78.3 | 0 | 0 | 0 | 0 | 115.4 | K465 A492 N579 | K465-S494 WeakPolarHBondContact CE-O 3.5Å; K465-S494 PolarHBondContact NZ-O 3.02Å; K465-S494 PolarHBondContact NZ-OG 3.37Å; A492-S494 PolarHBondContact O-N 2.92Å; A492-S494 VanDerWaalsContact O-N 3.12Å; S494-N579 WeakPolarHBondContact CA-OD1 3.33Å |
| 495 | D | 83.6 | Confident | 85.4 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -91 | -9.2 | 171.9 | -60.7 | -37.8 | 0 | 0 | 0 | 112.1 | K465 A492 P493 R497 A498 Y500 V521 | K465-D495 WeakPolarHBondContact CE-OD1 3.37Å; K465-D495 IonicContact NZ-OD1 3.52Å; K465-D495 PolarHBondContact NZ-OD1 3.49Å; A492-D495 PolarHBondContact N-OD2 2.93Å; A492-D495 WeakPolarHBondContact O-CB 3.47Å; A492-D495 PolarHBondContact O-N 3.14Å; P493-D495 PolarHBondContact O-N 2.85Å; P493-D495 VanDerWaalsContact O-N 3.15Å; D495-R497 PolarHBondContact O-N 2.99Å; D495-A498 HydrophobicContact CB-CB 4.48Å; D495-A498 WeakPolarHBondContact O-CB 3.42Å; D495-A498 PolarHBondContact O-N 2.94Å; D495-Y500 HydrophobicContact CB-CE2 4.43Å; D495-Y500 PolarHBondContact OD1-OH 3.37Å; D495-V521 HydrophobicContact CB-CG2 3.92Å |
| 496 | N | 84.5 | Confident | 85.3 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 124.9 | 175.7 | -173.7 | 42.4 | 0 | 0 | 0 | 111.3 | P493 A498 V521 F523 N553 N579 | P493-N496 WeakPolarHBondContact O-CB 3.47Å; P493-N496 PolarHBondContact O-N 2.89Å; P493-N496 VanDerWaalsContact O-N 3.12Å; N496-A498 PolarHBondContact O-N 3.37Å; N496-V521 HydrophobicContact CB-CB 4.04Å; N496-V521 PolarHBondContact OD1-N 2.89Å; N496-V521 PolarHBondContact OD1-O 2.85Å; N496-F523 HydrophobicContact CB-CD1 4.44Å; N496-F523 HydrophobicContact CB-CE1 3.77Å; N496-N553 PolarHBondContact ND2-ND2 3.11Å; N496-N553 PolarHBondContact OD1-ND2 3.47Å; N496-N579 WeakPolarHBondContact CB-O 3.3Å; N496-N579 PolarHBondContact ND2-O 3.05Å |
| 497 | R | 78.8 | Confident | 85.2 | Confident | 145 Ų | 145 | 36.2 Ų | 36.2 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 16.6 | -167.4 | -50.1 | -168.8 | -173.2 | 108.9 | 20.3 | 114.3 | D495 L519 G580 | D495-R497 PolarHBondContact O-N 2.99Å; R497-L519 VanDerWaalsContact CA-O 3.32Å; R497-L519 WeakPolarHBondContact CA-O 2.97Å; R497-L519 PolarHBondContact N-O 2.88Å; R497-G580 VanDerWaalsContact NH1-CA 3.25Å; R497-G580 PolarHBondContact NH1-O 2.83Å; R497-G580 PolarHBondContact NH2-O 3Å |
| 498 | A | 83.2 | Confident | 85 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 12% | 0.116 | 22% | 0.224 | C | C | . | . | trans | -76.5 | 127.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K465 D495 N496 Y500 L519 | K465-A498 HydrophobicContact CG-CB 4.26Å; D495-A498 HydrophobicContact CB-CB 4.48Å; D495-A498 WeakPolarHBondContact O-CB 3.42Å; D495-A498 PolarHBondContact O-N 2.94Å; N496-A498 PolarHBondContact O-N 3.37Å; A498-Y500 HydrophobicContact CB-CD2 4.35Å; A498-Y500 HydrophobicContact CB-CE2 4.06Å; A498-Y500 PolarHBondContact O-N 2.95Å; A498-L519 PolarHBondContact O-N 3.31Å; A498-L519 VanDerWaalsContact O-N 3.14Å | ||
| 499 | T | 85 | Confident | 85 | Confident | 52 Ų | 52 | 35.9 Ų | 35.9 | 32% | 0.319 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 108.4 | 172.1 | -54.5 | 0 | 0 | 0 | 0 | 109.2 | G466 I516 N518 | G466-T499 PolarHBondContact N-O 3.13Å; T499-I516 HydrophobicContact CG2-CG2 3.39Å; T499-N518 WeakPolarHBondContact CB-OD1 3.23Å; T499-N518 WeakPolarHBondContact CG2-OD1 3.04Å; T499-N518 PolarHBondContact OG1-OD1 3.34Å |
| 500 | Y | 87.6 | Confident | 84.7 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.3 | 167.4 | -81.9 | -109.5 | 0 | 0 | 0 | 108.9 | L448 F464 K465 L470 L487 F489 D495 A498 I516 A517 L519 | L448-Y500 HydrophobicContact CD1-CD1 3.9Å; L448-Y500 HydrophobicContact CD1-CG 4.01Å; F464-Y500 WeakPolarHBondContact O-CA 3.25Å; K465-Y500 HydrophobicContact CD-CE2 4.28Å; K465-Y500 HydrophobicContact CG-CE2 4.12Å; L470-Y500 HydrophobicContact CD1-CD1 4.32Å; L470-Y500 HydrophobicContact CD1-CE1 3.96Å; L487-Y500 HydrophobicContact CD2-CD1 3.72Å; L487-Y500 HydrophobicContact CD2-CE1 3.83Å; F489-Y500 HydrophobicContact CD1-CE1 4.27Å; F489-Y500 HydrophobicContact CD2-CE1 4.5Å; F489-Y500 WeakPolarHBondContact CD2-OH 3.33Å; F489-Y500 HydrophobicContact CE1-CD1 4.49Å; F489-Y500 AromaticContact CE1-CE1 3.97Å; F489-Y500 HydrophobicContact CE1-CE1 3.97Å; F489-Y500 HydrophobicContact CE2-CE1 4.22Å; F489-Y500 HydrophobicContact CE2-CE2 4.37Å; F489-Y500 AromaticContact CE2-CZ 3.74Å; F489-Y500 WeakPolarHBondContact CE2-OH 3.49Å; F489-Y500 AromaticContact CZ-CE1 3.96Å; F489-Y500 HydrophobicContact CZ-CE1 3.96Å; F489-Y500 HydrophobicContact CZ-CE2 4.37Å; F489-Y500 AromaticContact CZ-CZ 3.84Å; D495-Y500 HydrophobicContact CB-CE2 4.43Å; D495-Y500 PolarHBondContact OD1-OH 3.37Å; A498-Y500 HydrophobicContact CB-CD2 4.35Å; A498-Y500 HydrophobicContact CB-CE2 4.06Å; A498-Y500 PolarHBondContact O-N 2.95Å; Y500-I516 CarbonylContact O-C 3.59Å; Y500-I516 WeakPolarHBondContact O-CA 3.23Å; Y500-A517 PolarHBondContact N-O 2.83Å; Y500-A517 PolarHBondContact O-N 2.95Å; Y500-L519 HydrophobicContact CD2-CD1 3.45Å; Y500-L519 VanDerWaalsContact CD2-CD1 3.45Å; Y500-L519 HydrophobicContact CD2-CG 3.9Å; Y500-L519 HydrophobicContact CE2-CD1 3.42Å; Y500-L519 VanDerWaalsContact CE2-CD1 3.42Å; Y500-L519 HydrophobicContact CE2-CG 4.3Å; Y500-L519 HydrophobicContact CG-CD1 4.22Å |
| 501 | K | 89.5 | Confident | 84.6 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.8 | -177 | 161.3 | 175.5 | 167.7 | 177.4 | 0 | 108.4 | W463 F464 T503 V514 A515 I516 | W463-K501 CarbonylContact C-O 3.5Å; F464-K501 HydrophobicContact CB-CB 4.2Å; F464-K501 HydrophobicContact CB-CG 4.47Å; F464-K501 HydrophobicContact CD2-CG 4.26Å; F464-K501 PolarHBondContact N-O 3.08Å; F464-K501 PolarHBondContact O-N 3.45Å; K501-T503 HydrophobicContact CD-CG2 4.2Å; K501-T503 HydrophobicContact CG-CG2 4.07Å; K501-V514 HydrophobicContact CD-CG1 3.81Å; K501-V514 HydrophobicContact CG-CG1 3.93Å; K501-A515 VanDerWaalsContact CA-O 3.32Å; K501-A515 WeakPolarHBondContact CA-O 3.24Å; K501-I516 HydrophobicContact CB-CG1 4.34Å |
| 502 | C | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.2 | 160.4 | 64 | 0 | 0 | 0 | 0 | 109.9 | C450 I461 T462 W463 A515 | C450-C502 HydrophobicContact CB-CB 3.67Å; C450-C502 WeakPolarHBondContact CB-SG 3.38Å; C450-C502 WeakPolarHBondContact SG-CB 3.44Å; C450-C502 CovalentContact SG-SG 2.04Å; C450-C502 PolarHBondContact SG-SG 2.86Å; I461-C502 HydrophobicContact CG2-CB 4.22Å; T462-C502 CarbonylContact O-C 3.6Å; T462-C502 VanDerWaalsContact O-CA 3.29Å; T462-C502 WeakPolarHBondContact O-CA 3.48Å; W463-C502 HydrophobicContact CD2-CB 4Å; W463-C502 HydrophobicContact CE3-CB 3.74Å; W463-C502 HydrophobicContact CH2-CB 4.15Å; W463-C502 HydrophobicContact CZ2-CB 4.39Å; W463-C502 HydrophobicContact CZ3-CB 3.83Å; C502-A515 PolarHBondContact N-O 2.88Å; C502-A515 PolarHBondContact O-N 2.82Å |
| 503 | T | 90.7 | Very high | 84.9 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151.7 | 167.6 | 74.3 | 0 | 0 | 0 | 0 | 111.2 | I461 T462 F464 K501 E512 L513 V514 | I461-T503 CarbonylContact C-O 3.59Å; I461-T503 VanDerWaalsContact CA-O 3.28Å; I461-T503 WeakPolarHBondContact CA-O 3.45Å; T462-T503 PolarHBondContact N-O 3.38Å; T462-T503 PolarHBondContact O-N 2.83Å; T462-T503 PolarHBondContact OG1-OG1 3.3Å; F464-T503 HydrophobicContact CD2-CG2 4.25Å; F464-T503 HydrophobicContact CE2-CG2 3.86Å; K501-T503 HydrophobicContact CD-CG2 4.2Å; K501-T503 HydrophobicContact CG-CG2 4.07Å; T503-E512 WeakPolarHBondContact CB-OE2 3.38Å; T503-E512 WeakPolarHBondContact CG2-OE2 3.49Å; T503-E512 PolarHBondContact OG1-OE2 2.86Å; T503-L513 CarbonylContact C-O 3.58Å; T503-L513 WeakPolarHBondContact CA-O 3.35Å; T503-L513 VanDerWaalsContact CB-O 3.28Å; T503-L513 WeakPolarHBondContact CB-O 3.42Å; T503-V514 HydrophobicContact CG2-CG2 3.98Å |
| 504 | A | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L430 A452 P459 I461 L513 | L430-A504 HydrophobicContact CD1-CB 3.52Å; L430-A504 HydrophobicContact CD2-CB 3.95Å; L430-A504 HydrophobicContact CG-CB 4.27Å; A452-A504 HydrophobicContact CB-CB 3.9Å; P459-A504 HydrophobicContact CB-CB 4.13Å; P459-A504 HydrophobicContact CG-CB 4.47Å; I461-A504 HydrophobicContact CG1-CB 4.24Å; A504-L513 PolarHBondContact N-O 2.84Å; A504-L513 VanDerWaalsContact N-O 3.08Å; A504-L513 PolarHBondContact O-N 2.82Å |
| 505 | A | 86.7 | Confident | 85.4 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 154.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P459 T460 E512 | P459-A505 CarbonylContact C-O 3.56Å; P459-A505 WeakPolarHBondContact CA-O 3.43Å; T460-A505 PolarHBondContact N-O 2.93Å; A505-E512 HydrophobicContact CB-CB 4.23Å; A505-E512 HydrophobicContact CB-CG 3.93Å |
| 506 | N | 86.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | trans | -127.2 | -179.5 | 165.8 | 68.3 | 9.5 | 0 | 0 | 0 | 110 | Y425 P457 V508 S509 | Y425-N506 PolarHBondContact O-ND2 2.84Å; P457-N506 HydrophobicContact CG-CB 4.36Å; P457-N506 WeakPolarHBondContact O-CB 3.49Å; P457-N506 PolarHBondContact O-ND2 2.86Å; N506-V508 PolarHBondContact O-N 3.06Å; N506-V508 PolarHBondContact OD1-N 3.37Å; N506-V508 VanDerWaalsContact OD1-N 3.11Å; N506-S509 PolarHBondContact N-OG 2.87Å; N506-S509 WeakPolarHBondContact O-CB 3.5Å; N506-S509 PolarHBondContact O-N 2.78Å; N506-S509 PolarHBondContact O-OG 3.29Å; N506-S509 PolarHBondContact OD1-N 3.34Å; N506-S509 PolarHBondContact OD1-OG 3.38Å | ||
| 507 | A | 81.2 | Confident | 85.5 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 80% | 0.802 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -7.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 508 | V | 82.1 | Confident | 85.7 | Confident | 28 Ų | 28 | 55 Ų | 55 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -15.3 | 176.9 | -161 | 0 | 0 | 0 | 0 | 112 | L424 N506 E510 | L424-V508 HydrophobicContact CB-CG2 3.63Å; N506-V508 PolarHBondContact O-N 3.06Å; N506-V508 PolarHBondContact OD1-N 3.37Å; N506-V508 VanDerWaalsContact OD1-N 3.11Å; V508-E510 PolarHBondContact O-N 2.92Å |
| 509 | S | 80.5 | Confident | 85.7 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -75.3 | 112.4 | -172 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | P427 N506 K511 | P427-S509 WeakPolarHBondContact CD-OG 3.46Å; N506-S509 PolarHBondContact N-OG 2.87Å; N506-S509 WeakPolarHBondContact O-CB 3.5Å; N506-S509 PolarHBondContact O-N 2.78Å; N506-S509 PolarHBondContact O-OG 3.29Å; N506-S509 PolarHBondContact OD1-N 3.34Å; N506-S509 PolarHBondContact OD1-OG 3.38Å; S509-K511 VanDerWaalsContact C-N 3.29Å; S509-K511 PolarHBondContact O-N 2.81Å | ||
| 510 | E | 79.8 | Confident | 85.6 | Confident | 188 Ų | 188 | 54.9 Ų | 54.9 | 88% | 0.879 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -67.2 | -30.1 | 177.5 | -61.7 | -175.8 | 171.9 | 0 | 0 | 113.1 | V508 | V508-E510 PolarHBondContact O-N 2.92Š|
| 511 | K | 82.9 | Confident | 85.5 | Confident | 181 Ų | 181 | 54.4 Ų | 54.4 | 79% | 0.787 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -137.8 | 141.6 | 175.4 | -66 | 177.8 | -177 | 170.2 | 0 | 108.4 | S509 | S509-K511 VanDerWaalsContact C-N 3.29Å; S509-K511 PolarHBondContact O-N 2.81Å |
| 512 | E | 86.5 | Confident | 85.4 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | trans | -68.6 | 134.3 | 172.8 | -48.6 | -171 | 169.6 | 0 | 0 | 110 | T503 A505 | T503-E512 WeakPolarHBondContact CB-OE2 3.38Å; T503-E512 WeakPolarHBondContact CG2-OE2 3.49Å; T503-E512 PolarHBondContact OG1-OE2 2.86Å; A505-E512 HydrophobicContact CB-CB 4.23Å; A505-E512 HydrophobicContact CB-CG 3.93Å | ||
| 513 | L | 89.4 | Confident | 85.3 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 145.7 | 165 | -65.4 | 177.6 | 0 | 0 | 0 | 108.9 | P427 L430 T503 A504 | P427-L513 HydrophobicContact CB-CD1 4.23Å; P427-L513 HydrophobicContact CG-CD1 4Å; L430-L513 HydrophobicContact CB-CB 3.71Å; L430-L513 HydrophobicContact CB-CD1 4.02Å; L430-L513 VanDerWaalsContact CD2-C 3.49Å; L430-L513 HydrophobicContact CD2-CB 3.84Å; L430-L513 WeakPolarHBondContact CD2-O 3.34Å; L430-L513 HydrophobicContact CG-CB 4.4Å; T503-L513 CarbonylContact C-O 3.58Å; T503-L513 WeakPolarHBondContact CA-O 3.35Å; T503-L513 VanDerWaalsContact CB-O 3.28Å; T503-L513 WeakPolarHBondContact CB-O 3.42Å; A504-L513 PolarHBondContact N-O 2.84Å; A504-L513 VanDerWaalsContact N-O 3.08Å; A504-L513 PolarHBondContact O-N 2.82Å |
| 514 | V | 89 | Confident | 85.2 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 126.9 | -174.3 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | K501 T503 I516 | K501-V514 HydrophobicContact CD-CG1 3.81Å; K501-V514 HydrophobicContact CG-CG1 3.93Å; T503-V514 HydrophobicContact CG2-CG2 3.98Å; V514-I516 HydrophobicContact CG1-CD1 4.16Å; V514-I516 HydrophobicContact CG1-CG1 3.97Å |
| 515 | A | 87.3 | Confident | 85.1 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L430 M432 K501 C502 | L430-A515 HydrophobicContact CD2-CB 4.25Å; L430-A515 HydrophobicContact CG-CB 4.22Å; M432-A515 HydrophobicContact CB-CB 4.12Å; M432-A515 HydrophobicContact CE-CB 4.4Å; K501-A515 VanDerWaalsContact CA-O 3.32Å; K501-A515 WeakPolarHBondContact CA-O 3.24Å; C502-A515 PolarHBondContact N-O 2.88Å; C502-A515 PolarHBondContact O-N 2.82Å |
| 516 | I | 86.3 | Confident | 85.1 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 139.7 | -167.7 | -63.7 | 177.4 | 0 | 0 | 0 | 111.3 | T499 Y500 K501 V514 | T499-I516 HydrophobicContact CG2-CG2 3.39Å; Y500-I516 CarbonylContact O-C 3.59Å; Y500-I516 WeakPolarHBondContact O-CA 3.23Å; K501-I516 HydrophobicContact CB-CG1 4.34Å; V514-I516 HydrophobicContact CG1-CD1 4.16Å; V514-I516 HydrophobicContact CG1-CG1 3.97Å |
| 517 | A | 83.2 | Confident | 85.1 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | M432 Y500 | M432-A517 HydrophobicContact CE-CB 3.64Å; M432-A517 VanDerWaalsContact CE-N 3.31Å; Y500-A517 PolarHBondContact N-O 2.83Å; Y500-A517 PolarHBondContact O-N 2.95Å |
| 518 | N | 83.5 | Confident | 85.6 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 113.7 | 175.2 | -70.9 | -41.9 | 0 | 0 | 0 | 108.8 | T499 | T499-N518 WeakPolarHBondContact CB-OD1 3.23Å; T499-N518 WeakPolarHBondContact CG2-OD1 3.04Å; T499-N518 PolarHBondContact OG1-OD1 3.34Å |
| 519 | L | 82.1 | Confident | 86 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | trans | -84.6 | 139.8 | -175.8 | -55 | -177.9 | 0 | 0 | 0 | 111.5 | H435 L440 F489 R497 A498 Y500 V521 | H435-L519 WeakPolarHBondContact NE2-CD2 3.47Å; L440-L519 HydrophobicContact CD1-CD1 4.28Å; L440-L519 HydrophobicContact CD1-CD2 4.29Å; F489-L519 HydrophobicContact CE2-CD1 3.96Å; F489-L519 HydrophobicContact CZ-CD1 3.54Å; R497-L519 VanDerWaalsContact CA-O 3.32Å; R497-L519 WeakPolarHBondContact CA-O 2.97Å; R497-L519 PolarHBondContact N-O 2.88Å; A498-L519 PolarHBondContact O-N 3.31Å; A498-L519 VanDerWaalsContact O-N 3.14Å; Y500-L519 HydrophobicContact CD2-CD1 3.45Å; Y500-L519 VanDerWaalsContact CD2-CD1 3.45Å; Y500-L519 HydrophobicContact CD2-CG 3.9Å; Y500-L519 HydrophobicContact CE2-CD1 3.42Å; Y500-L519 VanDerWaalsContact CE2-CD1 3.42Å; Y500-L519 HydrophobicContact CE2-CG 4.3Å; Y500-L519 HydrophobicContact CG-CD1 4.22Å; L519-V521 HydrophobicContact CB-CG2 4.39Å | ||
| 520 | T | 82.9 | Confident | 86.6 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | trans | -105 | 127.7 | 161.8 | -58.9 | 0 | 0 | 0 | 0 | 107.6 | P439 L440 | P439-T520 WeakPolarHBondContact CA-O 3.45Å; P439-T520 HydrophobicContact CB-CG2 4.01Å; L440-T520 PolarHBondContact N-O 2.02Å | ||
| 521 | V | 86.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.8 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | L440 A442 A491 D495 N496 L519 F523 N553 | L440-V521 HydrophobicContact CB-CG2 4.34Å; L440-V521 CarbonylContact O-C 3.3Å; L440-V521 VanDerWaalsContact O-CA 3.29Å; L440-V521 WeakPolarHBondContact O-CA 3.4Å; A442-V521 HydrophobicContact CB-CG1 4.15Å; A491-V521 HydrophobicContact CB-CG1 4.27Å; D495-V521 HydrophobicContact CB-CG2 3.92Å; N496-V521 HydrophobicContact CB-CB 4.04Å; N496-V521 PolarHBondContact OD1-N 2.89Å; N496-V521 PolarHBondContact OD1-O 2.85Å; L519-V521 HydrophobicContact CB-CG2 4.39Å; V521-F523 WeakPolarHBondContact O-CD1 3.38Å; V521-N553 PolarHBondContact O-ND2 2.6Å |
| 522 | H | 88 | Confident | 87.7 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.2 | 170.5 | -65.6 | 163 | 0 | 0 | 0 | 110.4 | P439 L440 A442 N553 F609 I610 | P439-H522 VanDerWaalsContact CB-CE1 3.48Å; P439-H522 WeakPolarHBondContact CB-CE1 3.16Å; P439-H522 VanDerWaalsContact CG-CE1 3.45Å; P439-H522 WeakPolarHBondContact CG-CE1 3.4Å; L440-H522 PolarHBondContact O-N 2.86Å; A442-H522 WeakPolarHBondContact CB-O 3.5Å; A442-H522 PolarHBondContact N-O 3.05Å; H522-N553 CarbonylContact C-O 3.58Å; H522-N553 WeakPolarHBondContact CA-O 3.16Å; H522-N553 WeakPolarHBondContact CB-O 3.14Å; H522-F609 AromaticContact CE1-CD2 3.25Å; H522-F609 WeakPolarHBondContact CE1-CD2 3.32Å; H522-F609 AromaticContact CE1-CE2 3.47Å; H522-F609 VanDerWaalsContact CE1-CE2 3.47Å; H522-F609 WeakPolarHBondContact CE1-CE2 3.35Å; H522-F609 AromaticContact ND1-CD2 3.37Å; H522-F609 WeakPolarHBondContact ND1-CD2 3.37Å; H522-F609 AromaticContact ND1-CG 3.91Å; H522-F609 AromaticContact NE2-CD2 3.9Å; H522-F609 AromaticContact NE2-CE2 3.91Å; H522-I610 HydrophobicContact CB-CD1 4.22Å |
| 523 | F | 87.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -148.2 | 144.8 | 176.6 | 55.2 | -89.1 | 0 | 0 | 0 | 110.2 | A442 P493 N496 V521 S551 G552 N553 N579 | A442-F523 HydrophobicContact CB-CB 3.88Å; P493-F523 HydrophobicContact CB-CB 4.1Å; P493-F523 HydrophobicContact CB-CD1 3.89Å; P493-F523 HydrophobicContact CB-CD2 3.96Å; P493-F523 HydrophobicContact CB-CE1 4.28Å; P493-F523 HydrophobicContact CB-CE2 4.33Å; P493-F523 HydrophobicContact CB-CG 3.73Å; P493-F523 HydrophobicContact CB-CZ 4.5Å; P493-F523 HydrophobicContact CG-CB 3.88Å; P493-F523 HydrophobicContact CG-CD2 4.42Å; P493-F523 HydrophobicContact CG-CG 4.08Å; N496-F523 HydrophobicContact CB-CD1 4.44Å; N496-F523 HydrophobicContact CB-CE1 3.77Å; V521-F523 WeakPolarHBondContact O-CD1 3.38Å; F523-S551 VanDerWaalsContact CE2-O 3.29Å; F523-S551 WeakPolarHBondContact CE2-O 3.47Å; F523-G552 WeakPolarHBondContact O-CA 3.44Å; F523-N553 HydrophobicContact CD1-CB 3.82Å; F523-N553 HydrophobicContact CE1-CB 3.49Å; F523-N553 VanDerWaalsContact CE1-CB 3.49Å; F523-N553 HydrophobicContact CG-CB 4.46Å; F523-N553 HydrophobicContact CZ-CB 3.89Å; F523-N553 PolarHBondContact N-O 2.98Å; F523-N553 PolarHBondContact O-N 3.49Å; F523-N579 HydrophobicContact CE1-CB 4.05Å; F523-N579 HydrophobicContact CE2-CB 4.1Å; F523-N579 HydrophobicContact CZ-CB 3.5Å |
| 524 | P | 88.8 | Confident | 87.8 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | trans | -76.6 | 162.2 | 175.1 | 32 | -28.5 | 0 | 0 | 0 | 110.6 | Q612 | P524-Q612 HydrophobicContact CB-CB 4.32Å; P524-Q612 HydrophobicContact CG-CB 4.28Å; P524-Q612 VanDerWaalsContact CG-OE1 3.28Å | ||
| 525 | P | 87.7 | Confident | 87.4 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | trans | -66 | 145.3 | 168.9 | 31.5 | -34.4 | 0 | 0 | 0 | 110.2 | S551 P556 A605 I614 | P525-S551 WeakPolarHBondContact CA-O 3.41Å; P525-P556 HydrophobicContact CB-CG 3.94Å; P525-P556 HydrophobicContact CG-CB 3.95Å; P525-P556 HydrophobicContact CG-CG 3.75Å; P525-A605 HydrophobicContact CG-CB 4.09Å; P525-I614 HydrophobicContact CB-CD1 4.06Å; P525-I614 HydrophobicContact CG-CD1 3.86Å; P525-I614 HydrophobicContact CG-CG1 4.19Å; P525-I614 WeakPolarHBondContact O-CD1 3.38Å | ||
| 526 | E | 85.9 | Confident | 87.3 | Confident | 191 Ų | 191 | 58.3 Ų | 58.3 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -90 | -23.6 | -179.9 | -172.3 | 171.4 | -166.8 | 0 | 0 | 112.9 | ||
| 527 | S | 85.7 | Confident | 87.5 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | trans | -138.9 | 152.6 | -178.2 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | G550 I614 | S527-G550 PolarHBondContact O-N 2.87Å; S527-I614 WeakPolarHBondContact O-CD1 3.49Å | ||
| 528 | V | 92.4 | Very high | 87.8 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.3 | 171.7 | 54.6 | 0 | 0 | 0 | 0 | 107.3 | C547 E548 I614 E616 | V528-C547 WeakPolarHBondContact CG2-SG 3.46Å; V528-E548 WeakPolarHBondContact CA-O 3.4Å; V528-I614 HydrophobicContact CB-CD1 3.86Å; V528-I614 HydrophobicContact CB-CG1 4.08Å; V528-I614 HydrophobicContact CG1-CB 4.01Å; V528-I614 HydrophobicContact CG1-CD1 3.79Å; V528-I614 HydrophobicContact CG1-CG1 3.71Å; V528-E616 HydrophobicContact CG1-CB 3.97Å; V528-E616 HydrophobicContact CG2-CB 4.19Å |
| 529 | S | 90.5 | Very high | 88.1 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.4 | -178.8 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | C547 E548 | S529-C547 CarbonylContact O-C 3.56Å; S529-C547 VanDerWaalsContact O-CA 3.3Å; S529-C547 WeakPolarHBondContact O-CA 3.3Å; S529-E548 PolarHBondContact N-O 2.82Å; S529-E548 PolarHBondContact O-N 2.96Å; S529-E548 PolarHBondContact OG-O 3.08Å |
| 530 | V | 93.3 | Very high | 88.2 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | 179.4 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | I546 C547 W560 C603 E616 V618 | V530-I546 CarbonylContact C-O 3.52Å; V530-I546 WeakPolarHBondContact CA-O 3.47Å; V530-C547 HydrophobicContact CG2-CB 4.02Å; V530-W560 HydrophobicContact CG1-CH2 3.85Å; V530-W560 HydrophobicContact CG1-CZ3 4.13Å; V530-W560 HydrophobicContact CG2-CH2 4.12Å; V530-W560 HydrophobicContact CG2-CZ3 4.27Å; V530-C603 HydrophobicContact CG2-CB 3.59Å; V530-E616 HydrophobicContact CB-CG 4.27Å; V530-E616 HydrophobicContact CG2-CB 3.97Å; V530-E616 HydrophobicContact CG2-CG 4.01Å; V530-V618 HydrophobicContact CB-CB 4.38Å; V530-V618 HydrophobicContact CB-CG1 4.42Å; V530-V618 HydrophobicContact CG1-CB 3.97Å; V530-V618 HydrophobicContact CG1-CG1 3.59Å |
| 531 | H | 92.2 | Very high | 88.5 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.4 | 178.7 | -56.9 | 83.6 | 0 | 0 | 0 | 110.2 | I546 | H531-I546 HydrophobicContact CB-CB 4.42Å; H531-I546 PolarHBondContact N-O 3.12Å; H531-I546 PolarHBondContact O-N 2.91Å |
| 532 | V | 93.2 | Very high | 88.7 | Confident | 38 Ų | 38 | 65 Ų | 65 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.4 | -178.3 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | L537 L545 V618 L620 | V532-L537 HydrophobicContact CG1-CD1 4.09Å; V532-L537 HydrophobicContact CG1-CD2 4.1Å; V532-L537 HydrophobicContact CG1-CG 4.48Å; V532-L545 HydrophobicContact CB-CD2 4.24Å; V532-L545 HydrophobicContact CG1-CD2 3.89Å; V532-L545 HydrophobicContact CG2-CD2 3.74Å; V532-V618 HydrophobicContact CG2-CG2 3.66Å; V532-L620 HydrophobicContact CG1-CD2 4.5Å; V532-L620 HydrophobicContact CG2-CD2 4.35Å |
| 533 | K | 88.1 | Confident | 88.8 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.7 | 170 | -65.7 | -170.6 | 177 | -169.6 | 0 | 111.1 | A543 Q544 I546 | K533-A543 WeakPolarHBondContact O-CA 3.34Å; K533-Q544 HydrophobicContact CB-CB 4.39Å; K533-Q544 PolarHBondContact N-O 3.34Å; K533-Q544 PolarHBondContact O-N 3.41Å; K533-I546 HydrophobicContact CD-CD1 4.11Å; K533-I546 HydrophobicContact CG-CD1 4.47Å |
| 534 | P | 89.6 | Confident | 89.1 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | S | Bend | cis | -67.2 | 173.2 | -12 | 30.7 | -35.6 | 0 | 0 | 0 | 112.3 | V536 L537 | P534-V536 VanDerWaalsContact C-N 3.3Å; P534-V536 WeakPolarHBondContact CG-O 3.42Å; P534-V536 PolarHBondContact O-N 2.95Å; P534-L537 HydrophobicContact CG-CD2 4.19Å; P534-L537 VanDerWaalsContact O-CD2 3.24Å; P534-L537 WeakPolarHBondContact O-CD2 3.44Å |
| 535 | N | 80.3 | Confident | 89.4 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 83% | 0.829 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -72.6 | -21.1 | -179.2 | -65.5 | 17.9 | 0 | 0 | 0 | 113.6 | ||
| 536 | V | 85.1 | Confident | 89.7 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -119.3 | 118.1 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | P534 | P534-V536 VanDerWaalsContact C-N 3.3Å; P534-V536 WeakPolarHBondContact CG-O 3.42Å; P534-V536 PolarHBondContact O-N 2.95Å |
| 537 | L | 90.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.5 | -176.5 | -55.6 | -174.3 | 0 | 0 | 0 | 110.4 | V532 P534 A543 L592 L620 V622 R623 | V532-L537 HydrophobicContact CG1-CD1 4.09Å; V532-L537 HydrophobicContact CG1-CD2 4.1Å; V532-L537 HydrophobicContact CG1-CG 4.48Å; P534-L537 HydrophobicContact CG-CD2 4.19Å; P534-L537 VanDerWaalsContact O-CD2 3.24Å; P534-L537 WeakPolarHBondContact O-CD2 3.44Å; L537-A543 HydrophobicContact CD1-CB 4.26Å; L537-A543 HydrophobicContact CD2-CB 3.96Å; L537-L592 HydrophobicContact CB-CD1 3.71Å; L537-L592 HydrophobicContact CD1-CD1 4.31Å; L537-L592 HydrophobicContact CD1-CD2 4.39Å; L537-L592 HydrophobicContact CD2-CD1 4.1Å; L537-L592 HydrophobicContact CG-CD1 4.25Å; L537-L620 HydrophobicContact CD1-CB 4.08Å; L537-L620 HydrophobicContact CD1-CD1 4.45Å; L537-L620 HydrophobicContact CD1-CD2 4.24Å; L537-L620 HydrophobicContact CD1-CG 4.48Å; L537-V622 HydrophobicContact CB-CG2 4.26Å; L537-V622 HydrophobicContact CD1-CG2 4.33Å; L537-R623 PolarHBondContact O-N 2.85Å |
| 538 | R | 90.9 | Very high | 90.5 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.2 | 172 | -59.4 | -172.5 | -180 | 81.2 | -1.4 | 110.4 | G540 D541 L592 R623 E708 | R538-G540 PolarHBondContact O-N 2.98Å; R538-D541 WeakPolarHBondContact O-CB 3.41Å; R538-D541 PolarHBondContact O-N 2.8Å; R538-D541 VanDerWaalsContact O-N 3.14Å; R538-L592 WeakPolarHBondContact O-CD1 3.48Å; R538-R623 WeakPolarHBondContact CA-O 3.38Å; R538-R623 HydrophobicContact CG-CB 4.36Å; R538-E708 IonicContact NE-OE2 3.67Å |
| 539 | A | 88.1 | Confident | 90.5 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 130 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | L592 V622 R623 | A539-L592 CarbonylContact C-O 3.56Å; A539-L592 WeakPolarHBondContact CA-O 3.27Å; A539-V622 HydrophobicContact CB-CG1 4.33Å; A539-R623 PolarHBondContact N-O 3.3Å |
| 540 | G | 84.3 | Confident | 90.4 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 73% | 0.732 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -21.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R538 L592 | R538-G540 PolarHBondContact O-N 2.98Å; G540-L592 PolarHBondContact N-O 3.12Å |
| 541 | D | 90.1 | Very high | 90.1 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -77.9 | 170.8 | 173.2 | -71 | -31.3 | 0 | 0 | 0 | 111.5 | R538 L592 | R538-D541 WeakPolarHBondContact O-CB 3.41Å; R538-D541 PolarHBondContact O-N 2.8Å; R538-D541 VanDerWaalsContact O-N 3.14Å; D541-L592 HydrophobicContact CB-CD1 4.05Å; D541-L592 WeakPolarHBondContact O-CB 3.12Å; D541-L592 WeakPolarHBondContact O-CG 3.45Å; D541-L592 PolarHBondContact O-N 3.26Å |
| 542 | I | 89.6 | Confident | 89.9 | Confident | 108 Ų | 108 | 48.2 Ų | 48.2 | 55% | 0.554 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.1 | 171 | -59.6 | 171.4 | 0 | 0 | 0 | 108.8 | Y589 V590 | I542-Y589 HydrophobicContact CG2-CD1 4.42Å; I542-V590 CarbonylContact C-O 3.56Å; I542-V590 WeakPolarHBondContact CA-O 3.43Å |
| 543 | A | 91.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 139.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K533 L537 Y589 V590 L592 | K533-A543 WeakPolarHBondContact O-CA 3.34Å; L537-A543 HydrophobicContact CD1-CB 4.26Å; L537-A543 HydrophobicContact CD2-CB 3.96Å; A543-Y589 CarbonylContact O-C 3.59Å; A543-Y589 WeakPolarHBondContact O-CA 3.39Å; A543-V590 HydrophobicContact CB-CB 4.46Å; A543-V590 PolarHBondContact N-O 3.49Å; A543-V590 PolarHBondContact O-N 3.01Å; A543-L592 HydrophobicContact CB-CD1 4.09Å; A543-L592 HydrophobicContact CB-CD2 3.88Å; A543-L592 HydrophobicContact CB-CG 4.16Å |
| 544 | Q | 93.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 112.9 | 167.9 | -179.3 | -178.1 | 62.5 | 0 | 0 | 108.9 | K533 I546 L588 Y589 | K533-Q544 HydrophobicContact CB-CB 4.39Å; K533-Q544 PolarHBondContact N-O 3.34Å; K533-Q544 PolarHBondContact O-N 3.41Å; Q544-I546 HydrophobicContact CG-CD1 4.33Å; Q544-I546 HydrophobicContact CG-CG1 3.85Å; Q544-L588 WeakPolarHBondContact CA-O 3.46Å; Q544-Y589 HydrophobicContact CB-CD1 4.11Å; Q544-Y589 HydrophobicContact CB-CE1 4.04Å; Q544-Y589 HydrophobicContact CG-CD1 4.22Å; Q544-Y589 HydrophobicContact CG-CE1 3.8Å; Q544-Y589 VanDerWaalsContact NE2-CE1 3.32Å; Q544-Y589 PolarHBondContact NE2-OH 2.84Å |
| 545 | L | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.3 | 171.8 | -50.2 | -178.7 | 0 | 0 | 0 | 108.6 | V532 W560 K587 L588 V590 Y601 V618 L620 | V532-L545 HydrophobicContact CB-CD2 4.24Å; V532-L545 HydrophobicContact CG1-CD2 3.89Å; V532-L545 HydrophobicContact CG2-CD2 3.74Å; L545-W560 HydrophobicContact CB-CH2 3.5Å; L545-W560 VanDerWaalsContact CB-CH2 3.5Å; L545-W560 HydrophobicContact CB-CZ2 4.14Å; L545-W560 HydrophobicContact CB-CZ3 3.9Å; L545-W560 HydrophobicContact CD1-CZ3 4.15Å; L545-K587 WeakPolarHBondContact O-CA 3.05Å; L545-L588 HydrophobicContact CB-CB 4.36Å; L545-L588 HydrophobicContact CD1-CD2 4.3Å; L545-L588 PolarHBondContact N-O 2.87Å; L545-L588 PolarHBondContact O-N 2.85Å; L545-V590 HydrophobicContact CD1-CG2 3.84Å; L545-V590 HydrophobicContact CG-CG2 4.22Å; L545-Y601 HydrophobicContact CD1-CD1 3.85Å; L545-Y601 HydrophobicContact CD1-CD2 4.09Å; L545-Y601 HydrophobicContact CD1-CE1 4.49Å; L545-Y601 HydrophobicContact CD1-CG 3.63Å; L545-V618 HydrophobicContact CD1-CG1 4.41Å; L545-V618 HydrophobicContact CD2-CG1 4.4Å; L545-L620 HydrophobicContact CD2-CD2 3.71Å |
| 546 | I | 94.7 | Very high | 89.8 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 105.2 | -175.8 | -53.4 | 179.7 | 0 | 0 | 0 | 107.9 | V530 H531 K533 Q544 E548 K585 S586 | V530-I546 CarbonylContact C-O 3.52Å; V530-I546 WeakPolarHBondContact CA-O 3.47Å; H531-I546 HydrophobicContact CB-CB 4.42Å; H531-I546 PolarHBondContact N-O 3.12Å; H531-I546 PolarHBondContact O-N 2.91Å; K533-I546 HydrophobicContact CD-CD1 4.11Å; K533-I546 HydrophobicContact CG-CD1 4.47Å; Q544-I546 HydrophobicContact CG-CD1 4.33Å; Q544-I546 HydrophobicContact CG-CG1 3.85Å; I546-E548 HydrophobicContact CG2-CG 4.27Å; I546-K585 HydrophobicContact CG2-CD 4.35Å; I546-K585 HydrophobicContact CG2-CG 4.12Å; I546-S586 WeakPolarHBondContact CA-O 3.06Å |
| 547 | C | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.7 | 174.2 | -176 | 0 | 0 | 0 | 0 | 110.5 | V528 S529 V530 W560 K585 S586 C603 | V528-C547 WeakPolarHBondContact CG2-SG 3.46Å; S529-C547 CarbonylContact O-C 3.56Å; S529-C547 VanDerWaalsContact O-CA 3.3Å; S529-C547 WeakPolarHBondContact O-CA 3.3Å; V530-C547 HydrophobicContact CG2-CB 4.02Å; C547-W560 HydrophobicContact CB-CH2 3.61Å; C547-W560 HydrophobicContact CB-CZ2 3.33Å; C547-K585 CarbonylContact O-C 3.52Å; C547-K585 VanDerWaalsContact O-CA 3.27Å; C547-K585 WeakPolarHBondContact O-CA 3.49Å; C547-S586 PolarHBondContact N-O 2.86Å; C547-S586 PolarHBondContact O-N 3.4Å; C547-C603 HydrophobicContact CB-CB 3.66Å; C547-C603 WeakPolarHBondContact CB-SG 3.45Å; C547-C603 WeakPolarHBondContact SG-CB 3.33Å; C547-C603 CovalentContact SG-SG 2.02Å; C547-C603 PolarHBondContact SG-SG 2.96Å |
| 548 | E | 93.6 | Very high | 90 | Very high | 70 Ų | 70 | 33.6 Ų | 33.6 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.8 | 177.2 | -67.5 | -176.6 | -147.8 | 0 | 0 | 109.8 | V528 S529 I546 K585 | V528-E548 WeakPolarHBondContact CA-O 3.4Å; S529-E548 PolarHBondContact N-O 2.82Å; S529-E548 PolarHBondContact O-N 2.96Å; S529-E548 PolarHBondContact OG-O 3.08Å; I546-E548 HydrophobicContact CG2-CG 4.27Å; E548-K585 HydrophobicContact CG-CB 4.21Å; E548-K585 HydrophobicContact CG-CD 3.87Å; E548-K585 HydrophobicContact CG-CG 3.81Å; E548-K585 WeakPolarHBondContact OE1-CE 3.37Å; E548-K585 IonicContact OE1-NZ 3.57Å; E548-K585 PolarHBondContact OE1-NZ 2.94Å; E548-K585 IonicContact OE2-NZ 2.58Å |
| 549 | S | 92.4 | Very high | 90 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 147.2 | 174.2 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | T583 V584 | S549-T583 WeakPolarHBondContact O-CB 3.47Å; S549-T583 WeakPolarHBondContact O-CG2 3.42Å; S549-V584 PolarHBondContact N-O 2.56Å; S549-V584 WeakPolarHBondContact OG-CA 3.36Å; S549-V584 PolarHBondContact OG-N 2.87Å; S549-V584 PolarHBondContact OG-O 3.02Å |
| 550 | G | 87.8 | Confident | 90.3 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | trans | -64.4 | 179.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S527 G552 | S527-G550 PolarHBondContact O-N 2.87Å; G550-G552 PolarHBondContact O-N 3.21Å | ||
| 551 | S | 88.8 | Confident | 90.6 | Very high | 16 Ų | 16 | 27.9 Ų | 27.9 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | trans | -70 | 124.7 | -176.7 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | F523 P525 S576 T578 G581 W582 | F523-S551 VanDerWaalsContact CE2-O 3.29Å; F523-S551 WeakPolarHBondContact CE2-O 3.47Å; P525-S551 WeakPolarHBondContact CA-O 3.41Å; S551-S576 WeakPolarHBondContact CB-OG 3.41Å; S551-S576 VanDerWaalsContact OG-CB 3.22Å; S551-S576 WeakPolarHBondContact OG-CB 3.25Å; S551-S576 PolarHBondContact OG-OG 3.33Å; S551-T578 WeakPolarHBondContact CB-OG1 3.46Å; S551-T578 PolarHBondContact OG-O 2.85Å; S551-T578 PolarHBondContact OG-OG1 2.8Å; S551-G581 VanDerWaalsContact OG-CA 3.28Å; S551-G581 WeakPolarHBondContact OG-CA 3.37Å; S551-W582 WeakPolarHBondContact CA-O 3.3Å | ||
| 552 | G | 87.3 | Confident | 90.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -129.3 | 159.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F523 G550 P554 G581 W582 | F523-G552 WeakPolarHBondContact O-CA 3.44Å; G550-G552 PolarHBondContact O-N 3.21Å; G552-P554 CarbonylContact C-O 3.52Å; G552-P554 VanDerWaalsContact C-O 3.23Å; G552-G581 CarbonylContact O-C 3.5Å; G552-G581 WeakPolarHBondContact O-CA 3.29Å; G552-W582 PolarHBondContact N-O 3.47Å; G552-W582 PolarHBondContact O-N 2.89Å |
| 553 | N | 86.7 | Confident | 90 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -134.8 | 124.8 | 170.4 | -170.5 | 44.3 | 0 | 0 | 0 | 110.6 | N496 V521 H522 F523 | N496-N553 PolarHBondContact ND2-ND2 3.11Å; N496-N553 PolarHBondContact OD1-ND2 3.47Å; V521-N553 PolarHBondContact O-ND2 2.6Å; H522-N553 CarbonylContact C-O 3.58Å; H522-N553 WeakPolarHBondContact CA-O 3.16Å; H522-N553 WeakPolarHBondContact CB-O 3.14Å; F523-N553 HydrophobicContact CD1-CB 3.82Å; F523-N553 HydrophobicContact CE1-CB 3.49Å; F523-N553 VanDerWaalsContact CE1-CB 3.49Å; F523-N553 HydrophobicContact CG-CB 4.46Å; F523-N553 HydrophobicContact CZ-CB 3.89Å; F523-N553 PolarHBondContact N-O 2.98Å; F523-N553 PolarHBondContact O-N 3.49Å |
| 554 | P | 86.6 | Confident | 89.3 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 20% | 0.201 | 19% | 0.192 | C | C | . | . | S | Bend | cis | -62.2 | -175.6 | -10.2 | 35.4 | -41.7 | 0 | 0 | 0 | 111.1 | G552 P608 F609 | G552-P554 CarbonylContact C-O 3.52Å; G552-P554 VanDerWaalsContact C-O 3.23Å; P554-P608 HydrophobicContact CG-CB 4.24Å; P554-P608 HydrophobicContact CG-CG 3.82Å; P554-F609 HydrophobicContact CG-CD2 3.74Å; P554-F609 HydrophobicContact CG-CE2 3.65Å |
| 555 | A | 86.3 | Confident | 88.9 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 131.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V557 W582 V584 | A555-V557 PolarHBondContact O-N 3.39Å; A555-W582 HydrophobicContact CB-CB 3.74Å; A555-W582 HydrophobicContact CB-CG 3.96Å; A555-V584 HydrophobicContact CB-CG2 4.01Å |
| 556 | P | 89.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 134.3 | 176.6 | -24 | 32.9 | 0 | 0 | 0 | 112 | P525 V584 A605 S606 | P525-P556 HydrophobicContact CB-CG 3.94Å; P525-P556 HydrophobicContact CG-CB 3.95Å; P525-P556 HydrophobicContact CG-CG 3.75Å; P556-V584 WeakPolarHBondContact O-CG2 3.06Å; P556-A605 HydrophobicContact CB-CB 4.43Å; P556-S606 CarbonylContact C-O 3.57Å; P556-S606 VanDerWaalsContact CA-O 3.3Å; P556-S606 WeakPolarHBondContact CA-O 3.42Å |
| 557 | V | 88.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.7 | 172 | 178.2 | 0 | 0 | 0 | 0 | 108 | A555 T559 A605 S606 P608 | A555-V557 PolarHBondContact O-N 3.39Å; V557-T559 HydrophobicContact CG1-CG2 4.45Å; V557-A605 WeakPolarHBondContact O-CA 3.47Å; V557-S606 PolarHBondContact N-O 3.26Å; V557-S606 PolarHBondContact O-N 2.94Å; V557-S606 PolarHBondContact O-OG 2.81Å; V557-P608 HydrophobicContact CG2-CG 3.97Å |
| 558 | I | 90.8 | Very high | 87.6 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.6 | 177.6 | -52.9 | -58.3 | 0 | 0 | 0 | 109.5 | V584 S586 C603 R604 A605 | I558-V584 HydrophobicContact CD1-CB 4.43Å; I558-V584 HydrophobicContact CG1-CB 3.95Å; I558-V584 HydrophobicContact CG1-CG1 3.59Å; I558-S586 VanDerWaalsContact CG2-CB 3.46Å; I558-C603 WeakPolarHBondContact CG2-SG 3.13Å; I558-R604 CarbonylContact C-O 3.57Å; I558-R604 WeakPolarHBondContact CA-O 3.17Å; I558-A605 HydrophobicContact CD1-CB 3.55Å |
| 559 | T | 90.9 | Very high | 87.3 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.1 | 172.5 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | V557 W561 R604 | V557-T559 HydrophobicContact CG1-CG2 4.45Å; T559-W561 PolarHBondContact OG1-NE1 2.86Å; T559-R604 PolarHBondContact N-O 3.32Å; T559-R604 PolarHBondContact O-N 3.46Å; T559-R604 WeakPolarHBondContact OG1-CB 3.36Å; T559-R604 PolarHBondContact OG1-O 2.99Å |
| 560 | W | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 148.2 | 175.3 | -70.8 | 93.5 | 0 | 0 | 0 | 110.3 | V530 L545 C547 T566 L567 S586 L588 T602 C603 | V530-W560 HydrophobicContact CG1-CH2 3.85Å; V530-W560 HydrophobicContact CG1-CZ3 4.13Å; V530-W560 HydrophobicContact CG2-CH2 4.12Å; V530-W560 HydrophobicContact CG2-CZ3 4.27Å; L545-W560 HydrophobicContact CB-CH2 3.5Å; L545-W560 VanDerWaalsContact CB-CH2 3.5Å; L545-W560 HydrophobicContact CB-CZ2 4.14Å; L545-W560 HydrophobicContact CB-CZ3 3.9Å; L545-W560 HydrophobicContact CD1-CZ3 4.15Å; C547-W560 HydrophobicContact CB-CH2 3.61Å; C547-W560 HydrophobicContact CB-CZ2 3.33Å; W560-T566 CarbonylContact O-C 3.49Å; W560-T566 WeakPolarHBondContact O-CA 3.28Å; W560-L567 HydrophobicContact CB-CB 3.9Å; W560-L567 PolarHBondContact N-O 2.82Å; W560-L567 PolarHBondContact O-N 2.96Å; W560-S586 PolarHBondContact NE1-OG 2.82Å; W560-L588 HydrophobicContact CB-CD2 3.87Å; W560-L588 HydrophobicContact CD2-CB 3.95Å; W560-L588 HydrophobicContact CD2-CD2 3.8Å; W560-L588 HydrophobicContact CE3-CD2 3.98Å; W560-L588 HydrophobicContact CG-CB 4.14Å; W560-L588 HydrophobicContact CG-CD2 3.79Å; W560-L588 HydrophobicContact CG-CG 4.48Å; W560-L588 HydrophobicContact CZ2-CB 4.09Å; W560-T602 CarbonylContact C-O 3.55Å; W560-T602 WeakPolarHBondContact CA-O 3.15Å; W560-C603 HydrophobicContact CD2-CB 4.39Å; W560-C603 HydrophobicContact CE3-CB 4Å; W560-C603 HydrophobicContact CH2-CB 4.15Å; W560-C603 HydrophobicContact CZ3-CB 3.86Å |
| 561 | W | 91.4 | Very high | 87.3 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 27% | 0.269 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 135.3 | -178.9 | -58.9 | 68 | 0 | 0 | 0 | 111.1 | T559 G564 D565 T566 Y601 T602 | T559-W561 PolarHBondContact OG1-NE1 2.86Å; W561-G564 VanDerWaalsContact CE3-O 3.28Å; W561-G564 WeakPolarHBondContact CZ3-O 3.46Å; W561-D565 CarbonylContact C-O 3.14Å; W561-D565 VanDerWaalsContact CA-O 3.23Å; W561-D565 WeakPolarHBondContact CA-O 3.33Å; W561-T566 HydrophobicContact CD2-CG2 3.91Å; W561-T566 HydrophobicContact CE3-CG2 3.87Å; W561-T566 HydrophobicContact CH2-CG2 3.57Å; W561-T566 HydrophobicContact CZ2-CG2 3.6Å; W561-T566 HydrophobicContact CZ3-CG2 3.71Å; W561-Y601 WeakPolarHBondContact O-CA 3.22Å; W561-T602 PolarHBondContact N-O 2.57Å; W561-T602 PolarHBondContact O-N 2.88Å |
| 562 | K | 90 | Very high | 87.3 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.7 | 169.5 | -176 | -167.8 | -176 | -174.7 | 0 | 108 | G564 D565 L567 E596 Y601 | K562-G564 PolarHBondContact O-N 2.91Å; K562-D565 PolarHBondContact N-O 2.88Å; K562-D565 PolarHBondContact O-N 3.39Å; K562-L567 HydrophobicContact CB-CD1 3.89Å; K562-E596 IonicContact NZ-OE1 3.11Å; K562-E596 PolarHBondContact NZ-OE1 2.88Å; K562-Y601 HydrophobicContact CB-CD1 4.32Å; K562-Y601 HydrophobicContact CB-CE1 4.05Å; K562-Y601 HydrophobicContact CD-CE1 4.19Å; K562-Y601 HydrophobicContact CG-CE1 4.2Å |
| 563 | G | 76 | Confident | 87.3 | Confident | 90 Ų | 90 | 59.1 Ų | 59.1 | 93% | 0.928 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 4.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 564 | G | 77.6 | Confident | 87.3 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 115 | -19.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W561 K562 | W561-G564 VanDerWaalsContact CE3-O 3.28Å; W561-G564 WeakPolarHBondContact CZ3-O 3.46Å; K562-G564 PolarHBondContact O-N 2.91Å |
| 565 | D | 84.6 | Confident | 87 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 66% | 0.663 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 140.1 | 176.1 | -65.2 | -47 | 0 | 0 | 0 | 111.9 | W561 K562 | W561-D565 CarbonylContact C-O 3.14Å; W561-D565 VanDerWaalsContact CA-O 3.23Å; W561-D565 WeakPolarHBondContact CA-O 3.33Å; K562-D565 PolarHBondContact N-O 2.88Å; K562-D565 PolarHBondContact O-N 3.39Å |
| 566 | T | 86.2 | Confident | 86.7 | Confident | 95 Ų | 95 | 69.5 Ų | 69.5 | 58% | 0.583 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | W560 W561 | W560-T566 CarbonylContact O-C 3.49Å; W560-T566 WeakPolarHBondContact O-CA 3.28Å; W561-T566 HydrophobicContact CD2-CG2 3.91Å; W561-T566 HydrophobicContact CE3-CG2 3.87Å; W561-T566 HydrophobicContact CH2-CG2 3.57Å; W561-T566 HydrophobicContact CZ2-CG2 3.6Å; W561-T566 HydrophobicContact CZ3-CG2 3.71Å |
| 567 | L | 88.5 | Confident | 85.8 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 31% | 0.314 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147.1 | 177.7 | -57.7 | 174.9 | 0 | 0 | 0 | 110.6 | W560 K562 L588 Y601 | W560-L567 HydrophobicContact CB-CB 3.9Å; W560-L567 PolarHBondContact N-O 2.82Å; W560-L567 PolarHBondContact O-N 2.96Å; K562-L567 HydrophobicContact CB-CD1 3.89Å; L567-L588 HydrophobicContact CB-CD1 4.38Å; L567-L588 HydrophobicContact CB-CD2 4.41Å; L567-L588 HydrophobicContact CD1-CD2 3.96Å; L567-Y601 HydrophobicContact CD1-CD1 4.11Å; L567-Y601 HydrophobicContact CD1-CE1 3.77Å |
| 568 | T | 80.9 | Confident | 85.1 | Confident | 136 Ų | 136 | 75.6 Ų | 75.6 | 83% | 0.834 | 45% | 0.446 | S | S | * | . | trans | -97.5 | 123.5 | 178.9 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 569 | G | 86.9 | Confident | 84.5 | Confident | 28 Ų | 28 | 78.1 Ų | 78.1 | 29% | 0.289 | 46% | 0.46 | S | S | . | . | trans | -97 | 172.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | K587 | G569-K587 WeakPolarHBondContact CA-O 3.48Š| ||
| 570 | M | 91.4 | Very high | 83.8 | Confident | 113 Ų | 113 | 77 Ų | 77 | 56% | 0.557 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 109.9 | 167.1 | 173.8 | -172.7 | -79.9 | 0 | 0 | 109.6 | S586 K587 | M570-S586 CarbonylContact O-C 3.49Å; M570-S586 WeakPolarHBondContact O-CA 3.41Å; M570-K587 HydrophobicContact CB-CB 4.46Å; M570-K587 PolarHBondContact N-O 3.17Å; M570-K587 PolarHBondContact O-N 2.89Å |
| 571 | D | 90 | Very high | 83.4 | Confident | 62 Ų | 62 | 77 Ų | 77 | 33% | 0.332 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.8 | -174.2 | -68.7 | -6.4 | 0 | 0 | 0 | 113.2 | V584 S586 | D571-V584 HydrophobicContact CB-CG1 4.17Å; D571-S586 WeakPolarHBondContact OD1-CB 3.44Å; D571-S586 PolarHBondContact OD1-OG 3.02Å |
| 572 | I | 89.3 | Confident | 83.3 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.6 | -179.8 | -54.1 | 173.5 | 0 | 0 | 0 | 108.8 | V584 K585 K587 | I572-V584 WeakPolarHBondContact O-CA 3.22Å; I572-K585 HydrophobicContact CB-CB 4.45Å; I572-K585 PolarHBondContact N-O 3.49Å; I572-K585 PolarHBondContact O-N 3.21Å; I572-K587 HydrophobicContact CD1-CD 4.49Å |
| 573 | H | 86.8 | Confident | 83.3 | Confident | 100 Ų | 100 | 76.3 Ų | 76.3 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 113.2 | -172.1 | -67.6 | 69.9 | 0 | 0 | 0 | 111.5 | ||
| 574 | N | 86 | Confident | 84 | Confident | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.7 | 179.7 | -73.4 | 7.9 | 0 | 0 | 0 | 111.4 | S576 W582 T583 | N574-S576 PolarHBondContact O-N 3.37Å; N574-W582 CarbonylContact O-C 3.59Å; N574-W582 VanDerWaalsContact O-CA 3.28Å; N574-W582 WeakPolarHBondContact O-CA 3.28Å; N574-T583 PolarHBondContact N-O 2.82Å; N574-T583 PolarHBondContact O-N 2.75Å |
| 575 | K | 81.7 | Confident | 84.7 | Confident | 171 Ų | 171 | 72.7 Ų | 72.7 | 74% | 0.743 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 127.7 | 172 | -69.3 | 179.1 | -179.8 | 174.6 | 0 | 109.5 | W582 | K575-W582 HydrophobicContact CD-CH2 4.38Å; K575-W582 HydrophobicContact CD-CZ3 4.42Å; K575-W582 HydrophobicContact CG-CE3 3.83Å; K575-W582 HydrophobicContact CG-CH2 3.76Å; K575-W582 HydrophobicContact CG-CZ2 4.42Å; K575-W582 HydrophobicContact CG-CZ3 3.43Å; K575-W582 VanDerWaalsContact CG-CZ3 3.43Å |
| 576 | S | 79.9 | Confident | 85.1 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | trans | -81.6 | 144.6 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 111.4 | S551 N574 T578 G581 | S551-S576 WeakPolarHBondContact CB-OG 3.41Å; S551-S576 VanDerWaalsContact OG-CB 3.22Å; S551-S576 WeakPolarHBondContact OG-CB 3.25Å; S551-S576 PolarHBondContact OG-OG 3.33Å; N574-S576 PolarHBondContact O-N 3.37Å; S576-T578 PolarHBondContact OG-N 2.81Å; S576-T578 VanDerWaalsContact OG-N 3.16Å; S576-T578 PolarHBondContact OG-OG1 2.84Å; S576-G581 WeakPolarHBondContact CB-O 3.48Å; S576-G581 PolarHBondContact N-O 3.16Å | ||
| 577 | S | 70.8 | Confident | 85.5 | Confident | 125 Ų | 125 | 64.9 Ų | 64.9 | 87% | 0.874 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -70 | -23.6 | 164.6 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 578 | T | 73.1 | Confident | 85.8 | Confident | 72 Ų | 72 | 62.7 Ų | 62.7 | 44% | 0.442 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -91.1 | 127.3 | -177.1 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | S551 S576 G580 G581 | S551-T578 WeakPolarHBondContact CB-OG1 3.46Å; S551-T578 PolarHBondContact OG-O 2.85Å; S551-T578 PolarHBondContact OG-OG1 2.8Å; S576-T578 PolarHBondContact OG-N 2.81Å; S576-T578 VanDerWaalsContact OG-N 3.16Å; S576-T578 PolarHBondContact OG-OG1 2.84Å; T578-G580 PolarHBondContact O-N 2.98Å; T578-G581 PolarHBondContact O-N 2.91Å |
| 579 | N | 78.1 | Confident | 86.3 | Confident | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 18.3 | 174.8 | -59.1 | -28.8 | 0 | 0 | 0 | 115 | P493 S494 N496 F523 G581 | P493-N579 HydrophobicContact CB-CB 4.3Å; P493-N579 WeakPolarHBondContact CB-ND2 3.49Å; P493-N579 WeakPolarHBondContact O-CB 3.4Å; S494-N579 WeakPolarHBondContact CA-OD1 3.33Å; N496-N579 WeakPolarHBondContact CB-O 3.3Å; N496-N579 PolarHBondContact ND2-O 3.05Å; F523-N579 HydrophobicContact CE1-CB 4.05Å; F523-N579 HydrophobicContact CE2-CB 4.1Å; F523-N579 HydrophobicContact CZ-CB 3.5Å; N579-G581 PolarHBondContact O-N 3.33Å; N579-G581 VanDerWaalsContact O-N 3.07Å |
| 580 | G | 76.8 | Confident | 86.5 | Confident | 18 Ų | 18 | 61 Ų | 61 | 19% | 0.186 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 12.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R497 T578 | R497-G580 VanDerWaalsContact NH1-CA 3.25Å; R497-G580 PolarHBondContact NH1-O 2.83Å; R497-G580 PolarHBondContact NH2-O 3Å; T578-G580 PolarHBondContact O-N 2.98Å |
| 581 | G | 86.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -74.7 | -165.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S551 G552 S576 T578 N579 | S551-G581 VanDerWaalsContact OG-CA 3.28Å; S551-G581 WeakPolarHBondContact OG-CA 3.37Å; G552-G581 CarbonylContact O-C 3.5Å; G552-G581 WeakPolarHBondContact O-CA 3.29Å; S576-G581 WeakPolarHBondContact CB-O 3.48Å; S576-G581 PolarHBondContact N-O 3.16Å; T578-G581 PolarHBondContact O-N 2.91Å; N579-G581 PolarHBondContact O-N 3.33Å; N579-G581 VanDerWaalsContact O-N 3.07Å | ||
| 582 | W | 88.8 | Confident | 86.6 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 30% | 0.295 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.8 | 177.3 | -56.4 | 84.4 | 0 | 0 | 0 | 109.5 | S551 G552 A555 N574 K575 | S551-W582 WeakPolarHBondContact CA-O 3.3Å; G552-W582 PolarHBondContact N-O 3.47Å; G552-W582 PolarHBondContact O-N 2.89Å; A555-W582 HydrophobicContact CB-CB 3.74Å; A555-W582 HydrophobicContact CB-CG 3.96Å; N574-W582 CarbonylContact O-C 3.59Å; N574-W582 VanDerWaalsContact O-CA 3.28Å; N574-W582 WeakPolarHBondContact O-CA 3.28Å; K575-W582 HydrophobicContact CD-CH2 4.38Å; K575-W582 HydrophobicContact CD-CZ3 4.42Å; K575-W582 HydrophobicContact CG-CE3 3.83Å; K575-W582 HydrophobicContact CG-CH2 3.76Å; K575-W582 HydrophobicContact CG-CZ2 4.42Å; K575-W582 HydrophobicContact CG-CZ3 3.43Å; K575-W582 VanDerWaalsContact CG-CZ3 3.43Å |
| 583 | T | 89 | Confident | 86.5 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.5 | 166.9 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | S549 N574 | S549-T583 WeakPolarHBondContact O-CB 3.47Å; S549-T583 WeakPolarHBondContact O-CG2 3.42Å; N574-T583 PolarHBondContact N-O 2.82Å; N574-T583 PolarHBondContact O-N 2.75Å |
