| 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 | 43.7 | Very low | 65.4 | Low | 237 Ų | 237 | 132.4 Ų | 132.4 | 100% | 1.167 | 82% | 0.822 | S | S | * | * | 0 | 91.6 | 0 | -63.1 | 170.6 | 74.8 | 0 | 0 | 107.1 | |||||
| 2 | L | 45.7 | Very low | 66.5 | Low | 180 Ų | 180 | 133.7 Ų | 133.7 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | trans | -90.4 | 109.7 | 175.6 | -101.6 | 77.3 | 0 | 0 | 0 | 107.7 | A4 | L2-A4 PolarHBondContact O-N 3.24Š| ||
| 3 | S | 55.1 | Low | 67.4 | Low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -68.9 | 116.6 | 172.9 | 50 | 0 | 0 | 0 | 0 | 109.2 | S5 | S3-S5 PolarHBondContact O-N 3.18Å; S3-S5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | A | 64.3 | Low | 68.2 | Low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -67.7 | 105.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L2 C6 | L2-A4 PolarHBondContact O-N 3.24Å; A4-C6 PolarHBondContact O-N 2.84Å; A4-C6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | S | 62.6 | Low | 68.3 | Low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 101.9 | 173.4 | -51.6 | 0 | 0 | 0 | 0 | 108.7 | S3 S7 | S3-S5 PolarHBondContact O-N 3.18Å; S3-S5 VanDerWaalsContact O-N 3.13Å; S5-S7 PolarHBondContact O-N 3.2Å | ||
| 6 | C | 65 | Low | 68.6 | Low | 127 Ų | 127 | 142.5 Ų | 142.5 | 86% | 0.858 | 80% | 0.804 | S | S | * | * | trans | -72.2 | 91.3 | 171.8 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | A4 G8 | A4-C6 PolarHBondContact O-N 2.84Å; A4-C6 VanDerWaalsContact O-N 3.1Å; C6-G8 PolarHBondContact O-N 2.86Å | ||
| 7 | S | 71.9 | Confident | 68.7 | Low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 94.8 | 171 | -85.9 | 0 | 0 | 0 | 0 | 109.4 | S5 L9 | S5-S7 PolarHBondContact O-N 3.2Å; S7-L9 PolarHBondContact O-N 2.89Å | ||
| 8 | G | 75.2 | Confident | 68.8 | Low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | -69.4 | 115 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C6 V10 | C6-G8 PolarHBondContact O-N 2.86Å; G8-V10 PolarHBondContact O-N 2.76Å | ||
| 9 | L | 75.2 | Confident | 69.1 | Low | 162 Ų | 162 | 145.2 Ų | 145.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -72 | 110.1 | 168.6 | -91.8 | 151.8 | 0 | 0 | 0 | 109.2 | S7 | S7-L9 PolarHBondContact O-N 2.89Š| ||
| 10 | V | 80.4 | Confident | 69.9 | Low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | -87.5 | 105.9 | 171.5 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | G8 L12 | G8-V10 PolarHBondContact O-N 2.76Å; V10-L12 HydrophobicContact CG1-CD2 4.34Å; V10-L12 HydrophobicContact CG1-CG 4.22Å; V10-L12 PolarHBondContact O-N 3.17Å | ||
| 11 | I | 80.8 | Confident | 71 | Confident | 133 Ų | 133 | 137.5 Ų | 137.5 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -91.6 | 101.5 | 175.1 | -59.1 | 174.8 | 0 | 0 | 0 | 108.1 | L13 | I11-L13 HydrophobicContact CG2-CD2 3.98Å; I11-L13 HydrophobicContact CG2-CG 4.38Å; I11-L13 PolarHBondContact O-N 2.93Å | ||
| 12 | L | 78.1 | Confident | 73.5 | Confident | 148 Ų | 148 | 128.3 Ų | 128.3 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -80.6 | 100.5 | 171.5 | -68.1 | 168.2 | 0 | 0 | 0 | 108.8 | V10 I14 | V10-L12 HydrophobicContact CG1-CD2 4.34Å; V10-L12 HydrophobicContact CG1-CG 4.22Å; V10-L12 PolarHBondContact O-N 3.17Å; L12-I14 PolarHBondContact O-N 2.82Å | ||
| 13 | L | 78.8 | Confident | 76 | Confident | 125 Ų | 125 | 122 Ų | 122 | 65% | 0.654 | 71% | 0.706 | S | S | * | * | trans | -71 | 96.4 | 171.6 | -64 | 176 | 0 | 0 | 0 | 109 | I11 F15 | I11-L13 HydrophobicContact CG2-CD2 3.98Å; I11-L13 HydrophobicContact CG2-CG 4.38Å; I11-L13 PolarHBondContact O-N 2.93Å; L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 HydrophobicContact CB-CD2 4.19Å; L13-F15 HydrophobicContact CB-CE2 3.79Å; L13-F15 HydrophobicContact CB-CZ 4.28Å; L13-F15 HydrophobicContact CD1-CE2 4.24Å; L13-F15 HydrophobicContact CD1-CZ 4.11Å; L13-F15 WeakPolarHBondContact O-CD2 3.3Å; L13-F15 PolarHBondContact O-N 3.16Å | ||
| 14 | I | 77.6 | Confident | 78 | Confident | 148 Ų | 148 | 120.9 Ų | 120.9 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | -70.3 | 88.6 | 167.8 | 46.7 | 170.1 | 0 | 0 | 0 | 108.9 | L12 R16 | L12-I14 PolarHBondContact O-N 2.82Å; I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 2.82Å | ||
| 15 | F | 70.9 | Confident | 79.6 | Confident | 183 Ų | 183 | 118.9 Ų | 118.9 | 80% | 0.803 | 67% | 0.668 | S | S | * | * | trans | -65 | 91.9 | 169 | -71.6 | -80.6 | 0 | 0 | 0 | 108.7 | L13 R17 | L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 HydrophobicContact CB-CD2 4.19Å; L13-F15 HydrophobicContact CB-CE2 3.79Å; L13-F15 HydrophobicContact CB-CZ 4.28Å; L13-F15 HydrophobicContact CD1-CE2 4.24Å; L13-F15 HydrophobicContact CD1-CZ 4.11Å; L13-F15 WeakPolarHBondContact O-CD2 3.3Å; L13-F15 PolarHBondContact O-N 3.16Å; F15-R17 PolarHBondContact O-N 2.91Å; F15-R17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | R | 71.8 | Confident | 81.3 | Confident | 220 Ų | 220 | 115.7 Ų | 115.7 | 83% | 0.83 | 64% | 0.644 | S | S | * | * | trans | -62.3 | 112.5 | 164.5 | -82.1 | -174.6 | 174.2 | -176.7 | -1.2 | 106.8 | I14 T18 | I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 2.82Å; R16-T18 PolarHBondContact O-N 2.8Å; R16-T18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | R | 71.1 | Confident | 82.7 | Confident | 236 Ų | 236 | 117.9 Ų | 117.9 | 89% | 0.891 | 64% | 0.641 | S | S | * | * | trans | -62.6 | 111 | 171.5 | -167.5 | 175.8 | -170.1 | 165.9 | 2.7 | 107.5 | F15 | F15-R17 PolarHBondContact O-N 2.91Å; F15-R17 VanDerWaalsContact O-N 3.1Å | ||
| 18 | T | 71 | Confident | 83.8 | Confident | 126 Ų | 126 | 115.3 Ų | 115.3 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | trans | -86.6 | 122 | 170.4 | 53.9 | 0 | 0 | 0 | 0 | 107.6 | R16 G20 | R16-T18 PolarHBondContact O-N 2.8Å; R16-T18 VanDerWaalsContact O-N 3.07Å; T18-G20 PolarHBondContact O-N 2.74Å | ||
| 19 | S | 73.7 | Confident | 84.8 | Confident | 116 Ų | 116 | 118.4 Ų | 118.4 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | trans | -83.3 | 109 | 168.4 | -63.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 20 | G | 85.6 | Confident | 85.9 | Confident | 61 Ų | 61 | 114 Ų | 114 | 63% | 0.629 | 62% | 0.621 | S | S | * | * | trans | -104.6 | 160.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T18 | T18-G20 PolarHBondContact O-N 2.74Š| ||
| 21 | D | 93.3 | Very high | 86.7 | Confident | 68 Ų | 68 | 114.4 Ų | 114.4 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | trans | -71.8 | 150.2 | 170.4 | -66.7 | -3.6 | 0 | 0 | 0 | 109.8 | Q45 S46 L110 | D21-Q45 CarbonylContact C-O 3.59Å; D21-Q45 WeakPolarHBondContact CA-O 3.06Å; D21-Q45 WeakPolarHBondContact CB-O 3.45Å; D21-S46 VanDerWaalsContact CG-CB 3.49Å; D21-S46 WeakPolarHBondContact OD1-CA 3.33Å; D21-S46 PolarHBondContact OD1-OG 3.16Å; D21-S46 VanDerWaalsContact OD2-CB 3.31Å; D21-S46 WeakPolarHBondContact OD2-CB 3.46Å; D21-S46 PolarHBondContact OD2-OG 2.93Å; D21-L110 HydrophobicContact CB-CD1 3.41Å; D21-L110 VanDerWaalsContact CB-CD1 3.41Å; D21-L110 HydrophobicContact CB-CD2 3.93Å; D21-L110 HydrophobicContact CB-CG 4.28Å | ||
| 22 | S | 95.3 | Very high | 87.5 | Confident | 44 Ų | 44 | 111.5 Ų | 111.5 | 31% | 0.308 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -146.2 | 154.5 | -179 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | Y44 Q45 L110 | S22-Y44 CarbonylContact O-C 3.58Å; S22-Y44 WeakPolarHBondContact O-CA 2.97Å; S22-Y44 WeakPolarHBondContact O-CB 3.39Å; S22-Q45 PolarHBondContact N-O 3.06Å; S22-Q45 PolarHBondContact O-N 2.84Å; S22-L110 VanDerWaalsContact C-CD2 3.45Å; S22-L110 WeakPolarHBondContact O-CD2 3.45Å |