| 584 | V | 91 | Very high | 86.5 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.6 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | S549 A555 P556 I558 D571 I572 | S549-V584 PolarHBondContact N-O 2.56Å; S549-V584 WeakPolarHBondContact OG-CA 3.36Å; S549-V584 PolarHBondContact OG-N 2.87Å; S549-V584 PolarHBondContact OG-O 3.02Å; A555-V584 HydrophobicContact CB-CG2 4.01Å; P556-V584 WeakPolarHBondContact O-CG2 3.06Å; I558-V584 HydrophobicContact CD1-CB 4.43Å; I558-V584 HydrophobicContact CG1-CB 3.95Å; I558-V584 HydrophobicContact CG1-CG1 3.59Å; D571-V584 HydrophobicContact CB-CG1 4.17Å; I572-V584 WeakPolarHBondContact O-CA 3.22Å |
| 585 | K | 92.2 | Very high | 86.4 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108 | 179.9 | 178.4 | 163.4 | -173.7 | 154.7 | 0 | 109.3 | I546 C547 E548 I572 | I546-K585 HydrophobicContact CG2-CD 4.35Å; I546-K585 HydrophobicContact CG2-CG 4.12Å; C547-K585 CarbonylContact O-C 3.52Å; C547-K585 VanDerWaalsContact O-CA 3.27Å; C547-K585 WeakPolarHBondContact O-CA 3.49Å; E548-K585 HydrophobicContact CG-CB 4.21Å; E548-K585 HydrophobicContact CG-CD 3.87Å; E548-K585 HydrophobicContact CG-CG 3.81Å; E548-K585 WeakPolarHBondContact OE1-CE 3.37Å; E548-K585 IonicContact OE1-NZ 3.57Å; E548-K585 PolarHBondContact OE1-NZ 2.94Å; E548-K585 IonicContact OE2-NZ 2.58Å; I572-K585 HydrophobicContact CB-CB 4.45Å; I572-K585 PolarHBondContact N-O 3.49Å; I572-K585 PolarHBondContact O-N 3.21Å |
| 586 | S | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 136.8 | 179.5 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | I546 C547 I558 W560 M570 D571 | I546-S586 WeakPolarHBondContact CA-O 3.06Å; C547-S586 PolarHBondContact N-O 2.86Å; C547-S586 PolarHBondContact O-N 3.4Å; I558-S586 VanDerWaalsContact CG2-CB 3.46Å; W560-S586 PolarHBondContact NE1-OG 2.82Å; M570-S586 CarbonylContact O-C 3.49Å; M570-S586 WeakPolarHBondContact O-CA 3.41Å; D571-S586 WeakPolarHBondContact OD1-CB 3.44Å; D571-S586 PolarHBondContact OD1-OG 3.02Å |
| 587 | K | 94.2 | Very high | 87.1 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 24% | 0.235 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118 | 175.2 | -66 | 175.3 | 178.5 | 176.1 | 0 | 110.5 | L545 G569 M570 I572 Y589 | L545-K587 WeakPolarHBondContact O-CA 3.05Å; G569-K587 WeakPolarHBondContact CA-O 3.48Å; M570-K587 HydrophobicContact CB-CB 4.46Å; M570-K587 PolarHBondContact N-O 3.17Å; M570-K587 PolarHBondContact O-N 2.89Å; I572-K587 HydrophobicContact CD1-CD 4.49Å; K587-Y589 HydrophobicContact CB-CE2 4.45Å |
| 588 | L | 94.4 | Very high | 87.8 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.5 | 170.3 | 177.9 | 64.3 | 0 | 0 | 0 | 109.2 | Q544 L545 W560 L567 V590 Y601 | Q544-L588 WeakPolarHBondContact CA-O 3.46Å; L545-L588 HydrophobicContact CB-CB 4.36Å; L545-L588 HydrophobicContact CD1-CD2 4.3Å; L545-L588 PolarHBondContact N-O 2.87Å; L545-L588 PolarHBondContact O-N 2.85Å; W560-L588 HydrophobicContact CB-CD2 3.87Å; W560-L588 HydrophobicContact CD2-CB 3.95Å; W560-L588 HydrophobicContact CD2-CD2 3.8Å; W560-L588 HydrophobicContact CE3-CD2 3.98Å; W560-L588 HydrophobicContact CG-CB 4.14Å; W560-L588 HydrophobicContact CG-CD2 3.79Å; W560-L588 HydrophobicContact CG-CG 4.48Å; W560-L588 HydrophobicContact CZ2-CB 4.09Å; L567-L588 HydrophobicContact CB-CD1 4.38Å; L567-L588 HydrophobicContact CB-CD2 4.41Å; L567-L588 HydrophobicContact CD1-CD2 3.96Å; L588-V590 HydrophobicContact CD2-CG2 4.08Å; L588-V590 HydrophobicContact CG-CG2 3.99Å; L588-Y601 HydrophobicContact CD2-CD1 3.94Å; L588-Y601 HydrophobicContact CD2-CE1 4.23Å |
| 589 | Y | 92.2 | Very high | 88.6 | Confident | 121 Ų | 121 | 45.2 Ų | 45.2 | 48% | 0.475 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.4 | 174.3 | -62.5 | -83.8 | 0 | 0 | 0 | 109 | I542 A543 Q544 K587 | I542-Y589 HydrophobicContact CG2-CD1 4.42Å; A543-Y589 CarbonylContact O-C 3.59Å; A543-Y589 WeakPolarHBondContact O-CA 3.39Å; Q544-Y589 HydrophobicContact CB-CD1 4.11Å; Q544-Y589 HydrophobicContact CB-CE1 4.04Å; Q544-Y589 HydrophobicContact CG-CD1 4.22Å; Q544-Y589 HydrophobicContact CG-CE1 3.8Å; Q544-Y589 VanDerWaalsContact NE2-CE1 3.32Å; Q544-Y589 PolarHBondContact NE2-OH 2.84Å; K587-Y589 HydrophobicContact CB-CE2 4.45Å |
| 590 | V | 90.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.5 | -175 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | I542 A543 L545 L588 L592 E596 Y601 L620 | I542-V590 CarbonylContact C-O 3.56Å; I542-V590 WeakPolarHBondContact CA-O 3.43Å; A543-V590 HydrophobicContact CB-CB 4.46Å; A543-V590 PolarHBondContact N-O 3.49Å; A543-V590 PolarHBondContact O-N 3.01Å; L545-V590 HydrophobicContact CD1-CG2 3.84Å; L545-V590 HydrophobicContact CG-CG2 4.22Å; L588-V590 HydrophobicContact CD2-CG2 4.08Å; L588-V590 HydrophobicContact CG-CG2 3.99Å; V590-L592 HydrophobicContact CG1-CD2 4.21Å; V590-L592 PolarHBondContact O-N 2.78Å; V590-E596 HydrophobicContact CG1-CG 3.91Å; V590-Y601 HydrophobicContact CG1-CE1 4.41Å; V590-Y601 HydrophobicContact CG1-CE2 4.42Å; V590-Y601 VanDerWaalsContact CG1-OH 3.25Å; V590-Y601 WeakPolarHBondContact CG1-OH 3.14Å; V590-Y601 HydrophobicContact CG2-CD1 4.39Å; V590-Y601 HydrophobicContact CG2-CE1 3.78Å; V590-L620 HydrophobicContact CG1-CD1 4.43Å |
| 591 | P | 91.1 | Very high | 90 | Very high | 91 Ų | 91 | 44.1 Ų | 44.1 | 59% | 0.591 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131.2 | 165.5 | -16.8 | 31 | 0 | 0 | 0 | 109.1 | ||
| 592 | L | 91.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -98.5 | 120.9 | -172.1 | -61.7 | 172.5 | 0 | 0 | 0 | 111.8 | L537 R538 A539 G540 D541 A543 V590 E596 L620 V622 | L537-L592 HydrophobicContact CB-CD1 3.71Å; L537-L592 HydrophobicContact CD1-CD1 4.31Å; L537-L592 HydrophobicContact CD1-CD2 4.39Å; L537-L592 HydrophobicContact CD2-CD1 4.1Å; L537-L592 HydrophobicContact CG-CD1 4.25Å; R538-L592 WeakPolarHBondContact O-CD1 3.48Å; A539-L592 CarbonylContact C-O 3.56Å; A539-L592 WeakPolarHBondContact CA-O 3.27Å; G540-L592 PolarHBondContact N-O 3.12Å; D541-L592 HydrophobicContact CB-CD1 4.05Å; D541-L592 WeakPolarHBondContact O-CB 3.12Å; D541-L592 WeakPolarHBondContact O-CG 3.45Å; D541-L592 PolarHBondContact O-N 3.26Å; A543-L592 HydrophobicContact CB-CD1 4.09Å; A543-L592 HydrophobicContact CB-CD2 3.88Å; A543-L592 HydrophobicContact CB-CG 4.16Å; V590-L592 HydrophobicContact CG1-CD2 4.21Å; V590-L592 PolarHBondContact O-N 2.78Å; L592-E596 HydrophobicContact CD2-CB 4.09Å; L592-E596 HydrophobicContact CD2-CG 4.34Å; L592-L620 HydrophobicContact CD2-CD1 4.01Å; L592-V622 HydrophobicContact CB-CG1 4.12Å; L592-V622 HydrophobicContact CD2-CG2 3.9Å | ||
| 593 | T | 88.2 | Confident | 90.5 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 41% | 0.411 | 23% | 0.231 | S | C | . | . | trans | -111.9 | -177.8 | 163.8 | 80.1 | 0 | 0 | 0 | 0 | 110.1 | E595 E596 | T593-E595 PolarHBondContact O-N 3.07Å; T593-E595 WeakPolarHBondContact OG1-CB 3.43Å; T593-E595 PolarHBondContact OG1-N 2.74Å; T593-E596 WeakPolarHBondContact CA-OE2 3.33Å; T593-E596 VanDerWaalsContact CB-OE2 3.3Å; T593-E596 WeakPolarHBondContact CB-OE2 3.33Å; T593-E596 PolarHBondContact N-OE2 3.15Å; T593-E596 PolarHBondContact O-N 2.89Å; T593-E596 PolarHBondContact OG1-OE2 2.88Å | ||
| 594 | A | 85.5 | Confident | 90.7 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -65.1 | -22.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | E596 D597 Y624 I627 | A594-E596 PolarHBondContact O-N 3.12Å; A594-D597 WeakPolarHBondContact O-CB 3.32Å; A594-D597 PolarHBondContact O-N 2.89Å; A594-Y624 HydrophobicContact CB-CD1 4.05Å; A594-Y624 HydrophobicContact CB-CD2 3.5Å; A594-Y624 VanDerWaalsContact CB-CD2 3.5Å; A594-Y624 HydrophobicContact CB-CE1 4.28Å; A594-Y624 HydrophobicContact CB-CE2 3.73Å; A594-Y624 HydrophobicContact CB-CG 3.7Å; A594-I627 HydrophobicContact CB-CD1 3.38Å |
| 595 | E | 85.1 | Confident | 90.7 | Very high | 146 Ų | 146 | 43.4 Ų | 43.4 | 68% | 0.682 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -76 | -11.7 | 176.7 | -55.4 | -177.8 | -179 | 0 | 0 | 112.6 | T593 | T593-E595 PolarHBondContact O-N 3.07Å; T593-E595 WeakPolarHBondContact OG1-CB 3.43Å; T593-E595 PolarHBondContact OG1-N 2.74Å |
| 596 | E | 88.4 | Confident | 90.5 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -85.6 | -10.5 | 171.5 | -84.2 | 61.9 | -130.6 | 0 | 0 | 113 | K562 V590 L592 T593 A594 A599 V622 | K562-E596 IonicContact NZ-OE1 3.11Å; K562-E596 PolarHBondContact NZ-OE1 2.88Å; V590-E596 HydrophobicContact CG1-CG 3.91Å; L592-E596 HydrophobicContact CD2-CB 4.09Å; L592-E596 HydrophobicContact CD2-CG 4.34Å; T593-E596 WeakPolarHBondContact CA-OE2 3.33Å; T593-E596 VanDerWaalsContact CB-OE2 3.3Å; T593-E596 WeakPolarHBondContact CB-OE2 3.33Å; T593-E596 PolarHBondContact N-OE2 3.15Å; T593-E596 PolarHBondContact O-N 2.89Å; T593-E596 PolarHBondContact OG1-OE2 2.88Å; A594-E596 PolarHBondContact O-N 3.12Å; E596-A599 VanDerWaalsContact O-CB 3.26Å; E596-A599 WeakPolarHBondContact O-CB 3.36Å; E596-A599 PolarHBondContact O-N 3.35Å; E596-A599 VanDerWaalsContact O-N 3.16Å; E596-V622 HydrophobicContact CB-CG2 4.07Å |
| 597 | D | 87.7 | Confident | 90 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 133.5 | 173.6 | -167.8 | 43 | 0 | 0 | 0 | 110.8 | A594 A599 S621 V622 Y624 N653 | A594-D597 WeakPolarHBondContact O-CB 3.32Å; A594-D597 PolarHBondContact O-N 2.89Å; D597-A599 PolarHBondContact O-N 3.16Å; D597-S621 WeakPolarHBondContact OD1-CA 3.44Å; D597-V622 HydrophobicContact CB-CB 4.1Å; D597-V622 PolarHBondContact OD1-N 3.11Å; D597-Y624 HydrophobicContact CB-CD1 4.38Å; D597-Y624 HydrophobicContact CB-CE1 3.63Å; D597-Y624 WeakPolarHBondContact OD2-CE1 3.42Å; D597-N653 PolarHBondContact OD1-ND2 2.82Å; D597-N653 PolarHBondContact OD2-ND2 2.92Å |
| 598 | S | 85.4 | Confident | 89.1 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 1.7 | -167.9 | -55.2 | 0 | 0 | 0 | 0 | 115.8 | S600 L620 | S598-S600 PolarHBondContact O-N 2.72Å; S598-S600 PolarHBondContact O-OG 2.93Å; S598-L620 VanDerWaalsContact CA-O 3.28Å; S598-L620 WeakPolarHBondContact CA-O 3.29Å; S598-L620 PolarHBondContact N-O 3.05Å |
| 599 | A | 89.1 | Confident | 88.3 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | trans | -65 | 128.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E596 D597 Y601 S619 L620 | E596-A599 VanDerWaalsContact O-CB 3.26Å; E596-A599 WeakPolarHBondContact O-CB 3.36Å; E596-A599 PolarHBondContact O-N 3.35Å; E596-A599 VanDerWaalsContact O-N 3.16Å; D597-A599 PolarHBondContact O-N 3.16Å; A599-Y601 HydrophobicContact CB-CE2 4.02Å; A599-S619 WeakPolarHBondContact O-CA 3.39Å; A599-L620 PolarHBondContact O-N 2.58Å | ||
| 600 | S | 91.7 | Very high | 87.4 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 114.9 | -174.2 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | S598 V618 S619 | S598-S600 PolarHBondContact O-N 2.72Å; S598-S600 PolarHBondContact O-OG 2.93Å; S600-V618 CarbonylContact C-O 3.58Å; S600-V618 WeakPolarHBondContact CA-O 3.42Å; S600-S619 PolarHBondContact OG-OG 3.46Å |
| 601 | Y | 92.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.7 | 178.3 | -72.3 | -99.5 | 0 | 0 | 0 | 109.4 | L545 W561 K562 L567 L588 V590 A599 V617 V618 L620 | L545-Y601 HydrophobicContact CD1-CD1 3.85Å; L545-Y601 HydrophobicContact CD1-CD2 4.09Å; L545-Y601 HydrophobicContact CD1-CE1 4.49Å; L545-Y601 HydrophobicContact CD1-CG 3.63Å; W561-Y601 WeakPolarHBondContact O-CA 3.22Å; K562-Y601 HydrophobicContact CB-CD1 4.32Å; K562-Y601 HydrophobicContact CB-CE1 4.05Å; K562-Y601 HydrophobicContact CD-CE1 4.19Å; K562-Y601 HydrophobicContact CG-CE1 4.2Å; L567-Y601 HydrophobicContact CD1-CD1 4.11Å; L567-Y601 HydrophobicContact CD1-CE1 3.77Å; L588-Y601 HydrophobicContact CD2-CD1 3.94Å; L588-Y601 HydrophobicContact CD2-CE1 4.23Å; V590-Y601 HydrophobicContact CG1-CE1 4.41Å; V590-Y601 HydrophobicContact CG1-CE2 4.42Å; V590-Y601 VanDerWaalsContact CG1-OH 3.25Å; V590-Y601 WeakPolarHBondContact CG1-OH 3.14Å; V590-Y601 HydrophobicContact CG2-CD1 4.39Å; V590-Y601 HydrophobicContact CG2-CE1 3.78Å; A599-Y601 HydrophobicContact CB-CE2 4.02Å; Y601-V617 WeakPolarHBondContact O-CA 3.41Å; Y601-V618 PolarHBondContact N-O 2.96Å; Y601-V618 PolarHBondContact O-N 3.33Å; Y601-L620 HydrophobicContact CD2-CD1 3.92Å; Y601-L620 HydrophobicContact CD2-CG 3.97Å; Y601-L620 HydrophobicContact CE2-CD1 3.59Å; Y601-L620 HydrophobicContact CE2-CG 4.08Å |
| 602 | T | 93.7 | Very high | 86 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120 | 176.5 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | W560 W561 N615 E616 V617 | W560-T602 CarbonylContact C-O 3.55Å; W560-T602 WeakPolarHBondContact CA-O 3.15Å; W561-T602 PolarHBondContact N-O 2.57Å; W561-T602 PolarHBondContact O-N 2.88Å; T602-N615 HydrophobicContact CG2-CB 3.79Å; T602-E616 CarbonylContact C-O 3.47Å; T602-E616 WeakPolarHBondContact CA-O 3.42Å; T602-V617 HydrophobicContact CG2-CG2 4.07Å |
| 603 | C | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.3 | 162.2 | 179.7 | 0 | 0 | 0 | 0 | 109 | V530 C547 I558 W560 N615 E616 | V530-C603 HydrophobicContact CG2-CB 3.59Å; C547-C603 HydrophobicContact CB-CB 3.66Å; C547-C603 WeakPolarHBondContact CB-SG 3.45Å; C547-C603 WeakPolarHBondContact SG-CB 3.33Å; C547-C603 CovalentContact SG-SG 2.02Å; C547-C603 PolarHBondContact SG-SG 2.96Å; I558-C603 WeakPolarHBondContact CG2-SG 3.13Å; W560-C603 HydrophobicContact CD2-CB 4.39Å; W560-C603 HydrophobicContact CE3-CB 4Å; W560-C603 HydrophobicContact CH2-CB 4.15Å; W560-C603 HydrophobicContact CZ3-CB 3.86Å; C603-N615 CarbonylContact O-C 3.52Å; C603-N615 VanDerWaalsContact O-CA 3.23Å; C603-N615 WeakPolarHBondContact O-CA 3.42Å; C603-E616 PolarHBondContact N-O 3.29Å; C603-E616 PolarHBondContact O-N 3.32Å |
| 604 | R | 93 | Very high | 85.7 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.6 | 175.4 | 166.6 | 168.4 | -66.4 | 160.9 | 4.2 | 109.9 | I558 T559 N615 | I558-R604 CarbonylContact C-O 3.57Å; I558-R604 WeakPolarHBondContact CA-O 3.17Å; T559-R604 PolarHBondContact N-O 3.32Å; T559-R604 PolarHBondContact O-N 3.46Å; T559-R604 WeakPolarHBondContact OG1-CB 3.36Å; T559-R604 PolarHBondContact OG1-O 2.99Å; R604-N615 WeakPolarHBondContact CA-OD1 3.22Å; R604-N615 WeakPolarHBondContact CB-OD1 3.23Å; R604-N615 WeakPolarHBondContact CG-OD1 3.38Å; R604-N615 PolarHBondContact NE-OD1 2.6Å; R604-N615 PolarHBondContact NH2-ND2 3.05Å |
| 605 | A | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P525 P556 V557 I558 T613 I614 | P525-A605 HydrophobicContact CG-CB 4.09Å; P556-A605 HydrophobicContact CB-CB 4.43Å; V557-A605 WeakPolarHBondContact O-CA 3.47Å; I558-A605 HydrophobicContact CD1-CB 3.55Å; A605-T613 WeakPolarHBondContact O-CA 3.45Å; A605-I614 HydrophobicContact CB-CG1 3.98Å; A605-I614 PolarHBondContact N-O 2.9Å; A605-I614 PolarHBondContact O-N 3.33Å |
| 606 | S | 87.1 | Confident | 86.3 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.1 | -179.4 | 61 | 0 | 0 | 0 | 0 | 111.8 | P556 V557 | P556-S606 CarbonylContact C-O 3.57Å; P556-S606 VanDerWaalsContact CA-O 3.3Å; P556-S606 WeakPolarHBondContact CA-O 3.42Å; V557-S606 PolarHBondContact N-O 3.26Å; V557-S606 PolarHBondContact O-N 2.94Å; V557-S606 PolarHBondContact O-OG 2.81Å |
| 607 | S | 84.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.4 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | F609 I610 | S607-F609 PolarHBondContact O-N 3.14Å; S607-I610 PolarHBondContact O-N 3.41Å |
| 608 | P | 75.6 | Confident | 86.6 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 47% | 0.468 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -27 | -178.3 | -30.5 | 34.7 | 0 | 0 | 0 | 116.2 | P554 V557 | P554-P608 HydrophobicContact CG-CB 4.24Å; P554-P608 HydrophobicContact CG-CG 3.82Å; V557-P608 HydrophobicContact CG2-CG 3.97Å |
| 609 | F | 76.1 | Confident | 86.8 | Confident | 133 Ų | 133 | 53.9 Ų | 53.9 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -0.5 | -175.2 | -54.1 | -61 | 0 | 0 | 0 | 113.8 | H522 P554 S607 | H522-F609 AromaticContact CE1-CD2 3.25Å; H522-F609 WeakPolarHBondContact CE1-CD2 3.32Å; H522-F609 AromaticContact CE1-CE2 3.47Å; H522-F609 VanDerWaalsContact CE1-CE2 3.47Å; H522-F609 WeakPolarHBondContact CE1-CE2 3.35Å; H522-F609 AromaticContact ND1-CD2 3.37Å; H522-F609 WeakPolarHBondContact ND1-CD2 3.37Å; H522-F609 AromaticContact ND1-CG 3.91Å; H522-F609 AromaticContact NE2-CD2 3.9Å; H522-F609 AromaticContact NE2-CE2 3.91Å; P554-F609 HydrophobicContact CG-CD2 3.74Å; P554-F609 HydrophobicContact CG-CE2 3.65Å; S607-F609 PolarHBondContact O-N 3.14Å |
| 610 | I | 74 | Confident | 86.9 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 118.3 | -174.9 | -49.7 | 174.2 | 0 | 0 | 0 | 107.3 | T441 H522 S607 Q612 | T441-I610 HydrophobicContact CG2-CD1 3.78Å; T441-I610 HydrophobicContact CG2-CG1 3.9Å; H522-I610 HydrophobicContact CB-CD1 4.22Å; S607-I610 PolarHBondContact O-N 3.41Å; I610-Q612 HydrophobicContact CG2-CB 4.13Å; I610-Q612 HydrophobicContact CG2-CG 4.04Å; I610-Q612 PolarHBondContact O-N 2.93Å |
| 611 | S | 74.7 | Confident | 86.8 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 88% | 0.881 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 4.2 | -176.4 | 52.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 612 | Q | 77.1 | Confident | 86.7 | Confident | 123 Ų | 123 | 54.4 Ų | 54.4 | 58% | 0.575 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.5 | 172.1 | -66.4 | -177.3 | 5.9 | 0 | 0 | 109.8 | P524 I610 | P524-Q612 HydrophobicContact CB-CB 4.32Å; P524-Q612 HydrophobicContact CG-CB 4.28Å; P524-Q612 VanDerWaalsContact CG-OE1 3.28Å; I610-Q612 HydrophobicContact CG2-CB 4.13Å; I610-Q612 HydrophobicContact CG2-CG 4.04Å; I610-Q612 PolarHBondContact O-N 2.93Å |
| 613 | T | 84.1 | Confident | 86.6 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.1 | 174.3 | 66 | 0 | 0 | 0 | 0 | 108.6 | A605 | A605-T613 WeakPolarHBondContact O-CA 3.45Å |
| 614 | I | 89.4 | Confident | 86.5 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.5 | 174.2 | 59.4 | 173.9 | 0 | 0 | 0 | 108.4 | P525 S527 V528 A605 | P525-I614 HydrophobicContact CB-CD1 4.06Å; P525-I614 HydrophobicContact CG-CD1 3.86Å; P525-I614 HydrophobicContact CG-CG1 4.19Å; P525-I614 WeakPolarHBondContact O-CD1 3.38Å; S527-I614 WeakPolarHBondContact O-CD1 3.49Å; V528-I614 HydrophobicContact CB-CD1 3.86Å; V528-I614 HydrophobicContact CB-CG1 4.08Å; V528-I614 HydrophobicContact CG1-CB 4.01Å; V528-I614 HydrophobicContact CG1-CD1 3.79Å; V528-I614 HydrophobicContact CG1-CG1 3.71Å; A605-I614 HydrophobicContact CB-CG1 3.98Å; A605-I614 PolarHBondContact N-O 2.9Å; A605-I614 PolarHBondContact O-N 3.33Å |
| 615 | N | 91.6 | Very high | 86.5 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.3 | -172.5 | -53.7 | -42.7 | 0 | 0 | 0 | 109.1 | T602 C603 R604 | T602-N615 HydrophobicContact CG2-CB 3.79Å; C603-N615 CarbonylContact O-C 3.52Å; C603-N615 VanDerWaalsContact O-CA 3.23Å; C603-N615 WeakPolarHBondContact O-CA 3.42Å; R604-N615 WeakPolarHBondContact CA-OD1 3.22Å; R604-N615 WeakPolarHBondContact CB-OD1 3.23Å; R604-N615 WeakPolarHBondContact CG-OD1 3.38Å; R604-N615 PolarHBondContact NE-OD1 2.6Å; R604-N615 PolarHBondContact NH2-ND2 3.05Å |
| 616 | E | 92.1 | Very high | 86.6 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.9 | 168.6 | -170.7 | 70.2 | 169.2 | 0 | 0 | 109 | V528 V530 T602 C603 | V528-E616 HydrophobicContact CG1-CB 3.97Å; V528-E616 HydrophobicContact CG2-CB 4.19Å; V530-E616 HydrophobicContact CB-CG 4.27Å; V530-E616 HydrophobicContact CG2-CB 3.97Å; V530-E616 HydrophobicContact CG2-CG 4.01Å; T602-E616 CarbonylContact C-O 3.47Å; T602-E616 WeakPolarHBondContact CA-O 3.42Å; C603-E616 PolarHBondContact N-O 3.29Å; C603-E616 PolarHBondContact O-N 3.32Å |
| 617 | V | 91.8 | Very high | 86.7 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.5 | -178.9 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | Y601 T602 | Y601-V617 WeakPolarHBondContact O-CA 3.41Å; T602-V617 HydrophobicContact CG2-CG2 4.07Å |
| 618 | V | 90.5 | Very high | 86.9 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.9 | 170.8 | 69.6 | 0 | 0 | 0 | 0 | 110.1 | V530 V532 L545 S600 Y601 L620 | V530-V618 HydrophobicContact CB-CB 4.38Å; V530-V618 HydrophobicContact CB-CG1 4.42Å; V530-V618 HydrophobicContact CG1-CB 3.97Å; V530-V618 HydrophobicContact CG1-CG1 3.59Å; V532-V618 HydrophobicContact CG2-CG2 3.66Å; L545-V618 HydrophobicContact CD1-CG1 4.41Å; L545-V618 HydrophobicContact CD2-CG1 4.4Å; S600-V618 CarbonylContact C-O 3.58Å; S600-V618 WeakPolarHBondContact CA-O 3.42Å; Y601-V618 PolarHBondContact N-O 2.96Å; Y601-V618 PolarHBondContact O-N 3.33Å; V618-L620 HydrophobicContact CG1-CD2 4.43Å |
| 619 | S | 90.6 | Very high | 87.2 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.7 | 171.9 | -51.2 | 0 | 0 | 0 | 0 | 108.8 | A599 S600 | A599-S619 WeakPolarHBondContact O-CA 3.39Å; S600-S619 PolarHBondContact OG-OG 3.46Å |
| 620 | L | 89.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | trans | -81 | 146.7 | 178.6 | -50.9 | -173.4 | 0 | 0 | 0 | 110.3 | V532 L537 L545 V590 L592 S598 A599 Y601 V618 V622 | V532-L620 HydrophobicContact CG1-CD2 4.5Å; V532-L620 HydrophobicContact CG2-CD2 4.35Å; L537-L620 HydrophobicContact CD1-CB 4.08Å; L537-L620 HydrophobicContact CD1-CD1 4.45Å; L537-L620 HydrophobicContact CD1-CD2 4.24Å; L537-L620 HydrophobicContact CD1-CG 4.48Å; L545-L620 HydrophobicContact CD2-CD2 3.71Å; V590-L620 HydrophobicContact CG1-CD1 4.43Å; L592-L620 HydrophobicContact CD2-CD1 4.01Å; S598-L620 VanDerWaalsContact CA-O 3.28Å; S598-L620 WeakPolarHBondContact CA-O 3.29Å; S598-L620 PolarHBondContact N-O 3.05Å; A599-L620 PolarHBondContact O-N 2.58Å; Y601-L620 HydrophobicContact CD2-CD1 3.92Å; Y601-L620 HydrophobicContact CD2-CG 3.97Å; Y601-L620 HydrophobicContact CE2-CD1 3.59Å; Y601-L620 HydrophobicContact CE2-CG 4.08Å; V618-L620 HydrophobicContact CG1-CD2 4.43Å; L620-V622 HydrophobicContact CB-CG2 4.17Å | ||
| 621 | S | 89.3 | Confident | 87.4 | Confident | 77 Ų | 77 | 70 Ų | 70 | 54% | 0.538 | 36% | 0.364 | S | S | . | . | trans | -120.8 | 108.9 | 166.7 | -171 | 0 | 0 | 0 | 0 | 108.2 | D597 N653 | D597-S621 WeakPolarHBondContact OD1-CA 3.44Å; S621-N653 PolarHBondContact OG-ND2 2.88Å; S621-N653 VanDerWaalsContact OG-ND2 3.08Å | ||
| 622 | V | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.2 | -170.7 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | L537 A539 L592 E596 D597 L620 Y624 N653 | L537-V622 HydrophobicContact CB-CG2 4.26Å; L537-V622 HydrophobicContact CD1-CG2 4.33Å; A539-V622 HydrophobicContact CB-CG1 4.33Å; L592-V622 HydrophobicContact CB-CG1 4.12Å; L592-V622 HydrophobicContact CD2-CG2 3.9Å; E596-V622 HydrophobicContact CB-CG2 4.07Å; D597-V622 HydrophobicContact CB-CB 4.1Å; D597-V622 PolarHBondContact OD1-N 3.11Å; L620-V622 HydrophobicContact CB-CG2 4.17Å; V622-Y624 WeakPolarHBondContact O-CD1 3.49Å; V622-Y624 WeakPolarHBondContact O-CE1 3.4Å; V622-N653 VanDerWaalsContact O-CB 3.29Å; V622-N653 WeakPolarHBondContact O-CB 3.13Å; V622-N653 PolarHBondContact O-ND2 2.82Å |
| 623 | R | 90.6 | Very high | 87.9 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 135.7 | 178.8 | -61 | 177.7 | 171.9 | -122.6 | -5.3 | 111.5 | L537 R538 A539 N653 E708 | L537-R623 PolarHBondContact O-N 2.85Å; R538-R623 WeakPolarHBondContact CA-O 3.38Å; R538-R623 HydrophobicContact CG-CB 4.36Å; A539-R623 PolarHBondContact N-O 3.3Å; R623-N653 CarbonylContact C-O 3.59Å; R623-N653 VanDerWaalsContact CA-O 3.31Å; R623-N653 WeakPolarHBondContact CA-O 3.39Å; R623-E708 HydrophobicContact CB-CG 3.84Å; R623-E708 WeakPolarHBondContact CD-OE1 3.27Å; R623-E708 IonicContact NH1-OE1 3.57Å |
| 624 | Y | 92.5 | Very high | 88 | Confident | 24 Ų | 24 | 70 Ų | 70 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 154.9 | -179.7 | 59.5 | -78.3 | 0 | 0 | 0 | 112.2 | A594 D597 V622 I627 F651 N653 N706 | A594-Y624 HydrophobicContact CB-CD1 4.05Å; A594-Y624 HydrophobicContact CB-CD2 3.5Å; A594-Y624 VanDerWaalsContact CB-CD2 3.5Å; A594-Y624 HydrophobicContact CB-CE1 4.28Å; A594-Y624 HydrophobicContact CB-CE2 3.73Å; A594-Y624 HydrophobicContact CB-CG 3.7Å; D597-Y624 HydrophobicContact CB-CD1 4.38Å; D597-Y624 HydrophobicContact CB-CE1 3.63Å; D597-Y624 WeakPolarHBondContact OD2-CE1 3.42Å; V622-Y624 WeakPolarHBondContact O-CD1 3.49Å; V622-Y624 WeakPolarHBondContact O-CE1 3.4Å; Y624-I627 HydrophobicContact CD2-CD1 3.83Å; Y624-I627 HydrophobicContact CD2-CG1 4.12Å; Y624-I627 HydrophobicContact CE2-CD1 4Å; Y624-I627 HydrophobicContact CE2-CG1 4.3Å; Y624-F651 AromaticContact CE2-CD2 4Å; Y624-F651 HydrophobicContact CE2-CD2 4Å; Y624-F651 HydrophobicContact CE2-CE2 4.13Å; Y624-F651 WeakPolarHBondContact OH-CD2 3.49Å; Y624-N653 HydrophobicContact CD1-CB 3.93Å; Y624-N653 HydrophobicContact CE1-CB 3.56Å; Y624-N653 PolarHBondContact N-O 3.02Å; Y624-N653 PolarHBondContact O-N 2.81Å; Y624-N653 VanDerWaalsContact O-O 3.12Å; Y624-N706 PolarHBondContact O-ND2 3.41Å |
| 625 | A | 92.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 157.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 626 | P | 93.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 138.5 | -170.5 | -22.6 | 35.7 | 0 | 0 | 0 | 113.3 | A650 F651 I657 A704 N706 T711 | P626-A650 HydrophobicContact CB-CB 3.82Å; P626-F651 CarbonylContact C-O 3.53Å; P626-F651 WeakPolarHBondContact CA-O 3.31Å; P626-I657 HydrophobicContact CB-CD1 4.08Å; P626-I657 HydrophobicContact CB-CG1 4.32Å; P626-I657 HydrophobicContact CB-CG2 4.32Å; P626-I657 HydrophobicContact CG-CD1 4.33Å; P626-I657 HydrophobicContact CG-CG1 4.04Å; P626-I657 HydrophobicContact CG-CG2 4.11Å; P626-A704 HydrophobicContact CB-CB 3.86Å; P626-A704 HydrophobicContact CG-CB 4.29Å; P626-N706 HydrophobicContact CG-CB 4Å; P626-T711 WeakPolarHBondContact O-CB 3.43Å; P626-T711 WeakPolarHBondContact O-CG2 3.35Å; P626-T711 PolarHBondContact O-OG1 2.83Å |
| 627 | I | 89.6 | Confident | 87.7 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 35% | 0.354 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.2 | 178 | -58.8 | 177 | 0 | 0 | 0 | 108.6 | A594 Y624 A650 F651 | A594-I627 HydrophobicContact CB-CD1 3.38Å; Y624-I627 HydrophobicContact CD2-CD1 3.83Å; Y624-I627 HydrophobicContact CD2-CG1 4.12Å; Y624-I627 HydrophobicContact CE2-CD1 4Å; Y624-I627 HydrophobicContact CE2-CG1 4.3Å; I627-A650 CarbonylContact O-C 3.47Å; I627-A650 WeakPolarHBondContact O-CA 3.04Å; I627-A650 WeakPolarHBondContact O-CB 3.42Å; I627-F651 HydrophobicContact CB-CE1 4.12Å; I627-F651 HydrophobicContact CB-CE2 4.01Å; I627-F651 HydrophobicContact CB-CZ 3.78Å; I627-F651 HydrophobicContact CD1-CE2 4.36Å; I627-F651 HydrophobicContact CG2-CE1 4.04Å; I627-F651 HydrophobicContact CG2-CE2 4.41Å; I627-F651 HydrophobicContact CG2-CZ 3.73Å; I627-F651 PolarHBondContact N-O 2.78Å; I627-F651 WeakPolarHBondContact O-CD1 3.42Å; I627-F651 WeakPolarHBondContact O-CE1 3.23Å; I627-F651 PolarHBondContact O-N 2.85Å |
| 628 | F | 89.6 | Confident | 87.6 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 147.3 | 174 | -60.9 | -81 | 0 | 0 | 0 | 110.9 | L630 G648 A650 C702 A704 T711 V712 I713 | F628-L630 PolarHBondContact O-N 2.79Å; F628-L630 VanDerWaalsContact O-N 3.16Å; F628-G648 WeakPolarHBondContact CD1-O 3.42Å; F628-G648 VanDerWaalsContact CE1-O 3.25Å; F628-G648 WeakPolarHBondContact CE1-O 3.42Å; F628-A650 HydrophobicContact CD1-CB 3.79Å; F628-A650 HydrophobicContact CE1-CB 3.96Å; F628-A650 HydrophobicContact CG-CB 4.27Å; F628-C702 WeakPolarHBondContact CZ-O 3.45Å; F628-A704 HydrophobicContact CE1-CB 3.88Å; F628-A704 HydrophobicContact CE2-CB 4.41Å; F628-A704 HydrophobicContact CZ-CB 3.57Å; F628-T711 VanDerWaalsContact CE2-OG1 3.3Å; F628-T711 WeakPolarHBondContact CE2-OG1 3.5Å; F628-V712 VanDerWaalsContact CE2-C 3.5Å; F628-I713 HydrophobicContact CB-CD1 4.24Å; F628-I713 HydrophobicContact CD1-CB 4.15Å; F628-I713 HydrophobicContact CD1-CG2 3.57Å; F628-I713 HydrophobicContact CD2-CB 3.8Å; F628-I713 HydrophobicContact CD2-CG2 4.08Å; F628-I713 HydrophobicContact CE1-CB 4.26Å; F628-I713 HydrophobicContact CE1-CG2 3.46Å; F628-I713 VanDerWaalsContact CE1-CG2 3.46Å; F628-I713 HydrophobicContact CE2-CB 3.92Å; F628-I713 HydrophobicContact CE2-CG2 3.99Å; F628-I713 HydrophobicContact CG-CB 3.92Å; F628-I713 HydrophobicContact CG-CD1 4.4Å; F628-I713 HydrophobicContact CG-CG2 3.89Å; F628-I713 HydrophobicContact CZ-CB 4.15Å; F628-I713 HydrophobicContact CZ-CG2 3.68Å |
| 629 | F | 81.3 | Confident | 87.6 | Confident | 153 Ų | 153 | 73.8 Ų | 73.8 | 67% | 0.671 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -60.4 | -21.9 | 171 | -69.9 | -81.3 | 0 | 0 | 0 | 113.4 | S649 F651 | F629-S649 WeakPolarHBondContact CD2-O 3.06Å; F629-F651 HydrophobicContact CD1-CD1 4.43Å; F629-F651 HydrophobicContact CD1-CE1 4.4Å; F629-F651 HydrophobicContact CE1-CD1 4.09Å; F629-F651 HydrophobicContact CE1-CE1 4.36Å; F629-F651 HydrophobicContact CE2-CD1 4.19Å; F629-F651 AromaticContact CZ-CD1 3.95Å; F629-F651 HydrophobicContact CZ-CD1 3.95Å |
| 630 | L | 80.8 | Confident | 87.5 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | trans | -104.7 | 125 | -177.9 | -66.3 | 164 | 0 | 0 | 0 | 109.1 | F628 Q634 I713 F715 | F628-L630 PolarHBondContact O-N 2.79Å; F628-L630 VanDerWaalsContact O-N 3.16Å; L630-Q634 HydrophobicContact CD1-CG 3.92Å; L630-Q634 HydrophobicContact CD2-CG 4.31Å; L630-Q634 HydrophobicContact CG-CG 4.5Å; L630-I713 HydrophobicContact CB-CD1 3.38Å; L630-I713 HydrophobicContact CD1-CD1 3.93Å; L630-I713 HydrophobicContact CG-CD1 4.31Å; L630-F715 HydrophobicContact CD1-CE1 4.13Å; L630-F715 HydrophobicContact CD1-CZ 4.47Å | ||
| 631 | R | 73.6 | Confident | 87.3 | Confident | 232 Ų | 232 | 78.3 Ų | 78.3 | 88% | 0.875 | 39% | 0.389 | S | S | * | . | trans | -85 | -20.1 | -172.5 | -73 | 179.5 | 166.1 | 154.1 | -4.5 | 115 | ||||
| 632 | E | 79.5 | Confident | 87.3 | Confident | 144 Ų | 144 | 80 Ų | 80 | 67% | 0.673 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -139.1 | 159.9 | -171.3 | -71.8 | -178.7 | -160.6 | 0 | 0 | 111.8 | Q634 | E632-Q634 PolarHBondContact O-N 2.88Å; E632-Q634 PolarHBondContact O-NE2 3.24Å |
| 633 | P | 82.1 | Confident | 87.2 | Confident | 100 Ų | 100 | 83.5 Ų | 83.5 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 129.1 | 177 | -23.4 | 34 | 0 | 0 | 0 | 112.3 | T714 | P633-T714 CarbonylContact C-O 3.6Å; P633-T714 WeakPolarHBondContact CA-O 3.28Å |
| 634 | Q | 86 | Confident | 87.1 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.7 | -175.4 | -63.5 | -57.5 | -66.9 | 0 | 0 | 111.3 | L630 E632 T714 F715 N716 | L630-Q634 HydrophobicContact CD1-CG 3.92Å; L630-Q634 HydrophobicContact CD2-CG 4.31Å; L630-Q634 HydrophobicContact CG-CG 4.5Å; E632-Q634 PolarHBondContact O-N 2.88Å; E632-Q634 PolarHBondContact O-NE2 3.24Å; Q634-T714 PolarHBondContact N-O 3.03Å; Q634-F715 HydrophobicContact CB-CD1 3.81Å; Q634-F715 HydrophobicContact CB-CE1 4.29Å; Q634-F715 HydrophobicContact CG-CD1 4.25Å; Q634-F715 HydrophobicContact CG-CE1 4.23Å; Q634-F715 CarbonylContact O-C 3.56Å; Q634-F715 VanDerWaalsContact O-CA 3.26Å; Q634-F715 WeakPolarHBondContact O-CA 3.5Å; Q634-N716 PolarHBondContact O-N 3.43Å |
| 635 | Q | 88.7 | Confident | 87 | Confident | 136 Ų | 136 | 81.3 Ų | 81.3 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.2 | 169.3 | -171.4 | 176.6 | 14.7 | 0 | 0 | 109.9 | N716 | Q635-N716 WeakPolarHBondContact CA-O 3.48Å; Q635-N716 HydrophobicContact CG-CB 4.44Å |
| 636 | L | 89.3 | Confident | 87 | Confident | 66 Ų | 66 | 80 Ų | 80 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.6 | -177.7 | -153.3 | 79.1 | 0 | 0 | 0 | 110.3 | V638 V644 L646 N716 V718 | L636-V638 HydrophobicContact CD2-CG2 3.96Å; L636-V638 HydrophobicContact CG-CG2 4.2Å; L636-V644 HydrophobicContact CD2-CG2 3.42Å; L636-V644 VanDerWaalsContact CD2-CG2 3.42Å; L636-L646 HydrophobicContact CD2-CD2 3.96Å; L636-N716 PolarHBondContact N-O 3.37Å; L636-V718 PolarHBondContact O-N 2.8Å |
| 637 | T | 88.6 | Confident | 86.9 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.9 | 174.3 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | V718 | T637-V718 WeakPolarHBondContact CA-O 3.29Å; T637-V718 HydrophobicContact CG2-CB 4.16Å; T637-V718 HydrophobicContact CG2-CG1 4.43Å |
| 638 | V | 90.9 | Very high | 86.9 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.1 | -173.8 | -166.9 | 0 | 0 | 0 | 0 | 109.4 | L636 E642 V644 I692 V718 V719 R720 | L636-V638 HydrophobicContact CD2-CG2 3.96Å; L636-V638 HydrophobicContact CG-CG2 4.2Å; V638-E642 HydrophobicContact CG1-CB 3.91Å; V638-V644 HydrophobicContact CG1-CB 4.37Å; V638-V644 HydrophobicContact CG2-CB 4.22Å; V638-V644 HydrophobicContact CG2-CG2 4.05Å; V638-I692 HydrophobicContact CB-CD1 4.34Å; V638-I692 HydrophobicContact CB-CG2 4.45Å; V638-I692 HydrophobicContact CG1-CG2 3.86Å; V638-V718 PolarHBondContact N-O 3.18Å; V638-V719 CarbonylContact O-C 3.51Å; V638-V719 WeakPolarHBondContact O-CA 3.24Å; V638-R720 PolarHBondContact O-N 3.45Å |
| 639 | L | 89.7 | Confident | 86.9 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 40% | 0.398 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 147.1 | 173.2 | -66.1 | 173.7 | 0 | 0 | 0 | 110.6 | E642 I692 R720 I800 | L639-E642 HydrophobicContact CB-CG 3.95Å; L639-E642 WeakPolarHBondContact O-CB 3.29Å; L639-E642 PolarHBondContact O-N 3.03Å; L639-I692 WeakPolarHBondContact O-CG2 3.45Å; L639-R720 CarbonylContact C-O 3.57Å; L639-R720 WeakPolarHBondContact CA-O 3.19Å; L639-R720 HydrophobicContact CD2-CB 4.09Å; L639-I800 HydrophobicContact CD2-CD1 4.08Å; L639-I800 HydrophobicContact CD2-CG1 4.48Å; L639-I800 HydrophobicContact CD2-CG2 3.7Å |
| 640 | E | 89.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 141.5 | 173.3 | -171.9 | 169.4 | -122.8 | 0 | 0 | 111.5 | E642 I692 R694 V719 R720 | E640-E642 VanDerWaalsContact C-N 3.27Å; E640-E642 PolarHBondContact O-N 3.19Å; E640-I692 WeakPolarHBondContact CA-O 3.1Å; E640-R694 WeakPolarHBondContact OE1-CG 3.28Å; E640-R694 IonicContact OE1-NE 2.67Å; E640-V719 HydrophobicContact CB-CG1 4.13Å; E640-R720 PolarHBondContact N-O 2.85Å |
| 641 | N | 86.4 | Confident | 87.7 | Confident | 111 Ų | 111 | 75.3 Ų | 75.3 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | -0.3 | -173.4 | -51.9 | -53.8 | 0 | 0 | 0 | 117.1 | I692 | N641-I692 PolarHBondContact N-O 2.84Š|
| 642 | E | 88.3 | Confident | 88.4 | Confident | 112 Ų | 112 | 64.7 Ų | 64.7 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 161.2 | 168.8 | -72.1 | -67.4 | 165.5 | 0 | 0 | 112.4 | V638 L639 E640 E691 I692 | V638-E642 HydrophobicContact CG1-CB 3.91Å; L639-E642 HydrophobicContact CB-CG 3.95Å; L639-E642 WeakPolarHBondContact O-CB 3.29Å; L639-E642 PolarHBondContact O-N 3.03Å; E640-E642 VanDerWaalsContact C-N 3.27Å; E640-E642 PolarHBondContact O-N 3.19Å; E642-E691 PolarHBondContact O-N 3.44Å; E642-I692 VanDerWaalsContact O-CG2 3.32Å; E642-I692 WeakPolarHBondContact O-CG2 3.32Å; E642-I692 PolarHBondContact O-N 3.02Å |
| 643 | T | 88.5 | Confident | 88.9 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 123.2 | 169.2 | -68.2 | 0 | 0 | 0 | 0 | 110.4 | V688 I689 N690 | T643-V688 HydrophobicContact CG2-CG1 3.74Å; T643-I689 CarbonylContact C-O 3.56Å; T643-I689 WeakPolarHBondContact CA-O 3.3Å; T643-N690 VanDerWaalsContact CG2-OD1 3.27Å; T643-N690 WeakPolarHBondContact CG2-OD1 3.4Å; T643-N690 PolarHBondContact OG1-OD1 3.33Å |
| 644 | V | 89.2 | Confident | 89.2 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.4 | 172.3 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | L636 V638 L646 V688 I689 I692 | L636-V644 HydrophobicContact CD2-CG2 3.42Å; L636-V644 VanDerWaalsContact CD2-CG2 3.42Å; V638-V644 HydrophobicContact CG1-CB 4.37Å; V638-V644 HydrophobicContact CG2-CB 4.22Å; V638-V644 HydrophobicContact CG2-CG2 4.05Å; V644-L646 HydrophobicContact CG2-CD2 3.98Å; V644-L646 HydrophobicContact CG2-CG 4.5Å; V644-V688 CarbonylContact O-C 3.56Å; V644-V688 WeakPolarHBondContact O-CA 3.29Å; V644-I689 HydrophobicContact CG1-CB 3.67Å; V644-I689 HydrophobicContact CG1-CD1 4.1Å; V644-I689 HydrophobicContact CG1-CG1 4.18Å; V644-I689 PolarHBondContact N-O 3.26Å; V644-I689 PolarHBondContact O-N 2.97Å; V644-I692 HydrophobicContact CG1-CD1 3.81Å |
| 645 | T | 91.1 | Very high | 89.2 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.6 | 168.2 | -61 | 0 | 0 | 0 | 0 | 109.3 | L686 L687 V688 | T645-L686 HydrophobicContact CG2-CD2 4.3Å; T645-L687 WeakPolarHBondContact CA-O 3.5Å; T645-V688 HydrophobicContact CG2-CG2 4.04Å |
| 646 | L | 91.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.4 | 171.4 | -55.6 | -179 | 0 | 0 | 0 | 108.6 | L636 V644 W661 L687 Y700 F715 V717 | L636-L646 HydrophobicContact CD2-CD2 3.96Å; V644-L646 HydrophobicContact CG2-CD2 3.98Å; V644-L646 HydrophobicContact CG2-CG 4.5Å; L646-W661 HydrophobicContact CB-CH2 3.51Å; L646-W661 HydrophobicContact CB-CZ2 4.43Å; L646-W661 HydrophobicContact CB-CZ3 3.88Å; L646-W661 HydrophobicContact CD1-CZ3 4.08Å; L646-L687 HydrophobicContact CB-CB 4.36Å; L646-L687 HydrophobicContact CD1-CD2 4.2Å; L646-L687 PolarHBondContact N-O 3.47Å; L646-L687 PolarHBondContact O-N 3.45Å; L646-Y700 HydrophobicContact CD1-CD1 4.19Å; L646-Y700 HydrophobicContact CD1-CD2 3.95Å; L646-Y700 HydrophobicContact CD1-CG 3.65Å; L646-F715 HydrophobicContact CB-CD2 4.41Å; L646-F715 HydrophobicContact CB-CG 4.48Å; L646-F715 HydrophobicContact CD1-CB 4.16Å; L646-F715 HydrophobicContact CD1-CD2 4.43Å; L646-F715 HydrophobicContact CD1-CG 4.34Å; L646-F715 HydrophobicContact CD2-CB 4.12Å; L646-F715 HydrophobicContact CD2-CD1 4.15Å; L646-F715 HydrophobicContact CD2-CG 4.14Å; L646-V717 HydrophobicContact CD1-CG2 4.04Å; L646-V717 HydrophobicContact CD2-CG2 3.99Å |
| 647 | N | 89.9 | Confident | 89.3 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 100.2 | -177.3 | -176.3 | -1.6 | 0 | 0 | 0 | 110.5 | S649 L686 F715 | N647-S649 VanDerWaalsContact OD1-CB 3.25Å; N647-S649 WeakPolarHBondContact OD1-CB 3.42Å; N647-S649 PolarHBondContact OD1-N 2.95Å; N647-S649 PolarHBondContact OD1-OG 2.96Å; N647-L686 HydrophobicContact CB-CD2 3.84Å; N647-F715 WeakPolarHBondContact O-CZ 3.48Å |
| 648 | G | 89.7 | Confident | 89.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | trans | -96.2 | 39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F628 A650 Y659 A685 | F628-G648 WeakPolarHBondContact CD1-O 3.42Å; F628-G648 VanDerWaalsContact CE1-O 3.25Å; F628-G648 WeakPolarHBondContact CE1-O 3.42Å; G648-A650 PolarHBondContact O-N 2.92Å; G648-Y659 WeakPolarHBondContact O-CE1 3.48Å; G648-A685 PolarHBondContact N-O 2.97Å | ||
| 649 | S | 90.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | trans | -67.4 | 131.5 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | F629 N647 | F629-S649 WeakPolarHBondContact CD2-O 3.06Å; N647-S649 VanDerWaalsContact OD1-CB 3.25Å; N647-S649 WeakPolarHBondContact OD1-CB 3.42Å; N647-S649 PolarHBondContact OD1-N 2.95Å; N647-S649 PolarHBondContact OD1-OG 2.96Å | ||
| 650 | A | 90.2 | Very high | 89.8 | Confident | 11 Ų | 11 | 62 Ų | 62 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 155.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P626 I627 F628 G648 I657 Y659 A704 | P626-A650 HydrophobicContact CB-CB 3.82Å; I627-A650 CarbonylContact O-C 3.47Å; I627-A650 WeakPolarHBondContact O-CA 3.04Å; I627-A650 WeakPolarHBondContact O-CB 3.42Å; F628-A650 HydrophobicContact CD1-CB 3.79Å; F628-A650 HydrophobicContact CE1-CB 3.96Å; F628-A650 HydrophobicContact CG-CB 4.27Å; G648-A650 PolarHBondContact O-N 2.92Å; A650-I657 HydrophobicContact CB-CD1 4.45Å; A650-I657 VanDerWaalsContact O-CD1 3.31Å; A650-I657 WeakPolarHBondContact O-CD1 3.42Å; A650-Y659 HydrophobicContact CB-CE1 4.3Å; A650-Y659 PolarHBondContact N-OH 2.86Å; A650-Y659 PolarHBondContact O-OH 3Å; A650-Y659 VanDerWaalsContact O-OH 3.1Å; A650-A704 HydrophobicContact CB-CB 3.9Å |
| 651 | F | 89 | Confident | 90 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 151.2 | 171.9 | 61.2 | -88.5 | 0 | 0 | 0 | 109.5 | Y624 P626 I627 F629 | Y624-F651 AromaticContact CE2-CD2 4Å; Y624-F651 HydrophobicContact CE2-CD2 4Å; Y624-F651 HydrophobicContact CE2-CE2 4.13Å; Y624-F651 WeakPolarHBondContact OH-CD2 3.49Å; P626-F651 CarbonylContact C-O 3.53Å; P626-F651 WeakPolarHBondContact CA-O 3.31Å; I627-F651 HydrophobicContact CB-CE1 4.12Å; I627-F651 HydrophobicContact CB-CE2 4.01Å; I627-F651 HydrophobicContact CB-CZ 3.78Å; I627-F651 HydrophobicContact CD1-CE2 4.36Å; I627-F651 HydrophobicContact CG2-CE1 4.04Å; I627-F651 HydrophobicContact CG2-CE2 4.41Å; I627-F651 HydrophobicContact CG2-CZ 3.73Å; I627-F651 PolarHBondContact N-O 2.78Å; I627-F651 WeakPolarHBondContact O-CD1 3.42Å; I627-F651 WeakPolarHBondContact O-CE1 3.23Å; I627-F651 PolarHBondContact O-N 2.85Å; F629-F651 HydrophobicContact CD1-CD1 4.43Å; F629-F651 HydrophobicContact CD1-CE1 4.4Å; F629-F651 HydrophobicContact CE1-CD1 4.09Å; F629-F651 HydrophobicContact CE1-CE1 4.36Å; F629-F651 HydrophobicContact CE2-CD1 4.19Å; F629-F651 AromaticContact CZ-CD1 3.95Å; F629-F651 HydrophobicContact CZ-CD1 3.95Å |
| 652 | G | 89.2 | Confident | 90.3 | Very high | 10 Ų | 10 | 56 Ų | 56 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 160.5 | -173 | 0 | 0 | 0 | 0 | 0 | 111.4 | P654 E655 | G652-P654 CarbonylContact C-O 3.56Å; G652-P654 CarbonylContact O-C 3.53Å; G652-P654 VanDerWaalsContact O-C 3.24Å; G652-E655 VanDerWaalsContact O-CA 3.3Å; G652-E655 WeakPolarHBondContact O-CA 3.28Å; G652-E655 PolarHBondContact O-N 3.04Å |
| 653 | N | 89 | Confident | 90.5 | Very high | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 110.4 | 173.4 | -177 | -10.7 | 0 | 0 | 0 | 108.7 | D597 S621 V622 R623 Y624 | D597-N653 PolarHBondContact OD1-ND2 2.82Å; D597-N653 PolarHBondContact OD2-ND2 2.92Å; S621-N653 PolarHBondContact OG-ND2 2.88Å; S621-N653 VanDerWaalsContact OG-ND2 3.08Å; V622-N653 VanDerWaalsContact O-CB 3.29Å; V622-N653 WeakPolarHBondContact O-CB 3.13Å; V622-N653 PolarHBondContact O-ND2 2.82Å; R623-N653 CarbonylContact C-O 3.59Å; R623-N653 VanDerWaalsContact CA-O 3.31Å; R623-N653 WeakPolarHBondContact CA-O 3.39Å; Y624-N653 HydrophobicContact CD1-CB 3.93Å; Y624-N653 HydrophobicContact CE1-CB 3.56Å; Y624-N653 PolarHBondContact N-O 3.02Å; Y624-N653 PolarHBondContact O-N 2.81Å; Y624-N653 VanDerWaalsContact O-O 3.12Å |
| 654 | P | 89.2 | Confident | 90.5 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -71.5 | 152.8 | 9.4 | 29.9 | -36.3 | 0 | 0 | 0 | 114.3 | G652 F656 N706 A707 | G652-P654 CarbonylContact C-O 3.56Å; G652-P654 CarbonylContact O-C 3.53Å; G652-P654 VanDerWaalsContact O-C 3.24Å; P654-F656 VanDerWaalsContact C-N 3.31Å; P654-F656 PolarHBondContact O-N 2.87Å; P654-N706 HydrophobicContact CG-CB 4.44Å; P654-N706 PolarHBondContact O-ND2 3.26Å; P654-N706 VanDerWaalsContact O-ND2 3.08Å; P654-A707 HydrophobicContact CG-CB 3.99Å |
| 655 | E | 85.7 | Confident | 90.3 | Very high | 177 Ų | 177 | 56.5 Ų | 56.5 | 83% | 0.827 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -66.3 | -25.6 | -175.8 | -172.3 | -177 | -178.1 | 0 | 0 | 113.8 | G652 I657 | G652-E655 VanDerWaalsContact O-CA 3.3Å; G652-E655 WeakPolarHBondContact O-CA 3.28Å; G652-E655 PolarHBondContact O-N 3.04Å; E655-I657 WeakPolarHBondContact O-CG1 3.33Å; E655-I657 PolarHBondContact O-N 2.76Å |
| 656 | F | 88.9 | Confident | 90.3 | Very high | 162 Ų | 162 | 60.3 Ų | 60.3 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | trans | -69.1 | 107.4 | 176.8 | -178.4 | -97.7 | 0 | 0 | 0 | 110.9 | P654 T658 N706 | P654-F656 VanDerWaalsContact C-N 3.31Å; P654-F656 PolarHBondContact O-N 2.87Å; F656-T658 HydrophobicContact CE1-CG2 3.63Å; F656-T658 HydrophobicContact CZ-CG2 3.9Å; F656-N706 WeakPolarHBondContact O-CB 3.12Å | ||
| 657 | I | 91.5 | Very high | 90.1 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | trans | -118.4 | 128.4 | -178.5 | -62.1 | 162.8 | 0 | 0 | 0 | 109.7 | P626 A650 E655 Y659 A704 H705 N706 | P626-I657 HydrophobicContact CB-CD1 4.08Å; P626-I657 HydrophobicContact CB-CG1 4.32Å; P626-I657 HydrophobicContact CB-CG2 4.32Å; P626-I657 HydrophobicContact CG-CD1 4.33Å; P626-I657 HydrophobicContact CG-CG1 4.04Å; P626-I657 HydrophobicContact CG-CG2 4.11Å; A650-I657 HydrophobicContact CB-CD1 4.45Å; A650-I657 VanDerWaalsContact O-CD1 3.31Å; A650-I657 WeakPolarHBondContact O-CD1 3.42Å; E655-I657 WeakPolarHBondContact O-CG1 3.33Å; E655-I657 PolarHBondContact O-N 2.76Å; I657-Y659 HydrophobicContact CB-CE2 3.98Å; I657-Y659 HydrophobicContact CG2-CD1 4.43Å; I657-Y659 HydrophobicContact CG2-CD2 4.2Å; I657-Y659 HydrophobicContact CG2-CE1 3.9Å; I657-Y659 HydrophobicContact CG2-CE2 3.63Å; I657-Y659 VanDerWaalsContact CG2-CZ 3.47Å; I657-A704 HydrophobicContact CG2-CB 3.81Å; I657-H705 CarbonylContact C-O 3.52Å; I657-H705 WeakPolarHBondContact CA-O 3.39Å; I657-N706 HydrophobicContact CG1-CB 4.31Å | ||
| 658 | T | 92.3 | Very high | 89.9 | Confident | 63 Ų | 63 | 61 Ų | 61 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 144.2 | 170.2 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | F656 A704 H705 | F656-T658 HydrophobicContact CE1-CG2 3.63Å; F656-T658 HydrophobicContact CZ-CG2 3.9Å; T658-A704 CarbonylContact O-C 3.58Å; T658-A704 WeakPolarHBondContact O-CA 3.33Å; T658-H705 PolarHBondContact N-O 2.88Å; T658-H705 PolarHBondContact O-N 2.84Å; T658-H705 PolarHBondContact OG1-O 2.87Å |
| 659 | Y | 93.5 | Very high | 89.5 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.3 | -174.4 | -66.3 | -85.2 | 0 | 0 | 0 | 111.8 | G648 A650 I657 G684 A685 K703 A704 | G648-Y659 WeakPolarHBondContact O-CE1 3.48Å; A650-Y659 HydrophobicContact CB-CE1 4.3Å; A650-Y659 PolarHBondContact N-OH 2.86Å; A650-Y659 PolarHBondContact O-OH 3Å; A650-Y659 VanDerWaalsContact O-OH 3.1Å; I657-Y659 HydrophobicContact CB-CE2 3.98Å; I657-Y659 HydrophobicContact CG2-CD1 4.43Å; I657-Y659 HydrophobicContact CG2-CD2 4.2Å; I657-Y659 HydrophobicContact CG2-CE1 3.9Å; I657-Y659 HydrophobicContact CG2-CE2 3.63Å; I657-Y659 VanDerWaalsContact CG2-CZ 3.47Å; Y659-G684 WeakPolarHBondContact CB-O 3.16Å; Y659-A685 HydrophobicContact CD1-CB 4.11Å; Y659-A685 HydrophobicContact CD2-CB 4.15Å; Y659-A685 HydrophobicContact CE1-CB 3.83Å; Y659-A685 HydrophobicContact CE2-CB 3.89Å; Y659-A685 HydrophobicContact CG-CB 4.25Å; Y659-K703 CarbonylContact C-O 3.54Å; Y659-K703 WeakPolarHBondContact CA-O 3.48Å; Y659-A704 HydrophobicContact CD1-CB 3.97Å; Y659-A704 HydrophobicContact CE1-CB 3.73Å |
| 660 | E | 93.2 | Very high | 88.8 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 41% | 0.407 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.5 | 178.7 | 177.3 | 178.6 | -150.9 | 0 | 0 | 109.6 | L662 K703 | E660-L662 HydrophobicContact CG-CD1 4.15Å; E660-K703 HydrophobicContact CB-CB 4.3Å; E660-K703 PolarHBondContact N-O 2.98Å; E660-K703 PolarHBondContact O-N 2.94Å; E660-K703 WeakPolarHBondContact OE2-CD 3.37Å; E660-K703 IonicContact OE2-NZ 2.75Å; E660-K703 PolarHBondContact OE2-NZ 2.84Å |
| 661 | W | 93.8 | Very high | 87.8 | Confident | 9 Ų | 9 | 72.6 Ų | 72.6 | 3% | 0.034 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.6 | -178.8 | -77.9 | 91.2 | 0 | 0 | 0 | 112.2 | L646 A667 V668 V682 G684 A685 L687 S701 C702 F715 | L646-W661 HydrophobicContact CB-CH2 3.51Å; L646-W661 HydrophobicContact CB-CZ2 4.43Å; L646-W661 HydrophobicContact CB-CZ3 3.88Å; L646-W661 HydrophobicContact CD1-CZ3 4.08Å; W661-A667 WeakPolarHBondContact O-CA 3.35Å; W661-V668 HydrophobicContact CB-CB 4.17Å; W661-V668 HydrophobicContact CB-CG2 4.17Å; W661-V668 PolarHBondContact O-N 2.86Å; W661-V682 HydrophobicContact CG-CG1 4.31Å; W661-G684 PolarHBondContact NE1-O 2.85Å; W661-A685 WeakPolarHBondContact CZ2-O 3.21Å; W661-L687 HydrophobicContact CD2-CB 3.72Å; W661-L687 HydrophobicContact CD2-CD2 3.91Å; W661-L687 HydrophobicContact CD2-CG 4.48Å; W661-L687 HydrophobicContact CE3-CB 3.95Å; W661-L687 HydrophobicContact CE3-CD2 3.55Å; W661-L687 HydrophobicContact CE3-CG 4.41Å; W661-L687 HydrophobicContact CG-CB 4.29Å; W661-L687 HydrophobicContact CG-CD2 4.37Å; W661-L687 HydrophobicContact CH2-CB 4.01Å; W661-L687 HydrophobicContact CZ2-CB 3.77Å; W661-L687 HydrophobicContact CZ3-CB 4.09Å; W661-L687 HydrophobicContact CZ3-CD2 4.02Å; W661-S701 CarbonylContact C-O 3.5Å; W661-S701 WeakPolarHBondContact CA-O 3.49Å; W661-C702 HydrophobicContact CD2-CB 3.86Å; W661-C702 VanDerWaalsContact CE2-SG 3.53Å; W661-C702 HydrophobicContact CE3-CB 3.81Å; W661-C702 HydrophobicContact CH2-CB 3.71Å; W661-C702 HydrophobicContact CZ2-CB 3.74Å; W661-C702 HydrophobicContact CZ3-CB 3.74Å; W661-F715 HydrophobicContact CH2-CD2 4.05Å; W661-F715 AromaticContact CH2-CE2 3.58Å; W661-F715 HydrophobicContact CH2-CE2 3.58Å; W661-F715 HydrophobicContact CH2-CZ 4.34Å; W661-F715 AromaticContact CZ3-CD2 3.81Å; W661-F715 HydrophobicContact CZ3-CD2 3.81Å; W661-F715 AromaticContact CZ3-CE2 3.78Å; W661-F715 HydrophobicContact CZ3-CE2 3.78Å |
| 662 | L | 92.9 | Very high | 86.5 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.4 | 177.3 | -53.9 | 93.8 | 0 | 0 | 0 | 110.5 | E660 Q666 Y700 S701 | E660-L662 HydrophobicContact CG-CD1 4.15Å; L662-Q666 CarbonylContact C-O 3.52Å; L662-Q666 WeakPolarHBondContact CA-O 3.49Å; L662-Y700 CarbonylContact O-C 3.56Å; L662-Y700 VanDerWaalsContact O-CA 3.24Å; L662-Y700 WeakPolarHBondContact O-CA 3.36Å; L662-S701 PolarHBondContact N-O 3.4Å; L662-S701 PolarHBondContact O-N 2.91Å |
| 663 | K | 92 | Very high | 84.9 | Confident | 52 Ų | 52 | 83 Ų | 83 | 23% | 0.226 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123 | 167.3 | -176.4 | -170.4 | -169.8 | -69.5 | 0 | 108.4 | G665 Q666 V668 H696 A697 H699 Y700 | K663-G665 PolarHBondContact O-N 3.48Å; K663-Q666 PolarHBondContact N-O 2.04Å; K663-Q666 PolarHBondContact O-N 2.92Å; K663-V668 HydrophobicContact CB-CG2 3.89Å; K663-H696 WeakPolarHBondContact CE-O 3.38Å; K663-A697 WeakPolarHBondContact CE-O 3.29Å; K663-A697 PolarHBondContact NZ-O 3.09Å; K663-H699 CarbonylContact C-O 3.59Å; K663-H699 WeakPolarHBondContact CA-O 3.24Å; K663-Y700 HydrophobicContact CB-CD1 3.87Å; K663-Y700 HydrophobicContact CB-CE1 3.7Å; K663-Y700 HydrophobicContact CD-CE1 3.85Å; K663-Y700 HydrophobicContact CD-CE2 4.27Å; K663-Y700 WeakPolarHBondContact CD-OH 3.46Å; K663-Y700 VanDerWaalsContact CE-OH 3.22Å; K663-Y700 WeakPolarHBondContact CE-OH 3.35Å; K663-Y700 HydrophobicContact CG-CD1 4.1Å; K663-Y700 HydrophobicContact CG-CE1 3.7Å; K663-Y700 HydrophobicContact CG-CE2 4.12Å |
| 664 | D | 88.8 | Confident | 83.4 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 47% | 0.465 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 37.4 | -179.7 | -54 | -56.5 | 0 | 0 | 0 | 112.5 | H699 | D664-H699 PolarHBondContact N-O 2.84Å; D664-H699 PolarHBondContact OD1-N 3.33Å; D664-H699 IonicContact OD1-ND1 3.77Å |
| 665 | G | 84.9 | Confident | 82 | Confident | 63 Ų | 63 | 97 Ų | 97 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -4 | -179 | 0 | 0 | 0 | 0 | 0 | 116.5 | K663 | K663-G665 PolarHBondContact O-N 3.48Š|
| 666 | Q | 89.9 | Confident | 80.8 | Confident | 154 Ų | 154 | 93.6 Ų | 93.6 | 72% | 0.72 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.4 | 179.3 | -60.5 | -172 | 9.8 | 0 | 0 | 112.4 | L662 K663 V668 | L662-Q666 CarbonylContact C-O 3.52Å; L662-Q666 WeakPolarHBondContact CA-O 3.49Å; K663-Q666 PolarHBondContact N-O 2.04Å; K663-Q666 PolarHBondContact O-N 2.92Å; Q666-V668 PolarHBondContact O-N 3.04Å |
| 667 | A | 88.5 | Confident | 79.7 | Confident | 69 Ų | 69 | 92.9 Ų | 92.9 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 127.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | W661 R669 | W661-A667 WeakPolarHBondContact O-CA 3.35Å; A667-R669 PolarHBondContact O-N 3.17Å; A667-R669 VanDerWaalsContact O-N 3.15Å |
| 668 | V | 86.2 | Confident | 78.9 | Confident | 29 Ų | 29 | 93.7 Ų | 93.7 | 18% | 0.176 | 48% | 0.475 | C | S | . | . | trans | -73.1 | 107.9 | -179.1 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | W661 K663 Q666 S670 V680 V682 L687 Y700 | W661-V668 HydrophobicContact CB-CB 4.17Å; W661-V668 HydrophobicContact CB-CG2 4.17Å; W661-V668 PolarHBondContact O-N 2.86Å; K663-V668 HydrophobicContact CB-CG2 3.89Å; Q666-V668 PolarHBondContact O-N 3.04Å; V668-S670 PolarHBondContact O-N 2.8Å; V668-S670 VanDerWaalsContact O-N 3.17Å; V668-V680 HydrophobicContact CG1-CG1 3.77Å; V668-V682 HydrophobicContact CB-CG2 4.3Å; V668-V682 HydrophobicContact CG1-CG2 3.95Å; V668-L687 HydrophobicContact CG1-CD1 4.06Å; V668-L687 HydrophobicContact CG1-CD2 4.33Å; V668-L687 HydrophobicContact CG2-CD2 4.29Å; V668-Y700 HydrophobicContact CG2-CD1 4.21Å; V668-Y700 HydrophobicContact CG2-CE1 4.32Å | ||
| 669 | R | 81.3 | Confident | 78.5 | Confident | 228 Ų | 228 | 94 Ų | 94 | 86% | 0.86 | 47% | 0.471 | S | S | * | . | trans | -75.5 | 105 | 174.5 | -58.7 | -174.2 | 80.8 | 170.7 | 6.1 | 109.4 | A667 S671 | A667-R669 PolarHBondContact O-N 3.17Å; A667-R669 VanDerWaalsContact O-N 3.15Å; R669-S671 PolarHBondContact O-N 2.7Å | ||
| 670 | S | 75.1 | Confident | 78.3 | Confident | 29 Ų | 29 | 92.1 Ų | 92.1 | 20% | 0.203 | 47% | 0.466 | C | S | . | . | trans | -56.5 | 136.5 | 168.4 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | V668 F672 V682 | V668-S670 PolarHBondContact O-N 2.8Å; V668-S670 VanDerWaalsContact O-N 3.17Å; S670-F672 PolarHBondContact O-N 3.01Å; S670-F672 WeakPolarHBondContact OG-CD2 3.24Å; S670-F672 WeakPolarHBondContact OG-CE2 3.37Å; S670-V682 PolarHBondContact OG-N 3.09Å; S670-V682 VanDerWaalsContact OG-N 3.09Å | ||
| 671 | S | 69.6 | Low | 78 | Confident | 36 Ų | 36 | 89.5 Ų | 89.5 | 25% | 0.252 | 46% | 0.456 | S | S | . | . | trans | -78.2 | 47.4 | -177.4 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | R669 H673 P678 K679 V680 | R669-S671 PolarHBondContact O-N 2.7Å; S671-H673 PolarHBondContact O-N 3.08Å; S671-P678 WeakPolarHBondContact OG-CA 3.14Å; S671-P678 VanDerWaalsContact OG-CB 3.23Å; S671-P678 WeakPolarHBondContact OG-CB 3.26Å; S671-K679 PolarHBondContact OG-N 3.1Å; S671-V680 WeakPolarHBondContact CB-O 3.38Å; S671-V680 PolarHBondContact N-O 3.08Å; S671-V680 PolarHBondContact OG-N 2.95Å; S671-V680 VanDerWaalsContact OG-N 3.11Å; S671-V680 PolarHBondContact OG-O 2.86Å | ||
| 672 | F | 60.3 | Low | 77.7 | Confident | 146 Ų | 146 | 90.5 Ų | 90.5 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | trans | -78.6 | 98.6 | 172 | -73 | -64.8 | 0 | 0 | 0 | 111.1 | S670 | S670-F672 PolarHBondContact O-N 3.01Å; S670-F672 WeakPolarHBondContact OG-CD2 3.24Å; S670-F672 WeakPolarHBondContact OG-CE2 3.37Å | ||
| 673 | H | 56.9 | Low | 77.4 | Confident | 161 Ų | 161 | 92.5 Ų | 92.5 | 75% | 0.745 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 175.5 | 115.3 | 138.9 | -100.7 | 55.6 | 0 | 0 | 0 | 110.4 | S671 I675 | S671-H673 PolarHBondContact O-N 3.08Å; H673-I675 VanDerWaalsContact C-N 3.33Å; H673-I675 PolarHBondContact O-N 2.97Å; H673-I675 VanDerWaalsContact O-N 3.15Å |
| 674 | R | 56.3 | Low | 77.3 | Confident | 250 Ų | 250 | 91.8 Ų | 91.8 | 94% | 0.943 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 61.1 | 15.4 | 165.3 | -52.3 | -173.2 | -177.7 | -167.3 | 1.7 | 118.9 | ||
| 675 | I | 60.2 | Low | 77.4 | Confident | 111 Ų | 111 | 88.3 Ų | 88.3 | 57% | 0.569 | 47% | 0.471 | S | S | * | . | trans | -100.6 | 130.8 | 172.1 | -52.7 | 176.1 | 0 | 0 | 0 | 108.3 | H673 H677 | H673-I675 VanDerWaalsContact C-N 3.33Å; H673-I675 PolarHBondContact O-N 2.97Å; H673-I675 VanDerWaalsContact O-N 3.15Å; I675-H677 WeakPolarHBondContact CG2-O 3.25Å; I675-H677 PolarHBondContact O-N 3.41Å | ||
| 676 | S | 61.8 | Low | 77.8 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 73% | 0.734 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -68.2 | -24.2 | -178.4 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 677 | H | 65.1 | Low | 77.9 | Confident | 146 Ų | 146 | 81 Ų | 81 | 68% | 0.676 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -129.9 | 84.5 | 177 | -61.2 | 84.6 | 0 | 0 | 0 | 108.6 | I675 K679 | I675-H677 WeakPolarHBondContact CG2-O 3.25Å; I675-H677 PolarHBondContact O-N 3.41Å; H677-K679 PolarHBondContact O-N 3.44Å |
| 678 | P | 74.7 | Confident | 78 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 26% | 0.26 | 40% | 0.404 | S | S | . | . | trans | -65.9 | 124 | 176.2 | 26.8 | -33.4 | 0 | 0 | 0 | 110 | S671 V681 N690 | S671-P678 WeakPolarHBondContact OG-CA 3.14Å; S671-P678 VanDerWaalsContact OG-CB 3.23Å; S671-P678 WeakPolarHBondContact OG-CB 3.26Å; P678-V681 HydrophobicContact CB-CG2 3.81Å; P678-V681 HydrophobicContact CG-CG2 3.64Å; P678-N690 PolarHBondContact O-ND2 2.85Å | ||
| 679 | K | 83.9 | Confident | 78.2 | Confident | 69 Ų | 69 | 78 Ų | 78 | 30% | 0.3 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -69.4 | -38.5 | -174.9 | -167.3 | 165.4 | -170.6 | 162 | 0 | 112.7 | S671 H677 I689 N690 E691 D693 H696 | S671-K679 PolarHBondContact OG-N 3.1Å; H677-K679 PolarHBondContact O-N 3.44Å; K679-I689 CarbonylContact O-C 3.55Å; K679-I689 WeakPolarHBondContact O-CA 3.48Å; K679-N690 WeakPolarHBondContact CE-O 3.18Å; K679-N690 VanDerWaalsContact CG-O 3.31Å; K679-N690 WeakPolarHBondContact CG-O 3.34Å; K679-N690 PolarHBondContact O-N 2.96Å; K679-E691 WeakPolarHBondContact CE-O 3.46Å; K679-E691 PolarHBondContact NZ-O 3.29Å; K679-D693 IonicContact NZ-OD2 3.06Å; K679-D693 PolarHBondContact NZ-OD2 2.85Å; K679-H696 VanDerWaalsContact CE-CE1 3.43Å; K679-H696 WeakPolarHBondContact CE-CE1 3.4Å |
| 680 | V | 88.4 | Confident | 78.4 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | -179.6 | -177 | 0 | 0 | 0 | 0 | 109.1 | V668 S671 L687 V688 I689 | V668-V680 HydrophobicContact CG1-CG1 3.77Å; S671-V680 WeakPolarHBondContact CB-O 3.38Å; S671-V680 PolarHBondContact N-O 3.08Å; S671-V680 PolarHBondContact OG-N 2.95Å; S671-V680 VanDerWaalsContact OG-N 3.11Å; S671-V680 PolarHBondContact OG-O 2.86Å; V680-L687 HydrophobicContact CG1-CD1 3.6Å; V680-V688 CarbonylContact C-O 3.54Å; V680-V688 WeakPolarHBondContact CA-O 3.33Å; V680-I689 HydrophobicContact CG1-CG1 4.42Å; V680-I689 HydrophobicContact CG2-CG1 4.37Å; V680-I689 HydrophobicContact CG2-CG2 4.34Å |
| 681 | V | 87.2 | Confident | 79 | Confident | 33 Ų | 33 | 74 Ų | 74 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 118.5 | -177.3 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | P678 L687 V688 | P678-V681 HydrophobicContact CB-CG2 3.81Å; P678-V681 HydrophobicContact CG-CG2 3.64Å; V681-L687 WeakPolarHBondContact O-CA 2.97Å; V681-V688 HydrophobicContact CB-CB 4.43Å; V681-V688 PolarHBondContact N-O 3.01Å; V681-V688 PolarHBondContact O-N 2.98Å |
| 682 | V | 87.8 | Confident | 80 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126 | 170 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | W661 V668 S670 L687 | W661-V682 HydrophobicContact CG-CG1 4.31Å; V668-V682 HydrophobicContact CB-CG2 4.3Å; V668-V682 HydrophobicContact CG1-CG2 3.95Å; S670-V682 PolarHBondContact OG-N 3.09Å; S670-V682 VanDerWaalsContact OG-N 3.09Å; V682-L687 HydrophobicContact CG2-CD1 3.96Å |
| 683 | S | 86.1 | Confident | 81.4 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 57% | 0.573 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 78.1 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | A685 L686 | S683-A685 PolarHBondContact O-N 2.82Å; S683-L686 PolarHBondContact N-O 3.02Å; S683-L686 PolarHBondContact O-N 3.18Å; S683-L686 VanDerWaalsContact O-N 3.14Å |
| 684 | G | 89.6 | Confident | 82.9 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -118.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y659 W661 L686 | Y659-G684 WeakPolarHBondContact CB-O 3.16Å; W661-G684 PolarHBondContact NE1-O 2.85Å; G684-L686 PolarHBondContact O-N 2.79Å; G684-L686 VanDerWaalsContact O-N 3.16Å |
| 685 | A | 90.7 | Very high | 84.4 | Confident | 14 Ų | 14 | 58 Ų | 58 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -6.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | G648 Y659 W661 S683 | G648-A685 PolarHBondContact N-O 2.97Å; Y659-A685 HydrophobicContact CD1-CB 4.11Å; Y659-A685 HydrophobicContact CD2-CB 4.15Å; Y659-A685 HydrophobicContact CE1-CB 3.83Å; Y659-A685 HydrophobicContact CE2-CB 3.89Å; Y659-A685 HydrophobicContact CG-CB 4.25Å; W661-A685 WeakPolarHBondContact CZ2-O 3.21Å; S683-A685 PolarHBondContact O-N 2.82Å |
| 686 | L | 93.5 | Very high | 85.9 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.7 | -177.5 | -58.6 | -179.4 | 0 | 0 | 0 | 111.8 | T645 N647 S683 G684 | T645-L686 HydrophobicContact CG2-CD2 4.3Å; N647-L686 HydrophobicContact CB-CD2 3.84Å; S683-L686 PolarHBondContact N-O 3.02Å; S683-L686 PolarHBondContact O-N 3.18Å; S683-L686 VanDerWaalsContact O-N 3.14Å; G684-L686 PolarHBondContact O-N 2.79Å; G684-L686 VanDerWaalsContact O-N 3.16Å |
| 687 | L | 92.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.3 | 168.3 | 165.1 | 55.6 | 0 | 0 | 0 | 109.1 | T645 L646 W661 V668 V680 V681 V682 I689 Y700 | T645-L687 WeakPolarHBondContact CA-O 3.5Å; L646-L687 HydrophobicContact CB-CB 4.36Å; L646-L687 HydrophobicContact CD1-CD2 4.2Å; L646-L687 PolarHBondContact N-O 3.47Å; L646-L687 PolarHBondContact O-N 3.45Å; W661-L687 HydrophobicContact CD2-CB 3.72Å; W661-L687 HydrophobicContact CD2-CD2 3.91Å; W661-L687 HydrophobicContact CD2-CG 4.48Å; W661-L687 HydrophobicContact CE3-CB 3.95Å; W661-L687 HydrophobicContact CE3-CD2 3.55Å; W661-L687 HydrophobicContact CE3-CG 4.41Å; W661-L687 HydrophobicContact CG-CB 4.29Å; W661-L687 HydrophobicContact CG-CD2 4.37Å; W661-L687 HydrophobicContact CH2-CB 4.01Å; W661-L687 HydrophobicContact CZ2-CB 3.77Å; W661-L687 HydrophobicContact CZ3-CB 4.09Å; W661-L687 HydrophobicContact CZ3-CD2 4.02Å; V668-L687 HydrophobicContact CG1-CD1 4.06Å; V668-L687 HydrophobicContact CG1-CD2 4.33Å; V668-L687 HydrophobicContact CG2-CD2 4.29Å; V680-L687 HydrophobicContact CG1-CD1 3.6Å; V681-L687 WeakPolarHBondContact O-CA 2.97Å; V682-L687 HydrophobicContact CG2-CD1 3.96Å; L687-I689 HydrophobicContact CD1-CG1 4.39Å; L687-Y700 HydrophobicContact CD2-CD1 3.43Å; L687-Y700 VanDerWaalsContact CD2-CD1 3.43Å; L687-Y700 HydrophobicContact CD2-CE1 3.82Å; L687-Y700 HydrophobicContact CD2-CG 4.33Å |
| 688 | V | 91.2 | Very high | 88.4 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132 | 178.8 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | T643 V644 T645 V680 V681 | T643-V688 HydrophobicContact CG2-CG1 3.74Å; V644-V688 CarbonylContact O-C 3.56Å; V644-V688 WeakPolarHBondContact O-CA 3.29Å; T645-V688 HydrophobicContact CG2-CG2 4.04Å; V680-V688 CarbonylContact C-O 3.54Å; V680-V688 WeakPolarHBondContact CA-O 3.33Å; V681-V688 HydrophobicContact CB-CB 4.43Å; V681-V688 PolarHBondContact N-O 3.01Å; V681-V688 PolarHBondContact O-N 2.98Å |
| 689 | I | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 111 | 170.3 | -53.3 | 169.8 | 0 | 0 | 0 | 107.2 | T643 V644 K679 V680 L687 I692 H696 Y700 | T643-I689 CarbonylContact C-O 3.56Å; T643-I689 WeakPolarHBondContact CA-O 3.3Å; V644-I689 HydrophobicContact CG1-CB 3.67Å; V644-I689 HydrophobicContact CG1-CD1 4.1Å; V644-I689 HydrophobicContact CG1-CG1 4.18Å; V644-I689 PolarHBondContact N-O 3.26Å; V644-I689 PolarHBondContact O-N 2.97Å; K679-I689 CarbonylContact O-C 3.55Å; K679-I689 WeakPolarHBondContact O-CA 3.48Å; V680-I689 HydrophobicContact CG1-CG1 4.42Å; V680-I689 HydrophobicContact CG2-CG1 4.37Å; V680-I689 HydrophobicContact CG2-CG2 4.34Å; L687-I689 HydrophobicContact CD1-CG1 4.39Å; I689-I692 HydrophobicContact CG2-CB 4.37Å; I689-I692 HydrophobicContact CG2-CG1 4.3Å; I689-H696 HydrophobicContact CD1-CB 4.46Å; I689-H696 VanDerWaalsContact CG2-CD2 3.4Å; I689-H696 WeakPolarHBondContact CG2-CD2 3.44Å; I689-Y700 HydrophobicContact CD1-CE1 4.16Å; I689-Y700 HydrophobicContact CD1-CE2 4.44Å; I689-Y700 WeakPolarHBondContact CD1-OH 3.42Å |
| 690 | N | 85.6 | Confident | 89.8 | Confident | 52 Ų | 52 | 44 Ų | 44 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -82.2 | 143.7 | 174 | -62.3 | -51.7 | 0 | 0 | 0 | 109.7 | T643 P678 K679 I692 | T643-N690 VanDerWaalsContact CG2-OD1 3.27Å; T643-N690 WeakPolarHBondContact CG2-OD1 3.4Å; T643-N690 PolarHBondContact OG1-OD1 3.33Å; P678-N690 PolarHBondContact O-ND2 2.85Å; K679-N690 WeakPolarHBondContact CE-O 3.18Å; K679-N690 VanDerWaalsContact CG-O 3.31Å; K679-N690 WeakPolarHBondContact CG-O 3.34Å; K679-N690 PolarHBondContact O-N 2.96Å; N690-I692 PolarHBondContact O-N 3.11Å |
| 691 | E | 87 | Confident | 90 | Very high | 121 Ų | 121 | 44.2 Ų | 44.2 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 51.1 | 56.9 | 177.8 | -60.7 | 176.4 | -173.9 | 0 | 0 | 112.8 | E642 K679 D693 | E642-E691 PolarHBondContact O-N 3.44Å; K679-E691 WeakPolarHBondContact CE-O 3.46Å; K679-E691 PolarHBondContact NZ-O 3.29Å; E691-D693 PolarHBondContact O-N 3.05Å |
| 692 | I | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -57.5 | 133 | -174.6 | -164 | 177 | 0 | 0 | 0 | 111.7 | V638 L639 E640 N641 E642 V644 I689 N690 H696 V717 V719 | V638-I692 HydrophobicContact CB-CD1 4.34Å; V638-I692 HydrophobicContact CB-CG2 4.45Å; V638-I692 HydrophobicContact CG1-CG2 3.86Å; L639-I692 WeakPolarHBondContact O-CG2 3.45Å; E640-I692 WeakPolarHBondContact CA-O 3.1Å; N641-I692 PolarHBondContact N-O 2.84Å; E642-I692 VanDerWaalsContact O-CG2 3.32Å; E642-I692 WeakPolarHBondContact O-CG2 3.32Å; E642-I692 PolarHBondContact O-N 3.02Å; V644-I692 HydrophobicContact CG1-CD1 3.81Å; I689-I692 HydrophobicContact CG2-CB 4.37Å; I689-I692 HydrophobicContact CG2-CG1 4.3Å; N690-I692 PolarHBondContact O-N 3.11Å; I692-H696 HydrophobicContact CD1-CB 4.24Å; I692-H696 HydrophobicContact CG1-CB 3.65Å; I692-V717 HydrophobicContact CD1-CG1 3.8Å; I692-V719 HydrophobicContact CD1-CG2 3.65Å; I692-V719 HydrophobicContact CG1-CG2 3.95Å | ||
| 693 | D | 89.6 | Confident | 90.6 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | trans | -119.4 | 170.8 | 176.1 | 67.4 | 47.9 | 0 | 0 | 0 | 111.9 | K679 E691 A695 H696 | K679-D693 IonicContact NZ-OD2 3.06Å; K679-D693 PolarHBondContact NZ-OD2 2.85Å; E691-D693 PolarHBondContact O-N 3.05Å; D693-A695 PolarHBondContact O-N 2.8Å; D693-A695 WeakPolarHBondContact OD1-CA 3.41Å; D693-A695 VanDerWaalsContact OD1-CB 3.32Å; D693-A695 WeakPolarHBondContact OD1-CB 3.16Å; D693-A695 PolarHBondContact OD1-N 3.25Å; D693-H696 VanDerWaalsContact CG-CE1 3.5Å; D693-H696 WeakPolarHBondContact O-CB 3.33Å; D693-H696 PolarHBondContact O-N 3Å; D693-H696 IonicContact OD1-CE1 3.78Å; D693-H696 PolarHBondContact OD1-CE1 2.92Å; D693-H696 IonicContact OD1-CG 3.6Å; D693-H696 PolarHBondContact OD1-N 2.72Å; D693-H696 IonicContact OD1-ND1 2.96Å; D693-H696 PolarHBondContact OD1-ND1 3.24Å; D693-H696 IonicContact OD2-CE1 3.76Å; D693-H696 PolarHBondContact OD2-CE1 3.45Å; D693-H696 IonicContact OD2-ND1 2.65Å; D693-H696 PolarHBondContact OD2-ND1 2.77Å | ||
| 694 | R | 88.9 | Confident | 90.9 | Very high | 134 Ų | 134 | 40.7 Ų | 40.7 | 51% | 0.506 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -53.5 | -25.5 | -178.9 | -65.1 | -178.3 | -70.1 | 174.8 | -1.3 | 114.9 | E640 Y721 D747 | E640-R694 WeakPolarHBondContact OE1-CG 3.28Å; E640-R694 IonicContact OE1-NE 2.67Å; R694-Y721 VanDerWaalsContact CD-CE1 3.45Å; R694-Y721 HydrophobicContact CG-CD1 3.92Å; R694-Y721 HydrophobicContact CG-CE1 3.97Å; R694-D747 IonicContact NH1-OD2 3.92Å; R694-D747 PolarHBondContact NH1-OD2 2.82Å |
| 695 | A | 87.1 | Confident | 91.1 | Very high | 80 Ų | 80 | 43 Ų | 43 | 66% | 0.661 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -80.6 | -14.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D693 A697 | D693-A695 PolarHBondContact O-N 2.8Å; D693-A695 WeakPolarHBondContact OD1-CA 3.41Å; D693-A695 VanDerWaalsContact OD1-CB 3.32Å; D693-A695 WeakPolarHBondContact OD1-CB 3.16Å; D693-A695 PolarHBondContact OD1-N 3.25Å; A695-A697 VanDerWaalsContact C-N 3.32Å |
| 696 | H | 90.9 | Very high | 91.2 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -82 | -8.9 | 176.1 | -64.9 | 75.8 | 0 | 0 | 0 | 113 | K663 K679 I689 I692 D693 Y700 | K663-H696 WeakPolarHBondContact CE-O 3.38Å; K679-H696 VanDerWaalsContact CE-CE1 3.43Å; K679-H696 WeakPolarHBondContact CE-CE1 3.4Å; I689-H696 HydrophobicContact CD1-CB 4.46Å; I689-H696 VanDerWaalsContact CG2-CD2 3.4Å; I689-H696 WeakPolarHBondContact CG2-CD2 3.44Å; I692-H696 HydrophobicContact CD1-CB 4.24Å; I692-H696 HydrophobicContact CG1-CB 3.65Å; D693-H696 VanDerWaalsContact CG-CE1 3.5Å; D693-H696 WeakPolarHBondContact O-CB 3.33Å; D693-H696 PolarHBondContact O-N 3Å; D693-H696 IonicContact OD1-CE1 3.78Å; D693-H696 PolarHBondContact OD1-CE1 2.92Å; D693-H696 IonicContact OD1-CG 3.6Å; D693-H696 PolarHBondContact OD1-N 2.72Å; D693-H696 IonicContact OD1-ND1 2.96Å; D693-H696 PolarHBondContact OD1-ND1 3.24Å; D693-H696 IonicContact OD2-CE1 3.76Å; D693-H696 PolarHBondContact OD2-CE1 3.45Å; D693-H696 IonicContact OD2-ND1 2.65Å; D693-H696 PolarHBondContact OD2-ND1 2.77Å; H696-Y700 VanDerWaalsContact O-CE2 3.29Å; H696-Y700 WeakPolarHBondContact O-CE2 3.49Å; H696-Y700 PolarHBondContact O-OH 2.85Å |
| 697 | A | 89.7 | Confident | 91 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | trans | -59.8 | 144.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K663 A695 V717 V719 | K663-A697 WeakPolarHBondContact CE-O 3.29Å; K663-A697 PolarHBondContact NZ-O 3.09Å; A695-A697 VanDerWaalsContact C-N 3.32Å; A697-V717 VanDerWaalsContact CA-O 3.3Å; A697-V717 WeakPolarHBondContact CA-O 3.24Å; A697-V719 HydrophobicContact CB-CG2 4.23Å | ||
| 698 | G | 91.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.9 | -174.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | V717 | G698-V717 PolarHBondContact N-O 3.02Å; G698-V717 PolarHBondContact O-N 3.45Å |
| 699 | H | 93.1 | Very high | 90.7 | Very high | 93 Ų | 93 | 46 Ų | 46 | 43% | 0.431 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.4 | -177.9 | -61.3 | 84.2 | 0 | 0 | 0 | 110.7 | K663 D664 T714 F715 | K663-H699 CarbonylContact C-O 3.59Å; K663-H699 WeakPolarHBondContact CA-O 3.24Å; D664-H699 PolarHBondContact N-O 2.84Å; D664-H699 PolarHBondContact OD1-N 3.33Å; D664-H699 IonicContact OD1-ND1 3.77Å; H699-T714 HydrophobicContact CB-CG2 4.14Å; H699-F715 CarbonylContact C-O 3.25Å; H699-F715 WeakPolarHBondContact CA-O 3.15Å |
| 700 | Y | 93.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.4 | 176.7 | -69.5 | -95.3 | 0 | 0 | 0 | 110.2 | L646 L662 K663 V668 L687 I689 H696 T714 F715 V717 | L646-Y700 HydrophobicContact CD1-CD1 4.19Å; L646-Y700 HydrophobicContact CD1-CD2 3.95Å; L646-Y700 HydrophobicContact CD1-CG 3.65Å; L662-Y700 CarbonylContact O-C 3.56Å; L662-Y700 VanDerWaalsContact O-CA 3.24Å; L662-Y700 WeakPolarHBondContact O-CA 3.36Å; K663-Y700 HydrophobicContact CB-CD1 3.87Å; K663-Y700 HydrophobicContact CB-CE1 3.7Å; K663-Y700 HydrophobicContact CD-CE1 3.85Å; K663-Y700 HydrophobicContact CD-CE2 4.27Å; K663-Y700 WeakPolarHBondContact CD-OH 3.46Å; K663-Y700 VanDerWaalsContact CE-OH 3.22Å; K663-Y700 WeakPolarHBondContact CE-OH 3.35Å; K663-Y700 HydrophobicContact CG-CD1 4.1Å; K663-Y700 HydrophobicContact CG-CE1 3.7Å; K663-Y700 HydrophobicContact CG-CE2 4.12Å; V668-Y700 HydrophobicContact CG2-CD1 4.21Å; V668-Y700 HydrophobicContact CG2-CE1 4.32Å; L687-Y700 HydrophobicContact CD2-CD1 3.43Å; L687-Y700 VanDerWaalsContact CD2-CD1 3.43Å; L687-Y700 HydrophobicContact CD2-CE1 3.82Å; L687-Y700 HydrophobicContact CD2-CG 4.33Å; I689-Y700 HydrophobicContact CD1-CE1 4.16Å; I689-Y700 HydrophobicContact CD1-CE2 4.44Å; I689-Y700 WeakPolarHBondContact CD1-OH 3.42Å; H696-Y700 VanDerWaalsContact O-CE2 3.29Å; H696-Y700 WeakPolarHBondContact O-CE2 3.49Å; H696-Y700 PolarHBondContact O-OH 2.85Å; Y700-T714 CarbonylContact O-C 3.59Å; Y700-T714 VanDerWaalsContact O-CA 3.3Å; Y700-T714 WeakPolarHBondContact O-CA 3.42Å; Y700-F715 PolarHBondContact N-O 3.3Å; Y700-F715 WeakPolarHBondContact O-CD2 3.46Å; Y700-F715 PolarHBondContact O-N 2.77Å; Y700-V717 HydrophobicContact CD2-CB 4.17Å; Y700-V717 HydrophobicContact CD2-CG2 3.66Å; Y700-V717 HydrophobicContact CE2-CB 4.09Å; Y700-V717 HydrophobicContact CE2-CG2 3.95Å |
| 701 | S | 92.9 | Very high | 91 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.4 | 175.5 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | W661 L662 I713 T714 | W661-S701 CarbonylContact C-O 3.5Å; W661-S701 WeakPolarHBondContact CA-O 3.49Å; L662-S701 PolarHBondContact N-O 3.4Å; L662-S701 PolarHBondContact O-N 2.91Å; S701-I713 CarbonylContact C-O 3.53Å; S701-I713 VanDerWaalsContact CA-O 3.22Å; S701-I713 WeakPolarHBondContact CA-O 3.45Å; S701-T714 PolarHBondContact OG-OG1 2.88Å |
| 702 | C | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.1 | 169.3 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | F628 W661 V712 I713 F715 | F628-C702 WeakPolarHBondContact CZ-O 3.45Å; W661-C702 HydrophobicContact CD2-CB 3.86Å; W661-C702 VanDerWaalsContact CE2-SG 3.53Å; W661-C702 HydrophobicContact CE3-CB 3.81Å; W661-C702 HydrophobicContact CH2-CB 3.71Å; W661-C702 HydrophobicContact CZ2-CB 3.74Å; W661-C702 HydrophobicContact CZ3-CB 3.74Å; C702-V712 WeakPolarHBondContact O-CA 3.05Å; C702-I713 HydrophobicContact CB-CG2 3.92Å; C702-I713 PolarHBondContact N-O 3.03Å; C702-I713 PolarHBondContact O-N 3.47Å; C702-F715 HydrophobicContact CB-CE2 4.44Å |
| 703 | K | 92.9 | Very high | 91.3 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.2 | 176.2 | 173.5 | 176.8 | 156 | -145.7 | 0 | 109.2 | Y659 E660 T711 V712 | Y659-K703 CarbonylContact C-O 3.54Å; Y659-K703 WeakPolarHBondContact CA-O 3.48Å; E660-K703 HydrophobicContact CB-CB 4.3Å; E660-K703 PolarHBondContact N-O 2.98Å; E660-K703 PolarHBondContact O-N 2.94Å; E660-K703 WeakPolarHBondContact OE2-CD 3.37Å; E660-K703 IonicContact OE2-NZ 2.75Å; E660-K703 PolarHBondContact OE2-NZ 2.84Å; K703-T711 CarbonylContact C-O 3.45Å; K703-T711 VanDerWaalsContact CA-O 3.3Å; K703-T711 WeakPolarHBondContact CA-O 3.02Å; K703-V712 HydrophobicContact CB-CG2 3.97Å; K703-V712 HydrophobicContact CD-CG2 4.42Å; K703-V712 HydrophobicContact CG-CG2 4.01Å |
| 704 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P626 F628 A650 I657 T658 Y659 S710 T711 | P626-A704 HydrophobicContact CB-CB 3.86Å; P626-A704 HydrophobicContact CG-CB 4.29Å; F628-A704 HydrophobicContact CE1-CB 3.88Å; F628-A704 HydrophobicContact CE2-CB 4.41Å; F628-A704 HydrophobicContact CZ-CB 3.57Å; A650-A704 HydrophobicContact CB-CB 3.9Å; I657-A704 HydrophobicContact CG2-CB 3.81Å; T658-A704 CarbonylContact O-C 3.58Å; T658-A704 WeakPolarHBondContact O-CA 3.33Å; Y659-A704 HydrophobicContact CD1-CB 3.97Å; Y659-A704 HydrophobicContact CE1-CB 3.73Å; A704-S710 CarbonylContact O-C 3.56Å; A704-S710 WeakPolarHBondContact O-CA 3.26Å; A704-T711 PolarHBondContact N-O 2.9Å; A704-T711 PolarHBondContact O-N 2.9Å |
| 705 | H | 92.7 | Very high | 91.6 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 40% | 0.398 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.3 | -177.3 | 173.2 | 48 | 0 | 0 | 0 | 112.7 | I657 T658 G709 S710 | I657-H705 CarbonylContact C-O 3.52Å; I657-H705 WeakPolarHBondContact CA-O 3.39Å; T658-H705 PolarHBondContact N-O 2.88Å; T658-H705 PolarHBondContact O-N 2.84Å; T658-H705 PolarHBondContact OG1-O 2.87Å; H705-G709 WeakPolarHBondContact CA-O 3.27Å; H705-G709 PolarHBondContact ND1-O 3.46Å; H705-S710 WeakPolarHBondContact CB-OG 3.42Å; H705-S710 PolarHBondContact ND1-OG 2.94Å; H705-S710 VanDerWaalsContact ND1-OG 3.16Å |
| 706 | N | 93.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | -176.5 | 165.4 | 78.7 | 0.1 | 0 | 0 | 0 | 110.5 | Y624 P626 P654 F656 I657 E708 G709 | Y624-N706 PolarHBondContact O-ND2 3.41Å; P626-N706 HydrophobicContact CG-CB 4Å; P654-N706 HydrophobicContact CG-CB 4.44Å; P654-N706 PolarHBondContact O-ND2 3.26Å; P654-N706 VanDerWaalsContact O-ND2 3.08Å; F656-N706 WeakPolarHBondContact O-CB 3.12Å; I657-N706 HydrophobicContact CG1-CB 4.31Å; N706-E708 PolarHBondContact O-N 2.76Å; N706-E708 VanDerWaalsContact O-N 3.07Å; N706-E708 PolarHBondContact OD1-N 2.72Å; N706-G709 PolarHBondContact N-O 2.78Å; N706-G709 PolarHBondContact O-N 2.75Å; N706-G709 VanDerWaalsContact O-N 3.13Å; N706-G709 PolarHBondContact OD1-N 3.02Å |
| 707 | A | 88.4 | Confident | 91.9 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P654 | P654-A707 HydrophobicContact CG-CB 3.99Š|
| 708 | E | 89.1 | Confident | 92 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -13 | -178.7 | -54.4 | -65 | 144 | 0 | 0 | 112.8 | R538 R623 N706 | R538-E708 IonicContact NE-OE2 3.67Å; R623-E708 HydrophobicContact CB-CG 3.84Å; R623-E708 WeakPolarHBondContact CD-OE1 3.27Å; R623-E708 IonicContact NH1-OE1 3.57Å; N706-E708 PolarHBondContact O-N 2.76Å; N706-E708 VanDerWaalsContact O-N 3.07Å; N706-E708 PolarHBondContact OD1-N 2.72Å |
| 709 | G | 89.3 | Confident | 92.1 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 24% | 0.237 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | -169.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H705 N706 | H705-G709 WeakPolarHBondContact CA-O 3.27Å; H705-G709 PolarHBondContact ND1-O 3.46Å; N706-G709 PolarHBondContact N-O 2.78Å; N706-G709 PolarHBondContact O-N 2.75Å; N706-G709 VanDerWaalsContact O-N 3.13Å; N706-G709 PolarHBondContact OD1-N 3.02Å |
| 710 | S | 90.7 | Very high | 91.9 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 43% | 0.434 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | 173.3 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | A704 H705 | A704-S710 CarbonylContact O-C 3.56Å; A704-S710 WeakPolarHBondContact O-CA 3.26Å; H705-S710 WeakPolarHBondContact CB-OG 3.42Å; H705-S710 PolarHBondContact ND1-OG 2.94Å; H705-S710 VanDerWaalsContact ND1-OG 3.16Å |
| 711 | T | 91.9 | Very high | 91.8 | Very high | 45 Ų | 45 | 39 Ų | 39 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 161.5 | 171.4 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | P626 F628 K703 A704 | P626-T711 WeakPolarHBondContact O-CB 3.43Å; P626-T711 WeakPolarHBondContact O-CG2 3.35Å; P626-T711 PolarHBondContact O-OG1 2.83Å; F628-T711 VanDerWaalsContact CE2-OG1 3.3Å; F628-T711 WeakPolarHBondContact CE2-OG1 3.5Å; K703-T711 CarbonylContact C-O 3.45Å; K703-T711 VanDerWaalsContact CA-O 3.3Å; K703-T711 WeakPolarHBondContact CA-O 3.02Å; A704-T711 PolarHBondContact N-O 2.9Å; A704-T711 PolarHBondContact O-N 2.9Å |
| 712 | V | 92.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 52% | 0.521 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.9 | -178.4 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | F628 C702 K703 | F628-V712 VanDerWaalsContact CE2-C 3.5Å; C702-V712 WeakPolarHBondContact O-CA 3.05Å; K703-V712 HydrophobicContact CB-CG2 3.97Å; K703-V712 HydrophobicContact CD-CG2 4.42Å; K703-V712 HydrophobicContact CG-CG2 4.01Å |
| 713 | I | 91.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.4 | 167.1 | -173.6 | 166.3 | 0 | 0 | 0 | 110.3 | F628 L630 S701 C702 F715 | F628-I713 HydrophobicContact CB-CD1 4.24Å; F628-I713 HydrophobicContact CD1-CB 4.15Å; F628-I713 HydrophobicContact CD1-CG2 3.57Å; F628-I713 HydrophobicContact CD2-CB 3.8Å; F628-I713 HydrophobicContact CD2-CG2 4.08Å; F628-I713 HydrophobicContact CE1-CB 4.26Å; F628-I713 HydrophobicContact CE1-CG2 3.46Å; F628-I713 VanDerWaalsContact CE1-CG2 3.46Å; F628-I713 HydrophobicContact CE2-CB 3.92Å; F628-I713 HydrophobicContact CE2-CG2 3.99Å; F628-I713 HydrophobicContact CG-CB 3.92Å; F628-I713 HydrophobicContact CG-CD1 4.4Å; F628-I713 HydrophobicContact CG-CG2 3.89Å; F628-I713 HydrophobicContact CZ-CB 4.15Å; F628-I713 HydrophobicContact CZ-CG2 3.68Å; L630-I713 HydrophobicContact CB-CD1 3.38Å; L630-I713 HydrophobicContact CD1-CD1 3.93Å; L630-I713 HydrophobicContact CG-CD1 4.31Å; S701-I713 CarbonylContact C-O 3.53Å; S701-I713 VanDerWaalsContact CA-O 3.22Å; S701-I713 WeakPolarHBondContact CA-O 3.45Å; C702-I713 HydrophobicContact CB-CG2 3.92Å; C702-I713 PolarHBondContact N-O 3.03Å; C702-I713 PolarHBondContact O-N 3.47Å; I713-F715 HydrophobicContact CD1-CZ 4.26Å; I713-F715 HydrophobicContact CG1-CE2 4.47Å; I713-F715 HydrophobicContact CG1-CZ 4.41Å; I713-F715 HydrophobicContact CG2-CE2 3.84Å; I713-F715 HydrophobicContact CG2-CZ 4.13Å |
| 714 | T | 91.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 41 Ų | 41 | 23% | 0.233 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.2 | -178.7 | -59 | 0 | 0 | 0 | 0 | 112 | P633 Q634 H699 Y700 S701 | P633-T714 CarbonylContact C-O 3.6Å; P633-T714 WeakPolarHBondContact CA-O 3.28Å; Q634-T714 PolarHBondContact N-O 3.03Å; H699-T714 HydrophobicContact CB-CG2 4.14Å; Y700-T714 CarbonylContact O-C 3.59Å; Y700-T714 VanDerWaalsContact O-CA 3.3Å; Y700-T714 WeakPolarHBondContact O-CA 3.42Å; S701-T714 PolarHBondContact OG-OG1 2.88Å |
| 715 | F | 93.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 41 Ų | 41 | 4% | 0.044 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.1 | 176.7 | -54.1 | -95 | 0 | 0 | 0 | 109.3 | L630 Q634 L646 N647 W661 H699 Y700 C702 I713 | L630-F715 HydrophobicContact CD1-CE1 4.13Å; L630-F715 HydrophobicContact CD1-CZ 4.47Å; Q634-F715 HydrophobicContact CB-CD1 3.81Å; Q634-F715 HydrophobicContact CB-CE1 4.29Å; Q634-F715 HydrophobicContact CG-CD1 4.25Å; Q634-F715 HydrophobicContact CG-CE1 4.23Å; Q634-F715 CarbonylContact O-C 3.56Å; Q634-F715 VanDerWaalsContact O-CA 3.26Å; Q634-F715 WeakPolarHBondContact O-CA 3.5Å; L646-F715 HydrophobicContact CB-CD2 4.41Å; L646-F715 HydrophobicContact CB-CG 4.48Å; L646-F715 HydrophobicContact CD1-CB 4.16Å; L646-F715 HydrophobicContact CD1-CD2 4.43Å; L646-F715 HydrophobicContact CD1-CG 4.34Å; L646-F715 HydrophobicContact CD2-CB 4.12Å; L646-F715 HydrophobicContact CD2-CD1 4.15Å; L646-F715 HydrophobicContact CD2-CG 4.14Å; N647-F715 WeakPolarHBondContact O-CZ 3.48Å; W661-F715 HydrophobicContact CH2-CD2 4.05Å; W661-F715 AromaticContact CH2-CE2 3.58Å; W661-F715 HydrophobicContact CH2-CE2 3.58Å; W661-F715 HydrophobicContact CH2-CZ 4.34Å; W661-F715 AromaticContact CZ3-CD2 3.81Å; W661-F715 HydrophobicContact CZ3-CD2 3.81Å; W661-F715 AromaticContact CZ3-CE2 3.78Å; W661-F715 HydrophobicContact CZ3-CE2 3.78Å; H699-F715 CarbonylContact C-O 3.25Å; H699-F715 WeakPolarHBondContact CA-O 3.15Å; Y700-F715 PolarHBondContact N-O 3.3Å; Y700-F715 WeakPolarHBondContact O-CD2 3.46Å; Y700-F715 PolarHBondContact O-N 2.77Å; C702-F715 HydrophobicContact CB-CE2 4.44Å; I713-F715 HydrophobicContact CD1-CZ 4.26Å; I713-F715 HydrophobicContact CG1-CE2 4.47Å; I713-F715 HydrophobicContact CG1-CZ 4.41Å; I713-F715 HydrophobicContact CG2-CE2 3.84Å; I713-F715 HydrophobicContact CG2-CZ 4.13Å |
| 716 | N | 92.3 | Very high | 91.7 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 104.7 | 171.5 | 177.6 | 5.3 | 0 | 0 | 0 | 109.1 | Q634 Q635 L636 | Q634-N716 PolarHBondContact O-N 3.43Å; Q635-N716 WeakPolarHBondContact CA-O 3.48Å; Q635-N716 HydrophobicContact CG-CB 4.44Å; L636-N716 PolarHBondContact N-O 3.37Å |
| 717 | V | 91.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122 | -177.4 | 180 | 0 | 0 | 0 | 0 | 110.2 | L646 I692 A697 G698 Y700 | L646-V717 HydrophobicContact CD1-CG2 4.04Å; L646-V717 HydrophobicContact CD2-CG2 3.99Å; I692-V717 HydrophobicContact CD1-CG1 3.8Å; A697-V717 VanDerWaalsContact CA-O 3.3Å; A697-V717 WeakPolarHBondContact CA-O 3.24Å; G698-V717 PolarHBondContact N-O 3.02Å; G698-V717 PolarHBondContact O-N 3.45Å; Y700-V717 HydrophobicContact CD2-CB 4.17Å; Y700-V717 HydrophobicContact CD2-CG2 3.66Å; Y700-V717 HydrophobicContact CE2-CB 4.09Å; Y700-V717 HydrophobicContact CE2-CG2 3.95Å |
| 718 | V | 92.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.7 | -177.9 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | L636 T637 V638 F749 | L636-V718 PolarHBondContact O-N 2.8Å; T637-V718 WeakPolarHBondContact CA-O 3.29Å; T637-V718 HydrophobicContact CG2-CB 4.16Å; T637-V718 HydrophobicContact CG2-CG1 4.43Å; V638-V718 PolarHBondContact N-O 3.18Å; V718-F749 HydrophobicContact CG1-CD1 4.45Å; V718-F749 HydrophobicContact CG1-CE1 3.52Å; V718-F749 HydrophobicContact CG1-CZ 4.09Å |
| 719 | V | 91.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.2 | -177.2 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | V638 E640 I692 A697 F749 | V638-V719 CarbonylContact O-C 3.51Å; V638-V719 WeakPolarHBondContact O-CA 3.24Å; E640-V719 HydrophobicContact CB-CG1 4.13Å; I692-V719 HydrophobicContact CD1-CG2 3.65Å; I692-V719 HydrophobicContact CG1-CG2 3.95Å; A697-V719 HydrophobicContact CB-CG2 4.23Å; V719-F749 VanDerWaalsContact O-CD1 3.31Å; V719-F749 WeakPolarHBondContact O-CD1 3.5Å |
| 720 | R | 90.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.8 | 179.2 | -64.8 | 178.8 | 64.5 | -179.6 | -0.1 | 110.6 | V638 L639 E640 F749 I800 | V638-R720 PolarHBondContact O-N 3.45Å; L639-R720 CarbonylContact C-O 3.57Å; L639-R720 WeakPolarHBondContact CA-O 3.19Å; L639-R720 HydrophobicContact CD2-CB 4.09Å; E640-R720 PolarHBondContact N-O 2.85Å; R720-F749 WeakPolarHBondContact CA-O 3.13Å; R720-F749 WeakPolarHBondContact CB-O 3.42Å; R720-F749 HydrophobicContact CG-CD1 3.97Å; R720-F749 HydrophobicContact CG-CE1 4.27Å; R720-I800 HydrophobicContact CB-CD1 3.77Å |
| 721 | Y | 90.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.4 | -175.6 | 53.7 | -87.6 | 0 | 0 | 0 | 111.9 | R694 D747 A748 F749 N798 | R694-Y721 VanDerWaalsContact CD-CE1 3.45Å; R694-Y721 HydrophobicContact CG-CD1 3.92Å; R694-Y721 HydrophobicContact CG-CE1 3.97Å; Y721-D747 PolarHBondContact OH-OD1 2.82Å; Y721-A748 VanDerWaalsContact CE2-C 3.46Å; Y721-A748 VanDerWaalsContact CE2-CA 3.4Å; Y721-F749 HydrophobicContact CD1-CB 3.71Å; Y721-F749 HydrophobicContact CE1-CB 3.23Å; Y721-F749 HydrophobicContact CE1-CG 4.33Å; Y721-F749 HydrophobicContact CE2-CB 4.32Å; Y721-F749 HydrophobicContact CG-CB 4.42Å; Y721-F749 PolarHBondContact N-O 2.91Å; Y721-F749 PolarHBondContact O-N 2.92Å; Y721-N798 PolarHBondContact O-ND2 3.19Å |
| 722 | S | 91.1 | Very high | 92.5 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 152.4 | -179.9 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | D724 N798 I800 | S722-D724 PolarHBondContact O-N 3.42Å; S722-N798 WeakPolarHBondContact CA-OD1 3.28Å; S722-I800 WeakPolarHBondContact CB-O 3.35Å |
| 723 | A | 92.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 120.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D747 A748 M755 A796 N798 N804 | A723-D747 CarbonylContact C-O 3.47Å; A723-D747 VanDerWaalsContact CA-O 3.31Å; A723-D747 WeakPolarHBondContact CA-O 3.49Å; A723-A748 HydrophobicContact CB-CB 3.79Å; A723-M755 HydrophobicContact CB-SD 4.5Å; A723-A796 HydrophobicContact CB-CB 4.01Å; A723-N798 HydrophobicContact CB-CB 4.42Å; A723-N798 PolarHBondContact N-OD1 2.83Å; A723-N804 WeakPolarHBondContact O-CB 3.25Å |
| 724 | D | 92 | Very high | 92.4 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.8 | 172.5 | -178.2 | 44.5 | 0 | 0 | 0 | 111.8 | S722 V726 A746 D747 N804 | S722-D724 PolarHBondContact O-N 3.42Å; D724-V726 PolarHBondContact O-N 2.83Å; D724-A746 CarbonylContact O-C 3.53Å; D724-A746 WeakPolarHBondContact O-CA 3.36Å; D724-A746 VanDerWaalsContact O-CB 3.23Å; D724-A746 WeakPolarHBondContact O-CB 3.49Å; D724-D747 PolarHBondContact N-O 3.32Å; D724-D747 PolarHBondContact O-N 3.32Å; D724-N804 PolarHBondContact OD1-ND2 2.85Å |
| 725 | I | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 100.5 | -178.9 | -60.3 | 172.2 | 0 | 0 | 0 | 109.4 | Y727 D745 A796 N804 K806 | I725-Y727 WeakPolarHBondContact CG2-O 3.41Å; I725-D745 CarbonylContact C-O 3.59Å; I725-D745 WeakPolarHBondContact CA-O 3.25Å; I725-A796 HydrophobicContact CD1-CB 4.16Å; I725-A796 HydrophobicContact CG1-CB 3.59Å; I725-N804 HydrophobicContact CD1-CB 4.3Å; I725-N804 HydrophobicContact CG1-CB 4.2Å; I725-N804 PolarHBondContact N-ND2 2.86Å; I725-K806 HydrophobicContact CB-CD 4Å; I725-K806 HydrophobicContact CD1-CB 4.18Å; I725-K806 HydrophobicContact CD1-CG 4.17Å; I725-K806 HydrophobicContact CG2-CD 3.85Å; I725-K806 HydrophobicContact CG2-CG 4.49Å; I725-K806 PolarHBondContact O-NZ 3.05Å |
| 726 | V | 93.1 | Very high | 92 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 61% | 0.606 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -37.3 | -179.8 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | D724 D745 D747 | D724-V726 PolarHBondContact O-N 2.83Å; V726-D745 PolarHBondContact N-O 3.44Å; V726-D747 HydrophobicContact CG2-CB 3.76Å |
| 727 | Y | 94.9 | Very high | 91.7 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 148.7 | -176.3 | 172.8 | -110.8 | 0 | 0 | 0 | 112.8 | I725 E743 C744 D745 | I725-Y727 WeakPolarHBondContact CG2-O 3.41Å; Y727-E743 HydrophobicContact CE1-CB 4.08Å; Y727-C744 WeakPolarHBondContact O-CA 3.5Å; Y727-D745 PolarHBondContact N-O 2.02Å; Y727-D745 PolarHBondContact O-N 2.92Å |
| 728 | I | 95.5 | Very high | 91.8 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 140.6 | 171.9 | -169 | 172.8 | 0 | 0 | 0 | 110.1 | E743 C744 W758 C794 K806 T808 | I728-E743 CarbonylContact C-O 3.6Å; I728-E743 WeakPolarHBondContact CA-O 3.49Å; I728-C744 HydrophobicContact CG1-CB 4.44Å; I728-W758 HydrophobicContact CD1-CH2 3.79Å; I728-W758 HydrophobicContact CD1-CZ3 4.14Å; I728-W758 HydrophobicContact CG1-CH2 3.74Å; I728-W758 HydrophobicContact CG1-CZ2 4.46Å; I728-C794 HydrophobicContact CD1-CB 3.91Å; I728-K806 HydrophobicContact CD1-CB 3.83Å; I728-K806 HydrophobicContact CG2-CB 4.41Å; I728-K806 HydrophobicContact CG2-CD 4.45Å; I728-T808 HydrophobicContact CD1-CG2 4.37Å; I728-T808 HydrophobicContact CG1-CG2 4.4Å |
| 729 | S | 94.7 | Very high | 91.7 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 12% | 0.119 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 147.1 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | E743 T808 | S729-E743 PolarHBondContact N-O 2.82Å; S729-E743 PolarHBondContact OG-N 2.91Å; S729-E743 PolarHBondContact OG-O 3.23Å; S729-T808 WeakPolarHBondContact O-CB 3.29Å; S729-T808 PolarHBondContact O-OG1 2.89Å |
| 730 | Q | 92.8 | Very high | 91.9 | Very high | 168 Ų | 168 | 62.3 Ų | 62.3 | 79% | 0.785 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 164.1 | 172.1 | -61.9 | -172 | 33.8 | 0 | 0 | 112 | A732 T808 | Q730-A732 PolarHBondContact O-N 2.79Å; Q730-T808 PolarHBondContact O-OG1 2.81Å |
| 731 | P | 91.1 | Very high | 92 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 131.2 | 174 | -30.8 | 39 | 0 | 0 | 0 | 113.5 | W809 | P731-W809 CarbonylContact C-O 3.53Å; P731-W809 WeakPolarHBondContact CA-O 3.34Å; P731-W809 HydrophobicContact CB-CB 4.12Å; P731-W809 HydrophobicContact CG-CB 4.49Å |
| 732 | A | 91.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q730 V734 V740 W809 V811 | Q730-A732 PolarHBondContact O-N 2.79Å; A732-V734 HydrophobicContact CB-CG2 4.24Å; A732-V740 HydrophobicContact CB-CG2 3.56Å; A732-W809 PolarHBondContact N-O 2.9Å; A732-V811 PolarHBondContact O-N 3.33Å |
| 733 | M | 89.6 | Confident | 92.5 | Very high | 116 Ų | 116 | 60.2 Ų | 60.2 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 131 | 168.6 | -61.9 | -67.2 | -59.5 | 0 | 0 | 108.6 | V811 A844 | M733-V811 WeakPolarHBondContact CA-O 3.41Å; M733-V811 HydrophobicContact CE-CB 4.29Å; M733-V811 HydrophobicContact CE-CG1 3.63Å; M733-V811 HydrophobicContact SD-CB 3.54Å; M733-V811 VanDerWaalsContact SD-CB 3.54Å; M733-V811 HydrophobicContact SD-CG1 3.43Å; M733-V811 WeakPolarHBondContact SD-CG1 3.35Å; M733-V811 HydrophobicContact SD-CG2 4.11Å; M733-A844 HydrophobicContact CE-CB 4.42Å |
| 734 | V | 91.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 147.3 | -169 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | A732 E738 V740 A784 I810 V811 V812 S813 | A732-V734 HydrophobicContact CB-CG2 4.24Å; V734-E738 HydrophobicContact CG1-CB 3.51Å; V734-V740 HydrophobicContact CG2-CB 3.9Å; V734-V740 HydrophobicContact CG2-CG1 4.32Å; V734-V740 HydrophobicContact CG2-CG2 3.97Å; V734-A784 HydrophobicContact CG1-CB 3.77Å; V734-I810 HydrophobicContact CG2-CG2 4.32Å; V734-V811 PolarHBondContact N-O 2.62Å; V734-V812 CarbonylContact O-C 3.58Å; V734-V812 VanDerWaalsContact O-CA 3.24Å; V734-V812 WeakPolarHBondContact O-CA 3.18Å; V734-S813 PolarHBondContact O-N 2.79Å |
| 735 | T | 89.5 | Confident | 92.8 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 160.7 | 170.7 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | G737 E738 | T735-G737 PolarHBondContact O-N 3.39Å; T735-G737 VanDerWaalsContact O-N 3.16Å; T735-E738 WeakPolarHBondContact CB-OE2 3.44Å; T735-E738 PolarHBondContact N-OE2 2.96Å; T735-E738 PolarHBondContact O-N 3Å; T735-E738 VanDerWaalsContact O-N 3.16Å; T735-E738 WeakPolarHBondContact OG1-CG 3.09Å; T735-E738 PolarHBondContact OG1-OE2 2.83Å |
| 736 | V | 87.5 | Confident | 92.8 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 121.6 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | A784 I786 V812 | V736-A784 CarbonylContact C-O 3.45Å; V736-A784 WeakPolarHBondContact CA-O 3.14Å; V736-I786 HydrophobicContact CG2-CG1 3.95Å; V736-V812 HydrophobicContact CB-CG1 4.42Å; V736-V812 HydrophobicContact CG2-CG1 3.68Å |
| 737 | G | 87 | Confident | 92.8 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -13.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T735 A784 | T735-G737 PolarHBondContact O-N 3.39Å; T735-G737 VanDerWaalsContact O-N 3.16Å; G737-A784 PolarHBondContact N-O 2.77Å |
| 738 | E | 92.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | trans | -73.7 | 160.6 | 174.3 | -77.8 | 177.7 | 139.9 | 0 | 0 | 112.4 | V734 T735 A784 | V734-E738 HydrophobicContact CG1-CB 3.51Å; T735-E738 WeakPolarHBondContact CB-OE2 3.44Å; T735-E738 PolarHBondContact N-OE2 2.96Å; T735-E738 PolarHBondContact O-N 3Å; T735-E738 VanDerWaalsContact O-N 3.16Å; T735-E738 WeakPolarHBondContact OG1-CG 3.09Å; T735-E738 PolarHBondContact OG1-OE2 2.83Å; E738-A784 WeakPolarHBondContact O-CB 3.44Å; E738-A784 PolarHBondContact O-N 2.82Å | ||
| 739 | S | 91.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 51% | 0.51 | 31% | 0.306 | S | S | . | . | trans | -98.6 | 154.5 | 176 | 67 | 0 | 0 | 0 | 0 | 112.4 | L781 N782 | S739-L781 CarbonylContact C-O 3.58Å; S739-L781 WeakPolarHBondContact CA-O 3.49Å; S739-L781 VanDerWaalsContact CB-O 3.24Å; S739-L781 WeakPolarHBondContact CB-O 3.45Å; S739-N782 WeakPolarHBondContact CB-O 3.23Å | ||
| 740 | V | 94.4 | Very high | 92 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 143.6 | -177.9 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | A732 V734 H780 L781 I810 | A732-V740 HydrophobicContact CB-CG2 3.56Å; V734-V740 HydrophobicContact CG2-CB 3.9Å; V734-V740 HydrophobicContact CG2-CG1 4.32Å; V734-V740 HydrophobicContact CG2-CG2 3.97Å; V740-H780 WeakPolarHBondContact O-CA 3.36Å; V740-H780 PolarHBondContact O-ND1 2.88Å; V740-H780 VanDerWaalsContact O-ND1 3.16Å; V740-L781 HydrophobicContact CG1-CB 3.77Å; V740-L781 HydrophobicContact CG1-CD1 4.42Å; V740-L781 PolarHBondContact N-O 2.87Å; V740-L781 PolarHBondContact O-N 2.85Å; V740-I810 HydrophobicContact CG1-CD1 3.68Å; V740-I810 HydrophobicContact CG1-CG1 4.17Å; V740-I810 HydrophobicContact CG1-CG2 4.14Å; V740-I810 HydrophobicContact CG2-CD1 4.42Å; V740-I810 HydrophobicContact CG2-CG1 4.26Å |
| 741 | T | 94.2 | Very high | 91.9 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.6 | 176.1 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | E743 L779 H780 | T741-E743 HydrophobicContact CG2-CG 4.49Å; T741-L779 CarbonylContact C-O 3.6Å; T741-L779 VanDerWaalsContact CA-O 3.29Å; T741-L779 WeakPolarHBondContact CA-O 3.44Å; T741-H780 PolarHBondContact OG1-ND1 2.84Å |
| 742 | L | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.9 | 166.7 | -56.9 | 175.7 | 0 | 0 | 0 | 109.5 | W758 T778 L779 F792 T808 I810 | L742-W758 HydrophobicContact CB-CH2 3.91Å; L742-W758 HydrophobicContact CB-CZ2 3.7Å; L742-W758 HydrophobicContact CD1-CH2 4.26Å; L742-W758 HydrophobicContact CD1-CZ3 4.3Å; L742-T778 CarbonylContact O-C 3.59Å; L742-T778 WeakPolarHBondContact O-CA 3.32Å; L742-L779 HydrophobicContact CB-CB 4.42Å; L742-L779 HydrophobicContact CD1-CD2 4.47Å; L742-L779 PolarHBondContact N-O 2.82Å; L742-L779 PolarHBondContact O-N 2.77Å; L742-F792 HydrophobicContact CD1-CB 3.94Å; L742-F792 HydrophobicContact CD1-CD2 4.26Å; L742-F792 HydrophobicContact CD1-CG 4.21Å; L742-T808 HydrophobicContact CD1-CG2 3.63Å; L742-T808 HydrophobicContact CD2-CG2 3.81Å; L742-T808 HydrophobicContact CG-CG2 4.19Å; L742-I810 HydrophobicContact CD1-CD1 3.89Å; L742-I810 HydrophobicContact CD1-CG1 3.99Å; L742-I810 HydrophobicContact CD2-CG1 4.35Å; L742-I810 HydrophobicContact CG-CD1 4.2Å; L742-I810 HydrophobicContact CG-CG1 4.28Å |
| 743 | E | 95.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.8 | 179.9 | -52.7 | -170.8 | 137.9 | 0 | 0 | 110.2 | Y727 I728 S729 T741 T778 | Y727-E743 HydrophobicContact CE1-CB 4.08Å; I728-E743 CarbonylContact C-O 3.6Å; I728-E743 WeakPolarHBondContact CA-O 3.49Å; S729-E743 PolarHBondContact N-O 2.82Å; S729-E743 PolarHBondContact OG-N 2.91Å; S729-E743 PolarHBondContact OG-O 3.23Å; T741-E743 HydrophobicContact CG2-CG 4.49Å; E743-T778 HydrophobicContact CB-CG2 4.48Å; E743-T778 HydrophobicContact CG-CG2 4.06Å |
| 744 | C | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 128.6 | 176.5 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | Y727 I728 T756 W758 R776 A777 C794 | Y727-C744 WeakPolarHBondContact O-CA 3.5Å; I728-C744 HydrophobicContact CG1-CB 4.44Å; C744-T756 HydrophobicContact CB-CG2 4.23Å; C744-W758 HydrophobicContact CB-CH2 4.26Å; C744-W758 HydrophobicContact CB-CZ2 3.59Å; C744-R776 CarbonylContact O-C 3.47Å; C744-R776 WeakPolarHBondContact O-CA 3.43Å; C744-A777 PolarHBondContact N-O 3.14Å; C744-A777 PolarHBondContact O-N 2.97Å; C744-C794 HydrophobicContact CB-CB 3.66Å; C744-C794 WeakPolarHBondContact CB-SG 3.3Å; C744-C794 WeakPolarHBondContact SG-CB 3.35Å; C744-C794 CovalentContact SG-SG 2.02Å; C744-C794 PolarHBondContact SG-SG 3.42Å |