| 23 | V | 97.4 | Very high | 88.5 | Confident | 49 Ų | 49 | 109 Ų | 109 | 30% | 0.297 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.9 | 165.7 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | T43 L110 | V23-T43 CarbonylContact C-O 3.56Å; V23-T43 VanDerWaalsContact CA-O 3.26Å; V23-T43 WeakPolarHBondContact CA-O 3.38Å; V23-L110 HydrophobicContact CG1-CB 4.16Å; V23-L110 HydrophobicContact CG1-CD2 3.71Å; V23-L110 HydrophobicContact CG1-CG 4.24Å |
| 24 | T | 98 | Very high | 89.3 | Confident | 83 Ų | 83 | 107.6 Ų | 107.6 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.6 | 166.1 | -58.8 | 0 | 0 | 0 | 0 | 107.3 | C42 T43 | T24-C42 CarbonylContact O-C 3.5Å; T24-C42 WeakPolarHBondContact O-CA 3.24Å; T24-T43 PolarHBondContact N-O 3.45Å; T24-T43 PolarHBondContact O-N 2.98Å; T24-T43 PolarHBondContact O-OG1 2.92Å |
| 25 | Q | 98.2 | Very high | 90.3 | Very high | 59 Ų | 59 | 107.6 Ų | 107.6 | 28% | 0.276 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 168.8 | -177.7 | 63.3 | 171.7 | 69.8 | 0 | 0 | 111.9 | E27 N41 Y106 C108 | Q25-E27 PolarHBondContact O-N 2.71Å; Q25-N41 CarbonylContact C-O 3.58Å; Q25-N41 WeakPolarHBondContact CA-O 3.38Å; Q25-N41 WeakPolarHBondContact CB-O 3.43Å; Q25-Y106 PolarHBondContact NE2-O 3.03Å; Q25-Y106 VanDerWaalsContact NE2-O 3.09Å; Q25-C108 HydrophobicContact CB-CB 4.3Å |
| 26 | T | 98 | Very high | 91.6 | Very high | 42 Ų | 42 | 100 Ų | 100 | 26% | 0.258 | 55% | 0.554 | S | S | . | * | trans | -52.4 | 122.7 | 169.6 | -62.1 | 0 | 0 | 0 | 0 | 110 | V30 L40 N41 | T26-V30 HydrophobicContact CG2-CG2 3.82Å; T26-L40 HydrophobicContact CG2-CD2 4.37Å; T26-N41 PolarHBondContact N-O 3.18Å; T26-N41 PolarHBondContact OG1-N 2.92Å | ||
| 27 | E | 94.6 | Very high | 92.9 | Very high | 173 Ų | 173 | 92.9 Ų | 92.9 | 81% | 0.808 | 54% | 0.542 | S | S | * | . | trans | -92.8 | 150.7 | -179.9 | -63 | -174.4 | 174.5 | 0 | 0 | 111.8 | Q25 | Q25-E27 PolarHBondContact O-N 2.71Š| ||
| 28 | G | 95.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 82.3 Ų | 82.3 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 76.3 | 178.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 29 | P | 96.4 | Very high | 95.5 | Very high | 128 Ų | 128 | 79.6 Ų | 79.6 | 83% | 0.831 | 49% | 0.486 | S | S | * | . | trans | -73 | 134.7 | 179.9 | 29.3 | -33.1 | 0 | 0 | 0 | 111.2 | ||||
| 30 | V | 97.6 | Very high | 96.7 | Very high | 69 Ų | 69 | 74.9 Ų | 74.9 | 42% | 0.418 | 45% | 0.452 | S | S | . | . | trans | -105 | 121 | 169.9 | 177.4 | 0 | 0 | 0 | 0 | 108 | T26 L32 L38 L40 | T26-V30 HydrophobicContact CG2-CG2 3.82Å; V30-L32 HydrophobicContact CG1-CD1 4.09Å; V30-L32 HydrophobicContact CG1-CD2 4.45Å; V30-L32 HydrophobicContact CG1-CG 3.95Å; V30-L38 HydrophobicContact CG1-CD1 4.04Å; V30-L40 HydrophobicContact CB-CD2 4.39Å; V30-L40 HydrophobicContact CG2-CD2 3.84Å | ||
| 31 | T | 97.8 | Very high | 97.3 | Very high | 131 Ų | 131 | 75.8 Ų | 75.8 | 80% | 0.804 | 44% | 0.442 | S | S | * | . | trans | -117.2 | 121.8 | 177.9 | -56 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 32 | L | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | trans | -130.9 | 148 | -177.4 | -63.2 | 173.5 | 0 | 0 | 0 | 109.8 | V30 A36 L38 V98 | V30-L32 HydrophobicContact CG1-CD1 4.09Å; V30-L32 HydrophobicContact CG1-CD2 4.45Å; V30-L32 HydrophobicContact CG1-CG 3.95Å; L32-A36 HydrophobicContact CB-CB 4.16Å; L32-L38 HydrophobicContact CD1-CB 3.84Å; L32-L38 HydrophobicContact CD1-CD1 3.61Å; L32-L38 HydrophobicContact CD1-CG 4.36Å; L32-V98 HydrophobicContact CB-CG2 4.33Å | ||
| 33 | P | 97.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 73.2 Ų | 73.2 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | trans | -68.6 | 154.6 | 169.9 | 28.3 | -30.3 | 0 | 0 | 0 | 110.6 | A36 V98 | P33-A36 HydrophobicContact CG-CB 4.02Å; P33-A36 WeakPolarHBondContact O-CB 3.39Å; P33-A36 PolarHBondContact O-N 2.79Å; P33-V98 WeakPolarHBondContact O-CG2 3.22Å | ||
| 34 | E | 97.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 72.5 Ų | 72.5 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 145.1 | 172.9 | -158.5 | -168.5 | 154.5 | 0 | 0 | 110.1 | A36 | E34-A36 PolarHBondContact O-N 2.92Š|
| 35 | R | 97.7 | Very high | 97.5 | Very high | 148 Ų | 148 | 75.2 Ų | 75.2 | 56% | 0.558 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | -0.9 | -177.1 | -45.4 | -61.5 | 167.6 | 174.2 | -10.2 | 115.9 | S97 V98 | R35-S97 VanDerWaalsContact CD-OG 3.3Å; R35-S97 WeakPolarHBondContact CD-OG 3.22Å; R35-V98 PolarHBondContact N-O 3.16Å |
| 36 | A | 98.5 | Very high | 97.2 | Very high | 24 Ų | 24 | 74 Ų | 74 | 20% | 0.198 | 42% | 0.424 | C | S | . | . | trans | -67.4 | 154.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L32 P33 E34 S97 V98 | L32-A36 HydrophobicContact CB-CB 4.16Å; P33-A36 HydrophobicContact CG-CB 4.02Å; P33-A36 WeakPolarHBondContact O-CB 3.39Å; P33-A36 PolarHBondContact O-N 2.79Å; E34-A36 PolarHBondContact O-N 2.92Å; A36-S97 CarbonylContact O-C 3.6Å; A36-S97 WeakPolarHBondContact O-CA 3.4Å; A36-V98 HydrophobicContact CB-CG2 4.38Å; A36-V98 WeakPolarHBondContact O-CG2 3.36Å; A36-V98 PolarHBondContact O-N 3.03Å | ||
| 37 | A | 98.4 | Very high | 96.8 | Very high | 69 Ų | 69 | 76.7 Ų | 76.7 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | trans | -77.3 | 137.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | K95 | A37-K95 CarbonylContact C-O 3.58Å; A37-K95 WeakPolarHBondContact CA-O 3.41Å | ||
| 38 | L | 98.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 77.3 Ų | 77.3 | 7% | 0.073 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.3 | 173.3 | 169.5 | 72 | 0 | 0 | 0 | 109.6 | V30 L32 L40 F80 E94 K95 V98 | V30-L38 HydrophobicContact CG1-CD1 4.04Å; L32-L38 HydrophobicContact CD1-CB 3.84Å; L32-L38 HydrophobicContact CD1-CD1 3.61Å; L32-L38 HydrophobicContact CD1-CG 4.36Å; L38-L40 HydrophobicContact CD1-CD2 3.81Å; L38-L40 HydrophobicContact CD1-CG 3.92Å; L38-L40 HydrophobicContact CD2-CG 4.36Å; L38-L40 HydrophobicContact CG-CG 4.25Å; L38-F80 HydrophobicContact CD2-CE1 4.02Å; L38-E94 CarbonylContact O-C 3.58Å; L38-E94 VanDerWaalsContact O-CA 3.29Å; L38-E94 WeakPolarHBondContact O-CA 3.21Å; L38-K95 HydrophobicContact CB-CB 4.17Å; L38-K95 HydrophobicContact CD2-CB 4.41Å; L38-K95 PolarHBondContact N-O 2.62Å; L38-K95 PolarHBondContact O-N 3.19Å; L38-V98 HydrophobicContact CB-CG1 3.47Å; L38-V98 VanDerWaalsContact CB-CG1 3.47Å; L38-V98 HydrophobicContact CD2-CG1 4.21Å; L38-V98 HydrophobicContact CG-CG1 4.43Å |
| 39 | T | 98.3 | Very high | 95.9 | Very high | 70 Ų | 70 | 80.4 Ų | 80.4 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122.3 | 162.6 | -55.4 | 0 | 0 | 0 | 0 | 108.2 | H92 L93 E94 | T39-H92 HydrophobicContact CG2-CB 4.39Å; T39-L93 CarbonylContact C-O 3.56Å; T39-L93 WeakPolarHBondContact CA-O 3.45Å; T39-E94 HydrophobicContact CG2-CG 4.32Å |
| 40 | L | 98.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 75.1 Ų | 75.1 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.2 | 166.7 | -60.1 | 179.7 | 0 | 0 | 0 | 108.4 | T26 V30 L38 W54 H92 L93 Y106 | T26-L40 HydrophobicContact CG2-CD2 4.37Å; V30-L40 HydrophobicContact CB-CD2 4.39Å; V30-L40 HydrophobicContact CG2-CD2 3.84Å; L38-L40 HydrophobicContact CD1-CD2 3.81Å; L38-L40 HydrophobicContact CD1-CG 3.92Å; L38-L40 HydrophobicContact CD2-CG 4.36Å; L38-L40 HydrophobicContact CG-CG 4.25Å; L40-W54 HydrophobicContact CB-CH2 3.75Å; L40-W54 HydrophobicContact CB-CZ2 4.28Å; L40-W54 HydrophobicContact CB-CZ3 4.4Å; L40-W54 HydrophobicContact CD1-CH2 4.47Å; L40-W54 HydrophobicContact CD1-CZ3 4.32Å; L40-H92 CarbonylContact O-C 3.45Å; L40-H92 WeakPolarHBondContact O-CA 2.97Å; L40-L93 HydrophobicContact CB-CB 4.26Å; L40-L93 HydrophobicContact CD1-CD2 4.27Å; L40-L93 PolarHBondContact N-O 3.27Å; L40-L93 PolarHBondContact O-N 3.23Å; L40-Y106 HydrophobicContact CD1-CD2 4.05Å; L40-Y106 HydrophobicContact CD1-CG 3.84Å |