| 745 | D | 94.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.5 | -178.1 | -58.8 | -17.6 | 0 | 0 | 0 | 110.8 | I725 V726 Y727 R776 | I725-D745 CarbonylContact C-O 3.59Å; I725-D745 WeakPolarHBondContact CA-O 3.25Å; V726-D745 PolarHBondContact N-O 3.44Å; Y727-D745 PolarHBondContact N-O 2.02Å; Y727-D745 PolarHBondContact O-N 2.92Å; D745-R776 VanDerWaalsContact OD1-CB 3.23Å; D745-R776 WeakPolarHBondContact OD1-CB 3.4Å; D745-R776 WeakPolarHBondContact OD1-CD 3.46Å; D745-R776 WeakPolarHBondContact OD1-CG 3.24Å; D745-R776 IonicContact OD1-CZ 2.65Å; D745-R776 IonicContact OD1-NE 2.94Å; D745-R776 PolarHBondContact OD1-NE 3.14Å; D745-R776 IonicContact OD1-NH2 2.78Å; D745-R776 IonicContact OD2-CZ 3.21Å; D745-R776 IonicContact OD2-NE 3.32Å; D745-R776 PolarHBondContact OD2-NE 3.47Å; D745-R776 IonicContact OD2-NH2 2.72Å; D745-R776 PolarHBondContact OD2-NH2 2.9Å |
| 746 | A | 94.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D724 M755 G775 A796 | D724-A746 CarbonylContact O-C 3.53Å; D724-A746 WeakPolarHBondContact O-CA 3.36Å; D724-A746 VanDerWaalsContact O-CB 3.23Å; D724-A746 WeakPolarHBondContact O-CB 3.49Å; A746-M755 HydrophobicContact CB-CE 4.06Å; A746-M755 WeakPolarHBondContact O-CE 3.41Å; A746-G775 PolarHBondContact N-O 3.17Å; A746-A796 HydrophobicContact CB-CB 3.59Å |
| 747 | D | 91.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 135.6 | 172.1 | -177.8 | 29.1 | 0 | 0 | 0 | 109.6 | R694 Y721 A723 D724 V726 | R694-D747 IonicContact NH1-OD2 3.92Å; R694-D747 PolarHBondContact NH1-OD2 2.82Å; Y721-D747 PolarHBondContact OH-OD1 2.82Å; A723-D747 CarbonylContact C-O 3.47Å; A723-D747 VanDerWaalsContact CA-O 3.31Å; A723-D747 WeakPolarHBondContact CA-O 3.49Å; D724-D747 PolarHBondContact N-O 3.32Å; D724-D747 PolarHBondContact O-N 3.32Å; V726-D747 HydrophobicContact CG2-CB 3.76Å |
| 748 | A | 90.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 150.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y721 A723 V751 M755 N798 | Y721-A748 VanDerWaalsContact CE2-C 3.46Å; Y721-A748 VanDerWaalsContact CE2-CA 3.4Å; A723-A748 HydrophobicContact CB-CB 3.79Å; A748-V751 VanDerWaalsContact O-CG2 3.23Å; A748-V751 WeakPolarHBondContact O-CG2 3.44Å; A748-M755 HydrophobicContact CB-CE 3.56Å; A748-M755 HydrophobicContact CB-SD 3.57Å; A748-M755 VanDerWaalsContact CB-SD 3.57Å; A748-N798 HydrophobicContact CB-CB 4Å |
| 749 | F | 89 | Confident | 91.8 | Very high | 89 Ų | 89 | 49 Ų | 49 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 119.1 | 166.8 | -167.8 | -94.1 | 0 | 0 | 0 | 112.8 | V718 V719 R720 Y721 N798 I800 | V718-F749 HydrophobicContact CG1-CD1 4.45Å; V718-F749 HydrophobicContact CG1-CE1 3.52Å; V718-F749 HydrophobicContact CG1-CZ 4.09Å; V719-F749 VanDerWaalsContact O-CD1 3.31Å; V719-F749 WeakPolarHBondContact O-CD1 3.5Å; R720-F749 WeakPolarHBondContact CA-O 3.13Å; R720-F749 WeakPolarHBondContact CB-O 3.42Å; R720-F749 HydrophobicContact CG-CD1 3.97Å; R720-F749 HydrophobicContact CG-CE1 4.27Å; Y721-F749 HydrophobicContact CD1-CB 3.71Å; Y721-F749 HydrophobicContact CE1-CB 3.23Å; Y721-F749 HydrophobicContact CE1-CG 4.33Å; Y721-F749 HydrophobicContact CE2-CB 4.32Å; Y721-F749 HydrophobicContact CG-CB 4.42Å; Y721-F749 PolarHBondContact N-O 2.91Å; Y721-F749 PolarHBondContact O-N 2.92Å; F749-N798 PolarHBondContact O-ND2 3.31Å; F749-I800 WeakPolarHBondContact O-CD1 3.47Å |
| 750 | P | 90.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | S | Bend | cis | -70.9 | 154.4 | 0.4 | 31.1 | -35.9 | 0 | 0 | 0 | 112.2 | V752 N798 | P750-V752 HydrophobicContact CB-CG1 4.34Å; P750-V752 HydrophobicContact CG-CG1 4.01Å; P750-N798 WeakPolarHBondContact O-CB 3.38Å; P750-N798 PolarHBondContact O-ND2 3.43Å; P750-N798 VanDerWaalsContact O-ND2 3.08Å |
| 751 | V | 89.4 | Confident | 91 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | trans | -78.8 | 119.5 | 161.6 | -179.3 | 0 | 0 | 0 | 0 | 107 | A748 M755 K774 | A748-V751 VanDerWaalsContact O-CG2 3.23Å; A748-V751 WeakPolarHBondContact O-CG2 3.44Å; V751-M755 HydrophobicContact CG1-CE 4.37Å; V751-M755 HydrophobicContact CG1-SD 4.28Å; V751-K774 HydrophobicContact CG1-CB 4.33Å | ||
| 752 | V | 89.2 | Confident | 90.2 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | trans | -112 | 154.7 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | P750 Q754 M755 N798 | P750-V752 HydrophobicContact CB-CG1 4.34Å; P750-V752 HydrophobicContact CG-CG1 4.01Å; V752-Q754 PolarHBondContact O-N 2.92Å; V752-M755 HydrophobicContact CG2-CB 3.61Å; V752-M755 WeakPolarHBondContact O-CB 3.39Å; V752-M755 PolarHBondContact O-N 2.92Å; V752-N798 HydrophobicContact CG2-CB 4.13Å | ||
| 753 | D | 84.9 | Confident | 89.8 | Confident | 159 Ų | 159 | 58 Ų | 58 | 85% | 0.85 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 137 | 179.3 | -71.3 | -31 | 0 | 0 | 0 | 111 | M755 | D753-M755 PolarHBondContact O-N 2.58Å; D753-M755 VanDerWaalsContact O-N 3.13Å |
| 754 | Q | 85.6 | Confident | 89.4 | Confident | 127 Ų | 127 | 59.6 Ų | 59.6 | 59% | 0.593 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 24.5 | -178.8 | -50.6 | -177 | 3.3 | 0 | 0 | 114.6 | V752 T756 Y772 | V752-Q754 PolarHBondContact O-N 2.92Å; Q754-T756 PolarHBondContact O-N 2.84Å; Q754-Y772 HydrophobicContact CB-CD1 4.04Å; Q754-Y772 HydrophobicContact CB-CE1 4.08Å; Q754-Y772 HydrophobicContact CB-CG 4.4Å; Q754-Y772 HydrophobicContact CG-CD1 3.99Å; Q754-Y772 HydrophobicContact CG-CD2 3.95Å; Q754-Y772 HydrophobicContact CG-CE1 4.21Å; Q754-Y772 HydrophobicContact CG-CE2 4.18Å; Q754-Y772 HydrophobicContact CG-CG 3.85Å |
| 755 | M | 90.3 | Very high | 89 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | trans | -59.4 | -29.4 | 178.2 | 78.2 | 172.5 | -167.1 | 0 | 0 | 113.5 | A723 A746 A748 V751 V752 D753 G775 A796 H797 N798 | A723-M755 HydrophobicContact CB-SD 4.5Å; A746-M755 HydrophobicContact CB-CE 4.06Å; A746-M755 WeakPolarHBondContact O-CE 3.41Å; A748-M755 HydrophobicContact CB-CE 3.56Å; A748-M755 HydrophobicContact CB-SD 3.57Å; A748-M755 VanDerWaalsContact CB-SD 3.57Å; V751-M755 HydrophobicContact CG1-CE 4.37Å; V751-M755 HydrophobicContact CG1-SD 4.28Å; V752-M755 HydrophobicContact CG2-CB 3.61Å; V752-M755 WeakPolarHBondContact O-CB 3.39Å; V752-M755 PolarHBondContact O-N 2.92Å; D753-M755 PolarHBondContact O-N 2.58Å; D753-M755 VanDerWaalsContact O-N 3.13Å; M755-G775 VanDerWaalsContact CE-CA 3.42Å; M755-A796 CarbonylContact O-C 3.58Å; M755-A796 WeakPolarHBondContact O-CA 3.49Å; M755-H797 WeakPolarHBondContact CB-O 3.49Å; M755-H797 PolarHBondContact O-N 2.77Å; M755-N798 HydrophobicContact SD-CB 4.07Å | ||
| 756 | T | 91.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.3 | 175.9 | -47 | 0 | 0 | 0 | 0 | 108 | C744 Q754 Y772 G775 A777 C794 I795 | C744-T756 HydrophobicContact CB-CG2 4.23Å; Q754-T756 PolarHBondContact O-N 2.84Å; T756-Y772 WeakPolarHBondContact O-CD1 3.36Å; T756-Y772 WeakPolarHBondContact O-CE1 3.5Å; T756-G775 PolarHBondContact OG1-O 2.74Å; T756-A777 HydrophobicContact CG2-CB 3.73Å; T756-A777 WeakPolarHBondContact O-CB 3.45Å; T756-C794 WeakPolarHBondContact CG2-SG 3.34Å; T756-I795 CarbonylContact C-O 3.56Å; T756-I795 WeakPolarHBondContact CA-O 3.48Å |
| 757 | N | 92 | Very high | 88.3 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.8 | -179.1 | -162.9 | -6 | 0 | 0 | 0 | 112 | Y772 C794 I795 | N757-Y772 HydrophobicContact CB-CE1 4.13Å; N757-Y772 PolarHBondContact ND2-OH 3.19Å; N757-Y772 PolarHBondContact OD1-OH 2.87Å; N757-Y772 VanDerWaalsContact OD1-OH 3.07Å; N757-C794 CarbonylContact O-C 3.51Å; N757-C794 WeakPolarHBondContact O-CA 3.35Å; N757-I795 PolarHBondContact N-O 2.96Å; N757-I795 PolarHBondContact O-N 2.9Å |
| 758 | W | 94.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 2% | 0.019 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.2 | 178.1 | -71.6 | 101.1 | 0 | 0 | 0 | 112.1 | I728 L742 C744 M765 I770 A777 L779 F792 T793 C794 T808 | I728-W758 HydrophobicContact CD1-CH2 3.79Å; I728-W758 HydrophobicContact CD1-CZ3 4.14Å; I728-W758 HydrophobicContact CG1-CH2 3.74Å; I728-W758 HydrophobicContact CG1-CZ2 4.46Å; L742-W758 HydrophobicContact CB-CH2 3.91Å; L742-W758 HydrophobicContact CB-CZ2 3.7Å; L742-W758 HydrophobicContact CD1-CH2 4.26Å; L742-W758 HydrophobicContact CD1-CZ3 4.3Å; C744-W758 HydrophobicContact CB-CH2 4.26Å; C744-W758 HydrophobicContact CB-CZ2 3.59Å; W758-M765 HydrophobicContact CB-CE 4.18Å; W758-M765 WeakPolarHBondContact O-CE 3.26Å; W758-I770 HydrophobicContact CB-CD1 4.37Å; W758-A777 PolarHBondContact NE1-O 2.94Å; W758-L779 HydrophobicContact CB-CB 4.32Å; W758-L779 HydrophobicContact CB-CD1 3.66Å; W758-L779 HydrophobicContact CD2-CB 4.23Å; W758-L779 HydrophobicContact CD2-CD1 4.41Å; W758-L779 HydrophobicContact CG-CB 3.83Å; W758-L779 HydrophobicContact CG-CD1 3.96Å; W758-F792 HydrophobicContact CE3-CB 3.88Å; W758-F792 HydrophobicContact CZ3-CB 4Å; W758-T793 CarbonylContact C-O 3.53Å; W758-T793 WeakPolarHBondContact CA-O 3.25Å; W758-C794 HydrophobicContact CD2-CB 4.27Å; W758-C794 HydrophobicContact CE3-CB 3.96Å; W758-C794 HydrophobicContact CH2-CB 4Å; W758-C794 HydrophobicContact CZ2-CB 4.27Å; W758-C794 HydrophobicContact CZ3-CB 3.82Å; W758-T808 HydrophobicContact CH2-CG2 3.71Å; W758-T808 HydrophobicContact CZ3-CG2 3.89Å |
| 759 | N | 92.3 | Very high | 88.2 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 143.5 | 177.6 | -168.2 | -14.6 | 0 | 0 | 0 | 111.9 | T793 I795 | N759-T793 PolarHBondContact N-O 3.21Å; N759-T793 WeakPolarHBondContact O-CB 3.01Å; N759-T793 PolarHBondContact O-N 2.92Å; N759-T793 PolarHBondContact O-OG1 3.09Å; N759-I795 HydrophobicContact CB-CD1 4.09Å |
| 760 | R | 89.8 | Confident | 88.3 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | trans | -138.5 | 124.9 | 170.3 | 175.9 | 177.4 | 158.4 | -170.2 | -9.7 | 109.7 | Y763 M765 E787 D788 S789 A791 F792 | R760-Y763 HydrophobicContact CB-CD1 4.35Å; R760-Y763 HydrophobicContact CB-CG 4.43Å; R760-Y763 HydrophobicContact CG-CG 4.27Å; R760-Y763 PolarHBondContact O-N 2.81Å; R760-M765 HydrophobicContact CB-SD 4.22Å; R760-E787 PolarHBondContact NH2-O 2.96Å; R760-D788 VanDerWaalsContact NH1-C 3.35Å; R760-D788 PolarHBondContact NH1-O 3.49Å; R760-S789 PolarHBondContact NH1-O 3.19Å; R760-S789 PolarHBondContact NH2-O 3.34Å; R760-A791 WeakPolarHBondContact CG-O 3.4Å; R760-F792 HydrophobicContact CB-CD1 3.93Å; R760-F792 HydrophobicContact CB-CE1 4.07Å | ||
| 761 | S | 79.2 | Confident | 88.4 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 70% | 0.699 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 135.9 | 178.9 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | Y763 | S761-Y763 PolarHBondContact O-N 3.01Š|
| 762 | N | 77.4 | Confident | 88.5 | Confident | 179 Ų | 179 | 68.8 Ų | 68.8 | 96% | 0.957 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 23.5 | 179.4 | -55.2 | -14 | 0 | 0 | 0 | 114.7 | ||
| 763 | Y | 87.1 | Confident | 88.3 | Confident | 27 Ų | 27 | 69.7 Ų | 69.7 | 11% | 0.106 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -114.4 | 139.6 | 173.5 | 174.8 | -100.4 | 0 | 0 | 0 | 109.7 | R760 S761 M765 R767 D788 F792 | R760-Y763 HydrophobicContact CB-CD1 4.35Å; R760-Y763 HydrophobicContact CB-CG 4.43Å; R760-Y763 HydrophobicContact CG-CG 4.27Å; R760-Y763 PolarHBondContact O-N 2.81Å; S761-Y763 PolarHBondContact O-N 3.01Å; Y763-M765 HydrophobicContact CD1-CG 4.34Å; Y763-M765 HydrophobicContact CD1-SD 3.7Å; Y763-M765 HydrophobicContact CE1-SD 4.14Å; Y763-M765 PolarHBondContact O-N 2.88Å; Y763-R767 WeakPolarHBondContact OH-CB 3.24Å; Y763-D788 HydrophobicContact CE2-CB 4.42Å; Y763-D788 VanDerWaalsContact CE2-OD1 3.27Å; Y763-D788 WeakPolarHBondContact CE2-OD1 3.44Å; Y763-D788 PolarHBondContact OH-OD1 3.44Å; Y763-F792 AromaticContact CD1-CE1 3.8Å; Y763-F792 HydrophobicContact CD1-CE1 3.8Å; Y763-F792 HydrophobicContact CD1-CZ 4.08Å; Y763-F792 AromaticContact CE1-CE1 3.61Å; Y763-F792 HydrophobicContact CE1-CE1 3.61Å; Y763-F792 AromaticContact CE1-CZ 3.73Å; Y763-F792 HydrophobicContact CE1-CZ 3.73Å; Y763-F792 HydrophobicContact CE2-CZ 4.47Å; Y763-F792 AromaticContact CZ-CZ 3.94Å |
| 764 | N | 86.3 | Confident | 88.3 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | trans | -76.8 | 93.1 | 175.6 | -176.7 | 14.5 | 0 | 0 | 0 | 110.2 | S766 R767 | N764-S766 PolarHBondContact ND2-OG 3.41Å; N764-S766 PolarHBondContact O-N 2.87Å; N764-S766 WeakPolarHBondContact OD1-CB 2.98Å; N764-S766 PolarHBondContact OD1-N 2.88Å; N764-S766 VanDerWaalsContact OD1-N 3.11Å; N764-S766 PolarHBondContact OD1-OG 3Å; N764-S766 VanDerWaalsContact OD1-OG 3.1Å; N764-R767 PolarHBondContact O-N 2.64Å | ||
| 765 | M | 88 | Confident | 88.3 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -56.6 | -18.4 | 177.8 | -68.5 | -63.1 | -57.4 | 0 | 0 | 113.4 | W758 R760 Y763 R767 A768 I770 L779 F792 | W758-M765 HydrophobicContact CB-CE 4.18Å; W758-M765 WeakPolarHBondContact O-CE 3.26Å; R760-M765 HydrophobicContact CB-SD 4.22Å; Y763-M765 HydrophobicContact CD1-CG 4.34Å; Y763-M765 HydrophobicContact CD1-SD 3.7Å; Y763-M765 HydrophobicContact CE1-SD 4.14Å; Y763-M765 PolarHBondContact O-N 2.88Å; M765-R767 PolarHBondContact O-N 2.87Å; M765-A768 PolarHBondContact O-N 2.88Å; M765-I770 HydrophobicContact CE-CD1 3.71Å; M765-I770 HydrophobicContact CE-CG1 4.43Å; M765-L779 HydrophobicContact CE-CD1 3.75Å; M765-F792 HydrophobicContact SD-CD1 4.31Å; M765-F792 HydrophobicContact SD-CE1 4.08Å |
| 766 | S | 86.4 | Confident | 88.5 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 69% | 0.692 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -69 | -9.5 | 175.7 | 89 | 0 | 0 | 0 | 0 | 114.5 | N764 A768 | N764-S766 PolarHBondContact ND2-OG 3.41Å; N764-S766 PolarHBondContact O-N 2.87Å; N764-S766 WeakPolarHBondContact OD1-CB 2.98Å; N764-S766 PolarHBondContact OD1-N 2.88Å; N764-S766 VanDerWaalsContact OD1-N 3.11Å; N764-S766 PolarHBondContact OD1-OG 3Å; N764-S766 VanDerWaalsContact OD1-OG 3.1Å; S766-A768 VanDerWaalsContact C-N 3.27Å |
| 767 | R | 89.2 | Confident | 88.6 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 41% | 0.408 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -72.5 | -21.1 | 168.2 | -75.9 | -177.8 | 62.9 | 98.6 | 5.8 | 112.7 | Y763 N764 M765 L781 Q783 D785 D788 | Y763-R767 WeakPolarHBondContact OH-CB 3.24Å; N764-R767 PolarHBondContact O-N 2.64Å; M765-R767 PolarHBondContact O-N 2.87Å; R767-L781 HydrophobicContact CB-CD2 4.22Å; R767-L781 WeakPolarHBondContact O-CD2 3.39Å; R767-Q783 PolarHBondContact NH2-O 3.16Å; R767-D785 VanDerWaalsContact NH2-CB 3.25Å; R767-D788 IonicContact CZ-OD1 2.75Å; R767-D788 IonicContact CZ-OD2 3.83Å; R767-D788 IonicContact NE-OD1 3.63Å; R767-D788 PolarHBondContact NE-OD1 2.87Å; R767-D788 IonicContact NE-OD2 2.65Å; R767-D788 PolarHBondContact NE-OD2 3.16Å; R767-D788 IonicContact NH2-OD1 3.73Å; R767-D788 PolarHBondContact NH2-OD1 2.8Å; R767-D788 IonicContact NH2-OD2 3.21Å; R767-D788 PolarHBondContact NH2-OD2 2.65Å |
| 768 | A | 88.7 | Confident | 88.7 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -112.1 | 137.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M765 S766 L779 H780 L781 | M765-A768 PolarHBondContact O-N 2.88Å; S766-A768 VanDerWaalsContact C-N 3.27Å; A768-L779 HydrophobicContact CB-CD1 4.21Å; A768-L779 HydrophobicContact CB-CD2 3.82Å; A768-L779 HydrophobicContact CB-CG 3.78Å; A768-H780 CarbonylContact C-O 3.59Å; A768-H780 VanDerWaalsContact CA-O 3.31Å; A768-H780 WeakPolarHBondContact CA-O 3.36Å; A768-L781 HydrophobicContact CB-CD1 4.48Å; A768-L781 HydrophobicContact CB-CD2 4.48Å; A768-L781 HydrophobicContact CB-CG 3.97Å |
| 769 | V | 90.9 | Very high | 88.7 | Confident | 96 Ų | 96 | 68.6 Ų | 68.6 | 58% | 0.582 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.6 | 173.8 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | H780 | V769-H780 PolarHBondContact N-O 2.78Å; V769-H780 PolarHBondContact O-N 3.3Å |
| 770 | I | 91.2 | Very high | 88.8 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.8 | 177.1 | -51.9 | 177.4 | 0 | 0 | 0 | 109.3 | W758 M765 Y772 T778 | W758-I770 HydrophobicContact CB-CD1 4.37Å; M765-I770 HydrophobicContact CE-CD1 3.71Å; M765-I770 HydrophobicContact CE-CG1 4.43Å; I770-Y772 HydrophobicContact CB-CE2 4.34Å; I770-Y772 HydrophobicContact CG2-CD1 4.34Å; I770-Y772 HydrophobicContact CG2-CE1 3.71Å; I770-Y772 HydrophobicContact CG2-CE2 3.96Å; I770-T778 CarbonylContact C-O 3.58Å; I770-T778 VanDerWaalsContact CA-O 3.25Å; I770-T778 WeakPolarHBondContact CA-O 3.4Å; I770-T778 WeakPolarHBondContact CG2-O 3.39Å |
| 771 | G | 91.7 | Very high | 89 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A777 T778 | G771-A777 CarbonylContact O-C 3.58Å; G771-A777 WeakPolarHBondContact O-CA 3.2Å; G771-T778 PolarHBondContact N-O 3.32Å; G771-T778 PolarHBondContact O-N 2.87Å |
| 772 | Y | 91.5 | Very high | 89.4 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135 | 175.9 | -53.7 | -84 | 0 | 0 | 0 | 110.3 | Q754 T756 N757 I770 A777 | Q754-Y772 HydrophobicContact CB-CD1 4.04Å; Q754-Y772 HydrophobicContact CB-CE1 4.08Å; Q754-Y772 HydrophobicContact CB-CG 4.4Å; Q754-Y772 HydrophobicContact CG-CD1 3.99Å; Q754-Y772 HydrophobicContact CG-CD2 3.95Å; Q754-Y772 HydrophobicContact CG-CE1 4.21Å; Q754-Y772 HydrophobicContact CG-CE2 4.18Å; Q754-Y772 HydrophobicContact CG-CG 3.85Å; T756-Y772 WeakPolarHBondContact O-CD1 3.36Å; T756-Y772 WeakPolarHBondContact O-CE1 3.5Å; N757-Y772 HydrophobicContact CB-CE1 4.13Å; N757-Y772 PolarHBondContact ND2-OH 3.19Å; N757-Y772 PolarHBondContact OD1-OH 2.87Å; N757-Y772 VanDerWaalsContact OD1-OH 3.07Å; I770-Y772 HydrophobicContact CB-CE2 4.34Å; I770-Y772 HydrophobicContact CG2-CD1 4.34Å; I770-Y772 HydrophobicContact CG2-CE1 3.71Å; I770-Y772 HydrophobicContact CG2-CE2 3.96Å; Y772-A777 HydrophobicContact CD1-CB 4.42Å |
| 773 | S | 86.7 | Confident | 90.1 | Very high | 75 Ų | 75 | 64 Ų | 64 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | -178.8 | 165 | 65.2 | 0 | 0 | 0 | 0 | 109.5 | G775 R776 | S773-G775 PolarHBondContact O-N 3Å; S773-R776 PolarHBondContact N-O 2.75Å; S773-R776 PolarHBondContact O-N 3.21Å; S773-R776 VanDerWaalsContact O-O 3.11Å; S773-R776 WeakPolarHBondContact OG-CB 3.44Å |
| 774 | K | 84.2 | Confident | 90.2 | Very high | 197 Ų | 197 | 62.9 Ų | 62.9 | 86% | 0.857 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 102.8 | -171.4 | -68.8 | -172.8 | 177.9 | -175.8 | 0 | 111.3 | V751 R776 | V751-K774 HydrophobicContact CG1-CB 4.33Å; K774-R776 PolarHBondContact O-N 3.22Å |
| 775 | G | 85.7 | Confident | 90.4 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -2.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | A746 M755 T756 S773 | A746-G775 PolarHBondContact N-O 3.17Å; M755-G775 VanDerWaalsContact CE-CA 3.42Å; T756-G775 PolarHBondContact OG1-O 2.74Å; S773-G775 PolarHBondContact O-N 3Å |
| 776 | R | 93.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 62.7 Ų | 62.7 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.3 | -175.3 | 165.3 | 176.3 | -66.8 | -173.2 | 0.8 | 111.6 | C744 D745 S773 K774 T778 | C744-R776 CarbonylContact O-C 3.47Å; C744-R776 WeakPolarHBondContact O-CA 3.43Å; D745-R776 VanDerWaalsContact OD1-CB 3.23Å; D745-R776 WeakPolarHBondContact OD1-CB 3.4Å; D745-R776 WeakPolarHBondContact OD1-CD 3.46Å; D745-R776 WeakPolarHBondContact OD1-CG 3.24Å; D745-R776 IonicContact OD1-CZ 2.65Å; D745-R776 IonicContact OD1-NE 2.94Å; D745-R776 PolarHBondContact OD1-NE 3.14Å; D745-R776 IonicContact OD1-NH2 2.78Å; D745-R776 IonicContact OD2-CZ 3.21Å; D745-R776 IonicContact OD2-NE 3.32Å; D745-R776 PolarHBondContact OD2-NE 3.47Å; D745-R776 IonicContact OD2-NH2 2.72Å; D745-R776 PolarHBondContact OD2-NH2 2.9Å; S773-R776 PolarHBondContact N-O 2.75Å; S773-R776 PolarHBondContact O-N 3.21Å; S773-R776 VanDerWaalsContact O-O 3.11Å; S773-R776 WeakPolarHBondContact OG-CB 3.44Å; K774-R776 PolarHBondContact O-N 3.22Å; R776-T778 HydrophobicContact CG-CG2 4.35Å |
| 777 | A | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | C744 T756 W758 G771 Y772 | C744-A777 PolarHBondContact N-O 3.14Å; C744-A777 PolarHBondContact O-N 2.97Å; T756-A777 HydrophobicContact CG2-CB 3.73Å; T756-A777 WeakPolarHBondContact O-CB 3.45Å; W758-A777 PolarHBondContact NE1-O 2.94Å; G771-A777 CarbonylContact O-C 3.58Å; G771-A777 WeakPolarHBondContact O-CA 3.2Å; Y772-A777 HydrophobicContact CD1-CB 4.42Å |
| 778 | T | 94.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 59.8 Ų | 59.8 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 144.5 | 172.9 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | L742 E743 I770 G771 R776 | L742-T778 CarbonylContact O-C 3.59Å; L742-T778 WeakPolarHBondContact O-CA 3.32Å; E743-T778 HydrophobicContact CB-CG2 4.48Å; E743-T778 HydrophobicContact CG-CG2 4.06Å; I770-T778 CarbonylContact C-O 3.58Å; I770-T778 VanDerWaalsContact CA-O 3.25Å; I770-T778 WeakPolarHBondContact CA-O 3.4Å; I770-T778 WeakPolarHBondContact CG2-O 3.39Å; G771-T778 PolarHBondContact N-O 3.32Å; G771-T778 PolarHBondContact O-N 2.87Å; R776-T778 HydrophobicContact CG-CG2 4.35Å |
| 779 | L | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.9 | 173 | 178.5 | 156.3 | 0 | 0 | 0 | 107.7 | T741 L742 W758 M765 A768 L781 F792 I810 | T741-L779 CarbonylContact C-O 3.6Å; T741-L779 VanDerWaalsContact CA-O 3.29Å; T741-L779 WeakPolarHBondContact CA-O 3.44Å; L742-L779 HydrophobicContact CB-CB 4.42Å; L742-L779 HydrophobicContact CD1-CD2 4.47Å; L742-L779 PolarHBondContact N-O 2.82Å; L742-L779 PolarHBondContact O-N 2.77Å; W758-L779 HydrophobicContact CB-CB 4.32Å; W758-L779 HydrophobicContact CB-CD1 3.66Å; W758-L779 HydrophobicContact CD2-CB 4.23Å; W758-L779 HydrophobicContact CD2-CD1 4.41Å; W758-L779 HydrophobicContact CG-CB 3.83Å; W758-L779 HydrophobicContact CG-CD1 3.96Å; M765-L779 HydrophobicContact CE-CD1 3.75Å; A768-L779 HydrophobicContact CB-CD1 4.21Å; A768-L779 HydrophobicContact CB-CD2 3.82Å; A768-L779 HydrophobicContact CB-CG 3.78Å; L779-L781 HydrophobicContact CD2-CD1 4.2Å; L779-F792 HydrophobicContact CD1-CD1 3.49Å; L779-F792 VanDerWaalsContact CD1-CD1 3.49Å; L779-F792 HydrophobicContact CD1-CE1 3.83Å; L779-F792 HydrophobicContact CD1-CG 4.25Å; L779-I810 HydrophobicContact CD2-CD1 4.23Å |
| 780 | H | 94.8 | Very high | 90.3 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 27% | 0.269 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132 | 179.6 | -168.9 | 58.3 | 0 | 0 | 0 | 111.5 | V740 T741 A768 V769 N782 | V740-H780 WeakPolarHBondContact O-CA 3.36Å; V740-H780 PolarHBondContact O-ND1 2.88Å; V740-H780 VanDerWaalsContact O-ND1 3.16Å; T741-H780 PolarHBondContact OG1-ND1 2.84Å; A768-H780 CarbonylContact C-O 3.59Å; A768-H780 VanDerWaalsContact CA-O 3.31Å; A768-H780 WeakPolarHBondContact CA-O 3.36Å; V769-H780 PolarHBondContact N-O 2.78Å; V769-H780 PolarHBondContact O-N 3.3Å; H780-N782 PolarHBondContact CD2-OD1 2.86Å; H780-N782 PolarHBondContact NE2-OD1 3.1Å |
| 781 | L | 92.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.4 | 173.5 | -97.8 | 155.1 | 0 | 0 | 0 | 108 | S739 V740 R767 A768 L779 D788 F792 I810 | S739-L781 CarbonylContact C-O 3.58Å; S739-L781 WeakPolarHBondContact CA-O 3.49Å; S739-L781 VanDerWaalsContact CB-O 3.24Å; S739-L781 WeakPolarHBondContact CB-O 3.45Å; V740-L781 HydrophobicContact CG1-CB 3.77Å; V740-L781 HydrophobicContact CG1-CD1 4.42Å; V740-L781 PolarHBondContact N-O 2.87Å; V740-L781 PolarHBondContact O-N 2.85Å; R767-L781 HydrophobicContact CB-CD2 4.22Å; R767-L781 WeakPolarHBondContact O-CD2 3.39Å; A768-L781 HydrophobicContact CB-CD1 4.48Å; A768-L781 HydrophobicContact CB-CD2 4.48Å; A768-L781 HydrophobicContact CB-CG 3.97Å; L779-L781 HydrophobicContact CD2-CD1 4.2Å; L781-D788 HydrophobicContact CD1-CB 4.33Å; L781-F792 HydrophobicContact CD1-CZ 4.39Å; L781-I810 HydrophobicContact CD1-CD1 3.7Å |
| 782 | N | 88.2 | Confident | 90.4 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -79.5 | -33.9 | -175.9 | -71.3 | -4.4 | 0 | 0 | 0 | 113.5 | S739 H780 | S739-N782 WeakPolarHBondContact CB-O 3.23Å; H780-N782 PolarHBondContact CD2-OD1 2.86Å; H780-N782 PolarHBondContact NE2-OD1 3.1Å |
| 783 | Q | 90.9 | Very high | 90.6 | Very high | 142 Ų | 142 | 50.2 Ų | 50.2 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -142.6 | 105.2 | -179.5 | -71.7 | -177.9 | -10 | 0 | 0 | 108.3 | R767 | R767-Q783 PolarHBondContact NH2-O 3.16Š|
| 784 | A | 90.3 | Very high | 91 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | trans | -73.1 | 128 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V734 V736 G737 E738 V812 | V734-A784 HydrophobicContact CG1-CB 3.77Å; V736-A784 CarbonylContact C-O 3.45Å; V736-A784 WeakPolarHBondContact CA-O 3.14Å; G737-A784 PolarHBondContact N-O 2.77Å; E738-A784 WeakPolarHBondContact O-CB 3.44Å; E738-A784 PolarHBondContact O-N 2.82Å; A784-V812 HydrophobicContact CB-CG1 4.36Å; A784-V812 HydrophobicContact CB-CG2 3.87Å | ||
| 785 | D | 90.1 | Very high | 91.5 | Very high | 65 Ų | 65 | 39.2 Ų | 39.2 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | trans | -110.5 | 163.1 | 172 | -171.4 | 10.4 | 0 | 0 | 0 | 110.2 | R767 E787 D788 V812 | R767-D785 VanDerWaalsContact NH2-CB 3.25Å; D785-E787 PolarHBondContact O-N 3.07Å; D785-D788 PolarHBondContact N-OD2 3.24Å; D785-D788 WeakPolarHBondContact O-CA 3.31Å; D785-D788 VanDerWaalsContact O-CB 3.28Å; D785-D788 WeakPolarHBondContact O-CB 3.3Å; D785-D788 PolarHBondContact O-N 3.41Å; D785-V812 WeakPolarHBondContact O-CG2 3.2Å | ||
| 786 | I | 85.9 | Confident | 91.9 | Very high | 68 Ų | 68 | 39 Ų | 39 | 35% | 0.349 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -55.2 | -40.9 | -176.2 | -60.3 | 177.3 | 0 | 0 | 0 | 111 | V736 D788 S789 H814 | V736-I786 HydrophobicContact CG2-CG1 3.95Å; I786-D788 VanDerWaalsContact C-N 3.26Å; I786-D788 PolarHBondContact O-N 3.36Å; I786-S789 VanDerWaalsContact O-CB 3.23Å; I786-S789 WeakPolarHBondContact O-CB 3.48Å; I786-S789 PolarHBondContact O-N 2.88Å; I786-S789 VanDerWaalsContact O-N 3.13Å; I786-S789 PolarHBondContact O-OG 2.99Å; I786-H814 HydrophobicContact CD1-CB 3.8Å; I786-H814 HydrophobicContact CG1-CB 4.02Å; I786-H814 HydrophobicContact CG2-CB 4.36Å |
| 787 | E | 85.5 | Confident | 91.9 | Very high | 146 Ų | 146 | 38 Ų | 38 | 68% | 0.682 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -66.7 | -21.3 | 177.2 | -62.8 | -60.3 | 149.6 | 0 | 0 | 113.9 | R760 D785 S789 | R760-E787 PolarHBondContact NH2-O 2.96Å; D785-E787 PolarHBondContact O-N 3.07Å; E787-S789 PolarHBondContact O-N 2.94Å |
| 788 | D | 89.5 | Confident | 91.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -71.5 | -14 | 174.1 | -59.9 | -30.7 | 0 | 0 | 0 | 112.1 | R760 Y763 R767 L781 D785 I786 G790 | R760-D788 VanDerWaalsContact NH1-C 3.35Å; R760-D788 PolarHBondContact NH1-O 3.49Å; Y763-D788 HydrophobicContact CE2-CB 4.42Å; Y763-D788 VanDerWaalsContact CE2-OD1 3.27Å; Y763-D788 WeakPolarHBondContact CE2-OD1 3.44Å; Y763-D788 PolarHBondContact OH-OD1 3.44Å; R767-D788 IonicContact CZ-OD1 2.75Å; R767-D788 IonicContact CZ-OD2 3.83Å; R767-D788 IonicContact NE-OD1 3.63Å; R767-D788 PolarHBondContact NE-OD1 2.87Å; R767-D788 IonicContact NE-OD2 2.65Å; R767-D788 PolarHBondContact NE-OD2 3.16Å; R767-D788 IonicContact NH2-OD1 3.73Å; R767-D788 PolarHBondContact NH2-OD1 2.8Å; R767-D788 IonicContact NH2-OD2 3.21Å; R767-D788 PolarHBondContact NH2-OD2 2.65Å; L781-D788 HydrophobicContact CD1-CB 4.33Å; D785-D788 PolarHBondContact N-OD2 3.24Å; D785-D788 WeakPolarHBondContact O-CA 3.31Å; D785-D788 VanDerWaalsContact O-CB 3.28Å; D785-D788 WeakPolarHBondContact O-CB 3.3Å; D785-D788 PolarHBondContact O-N 3.41Å; I786-D788 VanDerWaalsContact C-N 3.26Å; I786-D788 PolarHBondContact O-N 3.36Å; D788-G790 PolarHBondContact O-N 3.11Å |
| 789 | S | 90 | Very high | 91.4 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | trans | -62.1 | 122.9 | 173.2 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | R760 I786 E787 I810 V812 | R760-S789 PolarHBondContact NH1-O 3.19Å; R760-S789 PolarHBondContact NH2-O 3.34Å; I786-S789 VanDerWaalsContact O-CB 3.23Å; I786-S789 WeakPolarHBondContact O-CB 3.48Å; I786-S789 PolarHBondContact O-N 2.88Å; I786-S789 VanDerWaalsContact O-N 3.13Å; I786-S789 PolarHBondContact O-OG 2.99Å; E787-S789 PolarHBondContact O-N 2.94Å; S789-I810 CarbonylContact C-O 3.5Å; S789-I810 WeakPolarHBondContact CA-O 3.33Å; S789-V812 VanDerWaalsContact OG-CB 3.26Å; S789-V812 WeakPolarHBondContact OG-CB 3.47Å; S789-V812 WeakPolarHBondContact OG-CG2 3.38Å; S789-V812 PolarHBondContact OG-N 2.81Å | ||
| 790 | G | 89.5 | Confident | 91 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | 179 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D788 W809 I810 | D788-G790 PolarHBondContact O-N 3.11Å; G790-W809 WeakPolarHBondContact O-CA 3.49Å; G790-I810 PolarHBondContact N-O 2.72Å; G790-I810 PolarHBondContact O-N 3.13Å |
| 791 | A | 92.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 117.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R760 K807 T808 W809 | R760-A791 WeakPolarHBondContact CG-O 3.4Å; A791-K807 HydrophobicContact CB-CD 4.47Å; A791-T808 CarbonylContact C-O 3.55Å; A791-T808 VanDerWaalsContact CA-O 3.31Å; A791-T808 WeakPolarHBondContact CA-O 3.12Å; A791-W809 HydrophobicContact CB-CD2 3.92Å; A791-W809 HydrophobicContact CB-CE3 4.28Å; A791-W809 HydrophobicContact CB-CG 4.46Å; A791-W809 HydrophobicContact CB-CH2 4.12Å; A791-W809 HydrophobicContact CB-CZ2 3.79Å; A791-W809 HydrophobicContact CB-CZ3 4.37Å |
| 792 | F | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.3 | 170.6 | -70.2 | -93.1 | 0 | 0 | 0 | 109.6 | L742 W758 R760 Y763 M765 L779 L781 K807 T808 I810 | L742-F792 HydrophobicContact CD1-CB 3.94Å; L742-F792 HydrophobicContact CD1-CD2 4.26Å; L742-F792 HydrophobicContact CD1-CG 4.21Å; W758-F792 HydrophobicContact CE3-CB 3.88Å; W758-F792 HydrophobicContact CZ3-CB 4Å; R760-F792 HydrophobicContact CB-CD1 3.93Å; R760-F792 HydrophobicContact CB-CE1 4.07Å; Y763-F792 AromaticContact CD1-CE1 3.8Å; Y763-F792 HydrophobicContact CD1-CE1 3.8Å; Y763-F792 HydrophobicContact CD1-CZ 4.08Å; Y763-F792 AromaticContact CE1-CE1 3.61Å; Y763-F792 HydrophobicContact CE1-CE1 3.61Å; Y763-F792 AromaticContact CE1-CZ 3.73Å; Y763-F792 HydrophobicContact CE1-CZ 3.73Å; Y763-F792 HydrophobicContact CE2-CZ 4.47Å; Y763-F792 AromaticContact CZ-CZ 3.94Å; M765-F792 HydrophobicContact SD-CD1 4.31Å; M765-F792 HydrophobicContact SD-CE1 4.08Å; L779-F792 HydrophobicContact CD1-CD1 3.49Å; L779-F792 VanDerWaalsContact CD1-CD1 3.49Å; L779-F792 HydrophobicContact CD1-CE1 3.83Å; L779-F792 HydrophobicContact CD1-CG 4.25Å; L781-F792 HydrophobicContact CD1-CZ 4.39Å; F792-K807 WeakPolarHBondContact O-CA 3.44Å; F792-T808 PolarHBondContact N-O 3.24Å; F792-T808 PolarHBondContact O-N 2.94Å; F792-I810 HydrophobicContact CD2-CB 4.47Å; F792-I810 HydrophobicContact CD2-CD1 4.01Å; F792-I810 HydrophobicContact CD2-CG1 4.25Å; F792-I810 HydrophobicContact CE2-CB 4.18Å; F792-I810 HydrophobicContact CE2-CD1 3.75Å; F792-I810 HydrophobicContact CE2-CG1 4.22Å; F792-I810 HydrophobicContact CZ-CD1 4.4Å |
| 793 | T | 95.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 14% | 0.135 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.5 | -178 | -46.5 | 0 | 0 | 0 | 0 | 109 | W758 N759 I795 K805 K806 K807 | W758-T793 CarbonylContact C-O 3.53Å; W758-T793 WeakPolarHBondContact CA-O 3.25Å; N759-T793 PolarHBondContact N-O 3.21Å; N759-T793 WeakPolarHBondContact O-CB 3.01Å; N759-T793 PolarHBondContact O-N 2.92Å; N759-T793 PolarHBondContact O-OG1 3.09Å; T793-I795 HydrophobicContact CG2-CG1 4.13Å; T793-K805 HydrophobicContact CG2-CB 4.16Å; T793-K806 CarbonylContact C-O 3.53Å; T793-K806 WeakPolarHBondContact CA-O 3.49Å; T793-K807 HydrophobicContact CG2-CG 3.92Å; T793-K807 WeakPolarHBondContact OG1-CE 3.31Å |
| 794 | C | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.7 | 164.1 | 178.5 | 0 | 0 | 0 | 0 | 109 | I728 C744 T756 N757 W758 K805 K806 | I728-C794 HydrophobicContact CD1-CB 3.91Å; C744-C794 HydrophobicContact CB-CB 3.66Å; C744-C794 WeakPolarHBondContact CB-SG 3.3Å; C744-C794 WeakPolarHBondContact SG-CB 3.35Å; C744-C794 CovalentContact SG-SG 2.02Å; C744-C794 PolarHBondContact SG-SG 3.42Å; T756-C794 WeakPolarHBondContact CG2-SG 3.34Å; N757-C794 CarbonylContact O-C 3.51Å; N757-C794 WeakPolarHBondContact O-CA 3.35Å; W758-C794 HydrophobicContact CD2-CB 4.27Å; W758-C794 HydrophobicContact CE3-CB 3.96Å; W758-C794 HydrophobicContact CH2-CB 4Å; W758-C794 HydrophobicContact CZ2-CB 4.27Å; W758-C794 HydrophobicContact CZ3-CB 3.82Å; C794-K805 VanDerWaalsContact O-CA 3.29Å; C794-K805 WeakPolarHBondContact O-CA 3.32Å; C794-K806 PolarHBondContact N-O 2.76Å; C794-K806 PolarHBondContact O-N 2.85Å; C794-K806 VanDerWaalsContact O-N 3.08Å |
| 795 | I | 94.3 | Very high | 90.3 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.7 | 179.9 | -54.1 | 179.7 | 0 | 0 | 0 | 107.3 | T756 N757 N759 T793 A803 N804 K805 | T756-I795 CarbonylContact C-O 3.56Å; T756-I795 WeakPolarHBondContact CA-O 3.48Å; N757-I795 PolarHBondContact N-O 2.96Å; N757-I795 PolarHBondContact O-N 2.9Å; N759-I795 HydrophobicContact CB-CD1 4.09Å; T793-I795 HydrophobicContact CG2-CG1 4.13Å; I795-A803 HydrophobicContact CG2-CB 3.96Å; I795-N804 WeakPolarHBondContact CA-O 3.48Å; I795-K805 HydrophobicContact CB-CG 4.46Å; I795-K805 HydrophobicContact CG1-CD 4.28Å; I795-K805 HydrophobicContact CG1-CG 4.11Å; I795-K805 HydrophobicContact CG2-CG 4.19Å |
| 796 | A | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | A723 I725 A746 M755 A803 N804 | A723-A796 HydrophobicContact CB-CB 4.01Å; I725-A796 HydrophobicContact CD1-CB 4.16Å; I725-A796 HydrophobicContact CG1-CB 3.59Å; A746-A796 HydrophobicContact CB-CB 3.59Å; M755-A796 CarbonylContact O-C 3.58Å; M755-A796 WeakPolarHBondContact O-CA 3.49Å; A796-A803 CarbonylContact O-C 3.52Å; A796-A803 WeakPolarHBondContact O-CA 3.5Å; A796-N804 PolarHBondContact N-O 2.96Å; A796-N804 PolarHBondContact O-N 2.86Å |
| 797 | H | 93.3 | Very high | 90.9 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | trans | -160.7 | 119.5 | -177.9 | -177.2 | -124.9 | 0 | 0 | 0 | 112.4 | M755 G799 A803 | M755-H797 WeakPolarHBondContact CB-O 3.49Å; M755-H797 PolarHBondContact O-N 2.77Å; H797-G799 WeakPolarHBondContact NE2-CA 3.22Å; H797-A803 HydrophobicContact CB-CB 3.72Å | ||
| 798 | N | 91.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -102.7 | 20.9 | 177.7 | 69.3 | -30.9 | 0 | 0 | 0 | 114 | Y721 S722 A723 A748 F749 P750 V752 M755 I800 | Y721-N798 PolarHBondContact O-ND2 3.19Å; S722-N798 WeakPolarHBondContact CA-OD1 3.28Å; A723-N798 HydrophobicContact CB-CB 4.42Å; A723-N798 PolarHBondContact N-OD1 2.83Å; A748-N798 HydrophobicContact CB-CB 4Å; F749-N798 PolarHBondContact O-ND2 3.31Å; P750-N798 WeakPolarHBondContact O-CB 3.38Å; P750-N798 PolarHBondContact O-ND2 3.43Å; P750-N798 VanDerWaalsContact O-ND2 3.08Å; V752-N798 HydrophobicContact CG2-CB 4.13Å; M755-N798 HydrophobicContact SD-CB 4.07Å; N798-I800 VanDerWaalsContact C-N 3.31Å; N798-I800 PolarHBondContact OD1-N 2.89Å |
| 799 | G | 86.3 | Confident | 91.5 | Very high | 60 Ų | 60 | 46 Ų | 46 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 80.4 | 8.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H797 | H797-G799 WeakPolarHBondContact NE2-CA 3.22Š|
| 800 | I | 85.5 | Confident | 91.6 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -122.4 | 132.7 | 178.5 | -55.2 | 178.8 | 0 | 0 | 0 | 109.2 | L639 R720 S722 F749 N798 | L639-I800 HydrophobicContact CD2-CD1 4.08Å; L639-I800 HydrophobicContact CD2-CG1 4.48Å; L639-I800 HydrophobicContact CD2-CG2 3.7Å; R720-I800 HydrophobicContact CB-CD1 3.77Å; S722-I800 WeakPolarHBondContact CB-O 3.35Å; F749-I800 WeakPolarHBondContact O-CD1 3.47Å; N798-I800 VanDerWaalsContact C-N 3.31Å; N798-I800 PolarHBondContact OD1-N 2.89Å |
| 801 | G | 84.1 | Confident | 91.7 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 62% | 0.619 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 67.5 | -154.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 802 | T | 84 | Confident | 91.7 | Very high | 127 Ų | 127 | 44.3 Ų | 44.3 | 78% | 0.779 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -95.2 | 136.2 | 175.5 | 54.2 | 0 | 0 | 0 | 0 | 111 | N804 | T802-N804 PolarHBondContact O-N 2.87Š|
| 803 | A | 89 | Confident | 91.5 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 118.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I795 A796 H797 | I795-A803 HydrophobicContact CG2-CB 3.96Å; A796-A803 CarbonylContact O-C 3.52Å; A796-A803 WeakPolarHBondContact O-CA 3.5Å; H797-A803 HydrophobicContact CB-CB 3.72Å |
| 804 | N | 92.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 144.1 | 176.2 | -167.7 | -26.4 | 0 | 0 | 0 | 110 | A723 D724 I725 I795 A796 T802 | A723-N804 WeakPolarHBondContact O-CB 3.25Å; D724-N804 PolarHBondContact OD1-ND2 2.85Å; I725-N804 HydrophobicContact CD1-CB 4.3Å; I725-N804 HydrophobicContact CG1-CB 4.2Å; I725-N804 PolarHBondContact N-ND2 2.86Å; I795-N804 WeakPolarHBondContact CA-O 3.48Å; A796-N804 PolarHBondContact N-O 2.96Å; A796-N804 PolarHBondContact O-N 2.86Å; T802-N804 PolarHBondContact O-N 2.87Å |
| 805 | K | 94 | Very high | 91.3 | Very high | 129 Ų | 129 | 46.8 Ų | 46.8 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 124.4 | -173 | -56.6 | -175.4 | -173.9 | 173.9 | 0 | 112 | T793 C794 I795 | T793-K805 HydrophobicContact CG2-CB 4.16Å; C794-K805 VanDerWaalsContact O-CA 3.29Å; C794-K805 WeakPolarHBondContact O-CA 3.32Å; I795-K805 HydrophobicContact CB-CG 4.46Å; I795-K805 HydrophobicContact CG1-CD 4.28Å; I795-K805 HydrophobicContact CG1-CG 4.11Å; I795-K805 HydrophobicContact CG2-CG 4.19Å |
| 806 | K | 95 | Very high | 91.3 | Very high | 84 Ų | 84 | 45 Ų | 45 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.9 | 172.4 | -69.6 | -179 | -175.2 | 170 | 0 | 110 | I725 I728 T793 C794 | I725-K806 HydrophobicContact CB-CD 4Å; I725-K806 HydrophobicContact CD1-CB 4.18Å; I725-K806 HydrophobicContact CD1-CG 4.17Å; I725-K806 HydrophobicContact CG2-CD 3.85Å; I725-K806 HydrophobicContact CG2-CG 4.49Å; I725-K806 PolarHBondContact O-NZ 3.05Å; I728-K806 HydrophobicContact CD1-CB 3.83Å; I728-K806 HydrophobicContact CG2-CB 4.41Å; I728-K806 HydrophobicContact CG2-CD 4.45Å; T793-K806 CarbonylContact C-O 3.53Å; T793-K806 WeakPolarHBondContact CA-O 3.49Å; C794-K806 PolarHBondContact N-O 2.76Å; C794-K806 PolarHBondContact O-N 2.85Å; C794-K806 VanDerWaalsContact O-N 3.08Å |
| 807 | K | 93.6 | Very high | 91.1 | Very high | 147 Ų | 147 | 49.3 Ų | 49.3 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 144.4 | -176.9 | -69.2 | -173.5 | 179.1 | -176.9 | 0 | 111.6 | A791 F792 T793 | A791-K807 HydrophobicContact CB-CD 4.47Å; F792-K807 WeakPolarHBondContact O-CA 3.44Å; T793-K807 HydrophobicContact CG2-CG 3.92Å; T793-K807 WeakPolarHBondContact OG1-CE 3.31Å |
| 808 | T | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 173.2 | 166.7 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | I728 S729 Q730 L742 W758 A791 F792 | I728-T808 HydrophobicContact CD1-CG2 4.37Å; I728-T808 HydrophobicContact CG1-CG2 4.4Å; S729-T808 WeakPolarHBondContact O-CB 3.29Å; S729-T808 PolarHBondContact O-OG1 2.89Å; Q730-T808 PolarHBondContact O-OG1 2.81Å; L742-T808 HydrophobicContact CD1-CG2 3.63Å; L742-T808 HydrophobicContact CD2-CG2 3.81Å; L742-T808 HydrophobicContact CG-CG2 4.19Å; W758-T808 HydrophobicContact CH2-CG2 3.71Å; W758-T808 HydrophobicContact CZ3-CG2 3.89Å; A791-T808 CarbonylContact C-O 3.55Å; A791-T808 VanDerWaalsContact CA-O 3.31Å; A791-T808 WeakPolarHBondContact CA-O 3.12Å; F792-T808 PolarHBondContact N-O 3.24Å; F792-T808 PolarHBondContact O-N 2.94Å |
| 809 | W | 92.2 | Very high | 90.9 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 27% | 0.269 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.4 | -172.7 | -71.5 | 79.5 | 0 | 0 | 0 | 112.4 | P731 A732 G790 A791 V811 P874 | P731-W809 CarbonylContact C-O 3.53Å; P731-W809 WeakPolarHBondContact CA-O 3.34Å; P731-W809 HydrophobicContact CB-CB 4.12Å; P731-W809 HydrophobicContact CG-CB 4.49Å; A732-W809 PolarHBondContact N-O 2.9Å; G790-W809 WeakPolarHBondContact O-CA 3.49Å; A791-W809 HydrophobicContact CB-CD2 3.92Å; A791-W809 HydrophobicContact CB-CE3 4.28Å; A791-W809 HydrophobicContact CB-CG 4.46Å; A791-W809 HydrophobicContact CB-CH2 4.12Å; A791-W809 HydrophobicContact CB-CZ2 3.79Å; A791-W809 HydrophobicContact CB-CZ3 4.37Å; W809-V811 HydrophobicContact CB-CG2 4.13Å; W809-P874 HydrophobicContact CD2-CG 3.8Å; W809-P874 HydrophobicContact CE3-CG 3.99Å; W809-P874 HydrophobicContact CG-CG 4.09Å; W809-P874 HydrophobicContact CZ3-CG 4.48Å |
| 810 | I | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.9 | 155.4 | -66.3 | 167.6 | 0 | 0 | 0 | 106.4 | V734 V740 L742 L779 L781 S789 G790 F792 V812 | V734-I810 HydrophobicContact CG2-CG2 4.32Å; V740-I810 HydrophobicContact CG1-CD1 3.68Å; V740-I810 HydrophobicContact CG1-CG1 4.17Å; V740-I810 HydrophobicContact CG1-CG2 4.14Å; V740-I810 HydrophobicContact CG2-CD1 4.42Å; V740-I810 HydrophobicContact CG2-CG1 4.26Å; L742-I810 HydrophobicContact CD1-CD1 3.89Å; L742-I810 HydrophobicContact CD1-CG1 3.99Å; L742-I810 HydrophobicContact CD2-CG1 4.35Å; L742-I810 HydrophobicContact CG-CD1 4.2Å; L742-I810 HydrophobicContact CG-CG1 4.28Å; L779-I810 HydrophobicContact CD2-CD1 4.23Å; L781-I810 HydrophobicContact CD1-CD1 3.7Å; S789-I810 CarbonylContact C-O 3.5Å; S789-I810 WeakPolarHBondContact CA-O 3.33Å; G790-I810 PolarHBondContact N-O 2.72Å; G790-I810 PolarHBondContact O-N 3.13Å; F792-I810 HydrophobicContact CD2-CB 4.47Å; F792-I810 HydrophobicContact CD2-CD1 4.01Å; F792-I810 HydrophobicContact CD2-CG1 4.25Å; F792-I810 HydrophobicContact CE2-CB 4.18Å; F792-I810 HydrophobicContact CE2-CD1 3.75Å; F792-I810 HydrophobicContact CE2-CG1 4.22Å; F792-I810 HydrophobicContact CZ-CD1 4.4Å; I810-V812 HydrophobicContact CG2-CG2 4.15Å |
| 811 | V | 91.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 108.2 | -174.6 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | A732 M733 V734 W809 A844 P874 I875 | A732-V811 PolarHBondContact O-N 3.33Å; M733-V811 WeakPolarHBondContact CA-O 3.41Å; M733-V811 HydrophobicContact CE-CB 4.29Å; M733-V811 HydrophobicContact CE-CG1 3.63Å; M733-V811 HydrophobicContact SD-CB 3.54Å; M733-V811 VanDerWaalsContact SD-CB 3.54Å; M733-V811 HydrophobicContact SD-CG1 3.43Å; M733-V811 WeakPolarHBondContact SD-CG1 3.35Å; M733-V811 HydrophobicContact SD-CG2 4.11Å; V734-V811 PolarHBondContact N-O 2.62Å; W809-V811 HydrophobicContact CB-CG2 4.13Å; V811-A844 HydrophobicContact CG1-CB 3.77Å; V811-P874 HydrophobicContact CG1-CB 4.41Å; V811-P874 HydrophobicContact CG2-CB 3.58Å; V811-P874 HydrophobicContact CG2-CG 4.32Å; V811-I875 HydrophobicContact CG1-CG2 3.73Å |
| 812 | V | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.7 | -177.1 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | V734 V736 A784 D785 S789 I810 H814 | V734-V812 CarbonylContact O-C 3.58Å; V734-V812 VanDerWaalsContact O-CA 3.24Å; V734-V812 WeakPolarHBondContact O-CA 3.18Å; V736-V812 HydrophobicContact CB-CG1 4.42Å; V736-V812 HydrophobicContact CG2-CG1 3.68Å; A784-V812 HydrophobicContact CB-CG1 4.36Å; A784-V812 HydrophobicContact CB-CG2 3.87Å; D785-V812 WeakPolarHBondContact O-CG2 3.2Å; S789-V812 VanDerWaalsContact OG-CB 3.26Å; S789-V812 WeakPolarHBondContact OG-CB 3.47Å; S789-V812 WeakPolarHBondContact OG-CG2 3.38Å; S789-V812 PolarHBondContact OG-N 2.81Å; I810-V812 HydrophobicContact CG2-CG2 4.15Å; V812-H814 PolarHBondContact O-N 3.01Å; V812-H814 PolarHBondContact O-ND1 2.72Å |
| 813 | S | 89.6 | Confident | 89.7 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125.5 | -176 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | V734 A844 | V734-S813 PolarHBondContact O-N 2.79Å; S813-A844 CarbonylContact C-O 3.54Å; S813-A844 VanDerWaalsContact CA-O 3.28Å; S813-A844 WeakPolarHBondContact CA-O 3.46Å |
| 814 | H | 92.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 156.6 | 179.1 | 62.5 | -75.9 | 0 | 0 | 0 | 112.1 | I786 V812 G843 A844 N900 | I786-H814 HydrophobicContact CD1-CB 3.8Å; I786-H814 HydrophobicContact CG1-CB 4.02Å; I786-H814 HydrophobicContact CG2-CB 4.36Å; V812-H814 PolarHBondContact O-N 3.01Å; V812-H814 PolarHBondContact O-ND1 2.72Å; H814-G843 WeakPolarHBondContact NE2-CA 3.3Å; H814-G843 PolarHBondContact NE2-N 3.36Å; H814-A844 PolarHBondContact N-O 3.36Å; H814-A844 PolarHBondContact O-N 2.81Å; H814-N900 PolarHBondContact O-ND2 2.88Å |
| 815 | A | 92.5 | Very high | 88.8 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 155.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V817 L902 | A815-V817 PolarHBondContact O-N 3.32Å; A815-L902 HydrophobicContact CB-CB 4.03Å |
| 816 | P | 94.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 133.4 | -177.1 | -21.4 | 36.8 | 0 | 0 | 0 | 111.8 | A841 K842 I847 A898 N900 D905 | P816-A841 HydrophobicContact CB-CB 4.45Å; P816-K842 CarbonylContact C-O 3.59Å; P816-K842 VanDerWaalsContact CA-O 3.24Å; P816-K842 WeakPolarHBondContact CA-O 3.45Å; P816-I847 HydrophobicContact CB-CD1 4.14Å; P816-I847 HydrophobicContact CB-CG2 4.34Å; P816-I847 HydrophobicContact CG-CD1 4.43Å; P816-I847 HydrophobicContact CG-CG1 4.34Å; P816-I847 HydrophobicContact CG-CG2 4.27Å; P816-A898 HydrophobicContact CB-CB 3.78Å; P816-N900 WeakPolarHBondContact CD-OD1 3.33Å; P816-N900 HydrophobicContact CG-CB 4.22Å; P816-D905 WeakPolarHBondContact O-CB 3.48Å |
| 817 | V | 91.8 | Very high | 88.4 | Confident | 89 Ų | 89 | 39.5 Ų | 39.5 | 54% | 0.539 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.9 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | A815 A841 K842 | A815-V817 PolarHBondContact O-N 3.32Å; V817-A841 CarbonylContact O-C 3.59Å; V817-A841 VanDerWaalsContact O-CA 3.25Å; V817-A841 WeakPolarHBondContact O-CA 3.34Å; V817-K842 PolarHBondContact N-O 2.78Å; V817-K842 PolarHBondContact O-N 2.96Å |
| 818 | I | 92.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.5 | -179.6 | -64.3 | 169.2 | 0 | 0 | 0 | 109.8 | K820 C839 I840 A841 A898 D905 F907 | I818-K820 PolarHBondContact O-N 2.94Å; I818-K820 VanDerWaalsContact O-N 3.17Å; I818-C839 VanDerWaalsContact CG2-SG 3.6Å; I818-I840 CarbonylContact C-O 3.54Å; I818-I840 WeakPolarHBondContact CA-O 3.23Å; I818-A841 HydrophobicContact CG1-CB 4.07Å; I818-A898 HydrophobicContact CD1-CB 4.11Å; I818-A898 HydrophobicContact CG1-CB 3.99Å; I818-D905 VanDerWaalsContact CB-OD2 3.32Å; I818-D905 WeakPolarHBondContact CB-OD2 3.34Å; I818-D905 HydrophobicContact CD1-CB 4.22Å; I818-D905 HydrophobicContact CG1-CB 4.19Å; I818-D905 PolarHBondContact N-OD2 2.82Å; I818-F907 HydrophobicContact CB-CB 4.39Å; I818-F907 HydrophobicContact CD1-CB 4.06Å; I818-F907 HydrophobicContact CG2-CB 3.77Å; I818-F907 HydrophobicContact CG2-CD1 4.2Å; I818-F907 HydrophobicContact CG2-CG 4.25Å |
| 819 | H | 86.6 | Confident | 88.2 | Confident | 83 Ų | 83 | 33.1 Ų | 33.1 | 38% | 0.384 | 18% | 0.179 | S | C | . | . | trans | -76.7 | 103.9 | 176.8 | -175.8 | -178.8 | 0 | 0 | 0 | 110.2 | S821 Y824 I840 | H819-S821 PolarHBondContact O-N 2.67Å; H819-Y824 PolarHBondContact ND1-OH 2.78Å; H819-Y824 VanDerWaalsContact O-CE2 3.25Å; H819-Y824 WeakPolarHBondContact O-CE2 3.2Å; H819-Y824 PolarHBondContact O-OH 3.23Å; H819-I840 PolarHBondContact N-O 2.77Å | ||
| 820 | K | 83.7 | Confident | 88.1 | Confident | 120 Ų | 120 | 34.2 Ų | 34.2 | 52% | 0.522 | 19% | 0.187 | S | C | . | . | trans | -77.6 | 50.7 | -179.6 | -58.5 | 174.3 | -174.8 | 168.8 | 0 | 112.3 | I818 F907 | I818-K820 PolarHBondContact O-N 2.94Å; I818-K820 VanDerWaalsContact O-N 3.17Å; K820-F907 HydrophobicContact CB-CE2 4.1Å; K820-F907 HydrophobicContact CB-CZ 4.09Å; K820-F907 HydrophobicContact CD-CD2 3.78Å; K820-F907 HydrophobicContact CD-CE2 3.92Å; K820-F907 HydrophobicContact CD-CG 4.5Å; K820-F907 HydrophobicContact CG-CD1 4.37Å; K820-F907 HydrophobicContact CG-CD2 3.69Å; K820-F907 HydrophobicContact CG-CE1 4.39Å; K820-F907 HydrophobicContact CG-CE2 3.72Å; K820-F907 HydrophobicContact CG-CG 4.03Å; K820-F907 HydrophobicContact CG-CZ 4.09Å | ||
| 821 | S | 79.7 | Confident | 88 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | trans | -67.9 | 137.2 | -175.1 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | H819 S823 Y824 S825 R938 | H819-S821 PolarHBondContact O-N 2.67Å; S821-S823 PolarHBondContact O-N 3Å; S821-S823 PolarHBondContact OG-N 2.96Å; S821-S823 PolarHBondContact OG-OG 3.34Å; S821-Y824 VanDerWaalsContact CB-CE1 3.48Å; S821-Y824 WeakPolarHBondContact CB-OH 3.4Å; S821-Y824 PolarHBondContact O-N 2.9Å; S821-S825 VanDerWaalsContact O-CB 3.3Å; S821-S825 WeakPolarHBondContact O-CB 3.26Å; S821-S825 PolarHBondContact O-N 2.83Å; S821-R938 PolarHBondContact OG-NH2 3.14Å | ||
| 822 | T | 76.9 | Confident | 87.8 | Confident | 54 Ų | 54 | 41 Ų | 41 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -20.5 | 174.6 | 53.8 | 0 | 0 | 0 | 0 | 115.4 | R938 N940 F941 | T822-R938 PolarHBondContact OG1-NE 3.12Å; T822-N940 WeakPolarHBondContact CB-OD1 3.35Å; T822-N940 PolarHBondContact OG1-OD1 2.73Å; T822-F941 PolarHBondContact O-N 2.88Å |
| 823 | S | 74.8 | Confident | 87.8 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19.8 | 179.8 | 47.6 | 0 | 0 | 0 | 0 | 114.8 | S821 A939 | S821-S823 PolarHBondContact O-N 3Å; S821-S823 PolarHBondContact OG-N 2.96Å; S821-S823 PolarHBondContact OG-OG 3.34Å; S823-A939 WeakPolarHBondContact CB-O 3.19Å |
| 824 | Y | 79.1 | Confident | 87.8 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 7% | 0.071 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | 17.1 | 179.9 | 50.9 | -96.5 | 0 | 0 | 0 | 113.1 | H819 S821 K826 R838 I840 | H819-Y824 PolarHBondContact ND1-OH 2.78Å; H819-Y824 VanDerWaalsContact O-CE2 3.25Å; H819-Y824 WeakPolarHBondContact O-CE2 3.2Å; H819-Y824 PolarHBondContact O-OH 3.23Å; S821-Y824 VanDerWaalsContact CB-CE1 3.48Å; S821-Y824 WeakPolarHBondContact CB-OH 3.4Å; S821-Y824 PolarHBondContact O-N 2.9Å; Y824-K826 PolarHBondContact O-N 2.85Å; Y824-R838 WeakPolarHBondContact CD2-O 3.34Å; Y824-R838 HydrophobicContact CG-CG 4.48Å; Y824-I840 HydrophobicContact CE1-CD1 3.86Å; Y824-I840 HydrophobicContact CE2-CB 4.36Å; Y824-I840 HydrophobicContact CE2-CD1 4.25Å; Y824-I840 HydrophobicContact CE2-CG1 4.06Å |
| 825 | S | 83.7 | Confident | 87.7 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -69.4 | -4.2 | 171.1 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | S821 P910 | S821-S825 VanDerWaalsContact O-CB 3.3Å; S821-S825 WeakPolarHBondContact O-CB 3.26Å; S821-S825 PolarHBondContact O-N 2.83Å; S825-P910 VanDerWaalsContact O-CD 3.31Å; S825-P910 WeakPolarHBondContact O-CD 3.03Å |
| 826 | K | 89.7 | Confident | 87.7 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 30% | 0.296 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -141.9 | 163.9 | 175.5 | -54.2 | 172.9 | -170.8 | 164.3 | 0 | 108.1 | Y824 P910 D918 F941 | Y824-K826 PolarHBondContact O-N 2.85Å; K826-P910 HydrophobicContact CB-CG 4.16Å; K826-P910 HydrophobicContact CG-CG 3.94Å; K826-D918 IonicContact NZ-OD1 3.64Å; K826-D918 IonicContact NZ-OD2 2.63Å; K826-D918 PolarHBondContact NZ-OD2 3.09Å; K826-F941 HydrophobicContact CB-CD1 4.17Å; K826-F941 HydrophobicContact CB-CD2 3.84Å; K826-F941 HydrophobicContact CB-CE1 4.07Å; K826-F941 HydrophobicContact CB-CE2 3.76Å; K826-F941 HydrophobicContact CB-CG 4.04Å; K826-F941 HydrophobicContact CB-CZ 3.85Å; K826-F941 HydrophobicContact CD-CD1 3.81Å; K826-F941 HydrophobicContact CD-CE1 4.11Å; K826-F941 HydrophobicContact CD-CG 4.15Å; K826-F941 WeakPolarHBondContact O-CE2 3.45Å |
| 827 | S | 91.4 | Very high | 87.6 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144.9 | 169 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | L837 P910 L911 I912 | S827-L837 WeakPolarHBondContact OG-CA 3.1Å; S827-P910 PolarHBondContact N-O 3.34Å; S827-L911 CarbonylContact O-C 3.23Å; S827-L911 WeakPolarHBondContact O-CA 3.49Å; S827-I912 WeakPolarHBondContact O-CG1 3.38Å; S827-I912 PolarHBondContact O-N 3.41Å |
| 828 | A | 91.6 | Very high | 87.7 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 12% | 0.116 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I912 H913 L914 F941 G943 | A828-I912 WeakPolarHBondContact CA-O 2.94Å; A828-I912 HydrophobicContact CB-CG1 3.96Å; A828-H913 WeakPolarHBondContact CB-O 3.43Å; A828-L914 HydrophobicContact CB-CD2 4.2Å; A828-F941 HydrophobicContact CB-CE1 4.45Å; A828-F941 HydrophobicContact CB-CZ 3.68Å; A828-G943 WeakPolarHBondContact CB-O 3.45Å |
| 829 | S | 92.7 | Very high | 87.7 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | trans | -160.7 | 150.3 | -177.2 | -176.1 | 0 | 0 | 0 | 0 | 110 | S833 Q834 A835 Y891 I912 | S829-S833 PolarHBondContact OG-OG 2.99Å; S829-Q834 VanDerWaalsContact OG-C 3.29Å; S829-Q834 PolarHBondContact OG-O 2.85Å; S829-A835 PolarHBondContact OG-N 3.2Å; S829-Y891 WeakPolarHBondContact O-CE1 3.3Å; S829-Y891 PolarHBondContact O-OH 2.73Å; S829-I912 PolarHBondContact N-O 2.79Å; S829-I912 VanDerWaalsContact N-O 3.15Å | ||
| 830 | E | 90.3 | Very high | 88 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | trans | -86.3 | 152.7 | 175.3 | 54.6 | -172.5 | -157.9 | 0 | 0 | 111.3 | G832 S833 L914 R993 | E830-G832 PolarHBondContact O-N 2.9Å; E830-S833 WeakPolarHBondContact CG-OG 3.45Å; E830-S833 PolarHBondContact N-OG 3.49Å; E830-S833 WeakPolarHBondContact O-CB 3.19Å; E830-S833 PolarHBondContact O-N 3.33Å; E830-S833 PolarHBondContact O-OG 2.9Å; E830-L914 HydrophobicContact CB-CD1 3.78Å; E830-L914 HydrophobicContact CB-CG 4.09Å; E830-L914 HydrophobicContact CG-CD1 4.02Å; E830-L914 WeakPolarHBondContact OE2-CD1 3.34Å; E830-R993 IonicContact OE2-CZ 2.72Å; E830-R993 IonicContact OE2-NH2 3.63Å; E830-R993 PolarHBondContact OE2-NH2 3.46Å | ||
| 831 | L | 90.6 | Very high | 88.5 | Confident | 104 Ų | 104 | 37.9 Ų | 37.9 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131.6 | 178.2 | -79 | 171.4 | 0 | 0 | 0 | 111.1 | S833 Q887 K888 Y891 | L831-S833 PolarHBondContact O-N 2.83Å; L831-Q887 VanDerWaalsContact CD2-C 3.46Å; L831-K888 HydrophobicContact CD2-CB 4.4Å; L831-Y891 HydrophobicContact CD2-CE2 3.64Å; L831-Y891 HydrophobicContact CG-CE2 3.96Å; L831-Y891 PolarHBondContact N-OH 2.87Å |
| 832 | G | 87.7 | Confident | 89.1 | Confident | 40 Ų | 40 | 42 Ų | 42 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -13.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E830 V886 | E830-G832 PolarHBondContact O-N 2.9Å; G832-V886 PolarHBondContact N-O 2.75Å |
| 833 | S | 91.5 | Very high | 89.7 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -83.5 | 177 | 172.2 | 77.6 | 0 | 0 | 0 | 0 | 112.3 | S829 E830 L831 K885 V886 | S829-S833 PolarHBondContact OG-OG 2.99Å; E830-S833 WeakPolarHBondContact CG-OG 3.45Å; E830-S833 PolarHBondContact N-OG 3.49Å; E830-S833 WeakPolarHBondContact O-CB 3.19Å; E830-S833 PolarHBondContact O-N 3.33Å; E830-S833 PolarHBondContact O-OG 2.9Å; L831-S833 PolarHBondContact O-N 2.83Å; S833-K885 WeakPolarHBondContact O-CA 3.33Å; S833-V886 WeakPolarHBondContact O-CG2 3.41Å; S833-V886 PolarHBondContact O-N 2.77Å |
| 834 | Q | 90.6 | Very high | 90.5 | Very high | 119 Ų | 119 | 37.4 Ų | 37.4 | 56% | 0.556 | 20% | 0.197 | S | C | * | . | trans | -88.7 | 134.8 | 174.6 | -178.4 | 176 | 91.5 | 0 | 0 | 110.8 | S829 V882 V883 | S829-Q834 VanDerWaalsContact OG-C 3.29Å; S829-Q834 PolarHBondContact OG-O 2.85Å; Q834-V882 HydrophobicContact CG-CG1 3.59Å; Q834-V883 VanDerWaalsContact CA-O 3.28Å; Q834-V883 WeakPolarHBondContact CA-O 3.26Å; Q834-V883 WeakPolarHBondContact CG-O 3.38Å | ||
| 835 | A | 90.3 | Very high | 91 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 148.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S829 L837 V882 V883 V886 L911 | S829-A835 PolarHBondContact OG-N 3.2Å; A835-L837 HydrophobicContact CB-CD1 4.41Å; A835-V882 CarbonylContact O-C 3.59Å; A835-V882 WeakPolarHBondContact O-CA 3.23Å; A835-V883 HydrophobicContact CB-CB 4.11Å; A835-V883 HydrophobicContact CB-CG2 4.25Å; A835-V883 PolarHBondContact N-O 3.31Å; A835-V883 PolarHBondContact O-N 3.15Å; A835-V886 HydrophobicContact CB-CG2 3.65Å; A835-L911 HydrophobicContact CB-CD1 3.64Å; A835-L911 HydrophobicContact CB-CD2 3.81Å; A835-L911 HydrophobicContact CB-CG 4.42Å |
| 836 | T | 91.4 | Very high | 91.2 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 37% | 0.368 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 114.8 | 167.5 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | K880 L881 V882 | T836-K880 HydrophobicContact CG2-CB 3.92Å; T836-K880 HydrophobicContact CG2-CD 4.01Å; T836-K880 HydrophobicContact CG2-CG 3.99Å; T836-L881 CarbonylContact C-O 3.57Å; T836-L881 WeakPolarHBondContact CA-O 3.29Å; T836-V882 HydrophobicContact CG2-CG2 4.25Å |
| 837 | L | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.6 | 172.6 | -60.3 | 78.2 | 0 | 0 | 0 | 108.5 | S827 A835 W851 K880 L881 V883 Y894 I909 L911 | S827-L837 WeakPolarHBondContact OG-CA 3.1Å; A835-L837 HydrophobicContact CB-CD1 4.41Å; L837-W851 HydrophobicContact CB-CH2 3.73Å; L837-W851 HydrophobicContact CB-CZ3 3.87Å; L837-W851 HydrophobicContact CD2-CZ3 4.21Å; L837-K880 CarbonylContact O-C 3.57Å; L837-K880 WeakPolarHBondContact O-CA 3.29Å; L837-L881 HydrophobicContact CB-CB 4.34Å; L837-L881 HydrophobicContact CD1-CD2 4.44Å; L837-L881 PolarHBondContact N-O 2.77Å; L837-L881 PolarHBondContact O-N 2.77Å; L837-V883 HydrophobicContact CD1-CG2 4Å; L837-Y894 HydrophobicContact CD2-CD2 3.54Å; L837-Y894 HydrophobicContact CD2-CE2 4.42Å; L837-Y894 HydrophobicContact CD2-CG 3.7Å; L837-I909 HydrophobicContact CB-CG2 4.48Å; L837-I909 HydrophobicContact CD2-CB 4.32Å; L837-I909 HydrophobicContact CD2-CG2 4.12Å; L837-I909 HydrophobicContact CG-CG2 4.47Å; L837-L911 HydrophobicContact CD1-CD2 4.45Å |
| 838 | R | 93 | Very high | 91.4 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126 | -171.5 | -178.2 | -170.1 | -170 | -156.8 | -0.3 | 110.5 | Y824 E878 K880 I909 | Y824-R838 WeakPolarHBondContact CD2-O 3.34Å; Y824-R838 HydrophobicContact CG-CG 4.48Å; R838-E878 IonicContact CZ-OE1 2.6Å; R838-E878 IonicContact NE-OE1 3.67Å; R838-E878 PolarHBondContact NE-OE1 2.83Å; R838-E878 IonicContact NH2-OE1 3.87Å; R838-E878 PolarHBondContact NH2-OE1 3.32Å; R838-K880 HydrophobicContact CB-CG 4.35Å; R838-K880 HydrophobicContact CG-CG 4.31Å; R838-I909 WeakPolarHBondContact O-CD1 3.36Å |
| 839 | C | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.2 | 178.5 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | I818 W849 W851 E878 S879 C896 I909 | I818-C839 VanDerWaalsContact CG2-SG 3.6Å; C839-W849 HydrophobicContact CB-CH2 4.48Å; C839-W849 HydrophobicContact CB-CZ3 4.04Å; C839-W851 HydrophobicContact CB-CH2 3.79Å; C839-W851 HydrophobicContact CB-CZ2 3.67Å; C839-E878 WeakPolarHBondContact O-CA 3.44Å; C839-S879 PolarHBondContact N-O 3.02Å; C839-S879 PolarHBondContact O-N 3.11Å; C839-S879 VanDerWaalsContact O-O 3.09Å; C839-C896 HydrophobicContact CB-CB 3.51Å; C839-C896 WeakPolarHBondContact CB-SG 3.5Å; C839-C896 WeakPolarHBondContact SG-CB 3.47Å; C839-C896 CovalentContact SG-SG 2.05Å; C839-C896 PolarHBondContact SG-SG 3.27Å; C839-I909 HydrophobicContact CB-CD1 4.11Å |
| 840 | I | 93.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.9 | -177.8 | -52.3 | -176.9 | 0 | 0 | 0 | 108 | I818 H819 Y824 E876 Y877 E878 | I818-I840 CarbonylContact C-O 3.54Å; I818-I840 WeakPolarHBondContact CA-O 3.23Å; H819-I840 PolarHBondContact N-O 2.77Å; Y824-I840 HydrophobicContact CE1-CD1 3.86Å; Y824-I840 HydrophobicContact CE2-CB 4.36Å; Y824-I840 HydrophobicContact CE2-CD1 4.25Å; Y824-I840 HydrophobicContact CE2-CG1 4.06Å; I840-E876 HydrophobicContact CG2-CG 3.86Å; I840-Y877 CarbonylContact C-O 3.48Å; I840-Y877 WeakPolarHBondContact CA-O 3.31Å; I840-Y877 WeakPolarHBondContact CG2-O 3.41Å; I840-E878 HydrophobicContact CG1-CB 4.38Å; I840-E878 HydrophobicContact CG1-CG 4.42Å |
| 841 | A | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P816 V817 I818 I847 W849 Y877 A898 | P816-A841 HydrophobicContact CB-CB 4.45Å; V817-A841 CarbonylContact O-C 3.59Å; V817-A841 VanDerWaalsContact O-CA 3.25Å; V817-A841 WeakPolarHBondContact O-CA 3.34Å; I818-A841 HydrophobicContact CG1-CB 4.07Å; A841-I847 HydrophobicContact CB-CD1 3.97Å; A841-W849 HydrophobicContact CB-CH2 3.5Å; A841-W849 HydrophobicContact CB-CZ2 3.75Å; A841-W849 HydrophobicContact CB-CZ3 4.48Å; A841-Y877 PolarHBondContact N-O 2.73Å; A841-Y877 PolarHBondContact O-N 2.96Å; A841-A898 HydrophobicContact CB-CB 3.86Å |
| 842 | K | 92.2 | Very high | 91.7 | Very high | 94 Ų | 94 | 42.2 Ų | 42.2 | 41% | 0.409 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.6 | 166 | -69.3 | -176.5 | 178.4 | -177.9 | 0 | 110.8 | P816 V817 I875 E876 | P816-K842 CarbonylContact C-O 3.59Å; P816-K842 VanDerWaalsContact CA-O 3.24Å; P816-K842 WeakPolarHBondContact CA-O 3.45Å; V817-K842 PolarHBondContact N-O 2.78Å; V817-K842 PolarHBondContact O-N 2.96Å; K842-I875 CarbonylContact C-O 3.51Å; K842-I875 WeakPolarHBondContact CA-O 3.45Å; K842-E876 WeakPolarHBondContact CE-OE1 3.39Å; K842-E876 HydrophobicContact CG-CB 4.19Å; K842-E876 HydrophobicContact CG-CG 4.03Å |
| 843 | G | 90.7 | Very high | 92 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | 155.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H814 I875 Y877 | H814-G843 WeakPolarHBondContact NE2-CA 3.3Å; H814-G843 PolarHBondContact NE2-N 3.36Å; G843-I875 PolarHBondContact N-O 2.86Å; G843-I875 WeakPolarHBondContact O-CA 3.17Å; G843-Y877 WeakPolarHBondContact O-CE2 3.37Å |
| 844 | A | 91.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 139.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | M733 V811 S813 H814 I875 N900 | M733-A844 HydrophobicContact CE-CB 4.42Å; V811-A844 HydrophobicContact CG1-CB 3.77Å; S813-A844 CarbonylContact C-O 3.54Å; S813-A844 VanDerWaalsContact CA-O 3.28Å; S813-A844 WeakPolarHBondContact CA-O 3.46Å; H814-A844 PolarHBondContact N-O 3.36Å; H814-A844 PolarHBondContact O-N 2.81Å; A844-I875 HydrophobicContact CB-CG2 4.34Å; A844-N900 PolarHBondContact O-ND2 2.91Å |
| 845 | P | 88.5 | Confident | 91.7 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 24% | 0.24 | 21% | 0.205 | C | C | . | . | S | Bend | cis | -72.4 | -167.8 | -0.4 | 34.7 | -38.8 | 0 | 0 | 0 | 112.8 | N900 E901 | P845-N900 PolarHBondContact O-ND2 3.05Å; P845-N900 VanDerWaalsContact O-ND2 3.08Å; P845-E901 WeakPolarHBondContact CD-OE1 3.32Å; P845-E901 HydrophobicContact CG-CG 3.99Å; P845-E901 VanDerWaalsContact CG-OE1 3.28Å; P845-E901 WeakPolarHBondContact CG-OE1 3.45Å |
| 846 | E | 88.1 | Confident | 91.4 | Very high | 145 Ų | 145 | 42.8 Ų | 42.8 | 68% | 0.678 | 22% | 0.222 | S | C | * | . | trans | -42.3 | 138.7 | -170.3 | -62.9 | -171.5 | 168.2 | 0 | 0 | 115.1 | Y877 N900 | E846-Y877 HydrophobicContact CB-CE1 4.48Å; E846-N900 WeakPolarHBondContact O-CB 3Å | ||
| 847 | I | 93.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | trans | -99.4 | 118.7 | -175.3 | -55.7 | -179.6 | 0 | 0 | 0 | 110.5 | P816 A841 W849 Y877 A898 | P816-I847 HydrophobicContact CB-CD1 4.14Å; P816-I847 HydrophobicContact CB-CG2 4.34Å; P816-I847 HydrophobicContact CG-CD1 4.43Å; P816-I847 HydrophobicContact CG-CG1 4.34Å; P816-I847 HydrophobicContact CG-CG2 4.27Å; A841-I847 HydrophobicContact CB-CD1 3.97Å; I847-W849 HydrophobicContact CG2-CD2 4.42Å; I847-W849 HydrophobicContact CG2-CZ2 4.22Å; I847-W849 PolarHBondContact O-NE1 3.03Å; I847-Y877 HydrophobicContact CB-CD1 4.33Å; I847-Y877 HydrophobicContact CB-CD2 4.12Å; I847-Y877 HydrophobicContact CB-CG 3.98Å; I847-Y877 HydrophobicContact CD1-CD2 3.39Å; I847-Y877 HydrophobicContact CD1-CE2 4.06Å; I847-Y877 HydrophobicContact CD1-CG 3.98Å; I847-Y877 HydrophobicContact CG1-CD2 3.63Å; I847-Y877 HydrophobicContact CG1-CE2 3.97Å; I847-Y877 HydrophobicContact CG1-CG 4.03Å; I847-A898 HydrophobicContact CG2-CB 3.82Å | ||
| 848 | T | 93.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 150.1 | 167 | 64 | 0 | 0 | 0 | 0 | 111.2 | R899 | T848-R899 PolarHBondContact N-O 2.68Å; T848-R899 PolarHBondContact O-N 3.39Å; T848-R899 PolarHBondContact OG1-O 2.83Å |
| 849 | W | 93.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 47 Ų | 47 | 17% | 0.167 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.1 | -170.7 | -69.6 | 93 | 0 | 0 | 0 | 112.4 | C839 A841 I847 T869 Y877 S879 C896 I897 A898 | C839-W849 HydrophobicContact CB-CH2 4.48Å; C839-W849 HydrophobicContact CB-CZ3 4.04Å; A841-W849 HydrophobicContact CB-CH2 3.5Å; A841-W849 HydrophobicContact CB-CZ2 3.75Å; A841-W849 HydrophobicContact CB-CZ3 4.48Å; I847-W849 HydrophobicContact CG2-CD2 4.42Å; I847-W849 HydrophobicContact CG2-CZ2 4.22Å; I847-W849 PolarHBondContact O-NE1 3.03Å; W849-T869 HydrophobicContact CB-CG2 3.99Å; W849-T869 HydrophobicContact CG-CG2 3.91Å; W849-Y877 WeakPolarHBondContact CZ2-O 2.96Å; W849-S879 VanDerWaalsContact CE3-CB 3.46Å; W849-C896 HydrophobicContact CZ3-CB 4.46Å; W849-I897 WeakPolarHBondContact CA-O 3.34Å; W849-A898 HydrophobicContact CD2-CB 4.47Å; W849-A898 HydrophobicContact CE3-CB 4Å; W849-A898 HydrophobicContact CH2-CB 3.99Å; W849-A898 HydrophobicContact CZ2-CB 4.43Å; W849-A898 HydrophobicContact CZ3-CB 3.73Å |
| 850 | Q | 92.4 | Very high | 89.7 | Confident | 91 Ų | 91 | 51.1 Ų | 51.1 | 43% | 0.425 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.3 | 171.9 | -178.3 | -178.3 | 27.3 | 0 | 0 | 109.9 | I897 | Q850-I897 HydrophobicContact CB-CB 4.22Å; Q850-I897 PolarHBondContact N-O 2.71Å; Q850-I897 PolarHBondContact O-N 3.35Å |
| 851 | W | 93.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149.9 | 169.6 | -68.3 | 81.9 | 0 | 0 | 0 | 110.9 | L837 C839 L859 Y861 T867 S879 L881 R895 C896 I909 | L837-W851 HydrophobicContact CB-CH2 3.73Å; L837-W851 HydrophobicContact CB-CZ3 3.87Å; L837-W851 HydrophobicContact CD2-CZ3 4.21Å; C839-W851 HydrophobicContact CB-CH2 3.79Å; C839-W851 HydrophobicContact CB-CZ2 3.67Å; W851-L859 HydrophobicContact CB-CD1 3.89Å; W851-Y861 WeakPolarHBondContact CB-OH 3.21Å; W851-Y861 PolarHBondContact N-OH 2.94Å; W851-Y861 PolarHBondContact O-OH 2.91Å; W851-T867 HydrophobicContact CG-CG2 4.39Å; W851-S879 PolarHBondContact NE1-OG 2.89Å; W851-L881 HydrophobicContact CB-CD1 4.33Å; W851-L881 HydrophobicContact CB-CD2 4.19Å; W851-L881 HydrophobicContact CD2-CB 3.54Å; W851-L881 HydrophobicContact CD2-CD2 4.07Å; W851-L881 HydrophobicContact CD2-CG 4.33Å; W851-L881 HydrophobicContact CE3-CB 3.82Å; W851-L881 HydrophobicContact CE3-CD2 3.78Å; W851-L881 HydrophobicContact CE3-CG 4.43Å; W851-L881 HydrophobicContact CG-CB 3.92Å; W851-L881 HydrophobicContact CG-CD1 4.42Å; W851-L881 HydrophobicContact CG-CD2 4.28Å; W851-L881 HydrophobicContact CG-CG 4.44Å; W851-L881 HydrophobicContact CH2-CB 4.19Å; W851-L881 HydrophobicContact CZ2-CB 3.97Å; W851-L881 HydrophobicContact CZ3-CB 4.13Å; W851-L881 HydrophobicContact CZ3-CD2 4.41Å; W851-R895 WeakPolarHBondContact CA-O 3.49Å; W851-C896 HydrophobicContact CD2-CB 3.9Å; W851-C896 HydrophobicContact CE3-CB 3.87Å; W851-C896 HydrophobicContact CH2-CB 3.82Å; W851-C896 HydrophobicContact CZ2-CB 3.81Å; W851-C896 HydrophobicContact CZ3-CB 3.83Å; W851-I909 HydrophobicContact CH2-CD1 3.85Å; W851-I909 HydrophobicContact CZ3-CD1 4.13Å |
| 852 | Q | 92 | Very high | 87.6 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 168.7 | 172.8 | 57.4 | 171.3 | 78.7 | 0 | 0 | 109.6 | Y894 R895 I897 | Q852-Y894 CarbonylContact O-C 3.55Å; Q852-Y894 WeakPolarHBondContact O-CA 3.32Å; Q852-R895 HydrophobicContact CG-CB 3.93Å; Q852-R895 HydrophobicContact CG-CG 4.46Å; Q852-R895 PolarHBondContact N-O 3.38Å; Q852-R895 VanDerWaalsContact N-O 3.1Å; Q852-R895 PolarHBondContact O-N 3.02Å; Q852-I897 HydrophobicContact CG-CD1 4.23Å |
| 853 | R | 92.3 | Very high | 86.9 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 150.6 | 165 | -66.1 | -176.4 | 177.8 | -104.8 | -0.3 | 109.9 | N855 G856 E857 L859 E889 D890 Y894 | R853-N855 VanDerWaalsContact C-N 3.25Å; R853-N855 WeakPolarHBondContact CB-OD1 3.38Å; R853-N855 PolarHBondContact O-N 2.87Å; R853-G856 PolarHBondContact O-N 3.05Å; R853-E857 HydrophobicContact CB-CB 4.12Å; R853-E857 VanDerWaalsContact CD-OE2 3.28Å; R853-E857 WeakPolarHBondContact CD-OE2 3.45Å; R853-E857 HydrophobicContact CG-CB 4.44Å; R853-E857 PolarHBondContact N-O 3Å; R853-L859 HydrophobicContact CG-CD2 3.8Å; R853-E889 PolarHBondContact NH1-O 3.1Å; R853-D890 IonicContact NH2-OD1 2.77Å; R853-D890 PolarHBondContact NH2-OD1 2.79Å; R853-Y894 HydrophobicContact CG-CD1 4.43Å; R853-Y894 HydrophobicContact CG-CE1 4.24Å; R853-Y894 PolarHBondContact NH2-OH 3.34Å |
| 854 | A | 89.8 | Confident | 86.7 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G856 N893 R895 D908 | A854-G856 PolarHBondContact O-N 2.63Å; A854-N893 HydrophobicContact CB-CB 3.58Å; A854-N893 VanDerWaalsContact CB-O 3.29Å; A854-N893 WeakPolarHBondContact CB-O 3.18Å; A854-N893 PolarHBondContact N-O 3.23Å; A854-R895 VanDerWaalsContact O-CZ 3.28Å; A854-R895 PolarHBondContact O-NH1 3.06Å; A854-R895 PolarHBondContact O-NH2 2.93Å; A854-D908 WeakPolarHBondContact CB-OD2 2.91Å |
| 855 | N | 87.4 | Confident | 86.6 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 60% | 0.599 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.5 | 171.8 | 62.6 | -3.4 | 0 | 0 | 0 | 113.8 | R853 E857 | R853-N855 VanDerWaalsContact C-N 3.25Å; R853-N855 WeakPolarHBondContact CB-OD1 3.38Å; R853-N855 PolarHBondContact O-N 2.87Å; N855-E857 PolarHBondContact ND2-OE2 2.73Å; N855-E857 PolarHBondContact OD1-N 2.79Å; N855-E857 VanDerWaalsContact OD1-N 3.12Å |
| 856 | G | 82.6 | Confident | 86.7 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 105.8 | -10.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R853 A854 Q858 | R853-G856 PolarHBondContact O-N 3.05Å; A854-G856 PolarHBondContact O-N 2.63Å; G856-Q858 PolarHBondContact O-N 3.4Å |
| 857 | E | 85.7 | Confident | 86.8 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 133.3 | 178.6 | -67.2 | 168.3 | 160.7 | 0 | 0 | 111 | R853 N855 | R853-E857 HydrophobicContact CB-CB 4.12Å; R853-E857 VanDerWaalsContact CD-OE2 3.28Å; R853-E857 WeakPolarHBondContact CD-OE2 3.45Å; R853-E857 HydrophobicContact CG-CB 4.44Å; R853-E857 PolarHBondContact N-O 3Å; N855-E857 PolarHBondContact ND2-OE2 2.73Å; N855-E857 PolarHBondContact OD1-N 2.79Å; N855-E857 VanDerWaalsContact OD1-N 3.12Å |
| 858 | Q | 83.1 | Confident | 86.7 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 150.6 | 174.7 | -65.3 | -57.2 | -50.2 | 0 | 0 | 110.5 | G856 | G856-Q858 PolarHBondContact O-N 3.4Š|
| 859 | L | 85.5 | Confident | 86.6 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 138.1 | 176.8 | -61.1 | 174.7 | 0 | 0 | 0 | 110 | W851 R853 Y861 F865 L881 Y894 | W851-L859 HydrophobicContact CB-CD1 3.89Å; R853-L859 HydrophobicContact CG-CD2 3.8Å; L859-Y861 HydrophobicContact CB-CD2 4.33Å; L859-Y861 HydrophobicContact CB-CE1 4.32Å; L859-Y861 HydrophobicContact CB-CE2 3.91Å; L859-Y861 HydrophobicContact CD1-CE1 4.5Å; L859-Y861 WeakPolarHBondContact O-CD2 3.48Å; L859-Y861 PolarHBondContact O-N 3.5Å; L859-F865 HydrophobicContact CB-CB 4.28Å; L859-F865 HydrophobicContact CB-CD2 4.21Å; L859-F865 HydrophobicContact CB-CG 4.14Å; L859-F865 HydrophobicContact CD1-CD1 4.4Å; L859-F865 HydrophobicContact CD2-CD1 4.21Å; L859-F865 HydrophobicContact CD2-CD2 4.36Å; L859-F865 HydrophobicContact CD2-CE1 4.15Å; L859-F865 HydrophobicContact CD2-CE2 4.31Å; L859-F865 HydrophobicContact CD2-CG 4.33Å; L859-F865 HydrophobicContact CD2-CZ 4.21Å; L859-L881 HydrophobicContact CD1-CD1 3.89Å; L859-L881 HydrophobicContact CD1-CD2 3.71Å; L859-L881 HydrophobicContact CD1-CG 4.49Å; L859-Y894 HydrophobicContact CD1-CD1 4.14Å; L859-Y894 HydrophobicContact CD1-CE1 4.4Å; L859-Y894 HydrophobicContact CD2-CD1 3.98Å; L859-Y894 HydrophobicContact CD2-CE1 3.62Å |
| 860 | D | 81.4 | Confident | 86.6 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | trans | -75.5 | 81.2 | 170.1 | -176.5 | 35.5 | 0 | 0 | 0 | 109.3 | L863 F865 | D860-L863 WeakPolarHBondContact OD2-CB 3.33Å; D860-L863 WeakPolarHBondContact OD2-CD1 3.41Å; D860-F865 WeakPolarHBondContact O-CD2 3.29Å; D860-F865 PolarHBondContact O-N 2.84Å | ||
| 861 | Y | 75.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 28% | 0.275 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -60.2 | 163.2 | 170 | -63.8 | -73 | 0 | 0 | 0 | 110.2 | W851 L859 L863 F865 T867 | W851-Y861 WeakPolarHBondContact CB-OH 3.21Å; W851-Y861 PolarHBondContact N-OH 2.94Å; W851-Y861 PolarHBondContact O-OH 2.91Å; L859-Y861 HydrophobicContact CB-CD2 4.33Å; L859-Y861 HydrophobicContact CB-CE1 4.32Å; L859-Y861 HydrophobicContact CB-CE2 3.91Å; L859-Y861 HydrophobicContact CD1-CE1 4.5Å; L859-Y861 WeakPolarHBondContact O-CD2 3.48Å; L859-Y861 PolarHBondContact O-N 3.5Å; Y861-L863 VanDerWaalsContact C-N 3.28Å; Y861-L863 PolarHBondContact O-N 2.9Å; Y861-F865 HydrophobicContact CD1-CB 4.36Å; Y861-T867 HydrophobicContact CE1-CG2 3.84Å |
| 862 | D | 67.5 | Low | 86.3 | Confident | 152 Ų | 152 | 76.3 Ų | 76.3 | 81% | 0.813 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | -58 | -171.9 | -51.1 | -32.5 | 0 | 0 | 0 | 114.9 | F865 K884 | D862-F865 PolarHBondContact N-O 2.87Å; D862-K884 PolarHBondContact O-NZ 3.43Å |
| 863 | L | 76.5 | Confident | 86.2 | Confident | 122 Ų | 122 | 76.4 Ų | 76.4 | 64% | 0.639 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -67.1 | -176.2 | -84.9 | 162.6 | 0 | 0 | 0 | 112.1 | D860 Y861 K884 | D860-L863 WeakPolarHBondContact OD2-CB 3.33Å; D860-L863 WeakPolarHBondContact OD2-CD1 3.41Å; Y861-L863 VanDerWaalsContact C-N 3.28Å; Y861-L863 PolarHBondContact O-N 2.9Å; L863-K884 PolarHBondContact O-NZ 2.61Å |
| 864 | R | 87.2 | Confident | 86.1 | Confident | 67 Ų | 67 | 76.5 Ų | 76.5 | 25% | 0.253 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -32.5 | -170.3 | -78.3 | 170.5 | 59.5 | 176.5 | -0.6 | 115 | K884 Q887 D890 | R864-K884 WeakPolarHBondContact O-CG 3.28Å; R864-K884 PolarHBondContact O-N 2.8Å; R864-Q887 VanDerWaalsContact CZ-OE1 3.27Å; R864-Q887 VanDerWaalsContact NH2-CD 3.31Å; R864-D890 IonicContact CZ-OD2 3.86Å; R864-D890 VanDerWaalsContact NH2-CG 3.32Å; R864-D890 IonicContact NH2-OD1 2.66Å; R864-D890 PolarHBondContact NH2-OD1 3.07Å; R864-D890 IonicContact NH2-OD2 2.65Å; R864-D890 PolarHBondContact NH2-OD2 2.8Å |
| 865 | F | 90.1 | Very high | 86 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 5% | 0.048 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.5 | -178.8 | -62.2 | -80.8 | 0 | 0 | 0 | 109.5 | L859 D860 Y861 D862 L881 V882 V883 Y894 | L859-F865 HydrophobicContact CB-CB 4.28Å; L859-F865 HydrophobicContact CB-CD2 4.21Å; L859-F865 HydrophobicContact CB-CG 4.14Å; L859-F865 HydrophobicContact CD1-CD1 4.4Å; L859-F865 HydrophobicContact CD2-CD1 4.21Å; L859-F865 HydrophobicContact CD2-CD2 4.36Å; L859-F865 HydrophobicContact CD2-CE1 4.15Å; L859-F865 HydrophobicContact CD2-CE2 4.31Å; L859-F865 HydrophobicContact CD2-CG 4.33Å; L859-F865 HydrophobicContact CD2-CZ 4.21Å; D860-F865 WeakPolarHBondContact O-CD2 3.29Å; D860-F865 PolarHBondContact O-N 2.84Å; Y861-F865 HydrophobicContact CD1-CB 4.36Å; D862-F865 PolarHBondContact N-O 2.87Å; F865-L881 HydrophobicContact CB-CD1 4.15Å; F865-L881 HydrophobicContact CD1-CD1 4.2Å; F865-V882 WeakPolarHBondContact CA-O 3.36Å; F865-V883 HydrophobicContact CD1-CB 4.44Å; F865-V883 HydrophobicContact CD1-CG1 4.29Å; F865-V883 HydrophobicContact CD1-CG2 3.89Å; F865-V883 HydrophobicContact CE1-CB 4.22Å; F865-V883 HydrophobicContact CE1-CG1 3.73Å; F865-V883 HydrophobicContact CE1-CG2 3.66Å; F865-V883 HydrophobicContact CZ-CG1 4.26Å; F865-Y894 HydrophobicContact CD1-CE1 4.37Å; F865-Y894 AromaticContact CE1-CE1 3.7Å; F865-Y894 HydrophobicContact CE1-CE1 3.7Å; F865-Y894 HydrophobicContact CZ-CE1 4.35Å |
| 866 | N | 89.7 | Confident | 86.2 | Confident | 75 Ų | 75 | 73 Ų | 73 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.4 | 174.5 | -177.7 | 41.3 | 0 | 0 | 0 | 109.9 | V882 | N866-V882 HydrophobicContact CB-CB 4.47Å; N866-V882 PolarHBondContact N-O 2.01Å; N866-V882 PolarHBondContact O-N 2.9Å |
| 867 | T | 90.1 | Very high | 86.8 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.3 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | W851 Y861 K880 L881 | W851-T867 HydrophobicContact CG-CG2 4.39Å; Y861-T867 HydrophobicContact CE1-CG2 3.84Å; T867-K880 CarbonylContact C-O 3.58Å; T867-K880 VanDerWaalsContact CA-O 3.24Å; T867-K880 WeakPolarHBondContact CA-O 3.35Å; T867-L881 HydrophobicContact CG2-CD1 3.95Å |
| 868 | M | 90.6 | Very high | 87.2 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 129.8 | 173.9 | -61.2 | -176.7 | -61.5 | 0 | 0 | 109 | S879 K880 V882 | M868-S879 CarbonylContact O-C 3.56Å; M868-S879 WeakPolarHBondContact O-CA 3.45Å; M868-K880 HydrophobicContact CE-CB 4.36Å; M868-K880 HydrophobicContact CE-CD 4.36Å; M868-K880 PolarHBondContact N-O 3.07Å; M868-K880 PolarHBondContact O-N 2.83Å; M868-V882 HydrophobicContact CE-CG2 3.77Å |
| 869 | T | 92.7 | Very high | 87.7 | Confident | 96 Ų | 96 | 61.9 Ų | 61.9 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148 | 178 | 50 | 0 | 0 | 0 | 0 | 111.1 | W849 E878 | W849-T869 HydrophobicContact CB-CG2 3.99Å; W849-T869 HydrophobicContact CG-CG2 3.91Å; T869-E878 CarbonylContact C-O 3.45Å; T869-E878 VanDerWaalsContact CA-O 3.27Å; T869-E878 WeakPolarHBondContact CA-O 3.35Å |
| 870 | K | 92.7 | Very high | 88.1 | Confident | 131 Ų | 131 | 64.2 Ų | 64.2 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 132.2 | 178.8 | 179.1 | 179.6 | 178.2 | -177 | 0 | 111.1 | Y877 E878 | K870-Y877 WeakPolarHBondContact O-CA 3.38Å; K870-E878 PolarHBondContact N-O 2.9Å; K870-E878 PolarHBondContact O-N 3.43Å |
| 871 | Q | 91.8 | Very high | 88.7 | Confident | 101 Ų | 101 | 60 Ų | 60 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 121.6 | 164.1 | -166.2 | 178.2 | 36.5 | 0 | 0 | 109.2 | S873 Y877 | Q871-S873 WeakPolarHBondContact CG-O 3.29Å; Q871-Y877 HydrophobicContact CB-CD1 4.15Å; Q871-Y877 HydrophobicContact CB-CE1 4.11Å; Q871-Y877 HydrophobicContact CG-CD1 4.07Å; Q871-Y877 HydrophobicContact CG-CE1 3.68Å; Q871-Y877 PolarHBondContact NE2-OH 2.9Å |
| 872 | I | 88.1 | Confident | 89.5 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -39.5 | 176.9 | -60.8 | -178.2 | 0 | 0 | 0 | 110 | E876 E878 | I872-E876 WeakPolarHBondContact CA-O 3.3Å; I872-E876 HydrophobicContact CB-CB 4.41Å; I872-E876 HydrophobicContact CB-CG 4.42Å; I872-E876 WeakPolarHBondContact CB-O 3.24Å; I872-E876 PolarHBondContact N-O 2.73Å; I872-E878 HydrophobicContact CD1-CB 3.86Å; I872-E878 HydrophobicContact CG1-CB 4.24Å |
| 873 | S | 89.9 | Confident | 90.7 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 170.4 | 172.6 | 75.3 | 0 | 0 | 0 | 0 | 109.2 | Q871 I875 E876 | Q871-S873 WeakPolarHBondContact CG-O 3.29Å; S873-I875 PolarHBondContact O-N 2.65Å; S873-E876 PolarHBondContact N-O 3.27Å; S873-E876 VanDerWaalsContact N-O 3.14Å; S873-E876 PolarHBondContact O-N 2.96Å; S873-E876 VanDerWaalsContact OG-CB 3.28Å; S873-E876 WeakPolarHBondContact OG-CB 3.17Å; S873-E876 PolarHBondContact OG-N 2.8Å |
| 874 | P | 89.1 | Confident | 91.1 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -28 | 179.1 | -29.5 | 37.4 | 0 | 0 | 0 | 114.8 | W809 V811 Y877 | W809-P874 HydrophobicContact CD2-CG 3.8Å; W809-P874 HydrophobicContact CE3-CG 3.99Å; W809-P874 HydrophobicContact CG-CG 4.09Å; W809-P874 HydrophobicContact CZ3-CG 4.48Å; V811-P874 HydrophobicContact CG1-CB 4.41Å; V811-P874 HydrophobicContact CG2-CB 3.58Å; V811-P874 HydrophobicContact CG2-CG 4.32Å; P874-Y877 PolarHBondContact O-OH 3.35Å |
| 875 | I | 89.5 | Confident | 91.2 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -7.8 | 177.6 | 61.1 | 173 | 0 | 0 | 0 | 115 | V811 K842 G843 A844 S873 | V811-I875 HydrophobicContact CG1-CG2 3.73Å; K842-I875 CarbonylContact C-O 3.51Å; K842-I875 WeakPolarHBondContact CA-O 3.45Å; G843-I875 PolarHBondContact N-O 2.86Å; G843-I875 WeakPolarHBondContact O-CA 3.17Å; A844-I875 HydrophobicContact CB-CG2 4.34Å; S873-I875 PolarHBondContact O-N 2.65Å |
| 876 | E | 91.8 | Very high | 91.2 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 21% | 0.206 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.4 | -169.6 | -169.4 | 171.4 | -122.1 | 0 | 0 | 111.3 | I840 K842 I872 S873 | I840-E876 HydrophobicContact CG2-CG 3.86Å; K842-E876 WeakPolarHBondContact CE-OE1 3.39Å; K842-E876 HydrophobicContact CG-CB 4.19Å; K842-E876 HydrophobicContact CG-CG 4.03Å; I872-E876 WeakPolarHBondContact CA-O 3.3Å; I872-E876 HydrophobicContact CB-CB 4.41Å; I872-E876 HydrophobicContact CB-CG 4.42Å; I872-E876 WeakPolarHBondContact CB-O 3.24Å; I872-E876 PolarHBondContact N-O 2.73Å; S873-E876 PolarHBondContact N-O 3.27Å; S873-E876 VanDerWaalsContact N-O 3.14Å; S873-E876 PolarHBondContact O-N 2.96Å; S873-E876 VanDerWaalsContact OG-CB 3.28Å; S873-E876 WeakPolarHBondContact OG-CB 3.17Å; S873-E876 PolarHBondContact OG-N 2.8Å |
| 877 | Y | 93.7 | Very high | 91.2 | Very high | 17 Ų | 17 | 52 Ų | 52 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.7 | -171.1 | -58.5 | -106.3 | 0 | 0 | 0 | 109.7 | I840 A841 G843 E846 I847 W849 K870 Q871 P874 | I840-Y877 CarbonylContact C-O 3.48Å; I840-Y877 WeakPolarHBondContact CA-O 3.31Å; I840-Y877 WeakPolarHBondContact CG2-O 3.41Å; A841-Y877 PolarHBondContact N-O 2.73Å; A841-Y877 PolarHBondContact O-N 2.96Å; G843-Y877 WeakPolarHBondContact O-CE2 3.37Å; E846-Y877 HydrophobicContact CB-CE1 4.48Å; I847-Y877 HydrophobicContact CB-CD1 4.33Å; I847-Y877 HydrophobicContact CB-CD2 4.12Å; I847-Y877 HydrophobicContact CB-CG 3.98Å; I847-Y877 HydrophobicContact CD1-CD2 3.39Å; I847-Y877 HydrophobicContact CD1-CE2 4.06Å; I847-Y877 HydrophobicContact CD1-CG 3.98Å; I847-Y877 HydrophobicContact CG1-CD2 3.63Å; I847-Y877 HydrophobicContact CG1-CE2 3.97Å; I847-Y877 HydrophobicContact CG1-CG 4.03Å; W849-Y877 WeakPolarHBondContact CZ2-O 2.96Å; K870-Y877 WeakPolarHBondContact O-CA 3.38Å; Q871-Y877 HydrophobicContact CB-CD1 4.15Å; Q871-Y877 HydrophobicContact CB-CE1 4.11Å; Q871-Y877 HydrophobicContact CG-CD1 4.07Å; Q871-Y877 HydrophobicContact CG-CE1 3.68Å; Q871-Y877 PolarHBondContact NE2-OH 2.9Å; P874-Y877 PolarHBondContact O-OH 3.35Å |
| 878 | E | 94 | Very high | 91.1 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.5 | 177.4 | 170.4 | 176.8 | -91 | 0 | 0 | 109.8 | R838 C839 I840 T869 K870 I872 K880 | R838-E878 IonicContact CZ-OE1 2.6Å; R838-E878 IonicContact NE-OE1 3.67Å; R838-E878 PolarHBondContact NE-OE1 2.83Å; R838-E878 IonicContact NH2-OE1 3.87Å; R838-E878 PolarHBondContact NH2-OE1 3.32Å; C839-E878 WeakPolarHBondContact O-CA 3.44Å; I840-E878 HydrophobicContact CG1-CB 4.38Å; I840-E878 HydrophobicContact CG1-CG 4.42Å; T869-E878 CarbonylContact C-O 3.45Å; T869-E878 VanDerWaalsContact CA-O 3.27Å; T869-E878 WeakPolarHBondContact CA-O 3.35Å; K870-E878 PolarHBondContact N-O 2.9Å; K870-E878 PolarHBondContact O-N 3.43Å; I872-E878 HydrophobicContact CD1-CB 3.86Å; I872-E878 HydrophobicContact CG1-CB 4.24Å; E878-K880 VanDerWaalsContact CD-CE 3.49Å; E878-K880 HydrophobicContact CG-CG 4.42Å; E878-K880 IonicContact OE1-NZ 3.92Å; E878-K880 WeakPolarHBondContact OE2-CE 3.39Å; E878-K880 IonicContact OE2-NZ 3.39Å; E878-K880 PolarHBondContact OE2-NZ 2.91Å |
| 879 | S | 95 | Very high | 91 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.8 | 166.9 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | C839 W849 W851 M868 | C839-S879 PolarHBondContact N-O 3.02Å; C839-S879 PolarHBondContact O-N 3.11Å; C839-S879 VanDerWaalsContact O-O 3.09Å; W849-S879 VanDerWaalsContact CE3-CB 3.46Å; W851-S879 PolarHBondContact NE1-OG 2.89Å; M868-S879 CarbonylContact O-C 3.56Å; M868-S879 WeakPolarHBondContact O-CA 3.45Å |
| 880 | K | 93.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.5 | 176.6 | -74.4 | 170.3 | -179.7 | 151.1 | 0 | 110.4 | T836 L837 R838 T867 M868 E878 | T836-K880 HydrophobicContact CG2-CB 3.92Å; T836-K880 HydrophobicContact CG2-CD 4.01Å; T836-K880 HydrophobicContact CG2-CG 3.99Å; L837-K880 CarbonylContact O-C 3.57Å; L837-K880 WeakPolarHBondContact O-CA 3.29Å; R838-K880 HydrophobicContact CB-CG 4.35Å; R838-K880 HydrophobicContact CG-CG 4.31Å; T867-K880 CarbonylContact C-O 3.58Å; T867-K880 VanDerWaalsContact CA-O 3.24Å; T867-K880 WeakPolarHBondContact CA-O 3.35Å; M868-K880 HydrophobicContact CE-CB 4.36Å; M868-K880 HydrophobicContact CE-CD 4.36Å; M868-K880 PolarHBondContact N-O 3.07Å; M868-K880 PolarHBondContact O-N 2.83Å; E878-K880 VanDerWaalsContact CD-CE 3.49Å; E878-K880 HydrophobicContact CG-CG 4.42Å; E878-K880 IonicContact OE1-NZ 3.92Å; E878-K880 WeakPolarHBondContact OE2-CE 3.39Å; E878-K880 IonicContact OE2-NZ 3.39Å; E878-K880 PolarHBondContact OE2-NZ 2.91Å |
| 881 | L | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.7 | 167.8 | 174.1 | 69.3 | 0 | 0 | 0 | 108.8 | T836 L837 W851 L859 F865 T867 Y894 | T836-L881 CarbonylContact C-O 3.57Å; T836-L881 WeakPolarHBondContact CA-O 3.29Å; L837-L881 HydrophobicContact CB-CB 4.34Å; L837-L881 HydrophobicContact CD1-CD2 4.44Å; L837-L881 PolarHBondContact N-O 2.77Å; L837-L881 PolarHBondContact O-N 2.77Å; W851-L881 HydrophobicContact CB-CD1 4.33Å; W851-L881 HydrophobicContact CB-CD2 4.19Å; W851-L881 HydrophobicContact CD2-CB 3.54Å; W851-L881 HydrophobicContact CD2-CD2 4.07Å; W851-L881 HydrophobicContact CD2-CG 4.33Å; W851-L881 HydrophobicContact CE3-CB 3.82Å; W851-L881 HydrophobicContact CE3-CD2 3.78Å; W851-L881 HydrophobicContact CE3-CG 4.43Å; W851-L881 HydrophobicContact CG-CB 3.92Å; W851-L881 HydrophobicContact CG-CD1 4.42Å; W851-L881 HydrophobicContact CG-CD2 4.28Å; W851-L881 HydrophobicContact CG-CG 4.44Å; W851-L881 HydrophobicContact CH2-CB 4.19Å; W851-L881 HydrophobicContact CZ2-CB 3.97Å; W851-L881 HydrophobicContact CZ3-CB 4.13Å; W851-L881 HydrophobicContact CZ3-CD2 4.41Å; L859-L881 HydrophobicContact CD1-CD1 3.89Å; L859-L881 HydrophobicContact CD1-CD2 3.71Å; L859-L881 HydrophobicContact CD1-CG 4.49Å; F865-L881 HydrophobicContact CB-CD1 4.15Å; F865-L881 HydrophobicContact CD1-CD1 4.2Å; T867-L881 HydrophobicContact CG2-CD1 3.95Å; L881-Y894 HydrophobicContact CD2-CD1 3.46Å; L881-Y894 VanDerWaalsContact CD2-CD1 3.46Å; L881-Y894 HydrophobicContact CD2-CE1 4.02Å; L881-Y894 HydrophobicContact CD2-CG 4Å |
| 882 | V | 91.7 | Very high | 90.8 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.3 | 179.3 | -177 | 0 | 0 | 0 | 0 | 109.2 | Q834 A835 T836 F865 N866 M868 | Q834-V882 HydrophobicContact CG-CG1 3.59Å; A835-V882 CarbonylContact O-C 3.59Å; A835-V882 WeakPolarHBondContact O-CA 3.23Å; T836-V882 HydrophobicContact CG2-CG2 4.25Å; F865-V882 WeakPolarHBondContact CA-O 3.36Å; N866-V882 HydrophobicContact CB-CB 4.47Å; N866-V882 PolarHBondContact N-O 2.01Å; N866-V882 PolarHBondContact O-N 2.9Å; M868-V882 HydrophobicContact CE-CG2 3.77Å |
| 883 | V | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 105.7 | 172.4 | -168.8 | 0 | 0 | 0 | 0 | 107.1 | Q834 A835 L837 F865 K885 V886 L911 | Q834-V883 VanDerWaalsContact CA-O 3.28Å; Q834-V883 WeakPolarHBondContact CA-O 3.26Å; Q834-V883 WeakPolarHBondContact CG-O 3.38Å; A835-V883 HydrophobicContact CB-CB 4.11Å; A835-V883 HydrophobicContact CB-CG2 4.25Å; A835-V883 PolarHBondContact N-O 3.31Å; A835-V883 PolarHBondContact O-N 3.15Å; L837-V883 HydrophobicContact CD1-CG2 4Å; F865-V883 HydrophobicContact CD1-CB 4.44Å; F865-V883 HydrophobicContact CD1-CG1 4.29Å; F865-V883 HydrophobicContact CD1-CG2 3.89Å; F865-V883 HydrophobicContact CE1-CB 4.22Å; F865-V883 HydrophobicContact CE1-CG1 3.73Å; F865-V883 HydrophobicContact CE1-CG2 3.66Å; F865-V883 HydrophobicContact CZ-CG1 4.26Å; V883-K885 VanDerWaalsContact C-N 3.32Å; V883-K885 PolarHBondContact O-N 2.89Å; V883-V886 HydrophobicContact CB-CG2 4.32Å; V883-V886 HydrophobicContact CG1-CG2 4.22Å; V883-L911 HydrophobicContact CG2-CD2 4.24Å |
| 884 | K | 86.3 | Confident | 91.3 | Very high | 100 Ų | 100 | 45.1 Ų | 45.1 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -60.9 | -36.5 | -169.2 | -67.2 | 174.5 | -166.2 | 162 | 0 | 114 | D862 L863 R864 | D862-K884 PolarHBondContact O-NZ 3.43Å; L863-K884 PolarHBondContact O-NZ 2.61Å; R864-K884 WeakPolarHBondContact O-CG 3.28Å; R864-K884 PolarHBondContact O-N 2.8Å |
| 885 | K | 88 | Confident | 91.5 | Very high | 132 Ų | 132 | 46 Ų | 46 | 57% | 0.574 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -146.6 | 101.5 | -177.9 | -173.3 | 176.6 | -172.8 | 176.6 | 0 | 109.5 | S833 V883 Q887 | S833-K885 WeakPolarHBondContact O-CA 3.33Å; V883-K885 VanDerWaalsContact C-N 3.32Å; V883-K885 PolarHBondContact O-N 2.89Å; K885-Q887 PolarHBondContact O-N 3.11Å |
| 886 | V | 90.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | trans | -68.1 | 127.7 | -175.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | G832 S833 A835 V883 D890 Y891 L911 | G832-V886 PolarHBondContact N-O 2.75Å; S833-V886 WeakPolarHBondContact O-CG2 3.41Å; S833-V886 PolarHBondContact O-N 2.77Å; A835-V886 HydrophobicContact CB-CG2 3.65Å; V883-V886 HydrophobicContact CB-CG2 4.32Å; V883-V886 HydrophobicContact CG1-CG2 4.22Å; V886-D890 HydrophobicContact CG1-CB 4.24Å; V886-Y891 HydrophobicContact CG1-CD1 4.44Å; V886-Y891 HydrophobicContact CG1-CE1 3.77Å; V886-Y891 HydrophobicContact CG1-CE2 4.07Å; V886-L911 HydrophobicContact CG2-CD2 4.27Å | ||
| 887 | Q | 90.5 | Very high | 91.9 | Very high | 86 Ų | 86 | 43.5 Ų | 43.5 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | trans | -106.8 | 172.6 | 170.1 | -66.4 | -176.1 | -26.3 | 0 | 0 | 111.4 | L831 R864 K885 E889 D890 | L831-Q887 VanDerWaalsContact CD2-C 3.46Å; R864-Q887 VanDerWaalsContact CZ-OE1 3.27Å; R864-Q887 VanDerWaalsContact NH2-CD 3.31Å; K885-Q887 PolarHBondContact O-N 3.11Å; Q887-E889 WeakPolarHBondContact CB-OE2 3.4Å; Q887-E889 PolarHBondContact O-N 2.72Å; Q887-D890 PolarHBondContact N-OD2 2.8Å; Q887-D890 WeakPolarHBondContact O-CB 3.15Å; Q887-D890 PolarHBondContact O-N 3.26Å | ||
| 888 | K | 88.4 | Confident | 92 | Very high | 155 Ų | 155 | 42.7 Ų | 42.7 | 67% | 0.674 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -64.8 | -30.4 | -177.7 | -174.2 | -179.2 | 178.3 | -175 | 0 | 111.6 | L831 D890 Y891 | L831-K888 HydrophobicContact CD2-CB 4.4Å; K888-D890 VanDerWaalsContact C-N 3.29Å; K888-D890 PolarHBondContact O-N 2.96Å; K888-Y891 PolarHBondContact O-N 3.18Å |
| 889 | E | 87 | Confident | 92.1 | Very high | 122 Ų | 122 | 48.9 Ų | 48.9 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -78 | -12.3 | 178.4 | -55.3 | 65.6 | -138.2 | 0 | 0 | 112.2 | R853 Q887 | R853-E889 PolarHBondContact NH1-O 3.1Å; Q887-E889 WeakPolarHBondContact CB-OE2 3.4Å; Q887-E889 PolarHBondContact O-N 2.72Å |
| 890 | D | 89.4 | Confident | 92 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -83.4 | -12.3 | 174.2 | -65.1 | -29.9 | 0 | 0 | 0 | 112.8 | R853 R864 V886 Q887 K888 A892 Y894 L911 | R853-D890 IonicContact NH2-OD1 2.77Å; R853-D890 PolarHBondContact NH2-OD1 2.79Å; R864-D890 IonicContact CZ-OD2 3.86Å; R864-D890 VanDerWaalsContact NH2-CG 3.32Å; R864-D890 IonicContact NH2-OD1 2.66Å; R864-D890 PolarHBondContact NH2-OD1 3.07Å; R864-D890 IonicContact NH2-OD2 2.65Å; R864-D890 PolarHBondContact NH2-OD2 2.8Å; V886-D890 HydrophobicContact CG1-CB 4.24Å; Q887-D890 PolarHBondContact N-OD2 2.8Å; Q887-D890 WeakPolarHBondContact O-CB 3.15Å; Q887-D890 PolarHBondContact O-N 3.26Å; K888-D890 VanDerWaalsContact C-N 3.29Å; K888-D890 PolarHBondContact O-N 2.96Å; D890-A892 PolarHBondContact O-N 2.8Å; D890-Y894 WeakPolarHBondContact O-CE2 3.2Å; D890-Y894 PolarHBondContact O-OH 2.96Å; D890-L911 HydrophobicContact CB-CD2 4.28Å; D890-L911 WeakPolarHBondContact O-CD2 3.46Å |
| 891 | Y | 92.1 | Very high | 91.9 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | trans | -75.2 | 77.7 | 174.7 | -64.4 | -59.7 | 0 | 0 | 0 | 111 | S829 L831 V886 K888 L911 I912 H913 | S829-Y891 WeakPolarHBondContact O-CE1 3.3Å; S829-Y891 PolarHBondContact O-OH 2.73Å; L831-Y891 HydrophobicContact CD2-CE2 3.64Å; L831-Y891 HydrophobicContact CG-CE2 3.96Å; L831-Y891 PolarHBondContact N-OH 2.87Å; V886-Y891 HydrophobicContact CG1-CD1 4.44Å; V886-Y891 HydrophobicContact CG1-CE1 3.77Å; V886-Y891 HydrophobicContact CG1-CE2 4.07Å; K888-Y891 PolarHBondContact O-N 3.18Å; Y891-L911 CarbonylContact C-O 3.52Å; Y891-L911 VanDerWaalsContact CA-O 3.28Å; Y891-L911 WeakPolarHBondContact CA-O 3.41Å; Y891-L911 HydrophobicContact CD1-CG 4.14Å; Y891-L911 HydrophobicContact CE1-CG 4.48Å; Y891-I912 VanDerWaalsContact CE1-O 3.27Å; Y891-I912 WeakPolarHBondContact CE1-O 3.29Å; Y891-H913 AromaticContact CD2-CE1 3.54Å; Y891-H913 AromaticContact CD2-NE2 3.82Å; Y891-H913 AromaticContact CE1-ND1 3.94Å; Y891-H913 AromaticContact CE2-CE1 3.06Å; Y891-H913 WeakPolarHBondContact CE2-CE1 3.42Å; Y891-H913 AromaticContact CE2-ND1 3.3Å; Y891-H913 VanDerWaalsContact CE2-ND1 3.3Å; Y891-H913 WeakPolarHBondContact CE2-ND1 3.34Å; Y891-H913 AromaticContact CE2-NE2 3.81Å; Y891-H913 AromaticContact CZ-CE1 3.54Å; Y891-H913 AromaticContact CZ-CG 3.94Å; Y891-H913 AromaticContact CZ-ND1 3.22Å; Y891-H913 PolarHBondContact OH-ND1 3.38Å | ||
| 892 | A | 91.2 | Very high | 91.8 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -144.9 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D890 Y894 L911 | D890-A892 PolarHBondContact O-N 2.8Å; A892-Y894 WeakPolarHBondContact O-CD2 3.35Å; A892-L911 PolarHBondContact N-O 2.8Å; A892-L911 PolarHBondContact O-N 3.37Å |
| 893 | N | 94.5 | Very high | 91.8 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.6 | 173.3 | -64.4 | -3.1 | 0 | 0 | 0 | 110.3 | A854 P910 | A854-N893 HydrophobicContact CB-CB 3.58Å; A854-N893 VanDerWaalsContact CB-O 3.29Å; A854-N893 WeakPolarHBondContact CB-O 3.18Å; A854-N893 PolarHBondContact N-O 3.23Å; N893-P910 WeakPolarHBondContact OD1-CA 3.36Å; N893-P910 WeakPolarHBondContact OD1-CB 3.09Å |
| 894 | Y | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.4 | 175.7 | -66.9 | -100 | 0 | 0 | 0 | 110.1 | L837 Q852 R853 L859 F865 L881 D890 A892 D908 I909 L911 | L837-Y894 HydrophobicContact CD2-CD2 3.54Å; L837-Y894 HydrophobicContact CD2-CE2 4.42Å; L837-Y894 HydrophobicContact CD2-CG 3.7Å; Q852-Y894 CarbonylContact O-C 3.55Å; Q852-Y894 WeakPolarHBondContact O-CA 3.32Å; R853-Y894 HydrophobicContact CG-CD1 4.43Å; R853-Y894 HydrophobicContact CG-CE1 4.24Å; R853-Y894 PolarHBondContact NH2-OH 3.34Å; L859-Y894 HydrophobicContact CD1-CD1 4.14Å; L859-Y894 HydrophobicContact CD1-CE1 4.4Å; L859-Y894 HydrophobicContact CD2-CD1 3.98Å; L859-Y894 HydrophobicContact CD2-CE1 3.62Å; F865-Y894 HydrophobicContact CD1-CE1 4.37Å; F865-Y894 AromaticContact CE1-CE1 3.7Å; F865-Y894 HydrophobicContact CE1-CE1 3.7Å; F865-Y894 HydrophobicContact CZ-CE1 4.35Å; L881-Y894 HydrophobicContact CD2-CD1 3.46Å; L881-Y894 VanDerWaalsContact CD2-CD1 3.46Å; L881-Y894 HydrophobicContact CD2-CE1 4.02Å; L881-Y894 HydrophobicContact CD2-CG 4Å; D890-Y894 WeakPolarHBondContact O-CE2 3.2Å; D890-Y894 PolarHBondContact O-OH 2.96Å; A892-Y894 WeakPolarHBondContact O-CD2 3.35Å; Y894-D908 WeakPolarHBondContact O-CA 3.48Å; Y894-I909 PolarHBondContact N-O 2.87Å; Y894-I909 PolarHBondContact O-N 3.43Å; Y894-L911 HydrophobicContact CD2-CB 4.16Å; Y894-L911 HydrophobicContact CE2-CB 3.87Å; Y894-L911 HydrophobicContact CE2-CD2 4.13Å |
| 895 | R | 94.7 | Very high | 92.4 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 21% | 0.211 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 115.5 | -179.5 | -176.4 | 169.5 | -66.2 | 135.7 | 9.1 | 109.9 | W851 Q852 A854 I897 R906 F907 D908 | W851-R895 WeakPolarHBondContact CA-O 3.49Å; Q852-R895 HydrophobicContact CG-CB 3.93Å; Q852-R895 HydrophobicContact CG-CG 4.46Å; Q852-R895 PolarHBondContact N-O 3.38Å; Q852-R895 VanDerWaalsContact N-O 3.1Å; Q852-R895 PolarHBondContact O-N 3.02Å; A854-R895 VanDerWaalsContact O-CZ 3.28Å; A854-R895 PolarHBondContact O-NH1 3.06Å; A854-R895 PolarHBondContact O-NH2 2.93Å; R895-I897 HydrophobicContact CG-CG1 4Å; R895-R906 HydrophobicContact CG-CB 4.25Å; R895-F907 CarbonylContact C-O 3.47Å; R895-F907 WeakPolarHBondContact CA-O 2.99Å; R895-D908 WeakPolarHBondContact CB-OD1 3.37Å; R895-D908 WeakPolarHBondContact CG-OD1 3.45Å; R895-D908 IonicContact CZ-OD1 2.7Å; R895-D908 IonicContact CZ-OD2 3.26Å; R895-D908 IonicContact NE-OD1 2.9Å; R895-D908 PolarHBondContact NE-OD1 2.99Å; R895-D908 IonicContact NE-OD2 3.46Å; R895-D908 IonicContact NH2-OD1 3.59Å; R895-D908 PolarHBondContact NH2-OD1 3.23Å; R895-D908 IonicContact NH2-OD2 3.89Å; R895-D908 PolarHBondContact NH2-OD2 2.98Å |
| 896 | C | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 141.2 | 160.3 | 53.7 | 0 | 0 | 0 | 0 | 109.7 | C839 W849 W851 R906 F907 | C839-C896 HydrophobicContact CB-CB 3.51Å; C839-C896 WeakPolarHBondContact CB-SG 3.5Å; C839-C896 WeakPolarHBondContact SG-CB 3.47Å; C839-C896 CovalentContact SG-SG 2.05Å; C839-C896 PolarHBondContact SG-SG 3.27Å; W849-C896 HydrophobicContact CZ3-CB 4.46Å; W851-C896 HydrophobicContact CD2-CB 3.9Å; W851-C896 HydrophobicContact CE3-CB 3.87Å; W851-C896 HydrophobicContact CH2-CB 3.82Å; W851-C896 HydrophobicContact CZ2-CB 3.81Å; W851-C896 HydrophobicContact CZ3-CB 3.83Å; C896-R906 VanDerWaalsContact O-CA 3.31Å; C896-R906 WeakPolarHBondContact O-CA 3.07Å; C896-F907 PolarHBondContact N-O 3.47Å; C896-F907 PolarHBondContact O-N 3.29Å; C896-F907 PolarHBondContact SG-O 2.85Å; C896-F907 VanDerWaalsContact SG-O 3.38Å |
| 897 | I | 94.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.7 | 179 | -56.6 | 173.8 | 0 | 0 | 0 | 106.6 | W849 Q850 Q852 R895 T904 D905 R906 | W849-I897 WeakPolarHBondContact CA-O 3.34Å; Q850-I897 HydrophobicContact CB-CB 4.22Å; Q850-I897 PolarHBondContact N-O 2.71Å; Q850-I897 PolarHBondContact O-N 3.35Å; Q852-I897 HydrophobicContact CG-CD1 4.23Å; R895-I897 HydrophobicContact CG-CG1 4Å; I897-T904 HydrophobicContact CG2-CG2 3.53Å; I897-D905 WeakPolarHBondContact CA-O 3.29Å; I897-R906 HydrophobicContact CG1-CG 4.11Å; I897-R906 HydrophobicContact CG2-CG 4.27Å |