| 41 | N | 98.4 | Very high | 95.4 | Very high | 80 Ų | 80 | 77.2 Ų | 77.2 | 43% | 0.428 | 42% | 0.422 | S | S | . | . | trans | -73.4 | 142 | 179.4 | -64.5 | -19.7 | 0 | 0 | 0 | 109 | Q25 T26 | Q25-N41 CarbonylContact C-O 3.58Å; Q25-N41 WeakPolarHBondContact CA-O 3.38Å; Q25-N41 WeakPolarHBondContact CB-O 3.43Å; T26-N41 PolarHBondContact N-O 3.18Å; T26-N41 PolarHBondContact OG1-N 2.92Å | ||
| 42 | C | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 123.4 | 166.2 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | T24 W54 S90 F91 H92 C108 | T24-C42 CarbonylContact O-C 3.5Å; T24-C42 WeakPolarHBondContact O-CA 3.24Å; C42-W54 HydrophobicContact CB-CH2 4.09Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; C42-S90 VanDerWaalsContact O-CA 3.3Å; C42-S90 WeakPolarHBondContact O-CA 3.22Å; C42-S90 WeakPolarHBondContact O-CB 3.49Å; C42-F91 PolarHBondContact O-N 2.84Å; C42-H92 PolarHBondContact N-ND1 2.95Å; C42-H92 PolarHBondContact O-CE1 3.2Å; C42-H92 VanDerWaalsContact O-CE1 3.3Å; C42-H92 PolarHBondContact O-ND1 3Å; C42-C108 HydrophobicContact CB-CB 3.54Å; C42-C108 WeakPolarHBondContact CB-SG 3.4Å; C42-C108 WeakPolarHBondContact SG-CB 3.41Å; C42-C108 CovalentContact SG-SG 2.01Å; C42-C108 PolarHBondContact SG-SG 3.1Å |
| 43 | T | 97.9 | Very high | 95.3 | Very high | 57 Ų | 57 | 69 Ų | 69 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 159.7 | 168.4 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | V23 T24 S89 | V23-T43 CarbonylContact C-O 3.56Å; V23-T43 VanDerWaalsContact CA-O 3.26Å; V23-T43 WeakPolarHBondContact CA-O 3.38Å; T24-T43 PolarHBondContact N-O 3.45Å; T24-T43 PolarHBondContact O-N 2.98Å; T24-T43 PolarHBondContact O-OG1 2.92Å; T43-S89 CarbonylContact C-O 3.55Å; T43-S89 WeakPolarHBondContact CA-O 3.29Å |
| 44 | Y | 96.5 | Very high | 95.4 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.6 | 179.8 | 68.8 | -86.4 | 0 | 0 | 0 | 112.1 | S22 T50 L52 S89 | S22-Y44 CarbonylContact O-C 3.58Å; S22-Y44 WeakPolarHBondContact O-CA 2.97Å; S22-Y44 WeakPolarHBondContact O-CB 3.39Å; Y44-T50 HydrophobicContact CD2-CG2 3.8Å; Y44-T50 HydrophobicContact CE2-CG2 3.64Å; Y44-L52 HydrophobicContact CD1-CD1 3.6Å; Y44-L52 HydrophobicContact CD1-CD2 3.51Å; Y44-L52 HydrophobicContact CD1-CG 4.18Å; Y44-L52 HydrophobicContact CD2-CD2 4.35Å; Y44-L52 HydrophobicContact CE1-CD1 3.33Å; Y44-L52 HydrophobicContact CE1-CD2 4.01Å; Y44-L52 HydrophobicContact CE1-CG 4.22Å; Y44-L52 HydrophobicContact CG-CD2 3.72Å; Y44-S89 WeakPolarHBondContact CD1-O 3.36Å; Y44-S89 VanDerWaalsContact CE1-CA 3.43Å; Y44-S89 WeakPolarHBondContact CE1-O 3.02Å; Y44-S89 PolarHBondContact N-O 3.41Å; Y44-S89 WeakPolarHBondContact O-CB 3.47Å |
| 45 | Q | 95.6 | Very high | 95.4 | Very high | 140 Ų | 140 | 63.5 Ų | 63.5 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.8 | 169 | -61.4 | -172.9 | -42.6 | 0 | 0 | 107.3 | D21 S22 | D21-Q45 CarbonylContact C-O 3.59Å; D21-Q45 WeakPolarHBondContact CA-O 3.06Å; D21-Q45 WeakPolarHBondContact CB-O 3.45Å; S22-Q45 PolarHBondContact N-O 3.06Å; S22-Q45 PolarHBondContact O-N 2.84Å |
| 46 | S | 92.7 | Very high | 95.5 | Very high | 33 Ų | 33 | 56.5 Ų | 56.5 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | trans | -143.7 | 147.4 | 172.2 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | D21 Y48 | D21-S46 VanDerWaalsContact CG-CB 3.49Å; D21-S46 WeakPolarHBondContact OD1-CA 3.33Å; D21-S46 PolarHBondContact OD1-OG 3.16Å; D21-S46 VanDerWaalsContact OD2-CB 3.31Å; D21-S46 WeakPolarHBondContact OD2-CB 3.46Å; D21-S46 PolarHBondContact OD2-OG 2.93Å; S46-Y48 VanDerWaalsContact C-N 3.29Å; S46-Y48 PolarHBondContact OG-N 2.95Å; S46-Y48 PolarHBondContact OG-O 2.76Å | ||
| 47 | S | 88.2 | Confident | 95.5 | Very high | 100 Ų | 100 | 57.9 Ų | 57.9 | 70% | 0.699 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -84 | -7.2 | 174 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 48 | Y | 85.3 | Confident | 95.4 | Very high | 186 Ų | 186 | 57.3 Ų | 57.3 | 73% | 0.729 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -127.4 | 166.5 | -174 | -54.6 | -74 | 0 | 0 | 0 | 111.1 | S46 T50 | S46-Y48 VanDerWaalsContact C-N 3.29Å; S46-Y48 PolarHBondContact OG-N 2.95Å; S46-Y48 PolarHBondContact OG-O 2.76Å; Y48-T50 PolarHBondContact O-N 2.75Å |
| 49 | S | 85.6 | Confident | 95.3 | Very high | 124 Ų | 124 | 63.8 Ų | 63.8 | 87% | 0.867 | 33% | 0.329 | S | S | * | . | trans | -64.4 | 119.8 | 165.8 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 50 | T | 89.7 | Confident | 95.2 | Very high | 17 Ų | 17 | 67.7 Ų | 67.7 | 10% | 0.104 | 35% | 0.347 | C | S | . | . | trans | -118.6 | 154.4 | -176.5 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | Y44 Y48 L52 L110 R111 | Y44-T50 HydrophobicContact CD2-CG2 3.8Å; Y44-T50 HydrophobicContact CE2-CG2 3.64Å; Y48-T50 PolarHBondContact O-N 2.75Å; T50-L52 HydrophobicContact CG2-CD2 4.08Å; T50-L52 HydrophobicContact CG2-CG 4.45Å; T50-L110 HydrophobicContact CG2-CB 4.35Å; T50-R111 WeakPolarHBondContact CA-O 3.21Å; T50-R111 WeakPolarHBondContact CB-O 3.18Å; T50-R111 VanDerWaalsContact OG1-C 3.22Å; T50-R111 PolarHBondContact OG1-N 3.13Å; T50-R111 PolarHBondContact OG1-O 3.36Å | ||
| 51 | F | 94 | Very high | 95.2 | Very high | 114 Ų | 114 | 73.1 Ų | 73.1 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | trans | -91.1 | 136.6 | 165.8 | -66.6 | -76.7 | 0 | 0 | 0 | 109.6 | F53 L110 R111 | F51-F53 HydrophobicContact CB-CE2 3.56Å; F51-F53 HydrophobicContact CB-CZ 3.57Å; F51-F53 WeakPolarHBondContact O-CD2 3.24Å; F51-F53 VanDerWaalsContact O-CE2 3.22Å; F51-F53 WeakPolarHBondContact O-CE2 3.28Å; F51-L110 CarbonylContact O-C 3.54Å; F51-L110 VanDerWaalsContact O-CA 3.28Å; F51-L110 WeakPolarHBondContact O-CA 3.42Å; F51-R111 PolarHBondContact N-O 3.31Å; F51-R111 PolarHBondContact O-N 3.3Å | ||
| 52 | L | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.6 | 178.5 | -56.3 | 161.4 | 0 | 0 | 0 | 109.5 | Y44 T50 K68 S69 F91 A109 L110 | Y44-L52 HydrophobicContact CD1-CD1 3.6Å; Y44-L52 HydrophobicContact CD1-CD2 3.51Å; Y44-L52 HydrophobicContact CD1-CG 4.18Å; Y44-L52 HydrophobicContact CD2-CD2 4.35Å; Y44-L52 HydrophobicContact CE1-CD1 3.33Å; Y44-L52 HydrophobicContact CE1-CD2 4.01Å; Y44-L52 HydrophobicContact CE1-CG 4.22Å; Y44-L52 HydrophobicContact CG-CD2 3.72Å; T50-L52 HydrophobicContact CG2-CD2 4.08Å; T50-L52 HydrophobicContact CG2-CG 4.45Å; L52-K68 CarbonylContact O-C 3.54Å; L52-K68 WeakPolarHBondContact O-CA 3.3Å; L52-S69 PolarHBondContact N-OG 3.45Å; L52-S69 PolarHBondContact O-N 3.22Å; L52-S69 PolarHBondContact O-OG 3.2Å; L52-F91 HydrophobicContact CB-CB 4.05Å; L52-F91 HydrophobicContact CB-CD1 3.52Å; L52-F91 HydrophobicContact CB-CE1 4.13Å; L52-F91 HydrophobicContact CB-CG 3.91Å; L52-F91 HydrophobicContact CD1-CB 3.52Å; L52-F91 HydrophobicContact CD1-CG 4.08Å; L52-F91 HydrophobicContact CG-CB 4.34Å; L52-A109 CarbonylContact C-O 3.56Å; L52-A109 WeakPolarHBondContact CA-O 3.39Å; L52-L110 HydrophobicContact CD2-CB 3.76Å |