| 898 | A | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P816 I818 A841 I847 W849 T904 D905 | P816-A898 HydrophobicContact CB-CB 3.78Å; I818-A898 HydrophobicContact CD1-CB 4.11Å; I818-A898 HydrophobicContact CG1-CB 3.99Å; A841-A898 HydrophobicContact CB-CB 3.86Å; I847-A898 HydrophobicContact CG2-CB 3.82Å; W849-A898 HydrophobicContact CD2-CB 4.47Å; W849-A898 HydrophobicContact CE3-CB 4Å; W849-A898 HydrophobicContact CH2-CB 3.99Å; W849-A898 HydrophobicContact CZ2-CB 4.43Å; W849-A898 HydrophobicContact CZ3-CB 3.73Å; A898-T904 VanDerWaalsContact O-CA 3.22Å; A898-T904 WeakPolarHBondContact O-CA 3.38Å; A898-T904 WeakPolarHBondContact O-CG2 3.29Å; A898-D905 PolarHBondContact N-O 2.79Å; A898-D905 PolarHBondContact O-N 2.95Å |
| 899 | R | 95.7 | Very high | 93.2 | Very high | 144 Ų | 144 | 50.9 Ų | 50.9 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 133.6 | -175.1 | 178.1 | 168.6 | -177.3 | 93.1 | -0.2 | 112.5 | T848 G903 T904 | T848-R899 PolarHBondContact N-O 2.68Å; T848-R899 PolarHBondContact O-N 3.39Å; T848-R899 PolarHBondContact OG1-O 2.83Å; R899-G903 WeakPolarHBondContact CA-O 3.44Å; R899-T904 HydrophobicContact CB-CG2 4.21Å; R899-T904 WeakPolarHBondContact CD-OG1 3.45Å; R899-T904 VanDerWaalsContact CG-OG1 3.31Å; R899-T904 WeakPolarHBondContact CG-OG1 3.21Å; R899-T904 PolarHBondContact NH1-OG1 3.35Å |
| 900 | N | 93.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | -169 | 159.7 | 72.8 | 9.4 | 0 | 0 | 0 | 108.8 | H814 P816 A844 P845 E846 L902 G903 | H814-N900 PolarHBondContact O-ND2 2.88Å; P816-N900 WeakPolarHBondContact CD-OD1 3.33Å; P816-N900 HydrophobicContact CG-CB 4.22Å; A844-N900 PolarHBondContact O-ND2 2.91Å; P845-N900 PolarHBondContact O-ND2 3.05Å; P845-N900 VanDerWaalsContact O-ND2 3.08Å; E846-N900 WeakPolarHBondContact O-CB 3Å; N900-L902 PolarHBondContact O-N 3.29Å; N900-L902 PolarHBondContact OD1-N 2.81Å; N900-G903 PolarHBondContact N-O 3.45Å; N900-G903 PolarHBondContact OD1-N 2.97Å |
| 901 | E | 90.6 | Very high | 93.7 | Very high | 151 Ų | 151 | 46.6 Ų | 46.6 | 71% | 0.706 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25 | -179.3 | 66.8 | -170.9 | -177.1 | 0 | 0 | 114.3 | P845 | P845-E901 WeakPolarHBondContact CD-OE1 3.32Å; P845-E901 HydrophobicContact CG-CG 3.99Å; P845-E901 VanDerWaalsContact CG-OE1 3.28Å; P845-E901 WeakPolarHBondContact CG-OE1 3.45Å |
| 902 | L | 91.8 | Very high | 93.7 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 48% | 0.482 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -15.7 | -175.1 | -59.3 | 177.1 | 0 | 0 | 0 | 113.6 | A815 N900 | A815-L902 HydrophobicContact CB-CB 4.03Å; N900-L902 PolarHBondContact O-N 3.29Å; N900-L902 PolarHBondContact OD1-N 2.81Å |
| 903 | G | 93.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -168.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R899 N900 | R899-G903 WeakPolarHBondContact CA-O 3.44Å; N900-G903 PolarHBondContact N-O 3.45Å; N900-G903 PolarHBondContact OD1-N 2.97Å |
| 904 | T | 94.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 49 Ų | 49 | 31% | 0.307 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 130.1 | -178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | I897 A898 R899 | I897-T904 HydrophobicContact CG2-CG2 3.53Å; A898-T904 VanDerWaalsContact O-CA 3.22Å; A898-T904 WeakPolarHBondContact O-CA 3.38Å; A898-T904 WeakPolarHBondContact O-CG2 3.29Å; R899-T904 HydrophobicContact CB-CG2 4.21Å; R899-T904 WeakPolarHBondContact CD-OG1 3.45Å; R899-T904 VanDerWaalsContact CG-OG1 3.31Å; R899-T904 WeakPolarHBondContact CG-OG1 3.21Å; R899-T904 PolarHBondContact NH1-OG1 3.35Å |
| 905 | D | 94.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 157.9 | 171.2 | -173.3 | 23.5 | 0 | 0 | 0 | 110.7 | P816 I818 I897 A898 | P816-D905 WeakPolarHBondContact O-CB 3.48Å; I818-D905 VanDerWaalsContact CB-OD2 3.32Å; I818-D905 WeakPolarHBondContact CB-OD2 3.34Å; I818-D905 HydrophobicContact CD1-CB 4.22Å; I818-D905 HydrophobicContact CG1-CB 4.19Å; I818-D905 PolarHBondContact N-OD2 2.82Å; I897-D905 WeakPolarHBondContact CA-O 3.29Å; A898-D905 PolarHBondContact N-O 2.79Å; A898-D905 PolarHBondContact O-N 2.95Å |
| 906 | R | 94.4 | Very high | 93.2 | Very high | 134 Ų | 134 | 50.6 Ų | 50.6 | 51% | 0.506 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.7 | -173.7 | -50.3 | -172.5 | -173.1 | -136.2 | 3 | 111.2 | R895 C896 I897 | R895-R906 HydrophobicContact CG-CB 4.25Å; C896-R906 VanDerWaalsContact O-CA 3.31Å; C896-R906 WeakPolarHBondContact O-CA 3.07Å; I897-R906 HydrophobicContact CG1-CG 4.11Å; I897-R906 HydrophobicContact CG2-CG 4.27Å |
| 907 | F | 92.9 | Very high | 93 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 17% | 0.167 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135.4 | 176.8 | -176.5 | -124.8 | 0 | 0 | 0 | 112.3 | I818 K820 R895 C896 I909 | I818-F907 HydrophobicContact CB-CB 4.39Å; I818-F907 HydrophobicContact CD1-CB 4.06Å; I818-F907 HydrophobicContact CG2-CB 3.77Å; I818-F907 HydrophobicContact CG2-CD1 4.2Å; I818-F907 HydrophobicContact CG2-CG 4.25Å; K820-F907 HydrophobicContact CB-CE2 4.1Å; K820-F907 HydrophobicContact CB-CZ 4.09Å; K820-F907 HydrophobicContact CD-CD2 3.78Å; K820-F907 HydrophobicContact CD-CE2 3.92Å; K820-F907 HydrophobicContact CD-CG 4.5Å; K820-F907 HydrophobicContact CG-CD1 4.37Å; K820-F907 HydrophobicContact CG-CD2 3.69Å; K820-F907 HydrophobicContact CG-CE1 4.39Å; K820-F907 HydrophobicContact CG-CE2 3.72Å; K820-F907 HydrophobicContact CG-CG 4.03Å; K820-F907 HydrophobicContact CG-CZ 4.09Å; R895-F907 CarbonylContact C-O 3.47Å; R895-F907 WeakPolarHBondContact CA-O 2.99Å; C896-F907 PolarHBondContact N-O 3.47Å; C896-F907 PolarHBondContact O-N 3.29Å; C896-F907 PolarHBondContact SG-O 2.85Å; C896-F907 VanDerWaalsContact SG-O 3.38Å; F907-I909 HydrophobicContact CD1-CD1 4.14Å; F907-I909 HydrophobicContact CD1-CG1 3.69Å; F907-I909 HydrophobicContact CE1-CD1 4.38Å; F907-I909 HydrophobicContact CE1-CG1 3.71Å |
| 908 | D | 93.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.7 | -176.4 | -69.1 | 4.5 | 0 | 0 | 0 | 110 | A854 Y894 R895 | A854-D908 WeakPolarHBondContact CB-OD2 2.91Å; Y894-D908 WeakPolarHBondContact O-CA 3.48Å; R895-D908 WeakPolarHBondContact CB-OD1 3.37Å; R895-D908 WeakPolarHBondContact CG-OD1 3.45Å; R895-D908 IonicContact CZ-OD1 2.7Å; R895-D908 IonicContact CZ-OD2 3.26Å; R895-D908 IonicContact NE-OD1 2.9Å; R895-D908 PolarHBondContact NE-OD1 2.99Å; R895-D908 IonicContact NE-OD2 3.46Å; R895-D908 IonicContact NH2-OD1 3.59Å; R895-D908 PolarHBondContact NH2-OD1 3.23Å; R895-D908 IonicContact NH2-OD2 3.89Å; R895-D908 PolarHBondContact NH2-OD2 2.98Å |
| 909 | I | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.8 | -178.4 | -61.3 | 168.4 | 0 | 0 | 0 | 108.5 | L837 R838 C839 W851 Y894 F907 | L837-I909 HydrophobicContact CB-CG2 4.48Å; L837-I909 HydrophobicContact CD2-CB 4.32Å; L837-I909 HydrophobicContact CD2-CG2 4.12Å; L837-I909 HydrophobicContact CG-CG2 4.47Å; R838-I909 WeakPolarHBondContact O-CD1 3.36Å; C839-I909 HydrophobicContact CB-CD1 4.11Å; W851-I909 HydrophobicContact CH2-CD1 3.85Å; W851-I909 HydrophobicContact CZ3-CD1 4.13Å; Y894-I909 PolarHBondContact N-O 2.87Å; Y894-I909 PolarHBondContact O-N 3.43Å; F907-I909 HydrophobicContact CD1-CD1 4.14Å; F907-I909 HydrophobicContact CD1-CG1 3.69Å; F907-I909 HydrophobicContact CE1-CD1 4.38Å; F907-I909 HydrophobicContact CE1-CG1 3.71Å |
| 910 | P | 94.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.1 | 174.4 | 29.7 | -34.4 | 0 | 0 | 0 | 111.1 | S825 K826 S827 N893 I912 | S825-P910 VanDerWaalsContact O-CD 3.31Å; S825-P910 WeakPolarHBondContact O-CD 3.03Å; K826-P910 HydrophobicContact CB-CG 4.16Å; K826-P910 HydrophobicContact CG-CG 3.94Å; S827-P910 PolarHBondContact N-O 3.34Å; N893-P910 WeakPolarHBondContact OD1-CA 3.36Å; N893-P910 WeakPolarHBondContact OD1-CB 3.09Å; P910-I912 HydrophobicContact CB-CG2 4.2Å |
| 911 | L | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.1 | 160.2 | 179.6 | 54.4 | 0 | 0 | 0 | 108.7 | S827 A835 L837 V883 V886 D890 Y891 A892 Y894 | S827-L911 CarbonylContact O-C 3.23Å; S827-L911 WeakPolarHBondContact O-CA 3.49Å; A835-L911 HydrophobicContact CB-CD1 3.64Å; A835-L911 HydrophobicContact CB-CD2 3.81Å; A835-L911 HydrophobicContact CB-CG 4.42Å; L837-L911 HydrophobicContact CD1-CD2 4.45Å; V883-L911 HydrophobicContact CG2-CD2 4.24Å; V886-L911 HydrophobicContact CG2-CD2 4.27Å; D890-L911 HydrophobicContact CB-CD2 4.28Å; D890-L911 WeakPolarHBondContact O-CD2 3.46Å; Y891-L911 CarbonylContact C-O 3.52Å; Y891-L911 VanDerWaalsContact CA-O 3.28Å; Y891-L911 WeakPolarHBondContact CA-O 3.41Å; Y891-L911 HydrophobicContact CD1-CG 4.14Å; Y891-L911 HydrophobicContact CE1-CG 4.48Å; A892-L911 PolarHBondContact N-O 2.8Å; A892-L911 PolarHBondContact O-N 3.37Å; Y894-L911 HydrophobicContact CD2-CB 4.16Å; Y894-L911 HydrophobicContact CE2-CB 3.87Å; Y894-L911 HydrophobicContact CE2-CD2 4.13Å |
| 912 | I | 93 | Very high | 91.8 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 169.8 | -178.1 | 61.2 | 171.6 | 0 | 0 | 0 | 111.9 | S827 A828 S829 Y891 P910 F941 | S827-I912 WeakPolarHBondContact O-CG1 3.38Å; S827-I912 PolarHBondContact O-N 3.41Å; A828-I912 WeakPolarHBondContact CA-O 2.94Å; A828-I912 HydrophobicContact CB-CG1 3.96Å; S829-I912 PolarHBondContact N-O 2.79Å; S829-I912 VanDerWaalsContact N-O 3.15Å; Y891-I912 VanDerWaalsContact CE1-O 3.27Å; Y891-I912 WeakPolarHBondContact CE1-O 3.29Å; P910-I912 HydrophobicContact CB-CG2 4.2Å; I912-F941 HydrophobicContact CD1-CE1 4.16Å |
| 913 | H | 90.6 | Very high | 91.8 | Very high | 110 Ų | 110 | 44.6 Ų | 44.6 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | trans | -61.4 | 156.6 | 168.2 | -63.4 | -74.1 | 0 | 0 | 0 | 111.4 | A828 Y891 S915 | A828-H913 WeakPolarHBondContact CB-O 3.43Å; Y891-H913 AromaticContact CD2-CE1 3.54Å; Y891-H913 AromaticContact CD2-NE2 3.82Å; Y891-H913 AromaticContact CE1-ND1 3.94Å; Y891-H913 AromaticContact CE2-CE1 3.06Å; Y891-H913 WeakPolarHBondContact CE2-CE1 3.42Å; Y891-H913 AromaticContact CE2-ND1 3.3Å; Y891-H913 VanDerWaalsContact CE2-ND1 3.3Å; Y891-H913 WeakPolarHBondContact CE2-ND1 3.34Å; Y891-H913 AromaticContact CE2-NE2 3.81Å; Y891-H913 AromaticContact CZ-CE1 3.54Å; Y891-H913 AromaticContact CZ-CG 3.94Å; Y891-H913 AromaticContact CZ-ND1 3.22Å; Y891-H913 PolarHBondContact OH-ND1 3.38Å; H913-S915 PolarHBondContact O-N 2.89Å | ||
| 914 | L | 91 | Very high | 91.7 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 18% | 0.183 | 25% | 0.248 | C | C | . | . | trans | -52.7 | 135.6 | 173.1 | -61.6 | -176.9 | 0 | 0 | 0 | 111.6 | A828 E830 L945 L994 | A828-L914 HydrophobicContact CB-CD2 4.2Å; E830-L914 HydrophobicContact CB-CD1 3.78Å; E830-L914 HydrophobicContact CB-CG 4.09Å; E830-L914 HydrophobicContact CG-CD1 4.02Å; E830-L914 WeakPolarHBondContact OE2-CD1 3.34Å; L914-L945 HydrophobicContact CB-CD1 4.41Å; L914-L945 HydrophobicContact CD1-CD1 4.17Å; L914-L945 HydrophobicContact CD1-CD2 4.03Å; L914-L945 HydrophobicContact CD1-CG 4.16Å; L914-L945 HydrophobicContact CD2-CG 4.17Å; L914-L994 HydrophobicContact CB-CD1 3.85Å | ||
| 915 | S | 89.8 | Confident | 91.5 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | trans | -131.2 | 168.8 | -178.5 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | H913 G943 N992 | H913-S915 PolarHBondContact O-N 2.89Å; S915-G943 PolarHBondContact N-O 3.21Å; S915-G943 WeakPolarHBondContact O-CA 3.38Å; S915-G943 WeakPolarHBondContact OG-CA 3.41Å; S915-N992 PolarHBondContact O-ND2 2.94Å | ||
| 916 | I | 91.7 | Very high | 91.1 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 29% | 0.292 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 153.1 | 159.1 | 53.6 | -176.4 | 0 | 0 | 0 | 110.2 | L994 K997 | I916-L994 HydrophobicContact CG2-CB 3.86Å; I916-L994 VanDerWaalsContact CG2-O 3.32Å; I916-L994 WeakPolarHBondContact CG2-O 3.5Å; I916-K997 HydrophobicContact CD1-CB 4.44Å; I916-K997 HydrophobicContact CD1-CD 4.44Å; I916-K997 HydrophobicContact CD1-CG 3.4Å; I916-K997 HydrophobicContact CG1-CD 4.5Å; I916-K997 HydrophobicContact CG1-CG 3.79Å |
| 917 | P | 91 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 157.1 | -178.2 | -19.2 | 33.6 | 0 | 0 | 0 | 112.3 | Q947 N992 K997 | P917-Q947 HydrophobicContact CG-CB 4.12Å; P917-N992 WeakPolarHBondContact CD-ND2 3.5Å; P917-N992 HydrophobicContact CG-CB 3.86Å; P917-K997 WeakPolarHBondContact O-CD 3.3Å |
| 918 | D | 90.2 | Very high | 90.6 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 143.1 | 163.2 | -75.5 | -28.8 | 0 | 0 | 0 | 109.5 | K826 N940 F941 S990 K997 | K826-D918 IonicContact NZ-OD1 3.64Å; K826-D918 IonicContact NZ-OD2 2.63Å; K826-D918 PolarHBondContact NZ-OD2 3.09Å; D918-N940 HydrophobicContact CB-CB 4.02Å; D918-F941 HydrophobicContact CB-CB 4.37Å; D918-F941 PolarHBondContact N-O 3.03Å; D918-S990 PolarHBondContact O-OG 2.92Å; D918-K997 IonicContact OD1-NZ 2.74Å; D918-K997 PolarHBondContact OD1-NZ 2.89Å |
| 919 | P | 89.4 | Confident | 90.4 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.1 | -175.8 | -21.3 | 34.7 | 0 | 0 | 0 | 111.7 | N940 S990 K997 | P919-N940 PolarHBondContact O-ND2 3.5Å; P919-S990 WeakPolarHBondContact CA-OG 3.27Å; P919-K997 HydrophobicContact CG-CB 4.26Å; P919-K997 HydrophobicContact CG-CD 4.36Å |
| 920 | P | 90.7 | Very high | 90.2 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 150.5 | 178.3 | -19.2 | 33.3 | 0 | 0 | 0 | 113 | W937 Y949 V988 S990 | P920-W937 HydrophobicContact CB-CB 4.35Å; P920-W937 HydrophobicContact CB-CG 4.26Å; P920-Y949 HydrophobicContact CG-CD1 3.91Å; P920-Y949 HydrophobicContact CG-CE1 4.07Å; P920-V988 HydrophobicContact CG-CB 4.47Å; P920-V988 HydrophobicContact CG-CG1 4.13Å; P920-S990 WeakPolarHBondContact CD-OG 3.26Å |
| 921 | S | 87.7 | Confident | 90 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 171.9 | 171.8 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | L923 W937 R938 N940 | S921-L923 VanDerWaalsContact C-N 3.31Å; S921-L923 PolarHBondContact O-N 3.48Å; S921-W937 WeakPolarHBondContact O-CB 3.47Å; S921-R938 PolarHBondContact N-O 2.81Å; S921-R938 VanDerWaalsContact N-O 3.08Å; S921-R938 PolarHBondContact O-N 2.77Å; S921-N940 PolarHBondContact OG-ND2 2.58Å; S921-N940 PolarHBondContact OG-OD1 3.49Å |
| 922 | D | 86.8 | Confident | 90 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.3 | 40 | 163 | -46.3 | -25.4 | 0 | 0 | 0 | 114.7 | T924 R938 | D922-T924 PolarHBondContact O-N 2.96Å; D922-T924 PolarHBondContact O-OG1 2.91Å; D922-R938 HydrophobicContact CB-CB 4Å; D922-R938 WeakPolarHBondContact OD2-CD 3.39Å; D922-R938 IonicContact OD2-NH1 2.75Å |
| 923 | L | 91.7 | Very high | 90 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 118.5 | 175.2 | 179.8 | 61.1 | 0 | 0 | 0 | 110.1 | S921 R936 W937 V988 I1004 | S921-L923 VanDerWaalsContact C-N 3.31Å; S921-L923 PolarHBondContact O-N 3.48Å; L923-R936 CarbonylContact C-O 3.57Å; L923-R936 WeakPolarHBondContact CA-O 3.47Å; L923-W937 HydrophobicContact CD1-CB 4.22Å; L923-W937 HydrophobicContact CD1-CE3 3.93Å; L923-V988 HydrophobicContact CD1-CG2 3.6Å; L923-V988 HydrophobicContact CD2-CG2 3.91Å; L923-V988 HydrophobicContact CG-CG2 4.39Å; L923-I1004 HydrophobicContact CD2-CG2 3.82Å; L923-I1004 HydrophobicContact CG-CG2 3.8Å |
| 924 | T | 91.3 | Very high | 90.1 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 148.8 | -173.7 | 46.3 | 0 | 0 | 0 | 0 | 111 | D922 L935 R936 | D922-T924 PolarHBondContact O-N 2.96Å; D922-T924 PolarHBondContact O-OG1 2.91Å; T924-L935 CarbonylContact O-C 3.59Å; T924-L935 WeakPolarHBondContact O-CA 3.44Å; T924-R936 PolarHBondContact N-O 2.83Å; T924-R936 PolarHBondContact O-N 2.83Å; T924-R936 PolarHBondContact OG1-O 2.82Å |
| 925 | V | 91.3 | Very high | 90.2 | Very high | 43 Ų | 43 | 42 Ų | 42 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.2 | 171.3 | 174.3 | 0 | 0 | 0 | 0 | 107.8 | V928 V933 A934 L935 I1004 A1006 | V925-V928 HydrophobicContact CG1-CG2 3.38Å; V925-V933 HydrophobicContact CG1-CG1 3.95Å; V925-V933 HydrophobicContact CG2-CG1 4.27Å; V925-A934 CarbonylContact C-O 3.45Å; V925-A934 WeakPolarHBondContact CA-O 3.46Å; V925-L935 HydrophobicContact CB-CD2 4.43Å; V925-L935 HydrophobicContact CG2-CD2 3.61Å; V925-I1004 HydrophobicContact CG2-CD1 3.96Å; V925-I1004 HydrophobicContact CG2-CG1 4.16Å; V925-I1004 HydrophobicContact CG2-CG2 4.14Å; V925-A1006 HydrophobicContact CG1-CB 4.19Å; V925-A1006 HydrophobicContact CG2-CB 3.87Å |
| 926 | T | 86.2 | Confident | 90.4 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -25.8 | -174.2 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | A934 R936 | T926-A934 PolarHBondContact N-O 2.85Å; T926-A934 VanDerWaalsContact OG1-CB 3.28Å; T926-A934 WeakPolarHBondContact OG1-CB 3.44Å; T926-A934 PolarHBondContact OG1-O 3.07Å; T926-R936 HydrophobicContact CG2-CB 3.59Å |
| 927 | N | 87.6 | Confident | 90.4 | Very high | 110 Ų | 110 | 45 Ų | 45 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 148.8 | 174.7 | -164.5 | -0.7 | 0 | 0 | 0 | 109.7 | A934 | N927-A934 HydrophobicContact CB-CB 3.94Å; N927-A934 PolarHBondContact O-N 2.82Å |
| 928 | V | 88.7 | Confident | 90.4 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 128.8 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | V925 V933 A1006 K1007 T1009 | V925-V928 HydrophobicContact CG1-CG2 3.38Å; V928-V933 HydrophobicContact CG1-CG2 4.1Å; V928-V933 HydrophobicContact CG2-CG2 4.38Å; V928-A1006 HydrophobicContact CG2-CB 4.29Å; V928-K1007 VanDerWaalsContact CG1-O 3.31Å; V928-K1007 WeakPolarHBondContact CG1-O 3.24Å; V928-T1009 HydrophobicContact CG1-CG2 4.41Å |
| 929 | S | 90.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | trans | -118.7 | -176.9 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | D931 S932 T1008 T1009 | S929-D931 PolarHBondContact O-N 3.46Å; S929-S932 WeakPolarHBondContact CB-OG 3.38Å; S929-S932 PolarHBondContact N-O 2.84Å; S929-T1008 WeakPolarHBondContact O-CA 3.32Å; S929-T1008 WeakPolarHBondContact O-CB 3.45Å; S929-T1009 PolarHBondContact O-N 2.84Å | ||
| 930 | Q | 87.8 | Confident | 90.4 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -66.8 | -25.4 | 178.2 | 66.8 | -69.9 | -29.3 | 0 | 0 | 112.9 | P980 T1009 | Q930-P980 WeakPolarHBondContact O-CA 3.26Å; Q930-P980 WeakPolarHBondContact O-CG 3.46Å; Q930-T1009 WeakPolarHBondContact CA-OG1 3.14Å; Q930-T1009 PolarHBondContact N-OG1 2.78Å |
| 931 | D | 89.7 | Confident | 90.4 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -126.1 | 1 | -172.9 | 75.3 | -20.8 | 0 | 0 | 0 | 114.3 | S929 R976 G977 L978 | S929-D931 PolarHBondContact O-N 3.46Å; D931-R976 CarbonylContact O-C 3.57Å; D931-G977 PolarHBondContact O-N 2.83Å; D931-L978 WeakPolarHBondContact CA-O 3.2Å; D931-L978 PolarHBondContact O-N 2.73Å |
| 932 | S | 92.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 148.8 | -166.3 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | S929 V975 | S929-S932 WeakPolarHBondContact CB-OG 3.38Å; S929-S932 PolarHBondContact N-O 2.84Å; S932-V975 CarbonylContact C-O 3.56Å; S932-V975 WeakPolarHBondContact CA-O 3.38Å; S932-V975 WeakPolarHBondContact CB-O 3.15Å |
| 933 | V | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.1 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 108.2 | V925 V928 L935 V975 L978 F986 A1006 T1008 | V925-V933 HydrophobicContact CG1-CG1 3.95Å; V925-V933 HydrophobicContact CG2-CG1 4.27Å; V928-V933 HydrophobicContact CG1-CG2 4.1Å; V928-V933 HydrophobicContact CG2-CG2 4.38Å; V933-L935 HydrophobicContact CG1-CD2 3.83Å; V933-L935 HydrophobicContact CG1-CG 4.16Å; V933-V975 PolarHBondContact N-O 3.32Å; V933-V975 PolarHBondContact O-N 3.2Å; V933-L978 HydrophobicContact CB-CD1 3.88Å; V933-L978 HydrophobicContact CG2-CD1 3.58Å; V933-F986 HydrophobicContact CB-CE2 4.28Å; V933-F986 HydrophobicContact CB-CZ 3.91Å; V933-F986 HydrophobicContact CG1-CE2 3.96Å; V933-F986 HydrophobicContact CG1-CZ 4.01Å; V933-F986 HydrophobicContact CG2-CE2 4.23Å; V933-F986 HydrophobicContact CG2-CZ 4.03Å; V933-A1006 HydrophobicContact CG1-CB 4.02Å; V933-A1006 HydrophobicContact CG2-CB 4.06Å; V933-T1008 HydrophobicContact CG2-CG2 4.29Å |
| 934 | A | 94 | Very high | 90.3 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V925 T926 N927 I973 V974 | V925-A934 CarbonylContact C-O 3.45Å; V925-A934 WeakPolarHBondContact CA-O 3.46Å; T926-A934 PolarHBondContact N-O 2.85Å; T926-A934 VanDerWaalsContact OG1-CB 3.28Å; T926-A934 WeakPolarHBondContact OG1-CB 3.44Å; T926-A934 PolarHBondContact OG1-O 3.07Å; N927-A934 HydrophobicContact CB-CB 3.94Å; N927-A934 PolarHBondContact O-N 2.82Å; A934-I973 WeakPolarHBondContact CA-O 3.47Å; A934-V974 HydrophobicContact CB-CG2 3.96Å |
| 935 | L | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.8 | -179.3 | -61 | 172.4 | 0 | 0 | 0 | 110.2 | T924 V925 V933 W937 V951 H972 I973 V975 F986 I1004 | T924-L935 CarbonylContact O-C 3.59Å; T924-L935 WeakPolarHBondContact O-CA 3.44Å; V925-L935 HydrophobicContact CB-CD2 4.43Å; V925-L935 HydrophobicContact CG2-CD2 3.61Å; V933-L935 HydrophobicContact CG1-CD2 3.83Å; V933-L935 HydrophobicContact CG1-CG 4.16Å; L935-W937 HydrophobicContact CB-CE3 4.44Å; L935-W937 HydrophobicContact CB-CZ3 4.1Å; L935-V951 HydrophobicContact CD1-CG1 3.8Å; L935-H972 CarbonylContact O-C 3.54Å; L935-H972 WeakPolarHBondContact O-CA 3.36Å; L935-H972 WeakPolarHBondContact O-CB 3.16Å; L935-I973 HydrophobicContact CB-CG2 4.23Å; L935-I973 HydrophobicContact CD1-CG2 4.34Å; L935-I973 PolarHBondContact N-O 2.92Å; L935-I973 PolarHBondContact O-N 2.87Å; L935-V975 HydrophobicContact CD1-CG2 4.18Å; L935-F986 HydrophobicContact CD1-CB 3.9Å; L935-F986 HydrophobicContact CD1-CD1 3.62Å; L935-F986 HydrophobicContact CD1-CE1 4.33Å; L935-F986 HydrophobicContact CD1-CG 3.83Å; L935-F986 HydrophobicContact CD2-CB 4.38Å; L935-F986 HydrophobicContact CD2-CD2 4.4Å; L935-F986 HydrophobicContact CD2-CG 4.26Å; L935-I1004 HydrophobicContact CD2-CG2 4.33Å |
| 936 | R | 93.8 | Very high | 90.1 | Very high | 144 Ų | 144 | 44 Ų | 44 | 54% | 0.543 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.1 | 172.9 | 178.6 | -179.7 | 170.1 | 115.5 | -1 | 109.6 | L923 T924 T926 T971 H972 | L923-R936 CarbonylContact C-O 3.57Å; L923-R936 WeakPolarHBondContact CA-O 3.47Å; T924-R936 PolarHBondContact N-O 2.83Å; T924-R936 PolarHBondContact O-N 2.83Å; T924-R936 PolarHBondContact OG1-O 2.82Å; T926-R936 HydrophobicContact CG2-CB 3.59Å; R936-T971 WeakPolarHBondContact CA-O 3.38Å; R936-H972 HydrophobicContact CB-CB 4.43Å |
| 937 | W | 92.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 173.1 | 173 | 52.6 | 94.6 | 0 | 0 | 0 | 110.7 | P920 S921 L923 L935 Y949 V951 V968 V970 T971 I973 V988 | P920-W937 HydrophobicContact CB-CB 4.35Å; P920-W937 HydrophobicContact CB-CG 4.26Å; S921-W937 WeakPolarHBondContact O-CB 3.47Å; L923-W937 HydrophobicContact CD1-CB 4.22Å; L923-W937 HydrophobicContact CD1-CE3 3.93Å; L935-W937 HydrophobicContact CB-CE3 4.44Å; L935-W937 HydrophobicContact CB-CZ3 4.1Å; W937-Y949 AromaticContact CE2-CD2 3.97Å; W937-Y949 AromaticContact CE2-CG 3.75Å; W937-Y949 AromaticContact CZ2-CD2 3.9Å; W937-Y949 HydrophobicContact CZ2-CD2 3.9Å; W937-Y949 AromaticContact CZ2-CG 3.77Å; W937-Y949 HydrophobicContact CZ2-CG 3.77Å; W937-Y949 AromaticContact NE1-CD1 3.31Å; W937-Y949 VanDerWaalsContact NE1-CD1 3.31Å; W937-Y949 AromaticContact NE1-CD2 3.41Å; W937-Y949 AromaticContact NE1-CE1 3.63Å; W937-Y949 AromaticContact NE1-CE2 3.71Å; W937-Y949 AromaticContact NE1-CG 3.2Å; W937-Y949 AromaticContact NE1-CZ 3.83Å; W937-V951 HydrophobicContact CH2-CG2 3.96Å; W937-V951 HydrophobicContact CZ3-CG2 4.07Å; W937-V968 HydrophobicContact CH2-CG2 3.97Å; W937-V968 HydrophobicContact CZ2-CG2 3.92Å; W937-V970 VanDerWaalsContact CZ2-O 3.23Å; W937-V970 WeakPolarHBondContact CZ2-O 3.31Å; W937-T971 PolarHBondContact N-O 3.03Å; W937-T971 WeakPolarHBondContact O-CB 3.31Å; W937-I973 HydrophobicContact CH2-CB 4.14Å; W937-I973 HydrophobicContact CH2-CG2 3.96Å; W937-I973 HydrophobicContact CZ3-CB 4.48Å; W937-I973 HydrophobicContact CZ3-CG2 3.93Å; W937-V988 HydrophobicContact CD2-CG1 4.12Å; W937-V988 HydrophobicContact CD2-CG2 4.36Å; W937-V988 HydrophobicContact CE3-CG1 4.48Å; W937-V988 HydrophobicContact CE3-CG2 4.03Å; W937-V988 HydrophobicContact CZ2-CG1 4.22Å; W937-V988 HydrophobicContact CZ3-CG2 4.29Å |
| 938 | R | 89.3 | Confident | 90.6 | Very high | 88 Ų | 88 | 39.5 Ų | 39.5 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.2 | 171.5 | 179.1 | 175.9 | -176.7 | 161.3 | 6.1 | 110 | S821 T822 S921 D922 N940 | S821-R938 PolarHBondContact OG-NH2 3.14Å; T822-R938 PolarHBondContact OG1-NE 3.12Å; S921-R938 PolarHBondContact N-O 2.81Å; S921-R938 VanDerWaalsContact N-O 3.08Å; S921-R938 PolarHBondContact O-N 2.77Å; D922-R938 HydrophobicContact CB-CB 4Å; D922-R938 WeakPolarHBondContact OD2-CD 3.39Å; D922-R938 IonicContact OD2-NH1 2.75Å; R938-N940 PolarHBondContact O-N 2.97Å |
| 939 | A | 89.9 | Confident | 90.9 | Very high | 27 Ų | 27 | 38 Ų | 38 | 22% | 0.223 | 20% | 0.202 | C | C | . | . | trans | -66.8 | 128.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S823 Y949 T971 | S823-A939 WeakPolarHBondContact CB-O 3.19Å; A939-Y949 WeakPolarHBondContact CB-OH 3.37Å; A939-T971 HydrophobicContact CB-CG2 3.79Å | ||
| 940 | N | 89.7 | Confident | 90.9 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | trans | -98.8 | -176.1 | 163.6 | -73.1 | -18.1 | 0 | 0 | 0 | 109.8 | T822 D918 P919 S921 R938 D942 Q947 | T822-N940 WeakPolarHBondContact CB-OD1 3.35Å; T822-N940 PolarHBondContact OG1-OD1 2.73Å; D918-N940 HydrophobicContact CB-CB 4.02Å; P919-N940 PolarHBondContact O-ND2 3.5Å; S921-N940 PolarHBondContact OG-ND2 2.58Å; S921-N940 PolarHBondContact OG-OD1 3.49Å; R938-N940 PolarHBondContact O-N 2.97Å; N940-D942 PolarHBondContact O-N 2.81Å; N940-Q947 PolarHBondContact O-NE2 2.7Å | ||
| 941 | F | 90.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | trans | -50.4 | 128 | 179.1 | -179.1 | -118.5 | 0 | 0 | 0 | 112.6 | T822 K826 A828 I912 D918 | T822-F941 PolarHBondContact O-N 2.88Å; K826-F941 HydrophobicContact CB-CD1 4.17Å; K826-F941 HydrophobicContact CB-CD2 3.84Å; K826-F941 HydrophobicContact CB-CE1 4.07Å; K826-F941 HydrophobicContact CB-CE2 3.76Å; K826-F941 HydrophobicContact CB-CG 4.04Å; K826-F941 HydrophobicContact CB-CZ 3.85Å; K826-F941 HydrophobicContact CD-CD1 3.81Å; K826-F941 HydrophobicContact CD-CE1 4.11Å; K826-F941 HydrophobicContact CD-CG 4.15Å; K826-F941 WeakPolarHBondContact O-CE2 3.45Å; A828-F941 HydrophobicContact CB-CE1 4.45Å; A828-F941 HydrophobicContact CB-CZ 3.68Å; I912-F941 HydrophobicContact CD1-CE1 4.16Å; D918-F941 HydrophobicContact CB-CB 4.37Å; D918-F941 PolarHBondContact N-O 3.03Å | ||
| 942 | D | 89.5 | Confident | 91.2 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | trans | -85.9 | -4.7 | -171.7 | 62.7 | 4.7 | 0 | 0 | 0 | 114.6 | N940 G944 L945 Q947 N992 | N940-D942 PolarHBondContact O-N 2.81Å; D942-G944 WeakPolarHBondContact OD1-CA 3.28Å; D942-G944 PolarHBondContact OD1-N 2.92Å; D942-L945 WeakPolarHBondContact CB-O 3.5Å; D942-Q947 HydrophobicContact CB-CB 4.08Å; D942-Q947 HydrophobicContact CB-CG 3.71Å; D942-N992 PolarHBondContact O-ND2 2.85Å | ||
| 943 | G | 88.6 | Confident | 91.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | 80.4 | 12.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A828 S915 | A828-G943 WeakPolarHBondContact CB-O 3.45Å; S915-G943 PolarHBondContact N-O 3.21Å; S915-G943 WeakPolarHBondContact O-CA 3.38Å; S915-G943 WeakPolarHBondContact OG-CA 3.41Å | ||
| 944 | G | 87.2 | Confident | 91.2 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 81.6 | 16.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | D942 | D942-G944 WeakPolarHBondContact OD1-CA 3.28Å; D942-G944 PolarHBondContact OD1-N 2.92Å |
| 945 | L | 89.4 | Confident | 91 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -140.4 | 150.8 | -176 | -70.2 | 166.8 | 0 | 0 | 0 | 110.5 | L914 D942 Q947 N992 R993 L994 | L914-L945 HydrophobicContact CB-CD1 4.41Å; L914-L945 HydrophobicContact CD1-CD1 4.17Å; L914-L945 HydrophobicContact CD1-CD2 4.03Å; L914-L945 HydrophobicContact CD1-CG 4.16Å; L914-L945 HydrophobicContact CD2-CG 4.17Å; D942-L945 WeakPolarHBondContact CB-O 3.5Å; L945-Q947 PolarHBondContact O-N 2.72Å; L945-N992 HydrophobicContact CB-CB 4.05Å; L945-R993 HydrophobicContact CD1-CG 3.87Å; L945-R993 VanDerWaalsContact CD2-NE 3.29Å; L945-L994 HydrophobicContact CD1-CD1 3.77Å; L945-L994 HydrophobicContact CD1-CG 3.77Å |
| 946 | P | 89.7 | Confident | 90.7 | Very high | 120 Ų | 120 | 45.3 Ų | 45.3 | 78% | 0.779 | 22% | 0.219 | S | C | * | . | trans | -53.7 | 113.2 | 175.3 | -25.8 | 34.8 | 0 | 0 | 0 | 111.5 | ||||
| 947 | Q | 90 | Very high | 90.2 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | trans | -92.7 | 147 | 176.2 | 65.9 | 177.9 | -25.5 | 0 | 0 | 111.6 | P917 N940 D942 L945 Y949 F991 | P917-Q947 HydrophobicContact CG-CB 4.12Å; N940-Q947 PolarHBondContact O-NE2 2.7Å; D942-Q947 HydrophobicContact CB-CB 4.08Å; D942-Q947 HydrophobicContact CB-CG 3.71Å; L945-Q947 PolarHBondContact O-N 2.72Å; Q947-Y949 VanDerWaalsContact CD-OH 3.27Å; Q947-Y949 PolarHBondContact NE2-OH 2.02Å; Q947-F991 CarbonylContact C-O 3.48Å; Q947-F991 VanDerWaalsContact CA-O 3.32Å; Q947-F991 WeakPolarHBondContact CA-O 3.49Å | ||
| 948 | Q | 93.6 | Very high | 89.9 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156 | 169.1 | -57.1 | -168.8 | -68.1 | 0 | 0 | 109.3 | N969 S990 F991 | Q948-N969 WeakPolarHBondContact CG-OD1 3.38Å; Q948-N969 PolarHBondContact NE2-OD1 2.68Å; Q948-S990 WeakPolarHBondContact O-CA 3.43Å; Q948-F991 HydrophobicContact CB-CD1 4.31Å; Q948-F991 HydrophobicContact CB-CE1 3.71Å; Q948-F991 HydrophobicContact CB-CE2 3.98Å; Q948-F991 HydrophobicContact CB-CZ 3.53Å; Q948-F991 HydrophobicContact CG-CE2 4.48Å; Q948-F991 HydrophobicContact CG-CZ 4.35Å; Q948-F991 PolarHBondContact N-O 2.89Å; Q948-F991 VanDerWaalsContact O-CD1 3.31Å; Q948-F991 WeakPolarHBondContact O-CD1 3.17Å; Q948-F991 PolarHBondContact O-N 2.94Å |
| 949 | Y | 94.3 | Very high | 89.5 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.6 | 175 | -53.5 | -73.1 | 0 | 0 | 0 | 110.4 | P920 W937 A939 Q947 P967 V968 V970 T971 V988 E989 | P920-Y949 HydrophobicContact CG-CD1 3.91Å; P920-Y949 HydrophobicContact CG-CE1 4.07Å; W937-Y949 AromaticContact CE2-CD2 3.97Å; W937-Y949 AromaticContact CE2-CG 3.75Å; W937-Y949 AromaticContact CZ2-CD2 3.9Å; W937-Y949 HydrophobicContact CZ2-CD2 3.9Å; W937-Y949 AromaticContact CZ2-CG 3.77Å; W937-Y949 HydrophobicContact CZ2-CG 3.77Å; W937-Y949 AromaticContact NE1-CD1 3.31Å; W937-Y949 VanDerWaalsContact NE1-CD1 3.31Å; W937-Y949 AromaticContact NE1-CD2 3.41Å; W937-Y949 AromaticContact NE1-CE1 3.63Å; W937-Y949 AromaticContact NE1-CE2 3.71Å; W937-Y949 AromaticContact NE1-CG 3.2Å; W937-Y949 AromaticContact NE1-CZ 3.83Å; A939-Y949 WeakPolarHBondContact CB-OH 3.37Å; Q947-Y949 VanDerWaalsContact CD-OH 3.27Å; Q947-Y949 PolarHBondContact NE2-OH 2.02Å; Y949-P967 CarbonylContact O-C 3.58Å; Y949-P967 VanDerWaalsContact O-CA 3.22Å; Y949-P967 WeakPolarHBondContact O-CA 3.33Å; Y949-V968 PolarHBondContact N-O 2.99Å; Y949-V968 PolarHBondContact O-N 2.86Å; Y949-V970 WeakPolarHBondContact CD2-O 3.36Å; Y949-T971 HydrophobicContact CE2-CG2 3.88Å; Y949-V988 HydrophobicContact CD1-CG1 4.44Å; Y949-E989 VanDerWaalsContact CA-O 3.3Å; Y949-E989 WeakPolarHBondContact CA-O 3.36Å |
| 950 | R | 91.5 | Very high | 89.2 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.1 | 172.8 | 171.1 | 164.6 | 50.7 | -147.2 | -10.6 | 108.9 | Y964 E989 F991 | R950-Y964 HydrophobicContact CG-CD1 3.82Å; R950-E989 HydrophobicContact CB-CG 4.23Å; R950-E989 IonicContact CZ-OE1 3.89Å; R950-E989 PolarHBondContact N-O 2.9Å; R950-E989 VanDerWaalsContact N-O 3.09Å; R950-E989 IonicContact NE-OE1 2.6Å; R950-E989 PolarHBondContact NE-OE1 2.94Å; R950-E989 IonicContact NH2-OE1 2.72Å; R950-E989 PolarHBondContact NH2-OE1 3.2Å; R950-E989 PolarHBondContact O-N 3.23Å; R950-E989 VanDerWaalsContact O-N 3.16Å; R950-F991 HydrophobicContact CB-CD1 4.36Å; R950-F991 HydrophobicContact CB-CE1 3.81Å |
| 951 | V | 93 | Very high | 89.1 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.4 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | L935 W937 Y964 A965 I973 F986 S987 V988 | L935-V951 HydrophobicContact CD1-CG1 3.8Å; W937-V951 HydrophobicContact CH2-CG2 3.96Å; W937-V951 HydrophobicContact CZ3-CG2 4.07Å; V951-Y964 WeakPolarHBondContact O-CA 3.37Å; V951-A965 HydrophobicContact CB-CB 4.03Å; V951-A965 PolarHBondContact O-N 2.82Å; V951-I973 HydrophobicContact CG2-CG2 3.81Å; V951-F986 HydrophobicContact CG1-CB 4.44Å; V951-F986 HydrophobicContact CG1-CD1 4.17Å; V951-S987 CarbonylContact C-O 3.57Å; V951-S987 WeakPolarHBondContact CA-O 3.36Å; V951-V988 HydrophobicContact CB-CG2 4.4Å; V951-V988 HydrophobicContact CG1-CG2 4.24Å; V951-V988 HydrophobicContact CG2-CG1 4.4Å; V951-V988 HydrophobicContact CG2-CG2 3.86Å |
| 952 | R | 90.7 | Very high | 88.9 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.3 | 168.3 | 178.4 | -171.3 | 170.7 | -143.4 | -0.8 | 108.1 | V962 L963 Y964 S987 I999 | R952-V962 HydrophobicContact CG-CG1 3.43Å; R952-V962 VanDerWaalsContact CG-CG1 3.43Å; R952-V962 VanDerWaalsContact NH2-CG2 3.34Å; R952-L963 WeakPolarHBondContact CA-O 3.33Å; R952-Y964 HydrophobicContact CB-CD1 3.84Å; R952-Y964 HydrophobicContact CB-CE1 3.6Å; R952-Y964 HydrophobicContact CG-CD1 4.19Å; R952-Y964 HydrophobicContact CG-CE1 3.67Å; R952-S987 PolarHBondContact N-O 3.02Å; R952-S987 PolarHBondContact O-N 3.2Å; R952-S987 PolarHBondContact O-OG 2.77Å; R952-I999 HydrophobicContact CB-CD1 3.64Å; R952-I999 HydrophobicContact CG-CD1 4.11Å |
| 953 | Y | 93.5 | Very high | 88.9 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 13% | 0.125 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.6 | 178.1 | 70.5 | -79.8 | 0 | 0 | 0 | 112.4 | L963 A965 V975 L978 Y984 S985 F986 | Y953-L963 HydrophobicContact CD1-CB 4.16Å; Y953-L963 HydrophobicContact CD2-CB 4.24Å; Y953-L963 HydrophobicContact CE1-CB 3.76Å; Y953-L963 HydrophobicContact CE2-CB 3.85Å; Y953-L963 HydrophobicContact CE2-CD1 3.71Å; Y953-L963 HydrophobicContact CE2-CG 4.42Å; Y953-L963 HydrophobicContact CG-CB 4.38Å; Y953-L963 PolarHBondContact N-O 2.85Å; Y953-L963 CarbonylContact O-C 3.56Å; Y953-L963 WeakPolarHBondContact O-CA 3.38Å; Y953-L963 WeakPolarHBondContact O-CB 3.39Å; Y953-L963 PolarHBondContact O-N 2.86Å; Y953-A965 HydrophobicContact CE1-CB 4.34Å; Y953-V975 HydrophobicContact CD1-CG1 4.43Å; Y953-V975 HydrophobicContact CE1-CG1 4.02Å; Y953-V975 HydrophobicContact CE2-CG1 4.12Å; Y953-L978 HydrophobicContact CD2-CD2 4.18Å; Y953-L978 HydrophobicContact CE2-CD2 3.7Å; Y953-Y984 HydrophobicContact CD2-CD1 4.04Å; Y953-Y984 HydrophobicContact CD2-CE1 4.45Å; Y953-S985 WeakPolarHBondContact CA-O 3.15Å; Y953-S985 WeakPolarHBondContact CB-O 3.36Å; Y953-F986 HydrophobicContact CD2-CE1 4.14Å; Y953-F986 HydrophobicContact CG-CD1 4.1Å; Y953-F986 AromaticContact CG-CE1 3.95Å; Y953-F986 HydrophobicContact CG-CE1 3.95Å |
| 954 | Y | 91.3 | Very high | 89 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 150.5 | 175.4 | 55.7 | -91.5 | 0 | 0 | 0 | 109.7 | P959 Y984 S985 | Y954-P959 HydrophobicContact CD2-CB 3.86Å; Y954-P959 HydrophobicContact CE2-CB 3.88Å; Y954-Y984 VanDerWaalsContact O-CA 3.3Å; Y954-Y984 WeakPolarHBondContact O-CA 3.49Å; Y954-Y984 WeakPolarHBondContact O-CD1 3.27Å; Y954-S985 VanDerWaalsContact CZ-CB 3.42Å; Y954-S985 PolarHBondContact N-O 2.98Å; Y954-S985 VanDerWaalsContact N-O 3.15Å; Y954-S985 PolarHBondContact O-N 2.81Å; Y954-S985 PolarHBondContact OH-OG 3.14Å |
| 955 | S | 90.4 | Very high | 89.1 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 137.2 | 167.6 | 164.7 | 0 | 0 | 0 | 0 | 108.5 | D957 S958 T982 K983 | S955-D957 PolarHBondContact O-N 3.35Å; S955-D957 WeakPolarHBondContact OG-CB 3.48Å; S955-D957 PolarHBondContact OG-N 2.84Å; S955-D957 PolarHBondContact OG-OD2 2.83Å; S955-S958 CarbonylContact O-C 3.39Å; S955-S958 PolarHBondContact O-N 2.88Å; S955-T982 WeakPolarHBondContact OG-CG2 3.38Å; S955-K983 WeakPolarHBondContact CA-O 3.18Å |
| 956 | Q | 85.6 | Confident | 89.1 | Confident | 78 Ų | 78 | 72.4 Ų | 72.4 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18 | 175.1 | -161.2 | 163 | 51.1 | 0 | 0 | 112.2 | S958 K983 E1005 | Q956-S958 VanDerWaalsContact C-N 3.32Å; Q956-K983 HydrophobicContact CB-CB 3.96Å; Q956-K983 PolarHBondContact N-O 2.96Å; Q956-E1005 PolarHBondContact NE2-OE1 2.9Å |
| 957 | D | 84.4 | Confident | 89.2 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 67% | 0.668 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.7 | 172.4 | -45.5 | -48.3 | 0 | 0 | 0 | 112.7 | S955 T982 | S955-D957 PolarHBondContact O-N 3.35Å; S955-D957 WeakPolarHBondContact OG-CB 3.48Å; S955-D957 PolarHBondContact OG-N 2.84Å; S955-D957 PolarHBondContact OG-OD2 2.83Å; D957-T982 WeakPolarHBondContact OD2-CG2 3.36Å |
| 958 | S | 84.9 | Confident | 89.4 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -148.4 | 65.8 | 179.1 | 47.2 | 0 | 0 | 0 | 0 | 112 | S955 Q956 D960 N961 | S955-S958 CarbonylContact O-C 3.39Å; S955-S958 PolarHBondContact O-N 2.88Å; Q956-S958 VanDerWaalsContact C-N 3.32Å; S958-D960 VanDerWaalsContact C-N 3.27Å; S958-D960 PolarHBondContact O-N 2.89Å; S958-N961 WeakPolarHBondContact O-CB 3.38Å; S958-N961 PolarHBondContact O-N 3.15Å | ||
| 959 | P | 82.3 | Confident | 89.3 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -24.8 | -171 | 24.7 | -33.7 | 0 | 0 | 0 | 115 | Y954 N961 | Y954-P959 HydrophobicContact CD2-CB 3.86Å; Y954-P959 HydrophobicContact CE2-CB 3.88Å; P959-N961 VanDerWaalsContact C-N 3.29Å |
| 960 | D | 83.5 | Confident | 89.2 | Confident | 159 Ų | 159 | 74.6 Ų | 74.6 | 85% | 0.85 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24 | 174.2 | -57.2 | -47.4 | 0 | 0 | 0 | 112.5 | S958 V962 | S958-D960 VanDerWaalsContact C-N 3.27Å; S958-D960 PolarHBondContact O-N 2.89Å; D960-V962 VanDerWaalsContact C-N 3.29Å; D960-V962 PolarHBondContact O-N 2.79Å |
| 961 | N | 87.1 | Confident | 89.2 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -84.3 | 73.3 | 178.8 | -171.7 | 22.5 | 0 | 0 | 0 | 111 | S958 P959 L963 | S958-N961 WeakPolarHBondContact O-CB 3.38Å; S958-N961 PolarHBondContact O-N 3.15Å; P959-N961 VanDerWaalsContact C-N 3.29Å; N961-L963 PolarHBondContact O-N 3.24Å |
| 962 | V | 86.6 | Confident | 89.3 | Confident | 40 Ų | 40 | 77.9 Ų | 77.9 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | trans | -73.1 | 116.3 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | R952 D960 Y964 | R952-V962 HydrophobicContact CG-CG1 3.43Å; R952-V962 VanDerWaalsContact CG-CG1 3.43Å; R952-V962 VanDerWaalsContact NH2-CG2 3.34Å; D960-V962 VanDerWaalsContact C-N 3.29Å; D960-V962 PolarHBondContact O-N 2.79Å; V962-Y964 HydrophobicContact CG1-CD2 4.27Å; V962-Y964 HydrophobicContact CG1-CE2 3.58Å | ||
| 963 | L | 90 | Very high | 89.4 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 155.4 | 172.3 | -60 | 176.5 | 0 | 0 | 0 | 111.2 | R952 Y953 N961 | R952-L963 WeakPolarHBondContact CA-O 3.33Å; Y953-L963 HydrophobicContact CD1-CB 4.16Å; Y953-L963 HydrophobicContact CD2-CB 4.24Å; Y953-L963 HydrophobicContact CE1-CB 3.76Å; Y953-L963 HydrophobicContact CE2-CB 3.85Å; Y953-L963 HydrophobicContact CE2-CD1 3.71Å; Y953-L963 HydrophobicContact CE2-CG 4.42Å; Y953-L963 HydrophobicContact CG-CB 4.38Å; Y953-L963 PolarHBondContact N-O 2.85Å; Y953-L963 CarbonylContact O-C 3.56Å; Y953-L963 WeakPolarHBondContact O-CA 3.38Å; Y953-L963 WeakPolarHBondContact O-CB 3.39Å; Y953-L963 PolarHBondContact O-N 2.86Å; N961-L963 PolarHBondContact O-N 3.24Å |
| 964 | Y | 90.9 | Very high | 89.4 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 49% | 0.486 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.7 | 175.6 | -68 | -90.3 | 0 | 0 | 0 | 109.5 | R950 V951 R952 V962 | R950-Y964 HydrophobicContact CG-CD1 3.82Å; V951-Y964 WeakPolarHBondContact O-CA 3.37Å; R952-Y964 HydrophobicContact CB-CD1 3.84Å; R952-Y964 HydrophobicContact CB-CE1 3.6Å; R952-Y964 HydrophobicContact CG-CD1 4.19Å; R952-Y964 HydrophobicContact CG-CE1 3.67Å; V962-Y964 HydrophobicContact CG1-CD2 4.27Å; V962-Y964 HydrophobicContact CG1-CE2 3.58Å |
| 965 | A | 88.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 75 Ų | 75 | 12% | 0.116 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 156 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V951 Y953 I973 | V951-A965 HydrophobicContact CB-CB 4.03Å; V951-A965 PolarHBondContact O-N 2.82Å; Y953-A965 HydrophobicContact CE1-CB 4.34Å; A965-I973 HydrophobicContact CB-CD1 3.9Å |
| 966 | R | 89.3 | Confident | 89.4 | Confident | 222 Ų | 222 | 82.8 Ų | 82.8 | 84% | 0.838 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 136.8 | 172.6 | -68.7 | -175.3 | 178.4 | -175.9 | -0.4 | 109.6 | ||
| 967 | P | 92.1 | Very high | 89.5 | Confident | 59 Ų | 59 | 82.5 Ų | 82.5 | 38% | 0.383 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 143.3 | 176.8 | -26.1 | 34.8 | 0 | 0 | 0 | 112.5 | Y949 F991 | Y949-P967 CarbonylContact O-C 3.58Å; Y949-P967 VanDerWaalsContact O-CA 3.22Å; Y949-P967 WeakPolarHBondContact O-CA 3.33Å; P967-F991 HydrophobicContact CB-CE1 4.19Å; P967-F991 HydrophobicContact CB-CZ 3.92Å; P967-F991 HydrophobicContact CG-CE1 4.48Å; P967-F991 HydrophobicContact CG-CZ 4.12Å |
| 968 | V | 93.1 | Very high | 89.8 | Confident | 27 Ų | 27 | 76.9 Ų | 76.9 | 16% | 0.164 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -128 | 144.3 | -179.9 | -69 | 0 | 0 | 0 | 0 | 111.5 | W937 Y949 V970 I973 | W937-V968 HydrophobicContact CH2-CG2 3.97Å; W937-V968 HydrophobicContact CZ2-CG2 3.92Å; Y949-V968 PolarHBondContact N-O 2.99Å; Y949-V968 PolarHBondContact O-N 2.86Å; V968-V970 VanDerWaalsContact C-N 3.26Å; V968-V970 HydrophobicContact CB-CG2 3.98Å; V968-V970 HydrophobicContact CG2-CG2 4.39Å; V968-V970 WeakPolarHBondContact CG2-O 3.47Å; V968-V970 PolarHBondContact O-N 2.64Å; V968-I973 HydrophobicContact CG1-CD1 3.73Å; V968-I973 HydrophobicContact CG1-CG1 4.16Å; V968-I973 HydrophobicContact CG2-CD1 4.41Å |
| 969 | N | 91.4 | Very high | 89.9 | Confident | 116 Ų | 116 | 77.6 Ų | 77.6 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -92.2 | 14.3 | 177.3 | -57.5 | 12.7 | 0 | 0 | 0 | 111.8 | Q948 | Q948-N969 WeakPolarHBondContact CG-OD1 3.38Å; Q948-N969 PolarHBondContact NE2-OD1 2.68Å |
| 970 | V | 93.2 | Very high | 90.2 | Very high | 70 Ų | 70 | 77.3 Ų | 77.3 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -127.5 | 155.4 | -176.2 | -70.7 | 0 | 0 | 0 | 0 | 110.1 | W937 Y949 V968 H972 | W937-V970 VanDerWaalsContact CZ2-O 3.23Å; W937-V970 WeakPolarHBondContact CZ2-O 3.31Å; Y949-V970 WeakPolarHBondContact CD2-O 3.36Å; V968-V970 VanDerWaalsContact C-N 3.26Å; V968-V970 HydrophobicContact CB-CG2 3.98Å; V968-V970 HydrophobicContact CG2-CG2 4.39Å; V968-V970 WeakPolarHBondContact CG2-O 3.47Å; V968-V970 PolarHBondContact O-N 2.64Å; V970-H972 WeakPolarHBondContact CG2-O 3.5Å; V970-H972 PolarHBondContact O-N 3.26Å |
| 971 | T | 92 | Very high | 90.4 | Very high | 42 Ų | 42 | 72.8 Ų | 72.8 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -88.4 | 27 | -174.6 | 68 | 0 | 0 | 0 | 0 | 114.3 | R936 W937 A939 Y949 | R936-T971 WeakPolarHBondContact CA-O 3.38Å; W937-T971 PolarHBondContact N-O 3.03Å; W937-T971 WeakPolarHBondContact O-CB 3.31Å; A939-T971 HydrophobicContact CB-CG2 3.79Å; Y949-T971 HydrophobicContact CE2-CG2 3.88Å |
| 972 | H | 93.2 | Very high | 90.4 | Very high | 106 Ų | 106 | 69.2 Ų | 69.2 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 153.1 | 176 | 65.5 | -82.6 | 0 | 0 | 0 | 110.4 | L935 R936 V970 | L935-H972 CarbonylContact O-C 3.54Å; L935-H972 WeakPolarHBondContact O-CA 3.36Å; L935-H972 WeakPolarHBondContact O-CB 3.16Å; R936-H972 HydrophobicContact CB-CB 4.43Å; V970-H972 WeakPolarHBondContact CG2-O 3.5Å; V970-H972 PolarHBondContact O-N 3.26Å |
| 973 | I | 93.9 | Very high | 90.7 | Very high | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 152 | 174.3 | -162.6 | 173.4 | 0 | 0 | 0 | 109.8 | A934 L935 W937 V951 A965 V968 V975 | A934-I973 WeakPolarHBondContact CA-O 3.47Å; L935-I973 HydrophobicContact CB-CG2 4.23Å; L935-I973 HydrophobicContact CD1-CG2 4.34Å; L935-I973 PolarHBondContact N-O 2.92Å; L935-I973 PolarHBondContact O-N 2.87Å; W937-I973 HydrophobicContact CH2-CB 4.14Å; W937-I973 HydrophobicContact CH2-CG2 3.96Å; W937-I973 HydrophobicContact CZ3-CB 4.48Å; W937-I973 HydrophobicContact CZ3-CG2 3.93Å; V951-I973 HydrophobicContact CG2-CG2 3.81Å; A965-I973 HydrophobicContact CB-CD1 3.9Å; V968-I973 HydrophobicContact CG1-CD1 3.73Å; V968-I973 HydrophobicContact CG1-CG1 4.16Å; V968-I973 HydrophobicContact CG2-CD1 4.41Å; I973-V975 HydrophobicContact CG2-CG2 4.11Å |
| 974 | V | 93.8 | Very high | 90.9 | Very high | 69 Ų | 69 | 69 Ų | 69 | 42% | 0.418 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 108.3 | 165.2 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | A934 R976 | A934-V974 HydrophobicContact CB-CG2 3.96Å; V974-R976 HydrophobicContact CG1-CG 3.95Å |
| 975 | V | 91.4 | Very high | 91 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123 | 171.5 | -171.4 | 0 | 0 | 0 | 0 | 107 | S932 V933 L935 Y953 I973 L978 F986 | S932-V975 CarbonylContact C-O 3.56Å; S932-V975 WeakPolarHBondContact CA-O 3.38Å; S932-V975 WeakPolarHBondContact CB-O 3.15Å; V933-V975 PolarHBondContact N-O 3.32Å; V933-V975 PolarHBondContact O-N 3.2Å; L935-V975 HydrophobicContact CD1-CG2 4.18Å; Y953-V975 HydrophobicContact CD1-CG1 4.43Å; Y953-V975 HydrophobicContact CE1-CG1 4.02Å; Y953-V975 HydrophobicContact CE2-CG1 4.12Å; I973-V975 HydrophobicContact CG2-CG2 4.11Å; V975-L978 HydrophobicContact CB-CD1 4.44Å; V975-L978 HydrophobicContact CG1-CD1 4.32Å; V975-L978 HydrophobicContact CG1-CD2 3.9Å; V975-L978 HydrophobicContact CG1-CG 4.26Å; V975-F986 HydrophobicContact CB-CE1 4.22Å; V975-F986 HydrophobicContact CG1-CE1 4.3Å; V975-F986 HydrophobicContact CG2-CD1 4.41Å; V975-F986 HydrophobicContact CG2-CE1 4.02Å |
| 976 | R | 90.4 | Very high | 91.3 | Very high | 175 Ų | 175 | 62.6 Ų | 62.6 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 163.4 | -176.5 | -63.8 | -178.5 | 174.8 | -110.7 | 5 | 110.7 | D931 V974 | D931-R976 CarbonylContact O-C 3.57Å; V974-R976 HydrophobicContact CG1-CG 3.95Å |
| 977 | G | 86.4 | Confident | 91.5 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 74% | 0.742 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 77.5 | 27.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D931 | D931-G977 PolarHBondContact O-N 2.83Š|
| 978 | L | 91.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 146.7 | 173.2 | -58.7 | 178.2 | 0 | 0 | 0 | 109.4 | D931 V933 Y953 V975 Y984 F986 T1008 | D931-L978 WeakPolarHBondContact CA-O 3.2Å; D931-L978 PolarHBondContact O-N 2.73Å; V933-L978 HydrophobicContact CB-CD1 3.88Å; V933-L978 HydrophobicContact CG2-CD1 3.58Å; Y953-L978 HydrophobicContact CD2-CD2 4.18Å; Y953-L978 HydrophobicContact CE2-CD2 3.7Å; V975-L978 HydrophobicContact CB-CD1 4.44Å; V975-L978 HydrophobicContact CG1-CD1 4.32Å; V975-L978 HydrophobicContact CG1-CD2 3.9Å; V975-L978 HydrophobicContact CG1-CG 4.26Å; L978-Y984 HydrophobicContact CB-CD2 4.38Å; L978-Y984 HydrophobicContact CB-CE2 3.7Å; L978-Y984 HydrophobicContact CD1-CD2 4.27Å; L978-Y984 HydrophobicContact CD1-CE2 4.39Å; L978-Y984 HydrophobicContact CD2-CD1 4.12Å; L978-Y984 HydrophobicContact CD2-CD2 4.25Å; L978-Y984 HydrophobicContact CD2-CE1 3.83Å; L978-Y984 HydrophobicContact CD2-CE2 3.94Å; L978-Y984 HydrophobicContact CD2-CG 4.33Å; L978-Y984 HydrophobicContact CG-CE2 4.22Å; L978-F986 HydrophobicContact CD1-CZ 4.05Å; L978-T1008 HydrophobicContact CB-CG2 3.83Å; L978-T1008 HydrophobicContact CD1-CG2 4.14Å |
| 979 | S | 87.9 | Confident | 91.4 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 139.6 | 175 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | T982 Y984 T1008 | S979-T982 VanDerWaalsContact CB-OG1 3.32Å; S979-T982 WeakPolarHBondContact CB-OG1 3.24Å; S979-Y984 PolarHBondContact N-OH 3.44Å; S979-T1008 PolarHBondContact O-OG1 3.46Å |
| 980 | P | 88.7 | Confident | 91.5 | Very high | 59 Ų | 59 | 44 Ų | 44 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 145.5 | 172.7 | -21.7 | 32.3 | 0 | 0 | 0 | 112.1 | Q930 T982 T1008 | Q930-P980 WeakPolarHBondContact O-CA 3.26Å; Q930-P980 WeakPolarHBondContact O-CG 3.46Å; P980-T982 PolarHBondContact O-N 2.97Å; P980-T1008 WeakPolarHBondContact CA-OG1 3.32Å |