| 53 | F | 98 | Very high | 95.2 | Very high | 27 Ų | 27 | 79.7 Ų | 79.7 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.5 | -174.8 | -54.6 | -94 | 0 | 0 | 0 | 109.8 | F51 Y55 L65 L67 K68 C108 A109 R111 | F51-F53 HydrophobicContact CB-CE2 3.56Å; F51-F53 HydrophobicContact CB-CZ 3.57Å; F51-F53 WeakPolarHBondContact O-CD2 3.24Å; F51-F53 VanDerWaalsContact O-CE2 3.22Å; F51-F53 WeakPolarHBondContact O-CE2 3.28Å; F53-Y55 HydrophobicContact CB-CD2 4.13Å; F53-Y55 HydrophobicContact CB-CE2 3.56Å; F53-Y55 HydrophobicContact CG-CE2 4.25Å; F53-L65 HydrophobicContact CB-CD1 4.25Å; F53-L65 HydrophobicContact CD1-CD1 3.8Å; F53-L65 HydrophobicContact CG-CD1 4.5Å; F53-L67 CarbonylContact C-O 3.59Å; F53-L67 WeakPolarHBondContact CA-O 3.4Å; F53-K68 HydrophobicContact CD1-CB 3.9Å; F53-K68 HydrophobicContact CD1-CD 4.46Å; F53-K68 HydrophobicContact CD1-CG 3.85Å; F53-K68 HydrophobicContact CE1-CB 4.05Å; F53-K68 HydrophobicContact CE1-CD 3.74Å; F53-K68 HydrophobicContact CE1-CG 3.53Å; F53-K68 HydrophobicContact CZ-CD 4.45Å; F53-K68 HydrophobicContact CZ-CG 4.29Å; F53-C108 CarbonylContact O-C 3.58Å; F53-C108 WeakPolarHBondContact O-CA 3.33Å; F53-A109 HydrophobicContact CB-CB 4.5Å; F53-A109 PolarHBondContact N-O 2.96Å; F53-A109 PolarHBondContact O-N 3.37Å; F53-R111 HydrophobicContact CE2-CB 3.79Å; F53-R111 HydrophobicContact CZ-CB 4.49Å |
| 54 | W | 98.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 81 Ų | 81 | 0% | 0.004 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.6 | 159.5 | -80.2 | 99.5 | 0 | 0 | 0 | 108.9 | L40 C42 L66 L67 F91 L93 Y107 C108 | L40-W54 HydrophobicContact CB-CH2 3.75Å; L40-W54 HydrophobicContact CB-CZ2 4.28Å; L40-W54 HydrophobicContact CB-CZ3 4.4Å; L40-W54 HydrophobicContact CD1-CH2 4.47Å; L40-W54 HydrophobicContact CD1-CZ3 4.32Å; C42-W54 HydrophobicContact CB-CH2 4.09Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; W54-L66 HydrophobicContact CB-CB 4.25Å; W54-L66 HydrophobicContact CB-CD2 4.28Å; W54-L66 WeakPolarHBondContact O-CA 3.37Å; W54-L66 VanDerWaalsContact O-CB 3.32Å; W54-L66 WeakPolarHBondContact O-CB 3.45Å; W54-L66 PolarHBondContact O-N 3.24Å; W54-L67 HydrophobicContact CB-CB 4.36Å; W54-L67 PolarHBondContact N-O 3.46Å; W54-L67 PolarHBondContact O-N 2.98Å; W54-F91 AromaticContact CD1-CD1 3.64Å; W54-F91 AromaticContact CD1-CE1 3.66Å; W54-F91 AromaticContact NE1-CD1 3.78Å; W54-F91 PolarHBondContact NE1-O 2.94Å; W54-L93 HydrophobicContact CB-CD1 4.25Å; W54-L93 HydrophobicContact CD2-CB 3.79Å; W54-L93 HydrophobicContact CD2-CD1 4.4Å; W54-L93 HydrophobicContact CD2-CD2 4.07Å; W54-L93 HydrophobicContact CD2-CG 4.32Å; W54-L93 VanDerWaalsContact CE2-CB 3.46Å; W54-L93 HydrophobicContact CE3-CB 4.35Å; W54-L93 HydrophobicContact CE3-CD2 4.07Å; W54-L93 HydrophobicContact CG-CB 4.14Å; W54-L93 HydrophobicContact CG-CD1 3.95Å; W54-L93 HydrophobicContact CG-CD2 4.33Å; W54-L93 HydrophobicContact CG-CG 4.38Å; W54-L93 HydrophobicContact CH2-CB 4.27Å; W54-L93 HydrophobicContact CZ2-CB 3.71Å; W54-Y107 CarbonylContact C-O 3.5Å; W54-Y107 WeakPolarHBondContact CA-O 3.48Å; W54-Y107 VanDerWaalsContact CE3-C 3.43Å; W54-C108 HydrophobicContact CD2-CB 4.23Å; W54-C108 HydrophobicContact CE3-CB 4.16Å; W54-C108 HydrophobicContact CH2-CB 3.83Å; W54-C108 HydrophobicContact CZ2-CB 3.88Å; W54-C108 HydrophobicContact CZ3-CB 3.95Å |
| 55 | Y | 98.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 83.8 Ų | 83.8 | 30% | 0.298 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146.6 | 169 | -67 | -96.2 | 0 | 0 | 0 | 109.2 | F53 P63 E64 L65 Y106 Y107 A109 | F53-Y55 HydrophobicContact CB-CD2 4.13Å; F53-Y55 HydrophobicContact CB-CE2 3.56Å; F53-Y55 HydrophobicContact CG-CE2 4.25Å; Y55-P63 HydrophobicContact CD1-CB 4.35Å; Y55-E64 CarbonylContact C-O 3.46Å; Y55-E64 WeakPolarHBondContact CA-O 3.47Å; Y55-L65 HydrophobicContact CD1-CB 4.4Å; Y55-L65 HydrophobicContact CE1-CB 4.13Å; Y55-L65 HydrophobicContact CE1-CD1 4.19Å; Y55-Y106 CarbonylContact O-C 3.59Å; Y55-Y106 WeakPolarHBondContact O-CA 3.25Å; Y55-Y107 PolarHBondContact N-O 2.91Å; Y55-Y107 PolarHBondContact O-N 2.78Å; Y55-A109 HydrophobicContact CD2-CB 4.37Å; Y55-A109 HydrophobicContact CE2-CB 4.17Å |
| 56 | V | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.4 | 172 | 60.2 | 0 | 0 | 0 | 0 | 109 | Y58 E64 L66 A104 V105 Y106 | V56-Y58 HydrophobicContact CG1-CE2 4.25Å; V56-Y58 HydrophobicContact CG2-CE1 4.38Å; V56-Y58 HydrophobicContact CG2-CE2 4.12Å; V56-E64 HydrophobicContact CG1-CB 4.4Å; V56-E64 PolarHBondContact N-O 2.95Å; V56-E64 PolarHBondContact O-N 2.95Å; V56-L66 HydrophobicContact CB-CB 4.38Å; V56-L66 HydrophobicContact CB-CD2 4.39Å; V56-L66 HydrophobicContact CG1-CB 4.13Å; V56-L66 HydrophobicContact CG1-CD1 4.44Å; V56-A104 HydrophobicContact CG2-CB 3.51Å; V56-V105 CarbonylContact C-O 3.54Å; V56-V105 WeakPolarHBondContact CA-O 3.38Å; V56-Y106 HydrophobicContact CB-CD1 4.04Å; V56-Y106 HydrophobicContact CB-CE1 3.85Å; V56-Y106 HydrophobicContact CG2-CD1 4.05Å; V56-Y106 HydrophobicContact CG2-CE1 3.55Å; V56-Y106 HydrophobicContact CG2-CE2 4.4Å |
| 57 | Q | 98.4 | Very high | 95.5 | Very high | 54 Ų | 54 | 76.5 Ų | 76.5 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 110.6 | 177.7 | -172.1 | 179.9 | 24 | 0 | 0 | 109.7 | K61 P63 A104 V105 Y107 | Q57-K61 VanDerWaalsContact CG-O 3.25Å; Q57-K61 WeakPolarHBondContact CG-O 3.09Å; Q57-K61 PolarHBondContact NE2-O 3.38Å; Q57-P63 HydrophobicContact CB-CB 4.46Å; Q57-P63 HydrophobicContact CB-CG 4.37Å; Q57-P63 HydrophobicContact CG-CG 4.3Å; Q57-A104 WeakPolarHBondContact O-CB 3.21Å; Q57-V105 HydrophobicContact CB-CB 4.47Å; Q57-V105 PolarHBondContact N-O 3.3Å; Q57-V105 PolarHBondContact O-N 3.32Å; Q57-Y107 HydrophobicContact CB-CD2 4.46Å; Q57-Y107 HydrophobicContact CB-CE2 3.84Å; Q57-Y107 PolarHBondContact OE1-OH 3.3Å; Q57-Y107 VanDerWaalsContact OE1-OH 3.14Å |
| 58 | Y | 97.6 | Very high | 96 | Very high | 57 Ų | 57 | 76.4 Ų | 76.4 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | trans | -77.6 | 160.1 | 171.6 | -62.2 | -75.4 | 0 | 0 | 0 | 111.1 | V56 N60 K61 R78 S101 A104 | V56-Y58 HydrophobicContact CG1-CE2 4.25Å; V56-Y58 HydrophobicContact CG2-CE1 4.38Å; V56-Y58 HydrophobicContact CG2-CE2 4.12Å; Y58-N60 PolarHBondContact O-N 2.84Å; Y58-K61 WeakPolarHBondContact O-CB 3.48Å; Y58-K61 PolarHBondContact O-N 3.04Å; Y58-R78 PolarHBondContact OH-NH1 2.82Å; Y58-S101 WeakPolarHBondContact CE1-O 3.37Å; Y58-A104 HydrophobicContact CD1-CB 3.74Å; Y58-A104 HydrophobicContact CE1-CB 3.87Å; Y58-A104 HydrophobicContact CG-CB 4.42Å | ||
| 59 | L | 96.2 | Very high | 96.4 | Very high | 149 Ų | 149 | 68.2 Ų | 68.2 | 78% | 0.78 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 126.9 | -180 | -175.9 | 65.3 | 0 | 0 | 0 | 111.1 | K61 | L59-K61 PolarHBondContact O-N 3.05Š|
| 60 | N | 96.6 | Very high | 96.8 | Very high | 153 Ų | 153 | 64.5 Ų | 64.5 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23.7 | -178.6 | -52.2 | -41.4 | 0 | 0 | 0 | 114.7 | Y58 | Y58-N60 PolarHBondContact O-N 2.84Š|
| 61 | K | 97.9 | Very high | 96.6 | Very high | 130 Ų | 130 | 71.8 Ų | 71.8 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -115 | 161.9 | 173.6 | -61.2 | -62.6 | -175.4 | 175.5 | 0 | 110.8 | Q57 Y58 L59 | Q57-K61 VanDerWaalsContact CG-O 3.25Å; Q57-K61 WeakPolarHBondContact CG-O 3.09Å; Q57-K61 PolarHBondContact NE2-O 3.38Å; Y58-K61 WeakPolarHBondContact O-CB 3.48Å; Y58-K61 PolarHBondContact O-N 3.04Å; L59-K61 PolarHBondContact O-N 3.05Å |
| 62 | E | 97.8 | Very high | 96.4 | Very high | 152 Ų | 152 | 72.1 Ų | 72.1 | 71% | 0.71 | 36% | 0.356 | S | S | * | . | trans | -75.3 | 156.8 | 169.7 | 62 | -168.9 | 175.8 | 0 | 0 | 110.9 | E64 | E62-E64 PolarHBondContact O-N 3.09Š| ||
| 63 | P | 98.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | trans | -63.4 | 128.7 | 172.7 | -22.1 | 33.9 | 0 | 0 | 0 | 111.7 | Y55 Q57 | Y55-P63 HydrophobicContact CD1-CB 4.35Å; Q57-P63 HydrophobicContact CB-CB 4.46Å; Q57-P63 HydrophobicContact CB-CG 4.37Å; Q57-P63 HydrophobicContact CG-CG 4.3Å | ||