| 981 | L | 86.4 | Confident | 91.5 | Very high | 65 Ų | 65 | 42.2 Ų | 42.2 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 2 | -178.6 | -57.3 | 166.7 | 0 | 0 | 0 | 117.1 | K1007 T1008 H1010 | L981-K1007 WeakPolarHBondContact O-CE 3.34Å; L981-T1008 WeakPolarHBondContact CA-O 3.28Å; L981-T1008 PolarHBondContact N-O 3.39Å; L981-T1008 PolarHBondContact N-OG1 2.86Å; L981-H1010 VanDerWaalsContact CD1-CE1 3.44Å; L981-H1010 WeakPolarHBondContact CD1-CE1 3.31Å; L981-H1010 HydrophobicContact CD2-CB 4.33Å; L981-H1010 WeakPolarHBondContact CD2-CD2 3.42Å; L981-H1010 WeakPolarHBondContact CD2-NE2 3.16Å |
| 982 | T | 88.1 | Confident | 91.5 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | trans | -80.7 | 136 | 177.2 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | S955 D957 S979 P980 Y984 T1008 | S955-T982 WeakPolarHBondContact OG-CG2 3.38Å; D957-T982 WeakPolarHBondContact OD2-CG2 3.36Å; S979-T982 VanDerWaalsContact CB-OG1 3.32Å; S979-T982 WeakPolarHBondContact CB-OG1 3.24Å; P980-T982 PolarHBondContact O-N 2.97Å; T982-Y984 HydrophobicContact CG2-CD2 3.96Å; T982-Y984 HydrophobicContact CG2-CE1 4.19Å; T982-Y984 HydrophobicContact CG2-CE2 3.41Å; T982-Y984 VanDerWaalsContact CG2-CE2 3.41Å; T982-Y984 WeakPolarHBondContact O-CD2 3.35Å; T982-T1008 PolarHBondContact N-OG1 2.68Å; T982-T1008 VanDerWaalsContact N-OG1 3.15Å; T982-T1008 PolarHBondContact O-N 3.42Å; T982-T1008 PolarHBondContact O-OG1 2.77Å | ||
| 983 | K | 92.5 | Very high | 91.4 | Very high | 90 Ų | 90 | 43.5 Ų | 43.5 | 39% | 0.391 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 132.6 | 169.1 | -80 | -169.4 | 172.4 | -163.7 | 0 | 109.7 | S955 Q956 E1005 K1007 | S955-K983 WeakPolarHBondContact CA-O 3.18Å; Q956-K983 HydrophobicContact CB-CB 3.96Å; Q956-K983 PolarHBondContact N-O 2.96Å; K983-E1005 IonicContact NZ-OE2 2.94Å; K983-K1007 HydrophobicContact CG-CB 3.91Å; K983-K1007 HydrophobicContact CG-CD 4.16Å; K983-K1007 HydrophobicContact CG-CG 3.84Å |
| 984 | Y | 94.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.7 | 175.3 | -70 | -87.9 | 0 | 0 | 0 | 110.5 | Y953 Y954 L978 S979 T982 F986 E1005 A1006 T1008 | Y953-Y984 HydrophobicContact CD2-CD1 4.04Å; Y953-Y984 HydrophobicContact CD2-CE1 4.45Å; Y954-Y984 VanDerWaalsContact O-CA 3.3Å; Y954-Y984 WeakPolarHBondContact O-CA 3.49Å; Y954-Y984 WeakPolarHBondContact O-CD1 3.27Å; L978-Y984 HydrophobicContact CB-CD2 4.38Å; L978-Y984 HydrophobicContact CB-CE2 3.7Å; L978-Y984 HydrophobicContact CD1-CD2 4.27Å; L978-Y984 HydrophobicContact CD1-CE2 4.39Å; L978-Y984 HydrophobicContact CD2-CD1 4.12Å; L978-Y984 HydrophobicContact CD2-CD2 4.25Å; L978-Y984 HydrophobicContact CD2-CE1 3.83Å; L978-Y984 HydrophobicContact CD2-CE2 3.94Å; L978-Y984 HydrophobicContact CD2-CG 4.33Å; L978-Y984 HydrophobicContact CG-CE2 4.22Å; S979-Y984 PolarHBondContact N-OH 3.44Å; T982-Y984 HydrophobicContact CG2-CD2 3.96Å; T982-Y984 HydrophobicContact CG2-CE1 4.19Å; T982-Y984 HydrophobicContact CG2-CE2 3.41Å; T982-Y984 VanDerWaalsContact CG2-CE2 3.41Å; T982-Y984 WeakPolarHBondContact O-CD2 3.35Å; Y984-F986 VanDerWaalsContact CB-CZ 3.44Å; Y984-F986 HydrophobicContact CG-CE2 4.48Å; Y984-F986 HydrophobicContact CG-CZ 4.15Å; Y984-E1005 CarbonylContact O-C 3.46Å; Y984-E1005 VanDerWaalsContact O-CA 3.32Å; Y984-E1005 WeakPolarHBondContact O-CA 3.33Å; Y984-A1006 PolarHBondContact N-O 3.04Å; Y984-A1006 PolarHBondContact O-N 3.14Å; Y984-T1008 HydrophobicContact CE2-CG2 4.5Å |
| 985 | S | 93.2 | Very high | 91 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 136.4 | 166.8 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | Y953 Y954 I1004 | Y953-S985 WeakPolarHBondContact CA-O 3.15Å; Y953-S985 WeakPolarHBondContact CB-O 3.36Å; Y954-S985 VanDerWaalsContact CZ-CB 3.42Å; Y954-S985 PolarHBondContact N-O 2.98Å; Y954-S985 VanDerWaalsContact N-O 3.15Å; Y954-S985 PolarHBondContact O-N 2.81Å; Y954-S985 PolarHBondContact OH-OG 3.14Å; S985-I1004 CarbonylContact C-O 3.55Å; S985-I1004 WeakPolarHBondContact CA-O 3.35Å |
| 986 | F | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.4 | -178.3 | -59.2 | -90.3 | 0 | 0 | 0 | 110.6 | V933 L935 V951 Y953 V975 L978 Y984 S1003 I1004 A1006 | V933-F986 HydrophobicContact CB-CE2 4.28Å; V933-F986 HydrophobicContact CB-CZ 3.91Å; V933-F986 HydrophobicContact CG1-CE2 3.96Å; V933-F986 HydrophobicContact CG1-CZ 4.01Å; V933-F986 HydrophobicContact CG2-CE2 4.23Å; V933-F986 HydrophobicContact CG2-CZ 4.03Å; L935-F986 HydrophobicContact CD1-CB 3.9Å; L935-F986 HydrophobicContact CD1-CD1 3.62Å; L935-F986 HydrophobicContact CD1-CE1 4.33Å; L935-F986 HydrophobicContact CD1-CG 3.83Å; L935-F986 HydrophobicContact CD2-CB 4.38Å; L935-F986 HydrophobicContact CD2-CD2 4.4Å; L935-F986 HydrophobicContact CD2-CG 4.26Å; V951-F986 HydrophobicContact CG1-CB 4.44Å; V951-F986 HydrophobicContact CG1-CD1 4.17Å; Y953-F986 HydrophobicContact CD2-CE1 4.14Å; Y953-F986 HydrophobicContact CG-CD1 4.1Å; Y953-F986 AromaticContact CG-CE1 3.95Å; Y953-F986 HydrophobicContact CG-CE1 3.95Å; V975-F986 HydrophobicContact CB-CE1 4.22Å; V975-F986 HydrophobicContact CG1-CE1 4.3Å; V975-F986 HydrophobicContact CG2-CD1 4.41Å; V975-F986 HydrophobicContact CG2-CE1 4.02Å; L978-F986 HydrophobicContact CD1-CZ 4.05Å; Y984-F986 VanDerWaalsContact CB-CZ 3.44Å; Y984-F986 HydrophobicContact CG-CE2 4.48Å; Y984-F986 HydrophobicContact CG-CZ 4.15Å; F986-S1003 CarbonylContact O-C 3.49Å; F986-S1003 WeakPolarHBondContact O-CA 3.28Å; F986-S1003 WeakPolarHBondContact O-CB 3.43Å; F986-I1004 HydrophobicContact CB-CG2 4.09Å; F986-I1004 PolarHBondContact N-O 2.83Å; F986-I1004 PolarHBondContact O-N 2.94Å; F986-A1006 HydrophobicContact CE2-CB 4.09Å |
| 987 | S | 92.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.4 | 175.1 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | V951 R952 | V951-S987 CarbonylContact C-O 3.57Å; V951-S987 WeakPolarHBondContact CA-O 3.36Å; R952-S987 PolarHBondContact N-O 3.02Å; R952-S987 PolarHBondContact O-N 3.2Å; R952-S987 PolarHBondContact O-OG 2.77Å |
| 988 | V | 92.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.1 | -174.3 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | P920 L923 W937 Y949 V951 | P920-V988 HydrophobicContact CG-CB 4.47Å; P920-V988 HydrophobicContact CG-CG1 4.13Å; L923-V988 HydrophobicContact CD1-CG2 3.6Å; L923-V988 HydrophobicContact CD2-CG2 3.91Å; L923-V988 HydrophobicContact CG-CG2 4.39Å; W937-V988 HydrophobicContact CD2-CG1 4.12Å; W937-V988 HydrophobicContact CD2-CG2 4.36Å; W937-V988 HydrophobicContact CE3-CG1 4.48Å; W937-V988 HydrophobicContact CE3-CG2 4.03Å; W937-V988 HydrophobicContact CZ2-CG1 4.22Å; W937-V988 HydrophobicContact CZ3-CG2 4.29Å; Y949-V988 HydrophobicContact CD1-CG1 4.44Å; V951-V988 HydrophobicContact CB-CG2 4.4Å; V951-V988 HydrophobicContact CG1-CG2 4.24Å; V951-V988 HydrophobicContact CG2-CG1 4.4Å; V951-V988 HydrophobicContact CG2-CG2 3.86Å |
| 989 | E | 91.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150.8 | 166.9 | 51.7 | 164.5 | -171.1 | 0 | 0 | 111.5 | Y949 R950 T996 I999 | Y949-E989 VanDerWaalsContact CA-O 3.3Å; Y949-E989 WeakPolarHBondContact CA-O 3.36Å; R950-E989 HydrophobicContact CB-CG 4.23Å; R950-E989 IonicContact CZ-OE1 3.89Å; R950-E989 PolarHBondContact N-O 2.9Å; R950-E989 VanDerWaalsContact N-O 3.09Å; R950-E989 IonicContact NE-OE1 2.6Å; R950-E989 PolarHBondContact NE-OE1 2.94Å; R950-E989 IonicContact NH2-OE1 2.72Å; R950-E989 PolarHBondContact NH2-OE1 3.2Å; R950-E989 PolarHBondContact O-N 3.23Å; R950-E989 VanDerWaalsContact O-N 3.16Å; E989-T996 WeakPolarHBondContact OE2-CB 3.33Å; E989-T996 WeakPolarHBondContact OE2-CG2 3.35Å; E989-T996 PolarHBondContact OE2-OG1 2.79Å; E989-I999 HydrophobicContact CB-CG1 3.7Å; E989-I999 HydrophobicContact CG-CD1 4.44Å; E989-I999 HydrophobicContact CG-CG1 3.78Å |
| 990 | S | 92.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.8 | 164.6 | 45.5 | 0 | 0 | 0 | 0 | 109.5 | D918 P919 P920 Q948 T996 | D918-S990 PolarHBondContact O-OG 2.92Å; P919-S990 WeakPolarHBondContact CA-OG 3.27Å; P920-S990 WeakPolarHBondContact CD-OG 3.26Å; Q948-S990 WeakPolarHBondContact O-CA 3.43Å; S990-T996 PolarHBondContact O-OG1 3.15Å |
| 991 | F | 92.8 | Very high | 87 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 148.7 | 177.8 | 69.6 | -85 | 0 | 0 | 0 | 111.6 | Q947 Q948 R950 P967 G995 | Q947-F991 CarbonylContact C-O 3.48Å; Q947-F991 VanDerWaalsContact CA-O 3.32Å; Q947-F991 WeakPolarHBondContact CA-O 3.49Å; Q948-F991 HydrophobicContact CB-CD1 4.31Å; Q948-F991 HydrophobicContact CB-CE1 3.71Å; Q948-F991 HydrophobicContact CB-CE2 3.98Å; Q948-F991 HydrophobicContact CB-CZ 3.53Å; Q948-F991 HydrophobicContact CG-CE2 4.48Å; Q948-F991 HydrophobicContact CG-CZ 4.35Å; Q948-F991 PolarHBondContact N-O 2.89Å; Q948-F991 VanDerWaalsContact O-CD1 3.31Å; Q948-F991 WeakPolarHBondContact O-CD1 3.17Å; Q948-F991 PolarHBondContact O-N 2.94Å; R950-F991 HydrophobicContact CB-CD1 4.36Å; R950-F991 HydrophobicContact CB-CE1 3.81Å; P967-F991 HydrophobicContact CB-CE1 4.19Å; P967-F991 HydrophobicContact CB-CZ 3.92Å; P967-F991 HydrophobicContact CG-CE1 4.48Å; P967-F991 HydrophobicContact CG-CZ 4.12Å; F991-G995 WeakPolarHBondContact CA-O 3.08Å |
| 992 | N | 92.9 | Very high | 86.4 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | -170.9 | 173.4 | 73.5 | 22.9 | 0 | 0 | 0 | 109.8 | S915 P917 D942 L945 L994 G995 | S915-N992 PolarHBondContact O-ND2 2.94Å; P917-N992 WeakPolarHBondContact CD-ND2 3.5Å; P917-N992 HydrophobicContact CG-CB 3.86Å; D942-N992 PolarHBondContact O-ND2 2.85Å; L945-N992 HydrophobicContact CB-CB 4.05Å; N992-L994 PolarHBondContact O-N 3.45Å; N992-L994 VanDerWaalsContact O-N 3.09Å; N992-L994 WeakPolarHBondContact OD1-CB 3.39Å; N992-L994 PolarHBondContact OD1-N 3.01Å; N992-G995 PolarHBondContact N-O 2.98Å; N992-G995 PolarHBondContact O-N 3.47Å |
| 993 | R | 90.1 | Very high | 86.4 | Confident | 163 Ų | 163 | 49.1 Ų | 49.1 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.1 | -177.6 | 91.5 | -165.6 | 160.7 | 115.5 | -12.4 | 114.8 | E830 L945 | E830-R993 IonicContact OE2-CZ 2.72Å; E830-R993 IonicContact OE2-NH2 3.63Å; E830-R993 PolarHBondContact OE2-NH2 3.46Å; L945-R993 HydrophobicContact CD1-CG 3.87Å; L945-R993 VanDerWaalsContact CD2-NE 3.29Å |
| 994 | L | 89.3 | Confident | 86.3 | Confident | 84 Ų | 84 | 47 Ų | 47 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7.8 | 177.6 | -58.8 | 177.5 | 0 | 0 | 0 | 112.5 | L914 I916 L945 N992 | L914-L994 HydrophobicContact CB-CD1 3.85Å; I916-L994 HydrophobicContact CG2-CB 3.86Å; I916-L994 VanDerWaalsContact CG2-O 3.32Å; I916-L994 WeakPolarHBondContact CG2-O 3.5Å; L945-L994 HydrophobicContact CD1-CD1 3.77Å; L945-L994 HydrophobicContact CD1-CG 3.77Å; N992-L994 PolarHBondContact O-N 3.45Å; N992-L994 VanDerWaalsContact O-N 3.09Å; N992-L994 WeakPolarHBondContact OD1-CB 3.39Å; N992-L994 PolarHBondContact OD1-N 3.01Å |
| 995 | G | 89.7 | Confident | 86.1 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.1 | -157.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | F991 N992 | F991-G995 WeakPolarHBondContact CA-O 3.08Å; N992-G995 PolarHBondContact N-O 2.98Å; N992-G995 PolarHBondContact O-N 3.47Å |
| 996 | T | 89.3 | Confident | 85.9 | Confident | 51 Ų | 51 | 51.5 Ų | 51.5 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.7 | -178 | 177 | 0 | 0 | 0 | 0 | 108.5 | E989 S990 G998 | E989-T996 WeakPolarHBondContact OE2-CB 3.33Å; E989-T996 WeakPolarHBondContact OE2-CG2 3.35Å; E989-T996 PolarHBondContact OE2-OG1 2.79Å; S990-T996 PolarHBondContact O-OG1 3.15Å; T996-G998 PolarHBondContact O-N 2.96Å; T996-G998 WeakPolarHBondContact OG1-CA 3.4Å; T996-G998 PolarHBondContact OG1-N 3.39Å |
| 997 | K | 85 | Confident | 85.7 | Confident | 111 Ų | 111 | 57 Ų | 57 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | trans | -75 | -1.3 | 163.7 | -80.4 | -176.6 | 177.7 | 179.4 | 0 | 112.7 | I916 P917 D918 P919 | I916-K997 HydrophobicContact CD1-CB 4.44Å; I916-K997 HydrophobicContact CD1-CD 4.44Å; I916-K997 HydrophobicContact CD1-CG 3.4Å; I916-K997 HydrophobicContact CG1-CD 4.5Å; I916-K997 HydrophobicContact CG1-CG 3.79Å; P917-K997 WeakPolarHBondContact O-CD 3.3Å; D918-K997 IonicContact OD1-NZ 2.74Å; D918-K997 PolarHBondContact OD1-NZ 2.89Å; P919-K997 HydrophobicContact CG-CB 4.26Å; P919-K997 HydrophobicContact CG-CD 4.36Å | ||
| 998 | G | 78.9 | Confident | 85.5 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | trans | 86.7 | 168.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T996 G1000 | T996-G998 PolarHBondContact O-N 2.96Å; T996-G998 WeakPolarHBondContact OG1-CA 3.4Å; T996-G998 PolarHBondContact OG1-N 3.39Å; G998-G1000 PolarHBondContact O-N 3.03Å | ||
| 999 | I | 71.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 59 Ų | 59 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | trans | -70.3 | 110.3 | 170.2 | -63.4 | 168.5 | 0 | 0 | 0 | 107.2 | R952 E989 | R952-I999 HydrophobicContact CB-CD1 3.64Å; R952-I999 HydrophobicContact CG-CD1 4.11Å; E989-I999 HydrophobicContact CB-CG1 3.7Å; E989-I999 HydrophobicContact CG-CD1 4.44Å; E989-I999 HydrophobicContact CG-CG1 3.78Å | ||
| 1000 | G | 64.1 | Low | 84.4 | Confident | 39 Ų | 39 | 64.2 Ų | 64.2 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | trans | -61.6 | 167 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G998 A1002 | G998-G1000 PolarHBondContact O-N 3.03Å; G1000-A1002 PolarHBondContact O-N 3.47Å | ||
| 1001 | S | 63.2 | Low | 82.6 | Confident | 139 Ų | 139 | 71.5 Ų | 71.5 | 97% | 0.972 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -66.1 | 9.8 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1002 | A | 75 | Confident | 80.7 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 59% | 0.587 | 42% | 0.423 | S | S | * | . | trans | -95.1 | 114.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1000 | G1000-A1002 PolarHBondContact O-N 3.47Š| ||
| 1003 | S | 86.7 | Confident | 78.6 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 51% | 0.51 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.3 | 169.1 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | F986 | F986-S1003 CarbonylContact O-C 3.49Å; F986-S1003 WeakPolarHBondContact O-CA 3.28Å; F986-S1003 WeakPolarHBondContact O-CB 3.43Å |
| 1004 | I | 90.6 | Very high | 76 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 24% | 0.236 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.6 | 175.2 | -168 | 162.7 | 0 | 0 | 0 | 110.8 | L923 V925 L935 S985 F986 | L923-I1004 HydrophobicContact CD2-CG2 3.82Å; L923-I1004 HydrophobicContact CG-CG2 3.8Å; V925-I1004 HydrophobicContact CG2-CD1 3.96Å; V925-I1004 HydrophobicContact CG2-CG1 4.16Å; V925-I1004 HydrophobicContact CG2-CG2 4.14Å; L935-I1004 HydrophobicContact CD2-CG2 4.33Å; S985-I1004 CarbonylContact C-O 3.55Å; S985-I1004 WeakPolarHBondContact CA-O 3.35Å; F986-I1004 HydrophobicContact CB-CG2 4.09Å; F986-I1004 PolarHBondContact N-O 2.83Å; F986-I1004 PolarHBondContact O-N 2.94Å |
| 1005 | E | 91.4 | Very high | 73.1 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.8 | 174.8 | -64 | -170.1 | 176.3 | 0 | 0 | 111.9 | Q956 K983 Y984 | Q956-E1005 PolarHBondContact NE2-OE1 2.9Å; K983-E1005 IonicContact NZ-OE2 2.94Å; Y984-E1005 CarbonylContact O-C 3.46Å; Y984-E1005 VanDerWaalsContact O-CA 3.32Å; Y984-E1005 WeakPolarHBondContact O-CA 3.33Å |
| 1006 | A | 89.1 | Confident | 70.2 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 8% | 0.083 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 144.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V925 V928 V933 Y984 F986 | V925-A1006 HydrophobicContact CG1-CB 4.19Å; V925-A1006 HydrophobicContact CG2-CB 3.87Å; V928-A1006 HydrophobicContact CG2-CB 4.29Å; V933-A1006 HydrophobicContact CG1-CB 4.02Å; V933-A1006 HydrophobicContact CG2-CB 4.06Å; Y984-A1006 PolarHBondContact N-O 3.04Å; Y984-A1006 PolarHBondContact O-N 3.14Å; F986-A1006 HydrophobicContact CE2-CB 4.09Å |
| 1007 | K | 90.7 | Very high | 67.3 | Low | 116 Ų | 116 | 84.1 Ų | 84.1 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.5 | 175.4 | -167.1 | -175.4 | -177.7 | -174.5 | 0 | 109.7 | V928 L981 K983 | V928-K1007 VanDerWaalsContact CG1-O 3.31Å; V928-K1007 WeakPolarHBondContact CG1-O 3.24Å; L981-K1007 WeakPolarHBondContact O-CE 3.34Å; K983-K1007 HydrophobicContact CG-CB 3.91Å; K983-K1007 HydrophobicContact CG-CD 4.16Å; K983-K1007 HydrophobicContact CG-CG 3.84Å |
| 1008 | T | 88.4 | Confident | 64.8 | Low | 2 Ų | 2 | 84.3 Ų | 84.3 | 1% | 0.012 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -60 | 149.2 | 175.3 | 45.7 | 0 | 0 | 0 | 0 | 111.7 | S929 V933 L978 S979 P980 L981 T982 Y984 | S929-T1008 WeakPolarHBondContact O-CA 3.32Å; S929-T1008 WeakPolarHBondContact O-CB 3.45Å; V933-T1008 HydrophobicContact CG2-CG2 4.29Å; L978-T1008 HydrophobicContact CB-CG2 3.83Å; L978-T1008 HydrophobicContact CD1-CG2 4.14Å; S979-T1008 PolarHBondContact O-OG1 3.46Å; P980-T1008 WeakPolarHBondContact CA-OG1 3.32Å; L981-T1008 WeakPolarHBondContact CA-O 3.28Å; L981-T1008 PolarHBondContact N-O 3.39Å; L981-T1008 PolarHBondContact N-OG1 2.86Å; T982-T1008 PolarHBondContact N-OG1 2.68Å; T982-T1008 VanDerWaalsContact N-OG1 3.15Å; T982-T1008 PolarHBondContact O-N 3.42Å; T982-T1008 PolarHBondContact O-OG1 2.77Å; Y984-T1008 HydrophobicContact CE2-CG2 4.5Å |
| 1009 | T | 83.9 | Confident | 62.4 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 34% | 0.344 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 166 | -174.2 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | V928 S929 Q930 | V928-T1009 HydrophobicContact CG1-CG2 4.41Å; S929-T1009 PolarHBondContact O-N 2.84Å; Q930-T1009 WeakPolarHBondContact CA-OG1 3.14Å; Q930-T1009 PolarHBondContact N-OG1 2.78Å |
| 1010 | H | 77 | Confident | 60.2 | Low | 125 Ų | 125 | 94.1 Ų | 94.1 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 150.4 | 165 | -82.1 | -87 | 0 | 0 | 0 | 110.4 | L981 T1012 | L981-H1010 VanDerWaalsContact CD1-CE1 3.44Å; L981-H1010 WeakPolarHBondContact CD1-CE1 3.31Å; L981-H1010 HydrophobicContact CD2-CB 4.33Å; L981-H1010 WeakPolarHBondContact CD2-CD2 3.42Å; L981-H1010 WeakPolarHBondContact CD2-NE2 3.16Å; H1010-T1012 PolarHBondContact O-N 2.87Å; H1010-T1012 VanDerWaalsContact O-N 3.11Å |
| 1011 | M | 54.7 | Low | 58.7 | Low | 156 Ų | 156 | 101 Ų | 101 | 77% | 0.768 | 61% | 0.606 | S | S | * | * | trans | -75.7 | 94.8 | 169.6 | -160.5 | 165.6 | -167.4 | 0 | 0 | 108.4 | S1013 | M1011-S1013 PolarHBondContact O-N 2.67Š| ||
| 1012 | T | 53.9 | Low | 57.1 | Low | 98 Ų | 98 | 102 Ų | 102 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | trans | -79 | 109.8 | -170.9 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | H1010 N1014 | H1010-T1012 PolarHBondContact O-N 2.87Å; H1010-T1012 VanDerWaalsContact O-N 3.11Å; T1012-N1014 PolarHBondContact O-N 2.99Å | ||
| 1013 | S | 48.3 | Very low | 55 | Low | 99 Ų | 99 | 104.1 Ų | 104.1 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | trans | -69 | 113 | 153.6 | 54.6 | 0 | 0 | 0 | 0 | 108.2 | M1011 S1015 | M1011-S1013 PolarHBondContact O-N 2.67Å; S1013-S1015 VanDerWaalsContact C-N 3.31Å; S1013-S1015 PolarHBondContact O-N 3.33Å | ||
| 1014 | N | 34.6 | Very low | 52.3 | Low | 157 Ų | 157 | 107.6 Ų | 107.6 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | trans | -71.3 | 85.2 | -178.6 | -96.4 | 1.5 | 0 | 0 | 0 | 111.8 | T1012 G1016 | T1012-N1014 PolarHBondContact O-N 2.99Å; N1014-G1016 VanDerWaalsContact C-N 3.35Å; N1014-G1016 PolarHBondContact O-N 3.3Å | ||
| 1015 | S | 29.3 | Very low | 49.7 | Very low | 108 Ų | 108 | 113 Ų | 113 | 76% | 0.755 | 64% | 0.636 | S | S | * | * | trans | -91.6 | 67.2 | 169.6 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | S1013 A1017 | S1013-S1015 VanDerWaalsContact C-N 3.31Å; S1013-S1015 PolarHBondContact O-N 3.33Å; S1015-A1017 PolarHBondContact O-N 2.83Å | ||
| 1016 | G | 28.6 | Very low | 47.3 | Very low | 66 Ų | 66 | 113.1 Ų | 113.1 | 68% | 0.68 | 64% | 0.64 | S | S | * | * | trans | -80.5 | 106.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1014 V1018 | N1014-G1016 VanDerWaalsContact C-N 3.35Å; N1014-G1016 PolarHBondContact O-N 3.3Å; G1016-V1018 PolarHBondContact O-N 2.79Å | ||
| 1017 | A | 29.3 | Very low | 45.2 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 90% | 0.901 | 66% | 0.661 | S | S | * | * | trans | -69.2 | 87 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1015 | S1015-A1017 PolarHBondContact O-N 2.83Š| ||
| 1018 | V | 30.6 | Very low | 43.6 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 70% | 0.697 | 66% | 0.659 | S | S | * | * | trans | -87 | 130.9 | 158.5 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | G1016 Q1020 | G1016-V1018 PolarHBondContact O-N 2.79Å; V1018-Q1020 HydrophobicContact CG1-CG 4.24Å; V1018-Q1020 PolarHBondContact O-N 2.77Å | ||
| 1019 | S | 28.6 | Very low | 42.5 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 85% | 0.846 | 69% | 0.692 | S | S | * | * | trans | -71.1 | 68.4 | 174.9 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | Q1021 | S1019-Q1021 PolarHBondContact O-N 2.93Š| ||
| 1020 | Q | 27.3 | Very low | 41.8 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | trans | -76 | 117.4 | 163.6 | -75.8 | -177 | -34.3 | 0 | 0 | 108.1 | V1018 N1022 | V1018-Q1020 HydrophobicContact CG1-CG 4.24Å; V1018-Q1020 PolarHBondContact O-N 2.77Å; Q1020-N1022 PolarHBondContact O-N 2.59Å | ||
| 1021 | Q | 30.9 | Very low | 41.3 | Very low | 183 Ų | 183 | 121.2 Ų | 121.2 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | trans | -55.3 | 132.2 | 167.4 | -71.7 | 170.1 | -45 | 0 | 0 | 108.3 | S1019 V1023 | S1019-Q1021 PolarHBondContact O-N 2.93Å; Q1021-V1023 PolarHBondContact O-N 1.98Å | ||
| 1022 | N | 29.3 | Very low | 42 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | trans | -68.1 | 78.1 | 179.3 | -71.8 | -48.5 | 0 | 0 | 0 | 111 | Q1020 K1024 | Q1020-N1022 PolarHBondContact O-N 2.59Å; N1022-K1024 PolarHBondContact O-N 3.25Å | ||
| 1023 | V | 30.8 | Very low | 43 | Very low | 116 Ų | 116 | 117 Ų | 117 | 70% | 0.703 | 68% | 0.676 | S | S | * | * | trans | -75.4 | 78.6 | 151.2 | -176.1 | 0 | 0 | 0 | 0 | 105.7 | Q1021 E1025 | Q1021-V1023 PolarHBondContact O-N 1.98Å; V1023-E1025 HydrophobicContact CG1-CG 4.14Å; V1023-E1025 PolarHBondContact O-N 2.49Å | ||
| 1024 | K | 31.5 | Very low | 44.3 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | trans | -75.1 | 75 | 173.5 | -170.4 | 171.5 | -176.2 | -70.7 | 0 | 107.4 | N1022 D1026 | N1022-K1024 PolarHBondContact O-N 3.25Å; K1024-D1026 IonicContact NZ-OD1 2.73Å; K1024-D1026 PolarHBondContact NZ-OD1 3.25Å; K1024-D1026 IonicContact NZ-OD2 3.34Å; K1024-D1026 PolarHBondContact NZ-OD2 2.78Å; K1024-D1026 PolarHBondContact O-N 2.73Å | ||
| 1025 | E | 35.6 | Very low | 46.4 | Very low | 158 Ų | 158 | 114.2 Ų | 114.2 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | trans | -64.1 | 85.2 | 158.6 | -84.4 | 176.8 | -165.1 | 0 | 0 | 107 | V1023 I1027 | V1023-E1025 HydrophobicContact CG1-CG 4.14Å; V1023-E1025 PolarHBondContact O-N 2.49Å; E1025-I1027 PolarHBondContact O-N 3.09Å | ||
| 1026 | D | 40.3 | Very low | 48.7 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 57% | 0.572 | 65% | 0.645 | S | S | * | * | trans | -61.9 | 81.4 | 157.8 | -77.1 | -40 | 0 | 0 | 0 | 106.9 | K1024 P1028 | K1024-D1026 IonicContact NZ-OD1 2.73Å; K1024-D1026 PolarHBondContact NZ-OD1 3.25Å; K1024-D1026 IonicContact NZ-OD2 3.34Å; K1024-D1026 PolarHBondContact NZ-OD2 2.78Å; K1024-D1026 PolarHBondContact O-N 2.73Å; D1026-P1028 WeakPolarHBondContact O-CD 3.41Å | ||
| 1027 | I | 45.5 | Very low | 51.3 | Low | 103 Ų | 103 | 114 Ų | 114 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | trans | -51 | 110.9 | 160.2 | -62.3 | 175.1 | 0 | 0 | 0 | 103.9 | E1025 V1029 V1031 I1032 | E1025-I1027 PolarHBondContact O-N 3.09Å; I1027-V1029 PolarHBondContact O-N 2.65Å; I1027-V1031 HydrophobicContact CG2-CB 4.28Å; I1027-V1031 HydrophobicContact CG2-CG1 4.48Å; I1027-I1032 HydrophobicContact CG2-CD1 4.45Å; I1027-I1032 HydrophobicContact CG2-CG1 4.16Å | ||
| 1028 | P | 57 | Low | 53.9 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | trans | -57.8 | 136.7 | -169.6 | -25.5 | 33.8 | 0 | 0 | 0 | 108.2 | D1026 L1030 V1031 I1032 | D1026-P1028 WeakPolarHBondContact O-CD 3.41Å; P1028-L1030 HydrophobicContact CB-CB 3.98Å; P1028-L1030 PolarHBondContact O-N 3.3Å; P1028-V1031 HydrophobicContact CB-CG2 4.19Å; P1028-V1031 HydrophobicContact CG-CG2 4.08Å; P1028-V1031 PolarHBondContact O-N 2.79Å; P1028-I1032 PolarHBondContact O-N 2.65Å | ||
| 1029 | V | 66.3 | Low | 56.4 | Low | 115 Ų | 115 | 108.8 Ų | 108.8 | 70% | 0.697 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -51.4 | -30.9 | 172.2 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | I1027 V1031 I1032 V1033 | I1027-V1029 PolarHBondContact O-N 2.65Å; V1029-V1031 PolarHBondContact O-N 2.79Å; V1029-I1032 PolarHBondContact O-N 3.01Å; V1029-V1033 HydrophobicContact CG1-CG2 4.01Å; V1029-V1033 VanDerWaalsContact O-CB 3.26Å; V1029-V1033 WeakPolarHBondContact O-CB 3.11Å; V1029-V1033 WeakPolarHBondContact O-CG2 3.39Å; V1029-V1033 PolarHBondContact O-N 3.24Å |
| 1030 | L | 69.1 | Low | 59.2 | Low | 123 Ų | 123 | 107.4 Ų | 107.4 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -51.7 | -40.7 | 168.9 | -158.6 | 80.6 | 0 | 0 | 0 | 114.9 | P1028 L1034 | P1028-L1030 HydrophobicContact CB-CB 3.98Å; P1028-L1030 PolarHBondContact O-N 3.3Å; L1030-L1034 HydrophobicContact CG-CD1 4.3Å; L1030-L1034 VanDerWaalsContact O-CB 3.23Å; L1030-L1034 WeakPolarHBondContact O-CB 3.38Å; L1030-L1034 WeakPolarHBondContact O-CG 3.34Å; L1030-L1034 PolarHBondContact O-N 2.89Å |
| 1031 | V | 65.1 | Low | 62.1 | Low | 68 Ų | 68 | 103.5 Ų | 103.5 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.2 | -43.6 | -179.6 | 176.7 | 0 | 0 | 0 | 0 | 111 | I1027 P1028 V1029 V1033 L1034 V1035 | I1027-V1031 HydrophobicContact CG2-CB 4.28Å; I1027-V1031 HydrophobicContact CG2-CG1 4.48Å; P1028-V1031 HydrophobicContact CB-CG2 4.19Å; P1028-V1031 HydrophobicContact CG-CG2 4.08Å; P1028-V1031 PolarHBondContact O-N 2.79Å; V1029-V1031 PolarHBondContact O-N 2.79Å; V1031-V1033 VanDerWaalsContact C-N 3.34Å; V1031-L1034 PolarHBondContact O-N 2.66Å; V1031-V1035 WeakPolarHBondContact O-CG2 3.25Å; V1031-V1035 PolarHBondContact O-N 3.11Å |
| 1032 | I | 69.2 | Low | 64.7 | Low | 99 Ų | 99 | 99.4 Ų | 99.4 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -44.9 | 174.6 | -60.4 | 176.1 | 0 | 0 | 0 | 109.5 | I1027 P1028 V1029 L1034 V1035 C1036 | I1027-I1032 HydrophobicContact CG2-CD1 4.45Å; I1027-I1032 HydrophobicContact CG2-CG1 4.16Å; P1028-I1032 PolarHBondContact O-N 2.65Å; V1029-I1032 PolarHBondContact O-N 3.01Å; I1032-L1034 PolarHBondContact O-N 2.88Å; I1032-V1035 PolarHBondContact O-N 3.34Å; I1032-C1036 WeakPolarHBondContact O-CB 3.32Å; I1032-C1036 PolarHBondContact O-N 3.04Å; I1032-C1036 PolarHBondContact O-SG 2.93Å; I1032-C1036 VanDerWaalsContact O-SG 3.33Å |
| 1033 | V | 76.5 | Confident | 67.4 | Low | 68 Ų | 68 | 97.9 Ų | 97.9 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.7 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | V1029 V1031 C1036 L1037 | V1029-V1033 HydrophobicContact CG1-CG2 4.01Å; V1029-V1033 VanDerWaalsContact O-CB 3.26Å; V1029-V1033 WeakPolarHBondContact O-CB 3.11Å; V1029-V1033 WeakPolarHBondContact O-CG2 3.39Å; V1029-V1033 PolarHBondContact O-N 3.24Å; V1031-V1033 VanDerWaalsContact C-N 3.34Å; V1033-C1036 PolarHBondContact O-N 2.9Å; V1033-L1037 HydrophobicContact CG1-CD1 3.69Å; V1033-L1037 HydrophobicContact CG1-CG 4.17Å; V1033-L1037 VanDerWaalsContact O-CB 3.25Å; V1033-L1037 WeakPolarHBondContact O-CB 3.45Å; V1033-L1037 WeakPolarHBondContact O-CG 3.41Å; V1033-L1037 PolarHBondContact O-N 3.26Å |
| 1034 | L | 74.6 | Confident | 70.1 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.7 | -92.1 | 161.2 | 0 | 0 | 0 | 112.2 | L1030 V1031 I1032 C1036 L1037 V1038 | L1030-L1034 HydrophobicContact CG-CD1 4.3Å; L1030-L1034 VanDerWaalsContact O-CB 3.23Å; L1030-L1034 WeakPolarHBondContact O-CB 3.38Å; L1030-L1034 WeakPolarHBondContact O-CG 3.34Å; L1030-L1034 PolarHBondContact O-N 2.89Å; V1031-L1034 PolarHBondContact O-N 2.66Å; I1032-L1034 PolarHBondContact O-N 2.88Å; L1034-C1036 VanDerWaalsContact C-N 3.34Å; L1034-C1036 PolarHBondContact O-N 3Å; L1034-L1037 PolarHBondContact O-N 2.94Å; L1034-V1038 WeakPolarHBondContact O-CB 3.05Å; L1034-V1038 VanDerWaalsContact O-CG2 3.3Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; L1034-V1038 PolarHBondContact O-N 3.19Å |
| 1035 | V | 78.7 | Confident | 72.7 | Confident | 102 Ų | 102 | 92.4 Ų | 92.4 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | V1031 I1032 G1039 | V1031-V1035 WeakPolarHBondContact O-CG2 3.25Å; V1031-V1035 PolarHBondContact O-N 3.11Å; I1032-V1035 PolarHBondContact O-N 3.34Å; V1035-G1039 PolarHBondContact O-N 2.96Å |
| 1036 | C | 78.2 | Confident | 74.9 | Confident | 75 Ų | 75 | 89.5 Ų | 89.5 | 51% | 0.507 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 173.9 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | I1032 V1033 L1034 G1039 V1040 | I1032-C1036 WeakPolarHBondContact O-CB 3.32Å; I1032-C1036 PolarHBondContact O-N 3.04Å; I1032-C1036 PolarHBondContact O-SG 2.93Å; I1032-C1036 VanDerWaalsContact O-SG 3.33Å; V1033-C1036 PolarHBondContact O-N 2.9Å; L1034-C1036 VanDerWaalsContact C-N 3.34Å; L1034-C1036 PolarHBondContact O-N 3Å; C1036-G1039 PolarHBondContact O-N 2.72Å; C1036-V1040 VanDerWaalsContact O-CG2 3.31Å; C1036-V1040 WeakPolarHBondContact O-CG2 3.19Å; C1036-V1040 PolarHBondContact O-N 3.11Å |
| 1037 | L | 82.6 | Confident | 77.1 | Confident | 96 Ų | 96 | 86.8 Ų | 86.8 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 177.1 | -78 | 170.9 | 0 | 0 | 0 | 111.5 | V1033 L1034 G1039 V1040 V1041 | V1033-L1037 HydrophobicContact CG1-CD1 3.69Å; V1033-L1037 HydrophobicContact CG1-CG 4.17Å; V1033-L1037 VanDerWaalsContact O-CB 3.25Å; V1033-L1037 WeakPolarHBondContact O-CB 3.45Å; V1033-L1037 WeakPolarHBondContact O-CG 3.41Å; V1033-L1037 PolarHBondContact O-N 3.26Å; L1034-L1037 PolarHBondContact O-N 2.94Å; L1037-G1039 VanDerWaalsContact C-N 3.33Å; L1037-G1039 PolarHBondContact O-N 2.86Å; L1037-V1040 PolarHBondContact O-N 2.91Å; L1037-V1041 WeakPolarHBondContact O-CB 3.25Å; L1037-V1041 VanDerWaalsContact O-CG2 3.28Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.26Å; L1037-V1041 PolarHBondContact O-N 3.06Å |
| 1038 | V | 84.8 | Confident | 79.2 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | L1034 V1040 V1041 L1042 | L1034-V1038 WeakPolarHBondContact O-CB 3.05Å; L1034-V1038 VanDerWaalsContact O-CG2 3.3Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; L1034-V1038 PolarHBondContact O-N 3.19Å; V1038-V1040 PolarHBondContact O-N 2.73Å; V1038-V1041 PolarHBondContact O-N 3.16Å; V1038-L1042 HydrophobicContact CG1-CD1 3.94Å; V1038-L1042 HydrophobicContact CG1-CG 4.46Å; V1038-L1042 WeakPolarHBondContact O-CB 3.38Å; V1038-L1042 VanDerWaalsContact O-CG 3.29Å; V1038-L1042 WeakPolarHBondContact O-CG 3.45Å; V1038-L1042 PolarHBondContact O-N 2.87Å |
| 1039 | G | 82.6 | Confident | 80.5 | Confident | 31 Ų | 31 | 87.5 Ų | 87.5 | 32% | 0.32 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1035 C1036 L1037 L1042 L1043 | V1035-G1039 PolarHBondContact O-N 2.96Å; C1036-G1039 PolarHBondContact O-N 2.72Å; L1037-G1039 VanDerWaalsContact C-N 3.33Å; L1037-G1039 PolarHBondContact O-N 2.86Å; G1039-L1042 PolarHBondContact O-N 2.9Å; G1039-L1043 WeakPolarHBondContact O-CB 3.47Å; G1039-L1043 WeakPolarHBondContact O-CG 3.19Å; G1039-L1043 PolarHBondContact O-N 2.8Å |
| 1040 | V | 88.3 | Confident | 81.4 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -41.6 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | C1036 L1037 V1038 L1043 A1044 | C1036-V1040 VanDerWaalsContact O-CG2 3.31Å; C1036-V1040 WeakPolarHBondContact O-CG2 3.19Å; C1036-V1040 PolarHBondContact O-N 3.11Å; L1037-V1040 PolarHBondContact O-N 2.91Å; V1038-V1040 PolarHBondContact O-N 2.73Å; V1040-L1043 PolarHBondContact O-N 2.92Å; V1040-A1044 WeakPolarHBondContact O-CB 2.99Å; V1040-A1044 PolarHBondContact O-N 3.36Å |
| 1041 | V | 87.7 | Confident | 82.1 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.4 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | L1037 V1038 A1044 L1045 | L1037-V1041 WeakPolarHBondContact O-CB 3.25Å; L1037-V1041 VanDerWaalsContact O-CG2 3.28Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.26Å; L1037-V1041 PolarHBondContact O-N 3.06Å; V1038-V1041 PolarHBondContact O-N 3.16Å; V1041-A1044 PolarHBondContact O-N 2.99Å; V1041-L1045 WeakPolarHBondContact O-CB 3.4Å; V1041-L1045 PolarHBondContact O-N 2.99Å |
| 1042 | L | 84.5 | Confident | 82.9 | Confident | 97 Ų | 97 | 86 Ų | 86 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 176.4 | -72 | 170.3 | 0 | 0 | 0 | 112.4 | V1038 G1039 N1046 | V1038-L1042 HydrophobicContact CG1-CD1 3.94Å; V1038-L1042 HydrophobicContact CG1-CG 4.46Å; V1038-L1042 WeakPolarHBondContact O-CB 3.38Å; V1038-L1042 VanDerWaalsContact O-CG 3.29Å; V1038-L1042 WeakPolarHBondContact O-CG 3.45Å; V1038-L1042 PolarHBondContact O-N 2.87Å; G1039-L1042 PolarHBondContact O-N 2.9Å; L1042-N1046 WeakPolarHBondContact O-CB 3.37Å; L1042-N1046 PolarHBondContact O-N 2.76Å; L1042-N1046 PolarHBondContact O-ND2 2.81Å; L1042-N1046 VanDerWaalsContact O-ND2 3.17Å |
| 1043 | L | 86.5 | Confident | 83.3 | Confident | 127 Ų | 127 | 88.7 Ų | 88.7 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 173.4 | -77.2 | 166.5 | 0 | 0 | 0 | 112 | G1039 V1040 N1046 A1047 | G1039-L1043 WeakPolarHBondContact O-CB 3.47Å; G1039-L1043 WeakPolarHBondContact O-CG 3.19Å; G1039-L1043 PolarHBondContact O-N 2.8Å; V1040-L1043 PolarHBondContact O-N 2.92Å; L1043-N1046 PolarHBondContact O-N 3.43Å; L1043-A1047 WeakPolarHBondContact O-CB 3.27Å; L1043-A1047 PolarHBondContact O-N 3.1Å |
| 1044 | A | 86.7 | Confident | 83.4 | Confident | 51 Ų | 51 | 89.6 Ų | 89.6 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1040 V1041 N1046 A1047 V1048 | V1040-A1044 WeakPolarHBondContact O-CB 2.99Å; V1040-A1044 PolarHBondContact O-N 3.36Å; V1041-A1044 PolarHBondContact O-N 2.99Å; A1044-N1046 PolarHBondContact O-N 3.41Å; A1044-A1047 PolarHBondContact O-N 2.97Å; A1044-V1048 WeakPolarHBondContact O-CG2 3.36Å; A1044-V1048 PolarHBondContact O-N 3.4Å |
| 1045 | L | 86.7 | Confident | 83.5 | Confident | 97 Ų | 97 | 94.1 Ų | 94.1 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.5 | -110.7 | 163.3 | 0 | 0 | 0 | 111.7 | V1041 A1047 V1048 L1049 | V1041-L1045 WeakPolarHBondContact O-CB 3.4Å; V1041-L1045 PolarHBondContact O-N 2.99Å; L1045-A1047 PolarHBondContact O-N 3.3Å; L1045-V1048 PolarHBondContact O-N 2.93Å; L1045-L1049 WeakPolarHBondContact O-CG 3.43Å; L1045-L1049 PolarHBondContact O-N 2.85Å |
| 1046 | N | 82.2 | Confident | 83.3 | Confident | 98 Ų | 98 | 97.3 Ų | 97.3 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175 | -78.5 | -37.5 | 0 | 0 | 0 | 112 | L1042 L1043 A1044 L1049 V1050 | L1042-N1046 WeakPolarHBondContact O-CB 3.37Å; L1042-N1046 PolarHBondContact O-N 2.76Å; L1042-N1046 PolarHBondContact O-ND2 2.81Å; L1042-N1046 VanDerWaalsContact O-ND2 3.17Å; L1043-N1046 PolarHBondContact O-N 3.43Å; A1044-N1046 PolarHBondContact O-N 3.41Å; N1046-L1049 PolarHBondContact O-N 2.83Å; N1046-V1050 WeakPolarHBondContact O-CG2 3.37Å; N1046-V1050 PolarHBondContact O-N 2.84Å |
| 1047 | A | 86.7 | Confident | 82.9 | Confident | 50 Ų | 50 | 99.3 Ų | 99.3 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1043 A1044 L1045 V1050 L1051 | L1043-A1047 WeakPolarHBondContact O-CB 3.27Å; L1043-A1047 PolarHBondContact O-N 3.1Å; A1044-A1047 PolarHBondContact O-N 2.97Å; L1045-A1047 PolarHBondContact O-N 3.3Å; A1047-V1050 PolarHBondContact O-N 2.89Å; A1047-L1051 WeakPolarHBondContact O-CB 3.48Å; A1047-L1051 VanDerWaalsContact O-CG 3.31Å; A1047-L1051 WeakPolarHBondContact O-CG 3.43Å; A1047-L1051 PolarHBondContact O-N 2.73Å |
| 1048 | V | 88.6 | Confident | 81.9 | Confident | 84 Ų | 84 | 103.6 Ų | 103.6 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | A1044 L1045 V1050 L1051 C1052 | A1044-V1048 WeakPolarHBondContact O-CG2 3.36Å; A1044-V1048 PolarHBondContact O-N 3.4Å; L1045-V1048 PolarHBondContact O-N 2.93Å; V1048-V1050 PolarHBondContact O-N 3.13Å; V1048-L1051 PolarHBondContact O-N 3.07Å; V1048-C1052 WeakPolarHBondContact O-CB 2.99Å; V1048-C1052 PolarHBondContact O-N 2.79Å; V1048-C1052 PolarHBondContact O-SG 3.11Å |
| 1049 | L | 84.6 | Confident | 80.7 | Confident | 104 Ų | 104 | 104.4 Ų | 104.4 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.4 | -74.6 | 170.2 | 0 | 0 | 0 | 111.6 | L1045 N1046 C1052 F1053 | L1045-L1049 WeakPolarHBondContact O-CG 3.43Å; L1045-L1049 PolarHBondContact O-N 2.85Å; N1046-L1049 PolarHBondContact O-N 2.83Å; L1049-C1052 PolarHBondContact O-N 2.81Å; L1049-F1053 PolarHBondContact O-N 3.13Å |
| 1050 | V | 86.3 | Confident | 79.3 | Confident | 86 Ų | 86 | 112.5 Ų | 112.5 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -46.1 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | N1046 A1047 V1048 C1052 F1053 I1054 | N1046-V1050 WeakPolarHBondContact O-CG2 3.37Å; N1046-V1050 PolarHBondContact O-N 2.84Å; A1047-V1050 PolarHBondContact O-N 2.89Å; V1048-V1050 PolarHBondContact O-N 3.13Å; V1050-C1052 PolarHBondContact O-N 2.77Å; V1050-F1053 WeakPolarHBondContact O-CB 3.49Å; V1050-F1053 PolarHBondContact O-N 2.94Å; V1050-I1054 HydrophobicContact CG1-CD1 3.82Å; V1050-I1054 WeakPolarHBondContact O-CG1 3.2Å; V1050-I1054 PolarHBondContact O-N 3.13Å |
| 1051 | L | 83.1 | Confident | 77.5 | Confident | 112 Ų | 112 | 116.2 Ų | 116.2 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | 177.4 | -75 | 168.7 | 0 | 0 | 0 | 112.4 | A1047 V1048 F1053 I1054 R1055 | A1047-L1051 WeakPolarHBondContact O-CB 3.48Å; A1047-L1051 VanDerWaalsContact O-CG 3.31Å; A1047-L1051 WeakPolarHBondContact O-CG 3.43Å; A1047-L1051 PolarHBondContact O-N 2.73Å; V1048-L1051 PolarHBondContact O-N 3.07Å; L1051-F1053 VanDerWaalsContact C-N 3.34Å; L1051-I1054 PolarHBondContact O-N 2.77Å; L1051-R1055 VanDerWaalsContact O-CB 3.32Å; L1051-R1055 WeakPolarHBondContact O-CB 3.34Å; L1051-R1055 PolarHBondContact O-N 2.74Å |
| 1052 | C | 81.5 | Confident | 75.5 | Confident | 75 Ų | 75 | 119.2 Ų | 119.2 | 51% | 0.507 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.1 | -40.6 | 173.2 | -78.9 | 0 | 0 | 0 | 0 | 111.9 | V1048 L1049 V1050 R1055 R1056 | V1048-C1052 WeakPolarHBondContact O-CB 2.99Å; V1048-C1052 PolarHBondContact O-N 2.79Å; V1048-C1052 PolarHBondContact O-SG 3.11Å; L1049-C1052 PolarHBondContact O-N 2.81Å; V1050-C1052 PolarHBondContact O-N 2.77Å; C1052-R1055 PolarHBondContact O-N 2.84Å; C1052-R1056 VanDerWaalsContact O-CB 3.26Å; C1052-R1056 WeakPolarHBondContact O-CB 3.04Å; C1052-R1056 PolarHBondContact O-N 3.17Å |
| 1053 | F | 77.1 | Confident | 73.5 | Confident | 156 Ų | 156 | 123.3 Ų | 123.3 | 68% | 0.684 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.7 | -46.6 | 175.8 | -138.3 | -87.1 | 0 | 0 | 0 | 111.7 | L1049 V1050 L1051 R1056 H1057 | L1049-F1053 PolarHBondContact O-N 3.13Å; V1050-F1053 WeakPolarHBondContact O-CB 3.49Å; V1050-F1053 PolarHBondContact O-N 2.94Å; L1051-F1053 VanDerWaalsContact C-N 3.34Å; F1053-R1056 PolarHBondContact O-N 3.33Å; F1053-H1057 WeakPolarHBondContact O-CB 3.5Å; F1053-H1057 PolarHBondContact O-N 2.82Å |
| 1054 | I | 80.4 | Confident | 71 | Confident | 87 Ų | 87 | 121 Ų | 121 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62 | -45.3 | 176.5 | -65.9 | 164.6 | 0 | 0 | 0 | 110.9 | V1050 L1051 H1057 R1058 | V1050-I1054 HydrophobicContact CG1-CD1 3.82Å; V1050-I1054 WeakPolarHBondContact O-CG1 3.2Å; V1050-I1054 PolarHBondContact O-N 3.13Å; L1051-I1054 PolarHBondContact O-N 2.77Å; I1054-H1057 PolarHBondContact O-N 3.36Å; I1054-R1058 WeakPolarHBondContact O-CG 3.48Å; I1054-R1058 PolarHBondContact O-N 3.36Å |
| 1055 | R | 75.6 | Confident | 68.4 | Low | 189 Ų | 189 | 127.8 Ų | 127.8 | 71% | 0.713 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.2 | -42.5 | -179.7 | -165.2 | 172.9 | -173.8 | 166.4 | 0.7 | 111.7 | L1051 C1052 H1057 R1058 N1059 | L1051-R1055 VanDerWaalsContact O-CB 3.32Å; L1051-R1055 WeakPolarHBondContact O-CB 3.34Å; L1051-R1055 PolarHBondContact O-N 2.74Å; C1052-R1055 PolarHBondContact O-N 2.84Å; R1055-H1057 VanDerWaalsContact C-N 3.3Å; R1055-H1057 PolarHBondContact O-N 3.07Å; R1055-R1058 PolarHBondContact O-N 3.04Å; R1055-N1059 PolarHBondContact O-N 3.3Å; R1055-N1059 VanDerWaalsContact O-N 3.08Å |
| 1056 | R | 74.7 | Confident | 65.8 | Low | 169 Ų | 169 | 133.5 Ų | 133.5 | 64% | 0.638 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62 | -36.9 | 173.4 | -171.7 | 176 | -178.3 | -177.7 | 0.9 | 111.8 | C1052 F1053 R1060 | C1052-R1056 VanDerWaalsContact O-CB 3.26Å; C1052-R1056 WeakPolarHBondContact O-CB 3.04Å; C1052-R1056 PolarHBondContact O-N 3.17Å; F1053-R1056 PolarHBondContact O-N 3.33Å; R1056-R1060 PolarHBondContact O-N 3.11Å |
| 1057 | H | 68.8 | Low | 63.3 | Low | 117 Ų | 117 | 136.8 Ų | 136.8 | 54% | 0.542 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -72.1 | -37.1 | 176 | -164 | -47.6 | 0 | 0 | 0 | 112.9 | F1053 I1054 R1055 | F1053-H1057 WeakPolarHBondContact O-CB 3.5Å; F1053-H1057 PolarHBondContact O-N 2.82Å; I1054-H1057 PolarHBondContact O-N 3.36Å; R1055-H1057 VanDerWaalsContact C-N 3.3Å; R1055-H1057 PolarHBondContact O-N 3.07Å |
| 1058 | R | 62.4 | Low | 60.7 | Low | 186 Ų | 186 | 139.4 Ų | 139.4 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.6 | -44.3 | 178.2 | -70.7 | -178.3 | 89.8 | 170.3 | 5.6 | 112.3 | I1054 R1055 R1060 K1061 | I1054-R1058 WeakPolarHBondContact O-CG 3.48Å; I1054-R1058 PolarHBondContact O-N 3.36Å; R1055-R1058 PolarHBondContact O-N 3.04Å; R1058-R1060 VanDerWaalsContact C-N 3.27Å; R1058-R1060 PolarHBondContact O-N 2.72Å; R1058-K1061 PolarHBondContact O-N 3.02Å; R1058-K1061 VanDerWaalsContact O-N 3.1Å |
| 1059 | N | 59.1 | Low | 57.8 | Low | 100 Ų | 100 | 140.4 Ų | 140.4 | 54% | 0.535 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -61 | -34.7 | 178.8 | -81.5 | 9.8 | 0 | 0 | 0 | 112.7 | R1055 K1061 L1062 | R1055-N1059 PolarHBondContact O-N 3.3Å; R1055-N1059 VanDerWaalsContact O-N 3.08Å; N1059-K1061 PolarHBondContact O-N 2.86Å; N1059-K1061 VanDerWaalsContact O-N 3.12Å; N1059-L1062 PolarHBondContact O-N 2.84Å |
| 1060 | R | 53.5 | Low | 55.1 | Low | 200 Ų | 200 | 140.6 Ų | 140.6 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -16.2 | 176.2 | -84 | -177.4 | 166.1 | -175.2 | -5.1 | 115.1 | R1056 R1058 | R1056-R1060 PolarHBondContact O-N 3.11Å; R1058-R1060 VanDerWaalsContact C-N 3.27Å; R1058-R1060 PolarHBondContact O-N 2.72Å |
| 1061 | K | 50.4 | Low | 52.3 | Low | 172 Ų | 172 | 142.6 Ų | 142.6 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -13.2 | 177.8 | -84.2 | -167.8 | 172.2 | -174.8 | 0 | 115.1 | R1058 N1059 | R1058-K1061 PolarHBondContact O-N 3.02Å; R1058-K1061 VanDerWaalsContact O-N 3.1Å; N1059-K1061 PolarHBondContact O-N 2.86Å; N1059-K1061 VanDerWaalsContact O-N 3.12Å |
| 1062 | L | 47.3 | Very low | 49.6 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -14.6 | -165.9 | -80.7 | 164.3 | 0 | 0 | 0 | 116.2 | N1059 | N1059-L1062 PolarHBondContact O-N 2.84Š|
| 1063 | Q | 41.1 | Very low | 47 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -105.1 | 22.4 | -174.4 | -71.7 | 178.8 | -41.8 | 0 | 0 | 114.6 | K1065 | Q1063-K1065 PolarHBondContact O-N 3.1Š| ||
| 1064 | G | 33.9 | Very low | 44.5 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -85.8 | 17.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1065 | K | 32.2 | Very low | 41.7 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -140.8 | 96.6 | -178.7 | -83.9 | -173.7 | 172.2 | -177.2 | 0 | 111.9 | Q1063 | Q1063-K1065 PolarHBondContact O-N 3.1Š| ||
| 1066 | Y | 32.5 | Very low | 39.3 | Very low | 218 Ų | 218 | 145.4 Ų | 145.4 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | 160.3 | 138.1 | 141.3 | -111.1 | -105.7 | 0 | 0 | 0 | 109.2 | ||||
| 1067 | N | 29.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | trans | -149.2 | 115.2 | 176.5 | -116.2 | 6.9 | 0 | 0 | 0 | 110.5 | ||||
| 1068 | P | 32.6 | Very low | 35.2 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -128.9 | 130.8 | 162.3 | 30.4 | -13.2 | 0 | 0 | 0 | 114 | ||||
| 1069 | S | 28.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 35.1 | 129.7 | 146.1 | 55 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1070 | S | 26.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 101 | 121.3 | 135.5 | 73.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1071 | T | 28.6 | Very low | 31.4 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 69.5 | 110.8 | 144.1 | 32.5 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1072 | S | 26.5 | Very low | 30.2 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 64 | 78.9 | 129.1 | 67.6 | 0 | 0 | 0 | 0 | 123 | |||||
| 1073 | H | 25.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | -175.3 | 144.1 | 114.9 | -118.8 | -89.4 | 0 | 0 | 0 | 109.6 | |||||
| 1074 | L | 25 | Very low | 28.5 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 41.1 | 103.5 | 172.5 | -111 | 63.5 | 0 | 0 | 0 | 116.2 | ||||
| 1075 | S | 21.8 | Very low | 28.1 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | 46.3 | 120.7 | 64.6 | 92.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1076 | E | 25.4 | Very low | 28 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -148.6 | 144.6 | 31.8 | -115.5 | 153.9 | -166.5 | 0 | 0 | 114.3 | ||||
| 1077 | Q | 27.6 | Very low | 27.9 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 33.1 | 98.5 | 135.2 | -66.2 | 174.9 | -20.7 | 0 | 0 | 118.8 | V1079 | Q1077-V1079 HydrophobicContact CB-CG2 4.46Å; Q1077-V1079 PolarHBondContact O-N 3.35Å | ||
| 1078 | K | 28.9 | Very low | 27.9 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -66.8 | 106 | 134.3 | -174.7 | -176.6 | -175.8 | -173.7 | 0 | 108.6 | ||||
| 1079 | V | 32.1 | Very low | 27.8 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | -69 | 135.2 | 167.2 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | Q1077 V1081 | Q1077-V1079 HydrophobicContact CB-CG2 4.46Å; Q1077-V1079 PolarHBondContact O-N 3.35Å; V1079-V1081 HydrophobicContact CG1-CG2 4.41Å | ||
| 1080 | L | 30.5 | Very low | 27.9 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -123.1 | 103.8 | 173.6 | 174.2 | 81.6 | 0 | 0 | 0 | 108.4 | ||||
| 1081 | V | 32.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | -153.2 | 105.4 | 163.6 | -178.2 | 0 | 0 | 0 | 0 | 103.6 | V1079 | V1079-V1081 HydrophobicContact CG1-CG2 4.41Š| ||
| 1082 | Q | 25.2 | Very low | 27.9 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | 62.8 | 91.8 | 58.5 | -163.4 | 174.4 | 9.4 | 0 | 0 | 113.6 | |||||
| 1083 | N | 26.8 | Very low | 27.9 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 175.4 | 115.9 | 143.2 | -84.7 | -15.3 | 0 | 0 | 0 | 105.7 | ||||
| 1084 | N | 25.4 | Very low | 28 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 44.8 | 121.6 | 76.9 | -76.6 | 3.4 | 0 | 0 | 0 | 113.4 | |||||
| 1085 | T | 27.2 | Very low | 28.1 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 55.2 | 124.1 | 151.4 | 53.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1086 | E | 30 | Very low | 28.3 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | cis | -167.6 | 173.1 | 23.3 | -108.5 | 155.6 | -158.7 | 0 | 0 | 110.3 | ||||
| 1087 | S | 30.3 | Very low | 28.3 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 68.9 | 122.1 | -179.3 | 76.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1088 | S | 29.3 | Very low | 28.3 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | 111 | 135.7 | 38.2 | -77 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1089 | P | 29.8 | Very low | 28.3 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -105.4 | 149.4 | -149.9 | 37.8 | -32.2 | 0 | 0 | 0 | 114.9 | ||||
| 1090 | S | 30.8 | Very low | 27.9 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -129.3 | 121.2 | 160.7 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1091 | T | 25.6 | Very low | 27.7 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -81.8 | 131.5 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1092 | K | 29.1 | Very low | 27.5 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 175.8 | 120.3 | 149.2 | -97.4 | 161.5 | -178.2 | -167.3 | 0 | 107.3 | ||||
| 1093 | T | 27.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | 75.9 | 139.7 | 50.9 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1094 | D | 26.9 | Very low | 27.7 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 74.4 | 127.1 | -176.9 | -53.6 | -33.6 | 0 | 0 | 0 | 116.1 | ||||
| 1095 | T | 26.5 | Very low | 27.8 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | cis | 63.5 | 50.1 | 4.4 | 65.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1096 | S | 25.9 | Very low | 27.8 | Very low | 90 Ų | 90 | 146 Ų | 146 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | -125.5 | 150.7 | 124.1 | 67.5 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 1097 | F | 26 | Very low | 27.7 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | cis | 65.7 | 40.5 | 9.5 | -120.9 | -79.9 | 0 | 0 | 0 | 116.8 | ||||