| 64 | E | 97.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 78.3 Ų | 78.3 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142.3 | 176.6 | -65.7 | 173.3 | -169.8 | 0 | 0 | 109.7 | Y55 V56 E62 L66 | Y55-E64 CarbonylContact C-O 3.46Å; Y55-E64 WeakPolarHBondContact CA-O 3.47Å; V56-E64 HydrophobicContact CG1-CB 4.4Å; V56-E64 PolarHBondContact N-O 2.95Å; V56-E64 PolarHBondContact O-N 2.95Å; E62-E64 PolarHBondContact O-N 3.09Å; E64-L66 PolarHBondContact O-N 3.24Å |
| 65 | L | 97.2 | Very high | 95.7 | Very high | 93 Ų | 93 | 81.9 Ų | 81.9 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 123.1 | 174.7 | 179.4 | 65.1 | 0 | 0 | 0 | 109.5 | F53 Y55 L67 | F53-L65 HydrophobicContact CB-CD1 4.25Å; F53-L65 HydrophobicContact CD1-CD1 3.8Å; F53-L65 HydrophobicContact CG-CD1 4.5Å; Y55-L65 HydrophobicContact CD1-CB 4.4Å; Y55-L65 HydrophobicContact CE1-CB 4.13Å; Y55-L65 HydrophobicContact CE1-CD1 4.19Å; L65-L67 WeakPolarHBondContact CD1-O 3.39Å |
| 66 | L | 97.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 79.3 Ų | 79.3 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -55.6 | 177.2 | 176.5 | 62.2 | 0 | 0 | 0 | 110.7 | W54 V56 E64 D76 R78 F80 L93 Y106 | W54-L66 HydrophobicContact CB-CB 4.25Å; W54-L66 HydrophobicContact CB-CD2 4.28Å; W54-L66 WeakPolarHBondContact O-CA 3.37Å; W54-L66 VanDerWaalsContact O-CB 3.32Å; W54-L66 WeakPolarHBondContact O-CB 3.45Å; W54-L66 PolarHBondContact O-N 3.24Å; V56-L66 HydrophobicContact CB-CB 4.38Å; V56-L66 HydrophobicContact CB-CD2 4.39Å; V56-L66 HydrophobicContact CG1-CB 4.13Å; V56-L66 HydrophobicContact CG1-CD1 4.44Å; E64-L66 PolarHBondContact O-N 3.24Å; L66-D76 HydrophobicContact CD1-CB 4.4Å; L66-D76 WeakPolarHBondContact CD1-OD2 2.99Å; L66-R78 VanDerWaalsContact CD1-CZ 3.49Å; L66-F80 HydrophobicContact CD1-CB 4.16Å; L66-F80 HydrophobicContact CD1-CD2 3.84Å; L66-F80 HydrophobicContact CD1-CG 4.12Å; L66-F80 HydrophobicContact CD2-CB 4.29Å; L66-F80 HydrophobicContact CD2-CD1 4.25Å; L66-F80 HydrophobicContact CD2-CD2 4.37Å; L66-F80 HydrophobicContact CD2-CG 4.05Å; L66-F80 HydrophobicContact CG-CB 4.42Å; L66-L93 HydrophobicContact CD2-CD1 3.87Å; L66-L93 HydrophobicContact CD2-CD2 3.66Å; L66-L93 HydrophobicContact CD2-CG 4.41Å; L66-Y106 HydrophobicContact CD2-CD1 3.75Å; L66-Y106 HydrophobicContact CD2-CE1 3.65Å |
| 67 | L | 97.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 85.5 Ų | 85.5 | 5% | 0.047 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.8 | 179.6 | -69.5 | 174.8 | 0 | 0 | 0 | 110.5 | F53 W54 L65 E74 D76 F80 A82 L93 | F53-L67 CarbonylContact C-O 3.59Å; F53-L67 WeakPolarHBondContact CA-O 3.4Å; W54-L67 HydrophobicContact CB-CB 4.36Å; W54-L67 PolarHBondContact N-O 3.46Å; W54-L67 PolarHBondContact O-N 2.98Å; L65-L67 WeakPolarHBondContact CD1-O 3.39Å; L67-E74 HydrophobicContact CD2-CB 4.02Å; L67-D76 HydrophobicContact CD2-CB 3.81Å; L67-F80 HydrophobicContact CD1-CB 4.4Å; L67-A82 HydrophobicContact CD1-CB 3.68Å; L67-L93 HydrophobicContact CD1-CD1 3.56Å; L67-L93 HydrophobicContact CG-CD1 4.5Å |
| 68 | K | 96.9 | Very high | 95.2 | Very high | 98 Ų | 98 | 86.4 Ų | 86.4 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.2 | 171 | 172.7 | -175.1 | 179.1 | -172.4 | 0 | 108 | L52 F53 S70 E74 | L52-K68 CarbonylContact O-C 3.54Å; L52-K68 WeakPolarHBondContact O-CA 3.3Å; F53-K68 HydrophobicContact CD1-CB 3.9Å; F53-K68 HydrophobicContact CD1-CD 4.46Å; F53-K68 HydrophobicContact CD1-CG 3.85Å; F53-K68 HydrophobicContact CE1-CB 4.05Å; F53-K68 HydrophobicContact CE1-CD 3.74Å; F53-K68 HydrophobicContact CE1-CG 3.53Å; F53-K68 HydrophobicContact CZ-CD 4.45Å; F53-K68 HydrophobicContact CZ-CG 4.29Å; K68-S70 PolarHBondContact O-N 2.51Å; K68-E74 WeakPolarHBondContact O-CG 3.12Å |
| 69 | S | 95.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 85 Ų | 85 | 9% | 0.091 | 45% | 0.446 | C | S | . | . | trans | -60.1 | 135.5 | 178.3 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | L52 | L52-S69 PolarHBondContact N-OG 3.45Å; L52-S69 PolarHBondContact O-N 3.22Å; L52-S69 PolarHBondContact O-OG 3.2Å | ||
| 70 | S | 92.6 | Very high | 95.3 | Very high | 46 Ų | 46 | 77.9 Ų | 77.9 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | trans | -120.9 | -165.8 | 164 | 78.6 | 0 | 0 | 0 | 0 | 110.5 | K68 N72 E74 P84 | K68-S70 PolarHBondContact O-N 2.51Å; S70-N72 VanDerWaalsContact C-N 3.26Å; S70-N72 PolarHBondContact OG-N 2.93Å; S70-N72 PolarHBondContact OG-O 3.18Å; S70-E74 WeakPolarHBondContact CB-OE1 3.38Å; S70-E74 PolarHBondContact OG-OE1 3.21Å; S70-P84 WeakPolarHBondContact O-CG 3.21Å | ||
| 71 | E | 86.6 | Confident | 95.4 | Very high | 171 Ų | 171 | 72.7 Ų | 72.7 | 80% | 0.799 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -71.5 | -25 | 173.8 | -65.4 | -174.4 | 164 | 0 | 0 | 112.8 | ||
| 72 | N | 89 | Confident | 95.4 | Very high | 120 Ų | 120 | 66.5 Ų | 66.5 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -112.2 | 177.3 | -176 | -63.4 | -49.2 | 0 | 0 | 0 | 110.9 | S70 E74 | S70-N72 VanDerWaalsContact C-N 3.26Å; S70-N72 PolarHBondContact OG-N 2.93Å; S70-N72 PolarHBondContact OG-O 3.18Å; N72-E74 PolarHBondContact O-N 3.25Å |
| 73 | Q | 91.7 | Very high | 95.3 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | trans | -61 | 133.7 | 169.2 | -176.7 | 175.2 | 63.1 | 0 | 0 | 110.2 | S83 | Q73-S83 WeakPolarHBondContact CB-OG 3.18Å; Q73-S83 VanDerWaalsContact CG-OG 3.24Å; Q73-S83 WeakPolarHBondContact CG-OG 3.01Å; Q73-S83 PolarHBondContact NE2-OG 2.81Å | ||
| 74 | E | 92.4 | Very high | 95.1 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.1 | 174.7 | -70.1 | -70.6 | 153.4 | 0 | 0 | 109.3 | L67 K68 S70 N72 Q81 A82 | L67-E74 HydrophobicContact CD2-CB 4.02Å; K68-E74 WeakPolarHBondContact O-CG 3.12Å; S70-E74 WeakPolarHBondContact CB-OE1 3.38Å; S70-E74 PolarHBondContact OG-OE1 3.21Å; N72-E74 PolarHBondContact O-N 3.25Å; E74-Q81 CarbonylContact O-C 3.52Å; E74-Q81 WeakPolarHBondContact O-CA 3.35Å; E74-A82 PolarHBondContact N-O 3.34Å; E74-A82 PolarHBondContact O-N 3.12Å |
| 75 | T | 95 | Very high | 94.9 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 47% | 0.466 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 128.4 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | F80 Q81 | T75-F80 CarbonylContact C-O 3.54Å; T75-F80 VanDerWaalsContact CA-O 3.28Å; T75-F80 WeakPolarHBondContact CA-O 3.4Å; T75-Q81 HydrophobicContact CG2-CG 3.96Å |
| 76 | D | 95.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | trans | -89.4 | 168.7 | 176.3 | 95.7 | -33.4 | 0 | 0 | 0 | 111.7 | L66 L67 R78 G79 F80 | L66-D76 HydrophobicContact CD1-CB 4.4Å; L66-D76 WeakPolarHBondContact CD1-OD2 2.99Å; L67-D76 HydrophobicContact CD2-CB 3.81Å; D76-R78 VanDerWaalsContact CG-N 3.34Å; D76-R78 PolarHBondContact O-N 3.07Å; D76-R78 VanDerWaalsContact O-N 3.16Å; D76-R78 VanDerWaalsContact OD1-C 3.28Å; D76-R78 WeakPolarHBondContact OD1-CA 3.38Å; D76-R78 WeakPolarHBondContact OD1-CB 2.99Å; D76-R78 PolarHBondContact OD1-N 2.88Å; D76-R78 WeakPolarHBondContact OD2-CB 3.32Å; D76-R78 IonicContact OD2-CZ 2.74Å; D76-R78 IonicContact OD2-NE 2.71Å; D76-R78 PolarHBondContact OD2-NE 2.87Å; D76-R78 IonicContact OD2-NH2 3.31Å; D76-R78 PolarHBondContact OD2-NH2 2.87Å; D76-G79 PolarHBondContact O-N 2.87Å; D76-G79 PolarHBondContact OD1-N 3.41Å; D76-F80 PolarHBondContact N-O 2.79Å; D76-F80 WeakPolarHBondContact OD1-CB 3.41Å; D76-F80 PolarHBondContact OD1-N 2.85Å | ||
| 77 | S | 94.2 | Very high | 94.4 | Very high | 130 Ų | 130 | 66 Ų | 66 | 91% | 0.909 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.9 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 114 | ||
| 78 | R | 95.4 | Very high | 94.2 | Very high | 73 Ų | 73 | 70.6 Ų | 70.6 | 28% | 0.275 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.9 | 176.6 | -60.5 | 172.7 | -75.8 | -153.4 | -16.8 | 112.3 | Y58 L66 D76 F80 K95 | Y58-R78 PolarHBondContact OH-NH1 2.82Å; L66-R78 VanDerWaalsContact CD1-CZ 3.49Å; D76-R78 VanDerWaalsContact CG-N 3.34Å; D76-R78 PolarHBondContact O-N 3.07Å; D76-R78 VanDerWaalsContact O-N 3.16Å; D76-R78 VanDerWaalsContact OD1-C 3.28Å; D76-R78 WeakPolarHBondContact OD1-CA 3.38Å; D76-R78 WeakPolarHBondContact OD1-CB 2.99Å; D76-R78 PolarHBondContact OD1-N 2.88Å; D76-R78 WeakPolarHBondContact OD2-CB 3.32Å; D76-R78 IonicContact OD2-CZ 2.74Å; D76-R78 IonicContact OD2-NE 2.71Å; D76-R78 PolarHBondContact OD2-NE 2.87Å; D76-R78 IonicContact OD2-NH2 3.31Å; D76-R78 PolarHBondContact OD2-NH2 2.87Å; R78-F80 HydrophobicContact CB-CD2 3.93Å; R78-F80 HydrophobicContact CB-CE2 4.2Å; R78-K95 WeakPolarHBondContact O-CE 3.44Å; R78-K95 PolarHBondContact O-NZ 2.9Å |
| 79 | G | 97.2 | Very high | 94.1 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 28% | 0.278 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 83.2 | 14 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D76 | D76-G79 PolarHBondContact O-N 2.87Å; D76-G79 PolarHBondContact OD1-N 3.41Å |
| 80 | F | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -75.9 | 143.5 | 166.6 | -71.5 | -86.4 | 0 | 0 | 0 | 109.9 | L38 L66 L67 T75 D76 R78 L93 E94 K95 D102 Y106 | L38-F80 HydrophobicContact CD2-CE1 4.02Å; L66-F80 HydrophobicContact CD1-CB 4.16Å; L66-F80 HydrophobicContact CD1-CD2 3.84Å; L66-F80 HydrophobicContact CD1-CG 4.12Å; L66-F80 HydrophobicContact CD2-CB 4.29Å; L66-F80 HydrophobicContact CD2-CD1 4.25Å; L66-F80 HydrophobicContact CD2-CD2 4.37Å; L66-F80 HydrophobicContact CD2-CG 4.05Å; L66-F80 HydrophobicContact CG-CB 4.42Å; L67-F80 HydrophobicContact CD1-CB 4.4Å; T75-F80 CarbonylContact C-O 3.54Å; T75-F80 VanDerWaalsContact CA-O 3.28Å; T75-F80 WeakPolarHBondContact CA-O 3.4Å; D76-F80 PolarHBondContact N-O 2.79Å; D76-F80 WeakPolarHBondContact OD1-CB 3.41Å; D76-F80 PolarHBondContact OD1-N 2.85Å; R78-F80 HydrophobicContact CB-CD2 3.93Å; R78-F80 HydrophobicContact CB-CE2 4.2Å; F80-L93 HydrophobicContact CB-CD1 4.02Å; F80-L93 HydrophobicContact CD1-CD1 4.12Å; F80-L93 HydrophobicContact CD1-CD2 3.87Å; F80-L93 HydrophobicContact CD1-CG 3.93Å; F80-L93 HydrophobicContact CE1-CD2 4.25Å; F80-L93 HydrophobicContact CG-CD1 4.46Å; F80-E94 CarbonylContact C-O 3.56Å; F80-E94 WeakPolarHBondContact CA-O 3.26Å; F80-K95 HydrophobicContact CD1-CB 3.89Å; F80-K95 HydrophobicContact CD1-CD 3.97Å; F80-K95 HydrophobicContact CD1-CG 4.48Å; F80-K95 HydrophobicContact CD2-CD 4.18Å; F80-K95 HydrophobicContact CE1-CB 3.95Å; F80-K95 HydrophobicContact CE1-CD 3.59Å; F80-K95 HydrophobicContact CE1-CG 4.4Å; F80-K95 HydrophobicContact CE2-CD 3.8Å; F80-K95 VanDerWaalsContact CE2-NZ 3.35Å; F80-K95 HydrophobicContact CG-CD 4.25Å; F80-K95 HydrophobicContact CZ-CD 3.47Å; F80-K95 VanDerWaalsContact CZ-CD 3.47Å; F80-D102 HydrophobicContact CZ-CB 4.05Å; F80-Y106 HydrophobicContact CD1-CE1 4.46Å; F80-Y106 AromaticContact CE1-CE1 3.81Å; F80-Y106 HydrophobicContact CE1-CE1 3.81Å; F80-Y106 AromaticContact CE1-CZ 3.95Å; F80-Y106 HydrophobicContact CE2-CE1 4.47Å; F80-Y106 AromaticContact CZ-CE1 3.83Å; F80-Y106 HydrophobicContact CZ-CE1 3.83Å; F80-Y106 AromaticContact CZ-CZ 3.72Å; F80-Y106 WeakPolarHBondContact CZ-OH 3.32Å | ||
| 81 | Q | 98.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 65.4 Ų | 65.4 | 21% | 0.21 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.9 | -176.2 | -50.3 | -179.8 | 27.3 | 0 | 0 | 110.1 | E74 T75 E94 | E74-Q81 CarbonylContact O-C 3.52Å; E74-Q81 WeakPolarHBondContact O-CA 3.35Å; T75-Q81 HydrophobicContact CG2-CG 3.96Å; Q81-E94 PolarHBondContact N-O 2.57Å; Q81-E94 PolarHBondContact O-N 3.47Å |
| 82 | A | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 136.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | L67 E74 F91 H92 | L67-A82 HydrophobicContact CD1-CB 3.68Å; E74-A82 PolarHBondContact N-O 3.34Å; E74-A82 PolarHBondContact O-N 3.12Å; A82-F91 HydrophobicContact CB-CD1 4.41Å; A82-F91 HydrophobicContact CB-CD2 3.84Å; A82-F91 HydrophobicContact CB-CE1 4.01Å; A82-F91 HydrophobicContact CB-CE2 3.38Å; A82-F91 HydrophobicContact CB-CG 4.34Å; A82-F91 HydrophobicContact CB-CZ 3.48Å; A82-F91 VanDerWaalsContact CB-CZ 3.48Å; A82-H92 WeakPolarHBondContact CA-O 3.35Å; A82-H92 VanDerWaalsContact CB-O 3.25Å; A82-H92 WeakPolarHBondContact CB-O 3.37Å |
| 83 | S | 95.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | trans | -117.4 | 126.6 | 176.9 | -64 | 0 | 0 | 0 | 0 | 108.9 | Q73 I85 | Q73-S83 WeakPolarHBondContact CB-OG 3.18Å; Q73-S83 VanDerWaalsContact CG-OG 3.24Å; Q73-S83 WeakPolarHBondContact CG-OG 3.01Å; Q73-S83 PolarHBondContact NE2-OG 2.81Å; S83-I85 PolarHBondContact O-N 2.83Å | ||
| 84 | P | 93.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 53 Ų | 53 | 20% | 0.195 | 30% | 0.299 | C | S | . | . | trans | -75.3 | 121.7 | 176.4 | 22 | -19.5 | 0 | 0 | 0 | 110.2 | S70 F91 | S70-P84 WeakPolarHBondContact O-CG 3.21Å; P84-F91 HydrophobicContact CB-CD2 3.95Å; P84-F91 HydrophobicContact CB-CE2 4.39Å; P84-F91 HydrophobicContact CG-CD2 4.41Å; P84-F91 HydrophobicContact CG-CE2 4.39Å | ||
| 85 | I | 94.4 | Very high | 96.1 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 35% | 0.354 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -106.6 | 92.3 | 177.3 | -51.2 | 175.9 | 0 | 0 | 0 | 107.3 | S83 S87 D88 S89 S90 | S83-I85 PolarHBondContact O-N 2.83Å; I85-S87 VanDerWaalsContact C-N 3.29Å; I85-S87 WeakPolarHBondContact CG2-OG 3.34Å; I85-S87 PolarHBondContact O-N 2.82Å; I85-D88 HydrophobicContact CB-CB 4.49Å; I85-D88 HydrophobicContact CG2-CB 3.94Å; I85-D88 PolarHBondContact O-N 2.01Å; I85-S89 PolarHBondContact O-N 3.14Å; I85-S89 VanDerWaalsContact O-N 3.12Å; I85-S90 WeakPolarHBondContact CB-OG 3.48Å; I85-S90 PolarHBondContact N-O 2.93Å; I85-S90 PolarHBondContact O-N 2.84Å; I85-S90 VanDerWaalsContact O-N 3.07Å |
| 86 | K | 91.3 | Very high | 96.2 | Very high | 152 Ų | 152 | 50.5 Ų | 50.5 | 66% | 0.661 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -63.9 | -31.2 | -175 | -66.5 | -178.5 | -178.2 | 175.5 | 0 | 113.3 | D88 S89 | K86-D88 PolarHBondContact O-N 2.81Å; K86-S89 PolarHBondContact O-N 2.8Å |
| 87 | S | 92.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 51.3 Ų | 51.3 | 73% | 0.727 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -64.1 | -30.9 | 178.2 | 58 | 0 | 0 | 0 | 0 | 112.6 | I85 | I85-S87 VanDerWaalsContact C-N 3.29Å; I85-S87 WeakPolarHBondContact CG2-OG 3.34Å; I85-S87 PolarHBondContact O-N 2.82Å |
| 88 | D | 94 | Very high | 96.5 | Very high | 105 Ų | 105 | 45.8 Ų | 45.8 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -109 | 5.3 | -172.6 | -63.1 | 13.1 | 0 | 0 | 0 | 111 | I85 K86 S90 | I85-D88 HydrophobicContact CB-CB 4.49Å; I85-D88 HydrophobicContact CG2-CB 3.94Å; I85-D88 PolarHBondContact O-N 2.01Å; K86-D88 PolarHBondContact O-N 2.81Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.5Å |
| 89 | S | 95.8 | Very high | 96.7 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 53.9 | -171.7 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | T43 Y44 I85 K86 | T43-S89 CarbonylContact C-O 3.55Å; T43-S89 WeakPolarHBondContact CA-O 3.29Å; Y44-S89 WeakPolarHBondContact CD1-O 3.36Å; Y44-S89 VanDerWaalsContact CE1-CA 3.43Å; Y44-S89 WeakPolarHBondContact CE1-O 3.02Å; Y44-S89 PolarHBondContact N-O 3.41Å; Y44-S89 WeakPolarHBondContact O-CB 3.47Å; I85-S89 PolarHBondContact O-N 3.14Å; I85-S89 VanDerWaalsContact O-N 3.12Å; K86-S89 PolarHBondContact O-N 2.8Å |