| 1098 | T | 27.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 68% | 0.681 | 82% | 0.824 | S | S | * | * | trans | -130.9 | 141.8 | 131.4 | 32.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1099 | E | 29.1 | Very low | 27.7 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | 49.2 | 126.5 | 158.6 | -57 | -175.9 | 140.6 | 0 | 0 | 119.9 | ||||
| 1100 | K | 24.6 | Very low | 27.5 | Very low | 217 Ų | 217 | 154.6 Ų | 154.6 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | cis | 67.4 | 41.3 | 12.8 | -120.9 | -170.8 | -171.4 | -172.9 | 0 | 116.7 | ||||
| 1101 | A | 26.2 | Very low | 27.5 | Very low | 90 Ų | 90 | 154.6 Ų | 154.6 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | trans | -115 | 137.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1102 | A | 28.8 | Very low | 27.6 | Very low | 97 Ų | 97 | 153.2 Ų | 153.2 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -86 | 143.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | V1104 | A1102-V1104 PolarHBondContact O-N 2.97Š| ||
| 1103 | N | 25.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -61.9 | 124.9 | 166.7 | -65.5 | -60 | 0 | 0 | 0 | 110.8 | ||||
| 1104 | V | 29 | Very low | 27.6 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | trans | -123.3 | 124.6 | 151.5 | 179.3 | 0 | 0 | 0 | 0 | 108 | A1102 | A1102-V1104 PolarHBondContact O-N 2.97Š| ||
| 1105 | R | 27.4 | Very low | 27.6 | Very low | 236 Ų | 236 | 149 Ų | 149 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | trans | -70.3 | 137.9 | -178.5 | -65.4 | 165.8 | 169 | 158.4 | -6.4 | 110.5 | ||||
| 1106 | L | 29.1 | Very low | 27.5 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -116.1 | 149.6 | 148.8 | -128.1 | 83.3 | 0 | 0 | 0 | 108.6 | ||||
| 1107 | M | 27.4 | Very low | 27.4 | Very low | 189 Ų | 189 | 155 Ų | 155 | 93% | 0.931 | 84% | 0.841 | S | S | * | * | trans | -69.8 | 133.8 | -171.7 | -74.9 | 170.3 | 146.6 | 0 | 0 | 112.8 | ||||
| 1108 | E | 29.4 | Very low | 27.4 | Very low | 193 Ų | 193 | 150 Ų | 150 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -78 | 133 | 161.4 | -65.8 | 175.8 | 132.4 | 0 | 0 | 109.6 | ||||
| 1109 | Q | 30 | Very low | 27.3 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | trans | -113.4 | 140.3 | 160.1 | -90 | -169.9 | -18.7 | 0 | 0 | 110 | ||||
| 1110 | T | 26.2 | Very low | 27.3 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -86.6 | 149.9 | -169.9 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1111 | S | 29.8 | Very low | 27.3 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | 140.5 | 151.2 | 128.2 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1112 | A | 27.9 | Very low | 27.2 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -101.2 | 146.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1113 | G | 31.6 | Very low | 27.1 | Very low | 79 Ų | 79 | 153.8 Ų | 153.8 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | -129.3 | 120.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1114 | V | 25.5 | Very low | 27.2 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -106.1 | 126.5 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1115 | T | 26.6 | Very low | 26.9 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 91% | 0.914 | 83% | 0.827 | S | S | * | * | trans | -151.9 | 159.8 | 157.6 | 13.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1116 | Q | 24.3 | Very low | 27 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 71% | 0.71 | 82% | 0.821 | S | S | * | * | trans | -120.8 | 160 | -152.7 | -90.5 | 177.1 | -31.6 | 0 | 0 | 114 | ||||
| 1117 | Y | 23 | Very low | 26.8 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | 33.9 | 124.9 | 151 | -59.6 | -63.8 | 0 | 0 | 0 | 118.7 | ||||
| 1118 | S | 26.9 | Very low | 26.8 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | 172.1 | 153.3 | 66.8 | 41 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1119 | T | 25.1 | Very low | 26.5 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -91.2 | 132.6 | 176.4 | -10.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1120 | I | 28.9 | Very low | 26.3 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -117.9 | 132.1 | 171.2 | -64 | 178 | 0 | 0 | 0 | 109 | ||||
| 1121 | D | 25.3 | Very low | 26.4 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 63% | 0.631 | 82% | 0.823 | S | S | * | * | trans | -104.4 | 142.3 | -170.4 | -159.9 | 18.5 | 0 | 0 | 0 | 111 | ||||
| 1122 | K | 23.8 | Very low | 26.1 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 74% | 0.735 | 82% | 0.816 | S | S | * | * | trans | 50.2 | 127.6 | 160.7 | -68.9 | 157.7 | -167.7 | 149.1 | 0 | 121.8 | ||||
| 1123 | Q | 25.9 | Very low | 26.1 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | 160.3 | 156.1 | 132.4 | -93.9 | -177.5 | 28.2 | 0 | 0 | 109.2 | ||||
| 1124 | Q | 27.9 | Very low | 25.7 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | cis | -156.6 | 163.2 | -19.7 | -136.3 | 172.1 | 1.6 | 0 | 0 | 107.4 | G1126 | Q1124-G1126 PolarHBondContact O-N 2.85Š| ||
| 1125 | N | 23.7 | Very low | 25.8 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -66.5 | 131.8 | 176 | -76.9 | -27.1 | 0 | 0 | 0 | 112.1 | ||||
| 1126 | G | 28.4 | Very low | 26.6 | Very low | 76 Ų | 76 | 152.9 Ų | 152.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -131.3 | 89.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1124 | Q1124-G1126 PolarHBondContact O-N 2.85Š| ||
| 1127 | T | 25 | Very low | 26.8 | Very low | 142 Ų | 142 | 153.4 Ų | 153.4 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -84.4 | 120.7 | 171.9 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1128 | L | 28.3 | Very low | 26.9 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -123.5 | 125 | 169.8 | -96.5 | 160.5 | 0 | 0 | 0 | 110.8 | ||||
| 1129 | R | 23.4 | Very low | 27 | Very low | 250 Ų | 250 | 151.9 Ų | 151.9 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | trans | -87.1 | 133.9 | 178.7 | -81.5 | 177.9 | 165.5 | -179.4 | -4.7 | 110.8 | ||||
| 1130 | G | 24.9 | Very low | 26.9 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | 72.7 | 119.2 | 129.5 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 1131 | Q | 28.4 | Very low | 26.9 | Very low | 205 Ų | 205 | 153.1 Ų | 153.1 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -147.9 | 124.9 | 138.3 | -111.8 | 172.4 | 13.3 | 0 | 0 | 109.8 | ||||
| 1132 | S | 23.2 | Very low | 26.9 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | -100.4 | 142.1 | 173.3 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1133 | N | 27.2 | Very low | 27.2 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | -163.9 | 119.9 | 154.9 | -96.1 | -23.4 | 0 | 0 | 0 | 113.3 | ||||
| 1134 | F | 24.6 | Very low | 27.2 | Very low | 194 Ų | 194 | 154.3 Ų | 154.3 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | 59.1 | 125.9 | 146.2 | -72.2 | -87.9 | 0 | 0 | 0 | 124.2 | ||||
| 1135 | E | 27 | Very low | 27.1 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -80.8 | -162 | 163.4 | -60 | 168.6 | 103.5 | 0 | 0 | 111.8 | ||||
| 1136 | P | 42.7 | Very low | 27.2 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | -125.2 | -178 | -54.6 | 29.5 | -12.6 | 0 | 0 | 0 | 111.8 | |||||
| 1137 | N | 29 | Very low | 27.1 | Very low | 164 Ų | 164 | 154.7 Ų | 154.7 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -150.4 | 151.5 | 147.7 | -118.5 | -32.4 | 0 | 0 | 0 | 114.4 | ||||
| 1138 | H | 26.4 | Very low | 27.3 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -85.5 | 149.4 | -168 | -71 | -116.9 | 0 | 0 | 0 | 114.3 | ||||
| 1139 | S | 27.6 | Very low | 27.4 | Very low | 110 Ų | 110 | 152.1 Ų | 152.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 166.6 | 119.5 | 106.5 | 51.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1140 | T | 24 | Very low | 27.7 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -7.2 | 130.3 | 151.8 | 49.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1141 | F | 28.7 | Very low | 27.8 | Very low | 212 Ų | 212 | 151 Ų | 151 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | -155.5 | 134.9 | 120.8 | -100.1 | -71.7 | 0 | 0 | 0 | 111 | |||||
| 1142 | R | 24.3 | Very low | 27.8 | Very low | 239 Ų | 239 | 147.7 Ų | 147.7 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -151.8 | 133.2 | 173.6 | -149.9 | -172.7 | -161.9 | -168.9 | 6.6 | 107.1 | ||||
| 1143 | P | 30.5 | Very low | 28.1 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | -149.4 | 151.7 | 122.2 | 33.3 | -15.4 | 0 | 0 | 0 | 115.4 | |||||
| 1144 | V | 25.7 | Very low | 27.9 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 59.4 | 140.7 | 134.3 | 174.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1145 | S | 25.6 | Very low | 28 | Very low | 81 Ų | 81 | 150.5 Ų | 150.5 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | cis | 174.5 | 164.2 | -39.1 | 54.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1146 | Q | 26.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 71.9 | 150.9 | 172.1 | -46.4 | 169.2 | -39.5 | 0 | 0 | 114.4 | ||||
| 1147 | F | 26.1 | Very low | 27.1 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -144.5 | 160.9 | -3.9 | -85.4 | -77.3 | 0 | 0 | 0 | 106.5 | ||||
| 1148 | S | 30.1 | Very low | 27.2 | Very low | 88 Ų | 88 | 148 Ų | 148 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | cis | -173.6 | 148.4 | -28.3 | 46.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1149 | E | 28.7 | Very low | 27.4 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -121.8 | 113.7 | 173.4 | -74 | -173 | 152.9 | 0 | 0 | 110.8 | N1151 | E1149-N1151 PolarHBondContact O-N 3.27Š| ||
| 1150 | D | 31 | Very low | 27.8 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -89.2 | 94.2 | -178.3 | -77.5 | -37.5 | 0 | 0 | 0 | 112.4 | V1152 | D1150-V1152 PolarHBondContact O-N 2.85Š| ||
| 1151 | N | 27.1 | Very low | 28.5 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -82.9 | 93.4 | 165.3 | -88.3 | -53.5 | 0 | 0 | 0 | 110.6 | E1149 S1153 | E1149-N1151 PolarHBondContact O-N 3.27Å; N1151-S1153 PolarHBondContact O-N 3.07Å | ||
| 1152 | V | 28.7 | Very low | 29.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -81.1 | 105.9 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | D1150 | D1150-V1152 PolarHBondContact O-N 2.85Š| ||
| 1153 | S | 28.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -78.3 | 139.2 | 175.9 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | N1151 R1155 | N1151-S1153 PolarHBondContact O-N 3.07Å; S1153-R1155 PolarHBondContact O-N 2.04Å | ||
| 1154 | L | 23.1 | Very low | 30.4 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -60.1 | 127.9 | 176.2 | -80.8 | 74.6 | 0 | 0 | 0 | 111.1 | ||||
| 1155 | R | 25.7 | Very low | 30.9 | Very low | 232 Ų | 232 | 135.3 Ų | 135.3 | 88% | 0.875 | 73% | 0.73 | S | S | * | * | trans | -103.2 | 104.1 | 162.7 | -81.9 | -174.1 | 172 | -177.8 | -1.4 | 110.3 | S1153 V1157 | S1153-R1155 PolarHBondContact O-N 2.04Å; R1155-V1157 PolarHBondContact O-N 2.99Å | ||
| 1156 | T | 24.6 | Very low | 31.1 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | trans | -75 | 109.8 | 166.9 | -3.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1157 | V | 27.9 | Very low | 31.5 | Very low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -87.4 | 120 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | R1155 E1159 | R1155-V1157 PolarHBondContact O-N 2.99Å; V1157-E1159 HydrophobicContact CG1-CG 4.21Å | ||
| 1158 | I | 30 | Very low | 31.6 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | -98.2 | 106.1 | 171.1 | -62.6 | 168.3 | 0 | 0 | 0 | 106.2 | ||||
| 1159 | E | 29.9 | Very low | 31.7 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -76.8 | 142.3 | 171.9 | -72.1 | -169.8 | 146 | 0 | 0 | 110.8 | V1157 | V1157-E1159 HydrophobicContact CG1-CG 4.21Š| ||
| 1160 | I | 37.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 58% | 0.579 | 74% | 0.735 | S | S | * | * | trans | -128.6 | 134.5 | -173.3 | -49.5 | 173.6 | 0 | 0 | 0 | 105.9 | ||||
| 1161 | D | 38.8 | Very low | 31.6 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 37% | 0.369 | 74% | 0.738 | S | S | . | * | trans | -69.6 | 167.8 | 175.4 | 76.7 | 33.1 | 0 | 0 | 0 | 112 | S1163 G1164 V1167 | D1161-S1163 PolarHBondContact O-N 2.82Å; D1161-S1163 WeakPolarHBondContact OD1-CA 3.39Å; D1161-S1163 WeakPolarHBondContact OD1-CB 3.08Å; D1161-S1163 PolarHBondContact OD1-N 2.88Å; D1161-S1163 PolarHBondContact OD1-OG 2.66Å; D1161-G1164 PolarHBondContact O-N 3.1Å; D1161-V1167 WeakPolarHBondContact OD2-CG2 3.14Å | ||
| 1162 | S | 40.8 | Very low | 31.5 | Very low | 142 Ų | 142 | 137 Ų | 137 | 99% | 0.993 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -0.4 | -176.1 | 52.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1163 | S | 50 | Low | 31.5 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -0.4 | 173.4 | 78.6 | 0 | 0 | 0 | 0 | 114.3 | D1161 | D1161-S1163 PolarHBondContact O-N 2.82Å; D1161-S1163 WeakPolarHBondContact OD1-CA 3.39Å; D1161-S1163 WeakPolarHBondContact OD1-CB 3.08Å; D1161-S1163 PolarHBondContact OD1-N 2.88Å; D1161-S1163 PolarHBondContact OD1-OG 2.66Å |
| 1164 | G | 33.1 | Very low | 31.4 | Very low | 56 Ų | 56 | 136.5 Ų | 136.5 | 58% | 0.577 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 77.5 | 23.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1161 | D1161-G1164 PolarHBondContact O-N 3.1Š|
| 1165 | R | 34.7 | Very low | 31.6 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -116.5 | 140.4 | 176.6 | -69.2 | -172.2 | 174.9 | -165.1 | -1 | 112 | V1167 | R1165-V1167 PolarHBondContact O-N 2.82Š| ||
| 1166 | P | 30.7 | Very low | 31.5 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -77.9 | 122.2 | 179.1 | 30.2 | -33.2 | 0 | 0 | 0 | 111 | ||||
| 1167 | V | 34.6 | Very low | 31.4 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 61% | 0.606 | 74% | 0.736 | S | S | * | * | trans | -90 | 109.8 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | D1161 R1165 V1169 | D1161-V1167 WeakPolarHBondContact OD2-CG2 3.14Å; R1165-V1167 PolarHBondContact O-N 2.82Å; V1167-V1169 HydrophobicContact CG1-CG2 4.18Å; V1167-V1169 PolarHBondContact O-N 2.85Å; V1167-V1169 VanDerWaalsContact O-N 3.14Å | ||
| 1168 | L | 28.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -78.8 | 90.3 | 180 | -172.2 | 79.6 | 0 | 0 | 0 | 111.4 | K1170 | L1168-K1170 PolarHBondContact O-N 3.05Š| ||
| 1169 | V | 31 | Very low | 31 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -81.5 | 115.1 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | V1167 | V1167-V1169 HydrophobicContact CG1-CG2 4.18Å; V1167-V1169 PolarHBondContact O-N 2.85Å; V1167-V1169 VanDerWaalsContact O-N 3.14Å | ||
| 1170 | K | 29.3 | Very low | 30.7 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 144 | 175.4 | -73.9 | -178.9 | 175.5 | 179.4 | 0 | 111.2 | L1168 Y1172 | L1168-K1170 PolarHBondContact O-N 3.05Å; K1170-Y1172 PolarHBondContact O-N 2.79Å |
| 1171 | P | 28.2 | Very low | 30.1 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 129.2 | 179 | 27.8 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 1172 | Y | 26.6 | Very low | 29.4 | Very low | 226 Ų | 226 | 145.1 Ų | 145.1 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76 | 145.7 | 171.6 | -103.9 | -94 | 0 | 0 | 0 | 111.3 | K1170 | K1170-Y1172 PolarHBondContact O-N 2.79Š|
| 1173 | S | 27.4 | Very low | 28.6 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 149.9 | 178.6 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | S1175 | S1173-S1175 PolarHBondContact O-N 3.17Å; S1173-S1175 VanDerWaalsContact O-N 3.1Å |
| 1174 | P | 26.6 | Very low | 27.3 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -76.1 | 100.2 | -175 | 30.8 | -35.2 | 0 | 0 | 0 | 112.2 | ||||
| 1175 | S | 27.3 | Very low | 26.9 | Very low | 98 Ų | 98 | 154.7 Ų | 154.7 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -146.1 | 63.6 | 174 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | S1173 | S1173-S1175 PolarHBondContact O-N 3.17Å; S1173-S1175 VanDerWaalsContact O-N 3.1Å | ||
| 1176 | R | 25.1 | Very low | 26.5 | Very low | 243 Ų | 243 | 150 Ų | 150 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -171.7 | 116.2 | 146.2 | -108.9 | 166.6 | -178.9 | -170.1 | -1.2 | 110.9 | ||||
| 1177 | Q | 22.3 | Very low | 26.3 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.3 | 165 | -72.2 | 173.2 | -44.9 | 0 | 0 | 108.8 | T1179 | Q1177-T1179 PolarHBondContact O-N 2.77Š|
| 1178 | P | 24.1 | Very low | 25.9 | Very low | 124 Ų | 124 | 155 Ų | 155 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.5 | 173.5 | -19.9 | 32.8 | 0 | 0 | 0 | 110.3 | Y1180 | P1178-Y1180 PolarHBondContact O-N 3.24Š|
| 1179 | T | 24.7 | Very low | 25.8 | Very low | 114 Ų | 114 | 158.2 Ų | 158.2 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124.8 | 170.2 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | Q1177 F1181 | Q1177-T1179 PolarHBondContact O-N 2.77Å; T1179-F1181 PolarHBondContact O-N 3.26Å; T1179-F1181 VanDerWaalsContact O-N 3.08Å |
| 1180 | Y | 24 | Very low | 25.6 | Very low | 237 Ų | 237 | 155 Ų | 155 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | trans | -52.7 | 113.9 | 172.1 | -114 | -106.4 | 0 | 0 | 0 | 110 | P1178 | P1178-Y1180 PolarHBondContact O-N 3.24Š| ||
| 1181 | F | 25.1 | Very low | 25.5 | Very low | 175 Ų | 175 | 154.3 Ų | 154.3 | 77% | 0.768 | 80% | 0.802 | S | S | * | * | trans | -80.4 | 126.4 | 170.9 | -103.3 | -95.1 | 0 | 0 | 0 | 109.3 | T1179 Y1183 | T1179-F1181 PolarHBondContact O-N 3.26Å; T1179-F1181 VanDerWaalsContact O-N 3.08Å; F1181-Y1183 PolarHBondContact O-N 2.9Å; F1181-Y1183 VanDerWaalsContact O-N 3.11Å | ||
| 1182 | N | 23.4 | Very low | 25.6 | Very low | 151 Ų | 151 | 153.1 Ų | 153.1 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -63.4 | 108.8 | 170.2 | -78.9 | -31.4 | 0 | 0 | 0 | 109.7 | ||||
| 1183 | Y | 23.4 | Very low | 25.9 | Very low | 218 Ų | 218 | 148.4 Ų | 148.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -97.5 | 95.2 | 157.2 | -105.9 | -91.2 | 0 | 0 | 0 | 108.9 | F1181 | F1181-Y1183 PolarHBondContact O-N 2.9Å; F1181-Y1183 VanDerWaalsContact O-N 3.11Å | ||
| 1184 | Q | 23.1 | Very low | 26.2 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -94 | 104.6 | 157.8 | -73.1 | -179.4 | -34.6 | 0 | 0 | 107.1 | ||||
| 1185 | A | 25.7 | Very low | 26.5 | Very low | 80 Ų | 80 | 149 Ų | 149 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -160.8 | 140.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1186 | A | 25.2 | Very low | 26.9 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 62.4 | 93.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | D1188 | A1186-D1188 PolarHBondContact O-N 2.59Š| ||
| 1187 | D | 26.3 | Very low | 27.5 | Very low | 170 Ų | 170 | 141 Ų | 141 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -53.1 | 115.9 | 137.9 | -55.6 | -76.2 | 0 | 0 | 0 | 109.1 | ||||
| 1188 | D | 26.1 | Very low | 28 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -146.3 | 56.6 | 168.4 | -148.5 | 3.1 | 0 | 0 | 0 | 110.4 | A1186 G1190 | A1186-D1188 PolarHBondContact O-N 2.59Å; D1188-G1190 PolarHBondContact O-N 2.8Å | ||
| 1189 | Y | 26.9 | Very low | 28.4 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -76.8 | 78.9 | 165.7 | -102.9 | -82.8 | 0 | 0 | 0 | 109.2 | ||||
| 1190 | G | 26.1 | Very low | 28.9 | Very low | 56 Ų | 56 | 140.3 Ų | 140.3 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 118.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | D1188 P1192 | D1188-G1190 PolarHBondContact O-N 2.8Å; G1190-P1192 WeakPolarHBondContact O-CD 3.13Å |
| 1191 | D | 28.5 | Very low | 29.2 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 121.8 | 178.5 | -76.5 | -49.1 | 0 | 0 | 0 | 112 | ||
| 1192 | P | 30.8 | Very low | 29.4 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.1 | 165 | 30.8 | -30.7 | 0 | 0 | 0 | 110 | G1190 | G1190-P1192 WeakPolarHBondContact O-CD 3.13Š|
| 1193 | P | 31 | Very low | 29.7 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.8 | -174.1 | -24 | 34.2 | 0 | 0 | 0 | 114.8 | D1195 | P1193-D1195 PolarHBondContact O-N 2.86Š|
| 1194 | T | 35.5 | Very low | 30 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | trans | -71.6 | 89.7 | 172.2 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | A1196 | T1194-A1196 PolarHBondContact O-N 2.93Š| ||
| 1195 | D | 32.5 | Very low | 30.4 | Very low | 101 Ų | 101 | 135 Ų | 135 | 54% | 0.54 | 74% | 0.74 | S | S | . | * | trans | -77.9 | 62.8 | 174.6 | -160.4 | -10.5 | 0 | 0 | 0 | 112.3 | P1193 T1197 Y1198 | P1193-D1195 PolarHBondContact O-N 2.86Å; D1195-T1197 PolarHBondContact O-N 2.89Å; D1195-T1197 WeakPolarHBondContact OD1-CB 3.49Å; D1195-T1197 PolarHBondContact OD1-N 2.77Å; D1195-T1197 PolarHBondContact OD1-OG1 2.89Å; D1195-Y1198 PolarHBondContact O-N 3.49Å; D1195-Y1198 PolarHBondContact OD1-N 3.24Å | ||
| 1196 | A | 36.3 | Very low | 30.6 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -17.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1194 Y1198 A1199 | T1194-A1196 PolarHBondContact O-N 2.93Å; A1196-Y1198 VanDerWaalsContact C-N 3.31Å; A1196-Y1198 PolarHBondContact O-N 2.91Å; A1196-A1199 PolarHBondContact O-N 3.17Å |
| 1197 | T | 36.7 | Very low | 30.8 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -72 | -16.8 | 175.8 | 33.6 | 0 | 0 | 0 | 0 | 114.5 | D1195 | D1195-T1197 PolarHBondContact O-N 2.89Å; D1195-T1197 WeakPolarHBondContact OD1-CB 3.49Å; D1195-T1197 PolarHBondContact OD1-N 2.77Å; D1195-T1197 PolarHBondContact OD1-OG1 2.89Å |
| 1198 | Y | 33 | Very low | 30.9 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -74.5 | -30.9 | 170.3 | -163.8 | -100 | 0 | 0 | 0 | 112.7 | D1195 A1196 | D1195-Y1198 PolarHBondContact O-N 3.49Å; D1195-Y1198 PolarHBondContact OD1-N 3.24Å; A1196-Y1198 VanDerWaalsContact C-N 3.31Å; A1196-Y1198 PolarHBondContact O-N 2.91Å |
| 1199 | A | 32.1 | Very low | 31 | Very low | 78 Ų | 78 | 146.1 Ų | 146.1 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -77.9 | -33.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1196 | A1196-A1199 PolarHBondContact O-N 3.17Å |
| 1200 | E | 34.5 | Very low | 31 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -75.7 | -23.6 | -177.8 | -70.8 | -163.7 | 142.4 | 0 | 0 | 113.9 | L1202 | E1200-L1202 VanDerWaalsContact C-N 3.27Å; E1200-L1202 PolarHBondContact O-N 3.43Å |
| 1201 | R | 31.8 | Very low | 31.3 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -3.2 | -177.9 | -86.9 | -173.9 | 175.1 | 170.3 | 2 | 115.9 | ||
| 1202 | L | 29.6 | Very low | 31.2 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 10.2 | -175.3 | -101.3 | 159.6 | 0 | 0 | 0 | 115.3 | E1200 | E1200-L1202 VanDerWaalsContact C-N 3.27Å; E1200-L1202 PolarHBondContact O-N 3.43Å |
| 1203 | R | 29.4 | Very low | 31.2 | Very low | 244 Ų | 244 | 148.3 Ų | 148.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -137.7 | 10.1 | 175.4 | -101.2 | -179.2 | -170.8 | 167.6 | 5.2 | 118 | ||
| 1204 | S | 28.5 | Very low | 31.3 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -118.6 | 57.9 | 174 | 74.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1205 | N | 31.5 | Very low | 30.8 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -169.8 | 104.2 | 148.4 | -101.4 | -24.8 | 0 | 0 | 0 | 110.1 | ||||
| 1206 | D | 30.8 | Very low | 30.7 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | 178.4 | 80.6 | 127.3 | -93.4 | -5.2 | 0 | 0 | 0 | 108.8 | |||||
| 1207 | L | 29.1 | Very low | 30 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -87.1 | 146.2 | 164.2 | -112 | 160.9 | 0 | 0 | 0 | 108.3 | ||||
| 1208 | Q | 28.9 | Very low | 29.7 | Very low | 160 Ų | 160 | 160.2 Ų | 160.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 85.4 | 99.2 | 168.1 | -54.2 | 179.9 | -15.3 | 0 | 0 | 119.4 | ||||
| 1209 | R | 27.9 | Very low | 29.4 | Very low | 231 Ų | 231 | 158.9 Ų | 158.9 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -158.1 | 86.1 | 131.7 | -109.6 | 178.3 | -102 | -112.2 | 1.3 | 106.4 | ||||
| 1210 | Q | 26.5 | Very low | 29.3 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | 36.9 | 95.9 | 82.4 | -82.8 | -168.3 | -9.5 | 0 | 0 | 113.8 | |||||
| 1211 | F | 33.4 | Very low | 29 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -133.7 | 137.6 | 140.2 | -91.2 | -75.7 | 0 | 0 | 0 | 108.4 | ||||
| 1212 | A | 26.5 | Very low | 28.9 | Very low | 97 Ų | 97 | 154.5 Ų | 154.5 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -125.4 | 150.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1213 | S | 29.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 155.1 Ų | 155.1 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -169.5 | 157.1 | 153.8 | 41.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1214 | P | 34.7 | Very low | 28.8 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -130.4 | 167.6 | -142.3 | 43 | -28.5 | 0 | 0 | 0 | 117.1 | ||||
| 1215 | T | 23.3 | Very low | 29.1 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 42 | 115.5 | 144.2 | 56.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1216 | L | 30.1 | Very low | 29 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -138.3 | 108.9 | 142.4 | -120.9 | 88 | 0 | 0 | 0 | 106 | ||||
| 1217 | Y | 23.2 | Very low | 28.8 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | 52.5 | 99.1 | 83.4 | -102.1 | -83.2 | 0 | 0 | 0 | 115.6 | |||||
| 1218 | Q | 30.7 | Very low | 28.8 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -155.5 | 126.4 | 145.7 | -137.4 | 170.9 | 3.4 | 0 | 0 | 111.4 | ||||
| 1219 | D | 26.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -79.2 | 156.6 | 179.1 | -57.7 | -79.3 | 0 | 0 | 0 | 112.8 | ||||
| 1220 | G | 30.2 | Very low | 28.5 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 174.2 | 90.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1221 | A | 27.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -51 | 145.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1222 | F | 29.1 | Very low | 28.4 | Very low | 203 Ų | 203 | 141.5 Ų | 141.5 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | -168.4 | 169.9 | 120.2 | -114.4 | -83.2 | 0 | 0 | 0 | 111.7 | |||||
| 1223 | N | 28.9 | Very low | 28.6 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -92.6 | 157.1 | -154.8 | -64.3 | -47.2 | 0 | 0 | 0 | 117.6 | ||||
| 1224 | A | 28.8 | Very low | 28.3 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -41.4 | 175 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1225 | P | 34.8 | Very low | 27.8 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -135.5 | -169.7 | 6 | 41 | -21.9 | 0 | 0 | 0 | 116.5 | ||||
| 1226 | L | 29.2 | Very low | 28 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 85.4 | 95.9 | 179.1 | -54.9 | 166.9 | 0 | 0 | 0 | 113.2 | ||||
| 1227 | E | 27.1 | Very low | 28.4 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | 62.1 | 128.1 | 72.7 | -66.2 | -177.1 | 169.3 | 0 | 0 | 112.9 | |||||
| 1228 | D | 28.7 | Very low | 28.4 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | cis | -161.4 | 114.2 | -17.7 | -134 | -6.9 | 0 | 0 | 0 | 107 | ||||
| 1229 | D | 25.9 | Very low | 28.1 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -105.7 | 92.5 | -174.2 | -115.4 | -15.9 | 0 | 0 | 0 | 110.4 | ||||
| 1230 | F | 26 | Very low | 28.1 | Very low | 189 Ų | 189 | 140 Ų | 140 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -145.7 | 158.8 | 174.8 | -94.8 | -79.8 | 0 | 0 | 0 | 112.7 | ||||
| 1231 | I | 29.8 | Very low | 27.8 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 90.7 | 100.1 | 171 | -50.9 | -180 | 0 | 0 | 0 | 116.3 | ||||
| 1232 | T | 27.2 | Very low | 27.8 | Very low | 125 Ų | 125 | 144 Ų | 144 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 157.5 | 158.5 | 42.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1233 | P | 30 | Very low | 27.6 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -81.2 | 143.2 | -176.9 | 33.3 | -36 | 0 | 0 | 0 | 113.8 | ||||
| 1234 | M | 23.5 | Very low | 27.4 | Very low | 159 Ų | 159 | 142 Ų | 142 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -161.3 | 135.2 | 155.5 | -116.5 | 174.6 | 80.6 | 0 | 0 | 114.1 | ||||
| 1235 | M | 24.5 | Very low | 27.4 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | trans | 67.4 | 142.6 | 155.8 | -66.5 | -176.7 | 165 | 0 | 0 | 121.1 | ||||
| 1236 | A | 27 | Very low | 27.1 | Very low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -102.6 | -150.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1237 | P | 37.7 | Very low | 27.5 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -130 | 142.8 | -39.9 | 31.3 | -15.1 | 0 | 0 | 0 | 112.5 | ||||
| 1238 | L | 23.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -149.9 | 120.8 | 165.9 | -80.1 | -179.8 | 0 | 0 | 0 | 114.3 | ||||
| 1239 | R | 25.1 | Very low | 27.6 | Very low | 230 Ų | 230 | 146.7 Ų | 146.7 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | 57.9 | 154.9 | 140.4 | -57.3 | 175.5 | 177.5 | 175.3 | -1 | 117.2 | ||||
| 1240 | S | 25.9 | Very low | 27.5 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -157 | 138.9 | 8.5 | 96.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1241 | I | 24.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | 70.9 | 139 | 103.7 | -57.3 | 170.3 | 0 | 0 | 0 | 115.2 | |||||
| 1242 | S | 26.5 | Very low | 27.2 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 85.5 | 145.3 | 171.7 | 108 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1243 | Q | 25 | Very low | 27.1 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -156.8 | 135.3 | -7.8 | -131 | 165.2 | -29.2 | 0 | 0 | 113.2 | ||||
| 1244 | E | 25.6 | Very low | 26.8 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 33.6 | 120 | 133.9 | -58.2 | 175.1 | 141.1 | 0 | 0 | 121.8 | ||||
| 1245 | M | 28.1 | Very low | 26.9 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | -176.9 | 103.6 | 96.3 | -95.4 | -166.2 | 170.7 | 0 | 0 | 114.7 | |||||
| 1246 | N | 28.8 | Very low | 27 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -2.8 | 171.5 | 130.6 | -86.8 | -9.8 | 0 | 0 | 0 | 121.2 | ||||
| 1247 | P | 38 | Very low | 26.8 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -143.6 | -145.6 | -38.9 | 43.2 | -23.5 | 0 | 0 | 0 | 112.2 | ||||
| 1248 | Y | 30 | Very low | 26.2 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | trans | 105.3 | 95.7 | 173.2 | -74.3 | -82.3 | 0 | 0 | 0 | 114.1 | ||||
| 1249 | S | 26.3 | Very low | 26.4 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | 98.2 | 126.7 | 33.3 | 80.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1250 | G | 24.1 | Very low | 26.3 | Very low | 59 Ų | 59 | 129.2 Ų | 129.2 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | trans | 135.9 | 130.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1251 | Y | 26.5 | Very low | 26.2 | Very low | 234 Ų | 234 | 135.8 Ų | 135.8 | 92% | 0.918 | 76% | 0.761 | S | S | * | * | trans | 72.2 | 136.2 | 163.2 | -50 | -79.7 | 0 | 0 | 0 | 117.8 | ||||
| 1252 | S | 24.3 | Very low | 26.2 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | cis | -167.3 | 147.1 | -13.5 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1253 | V | 23.7 | Very low | 26.4 | Very low | 130 Ų | 130 | 141 Ų | 141 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | 72.4 | 108.1 | 133.5 | 167.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1254 | V | 25.2 | Very low | 27 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | 78 | 130.5 | 135.1 | 173.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1255 | G | 25.4 | Very low | 27.1 | Very low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | 155.7 | 60.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1256 | S | 25.3 | Very low | 26.9 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 6.2 | 110.3 | 152.9 | 52.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1257 | T | 23.7 | Very low | 26.7 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | 50.6 | 107.9 | 98.3 | 62.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1258 | S | 25 | Very low | 26.2 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 61.3 | 87.3 | 72.8 | -179.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1259 | S | 26.8 | Very low | 26.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -135 | 109.2 | 145.6 | 52.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1260 | L | 23.1 | Very low | 26.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | 63.4 | 96.3 | 67.9 | -72.4 | 164.9 | 0 | 0 | 0 | 114.5 | |||||
| 1261 | R | 23.3 | Very low | 26.5 | Very low | 230 Ų | 230 | 135.8 Ų | 135.8 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 48.4 | 128.3 | 132.7 | -62.2 | 175.9 | 173.8 | -178.1 | -3.2 | 118.7 | ||||
| 1262 | R | 26 | Very low | 26.3 | Very low | 244 Ų | 244 | 132 Ų | 132 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | -165.3 | 166.6 | 111.2 | -103.3 | -175.7 | -178.6 | -175.9 | 1.4 | 112.1 | |||||
| 1263 | P | 31.2 | Very low | 26.5 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -110.5 | -148.8 | -156.8 | 46.4 | -38 | 0 | 0 | 0 | 113.2 | ||||
| 1264 | P | 37.3 | Very low | 26.5 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | -99.1 | 175.6 | -125.4 | 37.5 | -20.3 | 0 | 0 | 0 | 114.5 | |||||
| 1265 | F | 26.1 | Very low | 26.9 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -127.7 | 165.5 | 166.3 | -118.6 | -81.4 | 0 | 0 | 0 | 112.2 | ||||
| 1266 | E | 24.7 | Very low | 27.1 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -82.4 | 174.4 | -158.7 | -63.8 | 161.7 | 117.6 | 0 | 0 | 116.1 | ||||
| 1267 | S | 24 | Very low | 27.2 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -50.9 | 137.1 | 165.3 | 50.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1268 | A | 28.7 | Very low | 27.5 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -158.3 | 114.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1269 | S | 28.6 | Very low | 27.5 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -85.7 | 164.6 | 145.8 | 60.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1270 | P | 33.1 | Very low | 27.4 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -144 | -160.8 | 18.7 | 39.3 | -16.7 | 0 | 0 | 0 | 114.8 | ||||
| 1271 | S | 23.6 | Very low | 27.5 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 106 | 118.5 | 140.5 | 77.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 1272 | I | 23.1 | Very low | 27.5 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | 61.3 | 99.5 | 128.4 | -56.9 | 168.7 | 0 | 0 | 0 | 117.6 | |||||
| 1273 | C | 29.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 86% | 0.858 | 78% | 0.779 | S | S | * | * | -178.4 | 153.4 | 91.5 | -124.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1274 | R | 23.5 | Very low | 27.2 | Very low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -83.7 | 179.6 | 166.6 | -74.9 | 174.7 | 169.2 | 170.9 | -4.8 | 110.2 | ||||
| 1275 | P | 33.3 | Very low | 26.6 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -122.7 | 173.5 | -0.8 | 33.8 | -13 | 0 | 0 | 0 | 112.8 | ||||
| 1276 | T | 29.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | -163.2 | 133.2 | 55 | 37.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1277 | H | 26.4 | Very low | 26.6 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | 33.8 | 123.6 | 102.4 | -65.4 | -91.6 | 0 | 0 | 0 | 115.4 | |||||
| 1278 | S | 30.7 | Very low | 26.5 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | -143.5 | 150.8 | 30.1 | 48.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1279 | V | 25.4 | Very low | 26.4 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | cis | 75.7 | 104.6 | 31.3 | -171.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1280 | G | 25.4 | Very low | 26.6 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | -165.1 | 34.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1281 | T | 24.5 | Very low | 26.1 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -90.3 | 105.8 | 170.7 | 33.2 | 0 | 0 | 0 | 0 | 110.3 | V1283 | T1281-V1283 PolarHBondContact O-N 3.18Š| ||
| 1282 | V | 23.5 | Very low | 26.2 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 118.9 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1283 | V | 26.1 | Very low | 26.4 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | trans | -80.8 | 130.3 | 177 | 174 | 0 | 0 | 0 | 0 | 109.3 | T1281 S1285 | T1281-V1283 PolarHBondContact O-N 3.18Å; V1283-S1285 PolarHBondContact O-N 2.86Å; V1283-S1285 VanDerWaalsContact O-N 3.12Å | ||
| 1284 | Y | 23.7 | Very low | 26.1 | Very low | 237 Ų | 237 | 142 Ų | 142 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 96.1 | 161.4 | -87 | -88.6 | 0 | 0 | 0 | 108.9 | ||||
| 1285 | S | 25.8 | Very low | 26.3 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -95.6 | 121.4 | 172.9 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | V1283 | V1283-S1285 PolarHBondContact O-N 2.86Å; V1283-S1285 VanDerWaalsContact O-N 3.12Å | ||
| 1286 | N | 24.9 | Very low | 26.4 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 42.5 | 106.6 | 149.9 | -64.3 | -9.4 | 0 | 0 | 0 | 119.1 | ||||
| 1287 | G | 24.8 | Very low | 26.1 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -38.3 | 144.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1288 | R | 23.6 | Very low | 26.3 | Very low | 248 Ų | 248 | 141.7 Ų | 141.7 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -133.1 | 116 | 143.6 | -100.8 | -179.7 | 176.5 | -179.6 | -1.4 | 109 | ||||
| 1289 | S | 25.9 | Very low | 26.2 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -78.8 | -176.5 | 144.2 | 69.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1290 | P | 31.8 | Very low | 26.3 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | cis | -129 | 171.9 | -10.6 | 23.5 | -0.3 | 0 | 0 | 0 | 113.7 | ||||
| 1291 | F | 23.9 | Very low | 26.5 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | 35.5 | 150 | 142.7 | -76.2 | -100.2 | 0 | 0 | 0 | 123.6 | ||||
| 1292 | A | 24.7 | Very low | 26.7 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | 81.4 | 140.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1293 | E | 28 | Very low | 26.9 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | cis | -129.3 | 167.2 | 13.9 | -70.9 | 177.8 | 118.5 | 0 | 0 | 113.8 | ||||
| 1294 | V | 23.5 | Very low | 26.9 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -111 | 142.5 | 171.3 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1295 | R | 26.2 | Very low | 27.2 | Very low | 234 Ų | 234 | 142.1 Ų | 142.1 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 121.4 | 160.5 | 163.4 | -66.9 | 177.4 | 170.2 | -170.8 | -2.9 | 114.1 | ||||
| 1296 | P | 35.4 | Very low | 27.2 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | -138.5 | 173.9 | -73.2 | 37.8 | -18 | 0 | 0 | 0 | 114.9 | |||||
| 1297 | L | 23.7 | Very low | 27.2 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | 26.7 | 114.1 | 148.6 | -77.2 | 151.4 | 0 | 0 | 0 | 120.1 | ||||
| 1298 | A | 31.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | -121.2 | 153 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1299 | A | 27.9 | Very low | 27.4 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -127.2 | 166.6 | -161.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1300 | S | 28 | Very low | 27.4 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | 75 | 149.6 | 160.2 | 85.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1301 | Q | 29.4 | Very low | 27.4 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | cis | -144.5 | 170.9 | 8.4 | -89 | -158.6 | -57.9 | 0 | 0 | 112.2 | ||||
| 1302 | P | 29.7 | Very low | 27.5 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -108.1 | 157.6 | 176.8 | 40 | -32.2 | 0 | 0 | 0 | 115.7 | ||||
| 1303 | S | 27.5 | Very low | 27.9 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -177.1 | 171.4 | 164.4 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1304 | E | 25.3 | Very low | 27.7 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | -154.6 | 166.8 | -60 | -125.5 | -163.3 | 103.5 | 0 | 0 | 110.8 | |||||
| 1305 | H | 30.9 | Very low | 27.8 | Very low | 169 Ų | 169 | 136 Ų | 136 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 65.8 | 142.8 | 174.6 | -46.5 | -47.6 | 0 | 0 | 0 | 116.6 | ||||
| 1306 | G | 25.3 | Very low | 28 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | cis | 108.9 | 130.6 | 22.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1307 | G | 24.3 | Very low | 27.6 | Very low | 62 Ų | 62 | 132.8 Ų | 132.8 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | cis | 155.8 | 126 | -3.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1308 | Y | 28.8 | Very low | 27.6 | Very low | 241 Ų | 241 | 129.6 Ų | 129.6 | 95% | 0.945 | 79% | 0.785 | S | S | * | * | trans | -141.1 | 135.4 | 179.8 | -84.5 | -71.5 | 0 | 0 | 0 | 116.1 | ||||
| 1309 | S | 24.7 | Very low | 27.6 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 134.4 | 179.6 | 178.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1310 | L | 25 | Very low | 27.5 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | 74.8 | 109.4 | 74.3 | -135.9 | 169.2 | 0 | 0 | 0 | 114.1 | |||||
| 1311 | N | 31.1 | Very low | 27.7 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -158.9 | 140.5 | 160.9 | -90.6 | -29.4 | 0 | 0 | 0 | 106 | ||||
| 1312 | G | 26.7 | Very low | 27.7 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 140.8 | 59.4 | 3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1313 | H | 32.5 | Very low | 27.6 | Very low | 203 Ų | 203 | 129 Ų | 129 | 94% | 0.94 | 79% | 0.785 | S | S | * | * | trans | -136.2 | 148.8 | 173.8 | -90.4 | -56.1 | 0 | 0 | 0 | 112.9 | ||||
| 1314 | S | 25.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -133 | 139.6 | -154.2 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1315 | T | 24.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 48.1 | 121.1 | 141.1 | 59.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1316 | N | 30.5 | Very low | 28.2 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -161 | 117.2 | 133.4 | -92.8 | -30.1 | 0 | 0 | 0 | 108.8 | ||||
| 1317 | V | 26.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | 65.5 | 95 | 91.2 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1318 | S | 24.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 93.8 | 159.5 | 69.7 | 95.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1319 | S | 30.6 | Very low | 28.4 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 72.5 | 140.6 | -165.6 | 78.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1320 | G | 26.4 | Very low | 28.4 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 146.2 | 130.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1321 | V | 31.8 | Very low | 28.6 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -179.9 | 122.2 | 155.6 | 144 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1322 | N | 30.4 | Very low | 28.5 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 33.6 | 118.9 | 149.9 | -54.4 | -13.9 | 0 | 0 | 0 | 123.7 | ||||
| 1323 | S | 26.8 | Very low | 28.6 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -81.8 | -163 | 149.4 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1324 | P | 42.9 | Very low | 28.5 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | -127.9 | 167.2 | -58.9 | 34.4 | -19.5 | 0 | 0 | 0 | 112.4 | |||||
| 1325 | L | 28.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 124.1 Ų | 124.1 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | -159.3 | 104 | 151.2 | -105.5 | 177.2 | 0 | 0 | 0 | 110.5 | ||||
| 1326 | L | 25.9 | Very low | 28.9 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | trans | -150.1 | 114.8 | 170 | -112.9 | 168.1 | 0 | 0 | 0 | 107.9 | ||||
| 1327 | S | 27.5 | Very low | 28.9 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 62% | 0.622 | 80% | 0.803 | S | S | * | * | trans | -132 | 117.4 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1328 | T | 27.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | trans | 49.9 | 113 | 144.4 | 55.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1329 | F | 26.3 | Very low | 29.2 | Very low | 210 Ų | 210 | 136 Ų | 136 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | -156.1 | 137.4 | 103.6 | -102.7 | -72.3 | 0 | 0 | 0 | 110.5 | |||||
| 1330 | S | 24.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -137.2 | 121.2 | -176 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1331 | V | 29.7 | Very low | 29.1 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -146.2 | 138 | 172 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1332 | A | 28.9 | Very low | 29.1 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | 59.8 | 102.2 | 165 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1333 | G | 27.8 | Very low | 29 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -98.2 | 143 | 153.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1334 | T | 32.1 | Very low | 29.2 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -144.1 | 113.1 | 164.8 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1335 | G | 27.7 | Very low | 28.7 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | 27.3 | 128.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1336 | R | 29.3 | Very low | 28.9 | Very low | 234 Ų | 234 | 138.2 Ų | 138.2 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -162.8 | 83.6 | 139.4 | -107.7 | 168.8 | -165.1 | -160.2 | 3.4 | 109.9 | ||||
| 1337 | D | 31.2 | Very low | 29 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -75.8 | 136.4 | 168 | -73.5 | -46.7 | 0 | 0 | 0 | 110.3 | ||||
| 1338 | Y | 26.2 | Very low | 29.2 | Very low | 225 Ų | 225 | 137.1 Ų | 137.1 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | trans | -91.7 | 127.3 | 177.6 | -77.5 | -109.8 | 0 | 0 | 0 | 109.5 | ||||
| 1339 | V | 30.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 138 Ų | 138 | 78% | 0.782 | 84% | 0.839 | S | S | * | * | trans | -125.4 | 126 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1340 | S | 29.1 | Very low | 29.6 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 86% | 0.856 | S | S | * | * | trans | -76 | 137.6 | -178 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1341 | F | 26.7 | Very low | 29.8 | Very low | 211 Ų | 211 | 139.5 Ų | 139.5 | 93% | 0.925 | 86% | 0.861 | S | S | * | * | trans | -82.3 | 113.2 | 169 | -88.8 | -103.5 | 0 | 0 | 0 | 110.1 | ||||
| 1342 | D | 32.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 86% | 0.861 | 86% | 0.863 | S | S | * | * | trans | -89.9 | 134.6 | 161.3 | -105.2 | -38.1 | 0 | 0 | 0 | 110 | G1344 | D1342-G1344 PolarHBondContact O-N 3.06Š| ||
| 1343 | G | 28 | Very low | 29.9 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 87% | 0.866 | 87% | 0.867 | S | S | * | * | trans | -86.8 | 105.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1344 | G | 31 | Very low | 30 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 78% | 0.784 | 87% | 0.87 | S | S | * | * | trans | -104.2 | 105.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1342 A1346 | D1342-G1344 PolarHBondContact O-N 3.06Å; G1344-A1346 PolarHBondContact O-N 3.48Å | ||
| 1345 | L | 32.1 | Very low | 29.8 | Very low | 190 Ų | 190 | 146 Ų | 146 | 100% | 0.995 | 87% | 0.87 | S | S | * | * | trans | -77.6 | 107.6 | 169.6 | -84.6 | 155 | 0 | 0 | 0 | 110 | ||||
| 1346 | A | 33.5 | Very low | 30 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 77% | 0.769 | 88% | 0.878 | S | S | * | * | trans | -128.3 | 114.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | G1344 | G1344-A1346 PolarHBondContact O-N 3.48Š| ||
| 1347 | G | 27.8 | Very low | 30 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 84% | 0.835 | 88% | 0.878 | S | S | * | * | trans | -92.7 | 119 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1348 | D | 30.6 | Very low | 30 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 88% | 0.877 | 88% | 0.878 | S | S | * | * | trans | -105.3 | 135.1 | 168.8 | -97.5 | -36.9 | 0 | 0 | 0 | 111.3 | ||||
| 1349 | V | 26.8 | Very low | 30.3 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 81% | 0.812 | 88% | 0.877 | S | S | * | * | trans | -51.6 | 125.8 | 179.1 | 175.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1350 | V | 34.8 | Very low | 30.2 | Very low | 210 Ų | 210 | 137.4 Ų | 137.4 | 100% | 1.273 | 89% | 0.886 | S | S | * | * | trans | -138.8 | 0 | 130.4 | -178.3 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 1,350 of 1,350 residues in 2181.4 ms
(Link to these results)