| 90 | S | 97 | Very high | 96.6 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 154.8 | -172.5 | 84.6 | 0 | 0 | 0 | 0 | 114.2 | C42 I85 D88 H92 | C42-S90 VanDerWaalsContact O-CA 3.3Å; C42-S90 WeakPolarHBondContact O-CA 3.22Å; C42-S90 WeakPolarHBondContact O-CB 3.49Å; I85-S90 WeakPolarHBondContact CB-OG 3.48Å; I85-S90 PolarHBondContact N-O 2.93Å; I85-S90 PolarHBondContact O-N 2.84Å; I85-S90 VanDerWaalsContact O-N 3.07Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.5Å; S90-H92 VanDerWaalsContact CB-CE1 3.4Å; S90-H92 WeakPolarHBondContact CB-CE1 3.25Å |
| 91 | F | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -151.1 | 69.6 | 177.6 | -172.3 | -126.9 | 0 | 0 | 0 | 109.4 | C42 L52 W54 A82 P84 | C42-F91 PolarHBondContact O-N 2.84Å; L52-F91 HydrophobicContact CB-CB 4.05Å; L52-F91 HydrophobicContact CB-CD1 3.52Å; L52-F91 HydrophobicContact CB-CE1 4.13Å; L52-F91 HydrophobicContact CB-CG 3.91Å; L52-F91 HydrophobicContact CD1-CB 3.52Å; L52-F91 HydrophobicContact CD1-CG 4.08Å; L52-F91 HydrophobicContact CG-CB 4.34Å; W54-F91 AromaticContact CD1-CD1 3.64Å; W54-F91 AromaticContact CD1-CE1 3.66Å; W54-F91 AromaticContact NE1-CD1 3.78Å; W54-F91 PolarHBondContact NE1-O 2.94Å; A82-F91 HydrophobicContact CB-CD1 4.41Å; A82-F91 HydrophobicContact CB-CD2 3.84Å; A82-F91 HydrophobicContact CB-CE1 4.01Å; A82-F91 HydrophobicContact CB-CE2 3.38Å; A82-F91 HydrophobicContact CB-CG 4.34Å; A82-F91 HydrophobicContact CB-CZ 3.48Å; A82-F91 VanDerWaalsContact CB-CZ 3.48Å; P84-F91 HydrophobicContact CB-CD2 3.95Å; P84-F91 HydrophobicContact CB-CE2 4.39Å; P84-F91 HydrophobicContact CG-CD2 4.41Å; P84-F91 HydrophobicContact CG-CE2 4.39Å | ||
| 92 | H | 98.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 53.6 Ų | 53.6 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | trans | -70.1 | 138.3 | -175.4 | -56.2 | -20.7 | 0 | 0 | 0 | 110.9 | T39 L40 C42 A82 S90 | T39-H92 HydrophobicContact CG2-CB 4.39Å; L40-H92 CarbonylContact O-C 3.45Å; L40-H92 WeakPolarHBondContact O-CA 2.97Å; C42-H92 PolarHBondContact N-ND1 2.95Å; C42-H92 PolarHBondContact O-CE1 3.2Å; C42-H92 VanDerWaalsContact O-CE1 3.3Å; C42-H92 PolarHBondContact O-ND1 3Å; A82-H92 WeakPolarHBondContact CA-O 3.35Å; A82-H92 VanDerWaalsContact CB-O 3.25Å; A82-H92 WeakPolarHBondContact CB-O 3.37Å; S90-H92 VanDerWaalsContact CB-CE1 3.4Å; S90-H92 WeakPolarHBondContact CB-CE1 3.25Å | ||
| 93 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.4 | 174.2 | -172.6 | 70.1 | 0 | 0 | 0 | 109.2 | T39 L40 W54 L66 L67 F80 Y106 | T39-L93 CarbonylContact C-O 3.56Å; T39-L93 WeakPolarHBondContact CA-O 3.45Å; L40-L93 HydrophobicContact CB-CB 4.26Å; L40-L93 HydrophobicContact CD1-CD2 4.27Å; L40-L93 PolarHBondContact N-O 3.27Å; L40-L93 PolarHBondContact O-N 3.23Å; W54-L93 HydrophobicContact CB-CD1 4.25Å; W54-L93 HydrophobicContact CD2-CB 3.79Å; W54-L93 HydrophobicContact CD2-CD1 4.4Å; W54-L93 HydrophobicContact CD2-CD2 4.07Å; W54-L93 HydrophobicContact CD2-CG 4.32Å; W54-L93 VanDerWaalsContact CE2-CB 3.46Å; W54-L93 HydrophobicContact CE3-CB 4.35Å; W54-L93 HydrophobicContact CE3-CD2 4.07Å; W54-L93 HydrophobicContact CG-CB 4.14Å; W54-L93 HydrophobicContact CG-CD1 3.95Å; W54-L93 HydrophobicContact CG-CD2 4.33Å; W54-L93 HydrophobicContact CG-CG 4.38Å; W54-L93 HydrophobicContact CH2-CB 4.27Å; W54-L93 HydrophobicContact CZ2-CB 3.71Å; L66-L93 HydrophobicContact CD2-CD1 3.87Å; L66-L93 HydrophobicContact CD2-CD2 3.66Å; L66-L93 HydrophobicContact CD2-CG 4.41Å; L67-L93 HydrophobicContact CD1-CD1 3.56Å; L67-L93 HydrophobicContact CG-CD1 4.5Å; F80-L93 HydrophobicContact CB-CD1 4.02Å; F80-L93 HydrophobicContact CD1-CD1 4.12Å; F80-L93 HydrophobicContact CD1-CD2 3.87Å; F80-L93 HydrophobicContact CD1-CG 3.93Å; F80-L93 HydrophobicContact CE1-CD2 4.25Å; F80-L93 HydrophobicContact CG-CD1 4.46Å; L93-Y106 HydrophobicContact CD2-CD1 3.53Å; L93-Y106 HydrophobicContact CD2-CE1 4.03Å; L93-Y106 HydrophobicContact CD2-CG 4.23Å |
| 94 | E | 98.5 | Very high | 96.6 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147 | -178.4 | -62.5 | -177.2 | 149.9 | 0 | 0 | 110.5 | L38 T39 F80 Q81 | L38-E94 CarbonylContact O-C 3.58Å; L38-E94 VanDerWaalsContact O-CA 3.29Å; L38-E94 WeakPolarHBondContact O-CA 3.21Å; T39-E94 HydrophobicContact CG2-CG 4.32Å; F80-E94 CarbonylContact C-O 3.56Å; F80-E94 WeakPolarHBondContact CA-O 3.26Å; Q81-E94 PolarHBondContact N-O 2.57Å; Q81-E94 PolarHBondContact O-N 3.47Å |
| 95 | K | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 116.4 | 167.6 | -178.1 | 160.4 | -169.9 | 157.8 | 0 | 109.4 | A37 L38 R78 F80 S97 V98 D102 | A37-K95 CarbonylContact C-O 3.58Å; A37-K95 WeakPolarHBondContact CA-O 3.41Å; L38-K95 HydrophobicContact CB-CB 4.17Å; L38-K95 HydrophobicContact CD2-CB 4.41Å; L38-K95 PolarHBondContact N-O 2.62Å; L38-K95 PolarHBondContact O-N 3.19Å; R78-K95 WeakPolarHBondContact O-CE 3.44Å; R78-K95 PolarHBondContact O-NZ 2.9Å; F80-K95 HydrophobicContact CD1-CB 3.89Å; F80-K95 HydrophobicContact CD1-CD 3.97Å; F80-K95 HydrophobicContact CD1-CG 4.48Å; F80-K95 HydrophobicContact CD2-CD 4.18Å; F80-K95 HydrophobicContact CE1-CB 3.95Å; F80-K95 HydrophobicContact CE1-CD 3.59Å; F80-K95 HydrophobicContact CE1-CG 4.4Å; F80-K95 HydrophobicContact CE2-CD 3.8Å; F80-K95 VanDerWaalsContact CE2-NZ 3.35Å; F80-K95 HydrophobicContact CG-CD 4.25Å; F80-K95 HydrophobicContact CZ-CD 3.47Å; F80-K95 VanDerWaalsContact CZ-CD 3.47Å; K95-S97 WeakPolarHBondContact CE-O 3.28Å; K95-S97 PolarHBondContact O-N 3.33Å; K95-V98 HydrophobicContact CB-CG1 4.31Å; K95-V98 HydrophobicContact CD-CG1 4.25Å; K95-V98 HydrophobicContact CG-CG1 4.25Å; K95-D102 WeakPolarHBondContact CD-OD2 3.49Å; K95-D102 WeakPolarHBondContact CE-OD2 3.21Å; K95-D102 IonicContact NZ-OD1 2.75Å; K95-D102 PolarHBondContact NZ-OD1 3.01Å; K95-D102 IonicContact NZ-OD2 3.46Å; K95-D102 PolarHBondContact NZ-OD2 3.28Å |
| 96 | P | 98 | Very high | 97 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -61.4 | -29.7 | -174.9 | -26.5 | 34.4 | 0 | 0 | 0 | 114.8 | ||
| 97 | S | 98.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -150.3 | 104.1 | -178.9 | 160.2 | 0 | 0 | 0 | 0 | 109.5 | R35 A36 K95 | R35-S97 VanDerWaalsContact CD-OG 3.3Å; R35-S97 WeakPolarHBondContact CD-OG 3.22Å; A36-S97 CarbonylContact O-C 3.6Å; A36-S97 WeakPolarHBondContact O-CA 3.4Å; K95-S97 WeakPolarHBondContact CE-O 3.28Å; K95-S97 PolarHBondContact O-N 3.33Å |
| 98 | V | 98.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 9% | 0.085 | 28% | 0.284 | C | S | . | . | trans | -72.7 | 151.6 | 177.5 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | L32 P33 R35 A36 L38 K95 | L32-V98 HydrophobicContact CB-CG2 4.33Å; P33-V98 WeakPolarHBondContact O-CG2 3.22Å; R35-V98 PolarHBondContact N-O 3.16Å; A36-V98 HydrophobicContact CB-CG2 4.38Å; A36-V98 WeakPolarHBondContact O-CG2 3.36Å; A36-V98 PolarHBondContact O-N 3.03Å; L38-V98 HydrophobicContact CB-CG1 3.47Å; L38-V98 VanDerWaalsContact CB-CG1 3.47Å; L38-V98 HydrophobicContact CD2-CG1 4.21Å; L38-V98 HydrophobicContact CG-CG1 4.43Å; K95-V98 HydrophobicContact CB-CG1 4.31Å; K95-V98 HydrophobicContact CD-CG1 4.25Å; K95-V98 HydrophobicContact CG-CG1 4.25Å | ||
| 99 | Q | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | trans | -122.9 | 160.5 | 175.2 | -63.8 | 179.9 | 82.3 | 0 | 0 | 109.7 | S101 D102 | Q99-S101 PolarHBondContact O-N 2.95Å; Q99-S101 VanDerWaalsContact O-N 3.17Å; Q99-D102 PolarHBondContact N-OD2 3.46Å; Q99-D102 VanDerWaalsContact O-CB 3.24Å; Q99-D102 WeakPolarHBondContact O-CB 3.47Å; Q99-D102 PolarHBondContact O-N 3.07Å | ||
| 100 | L | 96.9 | Very high | 97.8 | Very high | 129 Ų | 129 | 46 Ų | 46 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -57.3 | -33.8 | 178.5 | -65.5 | 176.4 | 0 | 0 | 0 | 112.8 | D102 S103 | L100-D102 PolarHBondContact O-N 2.83Å; L100-D102 VanDerWaalsContact O-N 3.16Å; L100-S103 WeakPolarHBondContact O-CB 3.31Å; L100-S103 PolarHBondContact O-N 3.1Å; L100-S103 VanDerWaalsContact O-N 3.16Å; L100-S103 PolarHBondContact O-OG 3.5Å |
| 101 | S | 96.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 57 Ų | 57 | 56% | 0.559 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -64.9 | -11.7 | 176 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | Y58 Q99 S103 | Y58-S101 WeakPolarHBondContact CE1-O 3.37Å; Q99-S101 PolarHBondContact O-N 2.95Å; Q99-S101 VanDerWaalsContact O-N 3.17Å; S101-S103 VanDerWaalsContact C-N 3.26Å |
| 102 | D | 97.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -84.8 | 0.9 | 176.1 | -58.3 | -37.5 | 0 | 0 | 0 | 112.8 | F80 K95 Q99 L100 A104 Y106 | F80-D102 HydrophobicContact CZ-CB 4.05Å; K95-D102 WeakPolarHBondContact CD-OD2 3.49Å; K95-D102 WeakPolarHBondContact CE-OD2 3.21Å; K95-D102 IonicContact NZ-OD1 2.75Å; K95-D102 PolarHBondContact NZ-OD1 3.01Å; K95-D102 IonicContact NZ-OD2 3.46Å; K95-D102 PolarHBondContact NZ-OD2 3.28Å; Q99-D102 PolarHBondContact N-OD2 3.46Å; Q99-D102 VanDerWaalsContact O-CB 3.24Å; Q99-D102 WeakPolarHBondContact O-CB 3.47Å; Q99-D102 PolarHBondContact O-N 3.07Å; L100-D102 PolarHBondContact O-N 2.83Å; L100-D102 VanDerWaalsContact O-N 3.16Å; D102-A104 PolarHBondContact O-N 3.3Å; D102-Y106 WeakPolarHBondContact O-CE2 3.38Å; D102-Y106 PolarHBondContact O-OH 3.01Å |
| 103 | S | 97.5 | Very high | 97.4 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | trans | -68.9 | 104 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 110.4 | L100 S101 | L100-S103 WeakPolarHBondContact O-CB 3.31Å; L100-S103 PolarHBondContact O-N 3.1Å; L100-S103 VanDerWaalsContact O-N 3.16Å; L100-S103 PolarHBondContact O-OG 3.5Å; S101-S103 VanDerWaalsContact C-N 3.26Å | ||
| 104 | A | 97.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 28% | 0.281 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -159.3 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V56 Q57 Y58 D102 Y106 | V56-A104 HydrophobicContact CG2-CB 3.51Å; Q57-A104 WeakPolarHBondContact O-CB 3.21Å; Y58-A104 HydrophobicContact CD1-CB 3.74Å; Y58-A104 HydrophobicContact CE1-CB 3.87Å; Y58-A104 HydrophobicContact CG-CB 4.42Å; D102-A104 PolarHBondContact O-N 3.3Å; A104-Y106 HydrophobicContact CB-CE2 3.86Å |
| 105 | V | 98.1 | Very high | 97.2 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 135.9 | 166.4 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | V56 Q57 Y107 | V56-V105 CarbonylContact C-O 3.54Å; V56-V105 WeakPolarHBondContact CA-O 3.38Å; Q57-V105 HydrophobicContact CB-CB 4.47Å; Q57-V105 PolarHBondContact N-O 3.3Å; Q57-V105 PolarHBondContact O-N 3.32Å; V105-Y107 HydrophobicContact CB-CE2 4.02Å; V105-Y107 HydrophobicContact CG1-CD2 4.3Å; V105-Y107 HydrophobicContact CG1-CE1 3.88Å; V105-Y107 HydrophobicContact CG1-CE2 3.6Å; V105-Y107 WeakPolarHBondContact CG1-OH 3.42Å |
| 106 | Y | 98.4 | Very high | 97.2 | Very high | 20 Ų | 20 | 66.5 Ų | 66.5 | 8% | 0.078 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.7 | 179.8 | -66.4 | -95.8 | 0 | 0 | 0 | 109.9 | Q25 L40 Y55 V56 L66 F80 L93 D102 A104 | Q25-Y106 PolarHBondContact NE2-O 3.03Å; Q25-Y106 VanDerWaalsContact NE2-O 3.09Å; L40-Y106 HydrophobicContact CD1-CD2 4.05Å; L40-Y106 HydrophobicContact CD1-CG 3.84Å; Y55-Y106 CarbonylContact O-C 3.59Å; Y55-Y106 WeakPolarHBondContact O-CA 3.25Å; V56-Y106 HydrophobicContact CB-CD1 4.04Å; V56-Y106 HydrophobicContact CB-CE1 3.85Å; V56-Y106 HydrophobicContact CG2-CD1 4.05Å; V56-Y106 HydrophobicContact CG2-CE1 3.55Å; V56-Y106 HydrophobicContact CG2-CE2 4.4Å; L66-Y106 HydrophobicContact CD2-CD1 3.75Å; L66-Y106 HydrophobicContact CD2-CE1 3.65Å; F80-Y106 HydrophobicContact CD1-CE1 4.46Å; F80-Y106 AromaticContact CE1-CE1 3.81Å; F80-Y106 HydrophobicContact CE1-CE1 3.81Å; F80-Y106 AromaticContact CE1-CZ 3.95Å; F80-Y106 HydrophobicContact CE2-CE1 4.47Å; F80-Y106 AromaticContact CZ-CE1 3.83Å; F80-Y106 HydrophobicContact CZ-CE1 3.83Å; F80-Y106 AromaticContact CZ-CZ 3.72Å; F80-Y106 WeakPolarHBondContact CZ-OH 3.32Å; L93-Y106 HydrophobicContact CD2-CD1 3.53Å; L93-Y106 HydrophobicContact CD2-CE1 4.03Å; L93-Y106 HydrophobicContact CD2-CG 4.23Å; D102-Y106 WeakPolarHBondContact O-CE2 3.38Å; D102-Y106 PolarHBondContact O-OH 3.01Å; A104-Y106 HydrophobicContact CB-CE2 3.86Å |
| 107 | Y | 98.2 | Very high | 97.1 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.4 | -178.4 | -59.1 | -81.6 | 0 | 0 | 0 | 110.3 | W54 Y55 Q57 V105 | W54-Y107 CarbonylContact C-O 3.5Å; W54-Y107 WeakPolarHBondContact CA-O 3.48Å; W54-Y107 VanDerWaalsContact CE3-C 3.43Å; Y55-Y107 PolarHBondContact N-O 2.91Å; Y55-Y107 PolarHBondContact O-N 2.78Å; Q57-Y107 HydrophobicContact CB-CD2 4.46Å; Q57-Y107 HydrophobicContact CB-CE2 3.84Å; Q57-Y107 PolarHBondContact OE1-OH 3.3Å; Q57-Y107 VanDerWaalsContact OE1-OH 3.14Å; V105-Y107 HydrophobicContact CB-CE2 4.02Å; V105-Y107 HydrophobicContact CG1-CD2 4.3Å; V105-Y107 HydrophobicContact CG1-CE1 3.88Å; V105-Y107 HydrophobicContact CG1-CE2 3.6Å; V105-Y107 WeakPolarHBondContact CG1-OH 3.42Å |
| 108 | C | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 5% | 0.054 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 141.8 | 165.1 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | Q25 C42 F53 W54 | Q25-C108 HydrophobicContact CB-CB 4.3Å; C42-C108 HydrophobicContact CB-CB 3.54Å; C42-C108 WeakPolarHBondContact CB-SG 3.4Å; C42-C108 WeakPolarHBondContact SG-CB 3.41Å; C42-C108 CovalentContact SG-SG 2.01Å; C42-C108 PolarHBondContact SG-SG 3.1Å; F53-C108 CarbonylContact O-C 3.58Å; F53-C108 WeakPolarHBondContact O-CA 3.33Å; W54-C108 HydrophobicContact CD2-CB 4.23Å; W54-C108 HydrophobicContact CE3-CB 4.16Å; W54-C108 HydrophobicContact CH2-CB 3.83Å; W54-C108 HydrophobicContact CZ2-CB 3.88Å; W54-C108 HydrophobicContact CZ3-CB 3.95Å |
| 109 | A | 97.6 | Very high | 97 | Very high | 31 Ų | 31 | 71.5 Ų | 71.5 | 26% | 0.256 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 159.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L52 F53 Y55 | L52-A109 CarbonylContact C-O 3.56Å; L52-A109 WeakPolarHBondContact CA-O 3.39Å; F53-A109 HydrophobicContact CB-CB 4.5Å; F53-A109 PolarHBondContact N-O 2.96Å; F53-A109 PolarHBondContact O-N 3.37Å; Y55-A109 HydrophobicContact CD2-CB 4.37Å; Y55-A109 HydrophobicContact CE2-CB 4.17Å |
| 110 | L | 95.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 70.3 Ų | 70.3 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.7 | 174.9 | 76.2 | 90.5 | 0 | 0 | 0 | 110.4 | D21 S22 V23 T50 F51 L52 | D21-L110 HydrophobicContact CB-CD1 3.41Å; D21-L110 VanDerWaalsContact CB-CD1 3.41Å; D21-L110 HydrophobicContact CB-CD2 3.93Å; D21-L110 HydrophobicContact CB-CG 4.28Å; S22-L110 VanDerWaalsContact C-CD2 3.45Å; S22-L110 WeakPolarHBondContact O-CD2 3.45Å; V23-L110 HydrophobicContact CG1-CB 4.16Å; V23-L110 HydrophobicContact CG1-CD2 3.71Å; V23-L110 HydrophobicContact CG1-CG 4.24Å; T50-L110 HydrophobicContact CG2-CB 4.35Å; F51-L110 CarbonylContact O-C 3.54Å; F51-L110 VanDerWaalsContact O-CA 3.28Å; F51-L110 WeakPolarHBondContact O-CA 3.42Å; L52-L110 HydrophobicContact CD2-CB 3.76Å |
| 111 | R | 90.2 | Very high | 96.9 | Very high | 233 Ų | 233 | 65 Ų | 65 | 88% | 0.879 | 35% | 0.348 | S | S | * | . | trans | -138.3 | 0 | 173.4 | -177.1 | 179 | 173.9 | 150.8 | 1.5 | 112.8 | T50 F51 F53 | T50-R111 WeakPolarHBondContact CA-O 3.21Å; T50-R111 WeakPolarHBondContact CB-O 3.18Å; T50-R111 VanDerWaalsContact OG1-C 3.22Å; T50-R111 PolarHBondContact OG1-N 3.13Å; T50-R111 PolarHBondContact OG1-O 3.36Å; F51-R111 PolarHBondContact N-O 3.31Å; F51-R111 PolarHBondContact O-N 3.3Å; F53-R111 HydrophobicContact CE2-CB 3.79Å; F53-R111 HydrophobicContact CZ-CB 4.49Å |
Retrieved 111 of 111 residues in 82.6 ms
(Link to these results)