| 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 | 39.5 | Very low | 39.3 | Very low | 249 Ų | 249 | 134 Ų | 134 | 100% | 1.227 | 74% | 0.736 | S | S | * | * | 0 | 107.8 | 0 | -73.6 | 172.1 | 173.5 | 0 | 0 | 107.2 | S3 | M1-S3 PolarHBondContact O-N 3.08Š| |||
| 2 | A | 37.4 | Very low | 41 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | trans | -76.7 | 104.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | S | 37 | Very low | 42.3 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -84.6 | 111.1 | 162.8 | -173.6 | 0 | 0 | 0 | 0 | 106.7 | M1 G5 | M1-S3 PolarHBondContact O-N 3.08Å; S3-G5 PolarHBondContact O-N 3.36Å | ||
| 4 | Q | 35.4 | Very low | 44 | Very low | 176 Ų | 176 | 118.1 Ų | 118.1 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | trans | -63.3 | 98.8 | 172.1 | -63.8 | -169 | -5.2 | 0 | 0 | 108.3 | S6 | Q4-S6 PolarHBondContact O-N 2.59Š| ||
| 5 | G | 34.9 | Very low | 45.5 | Very low | 57 Ų | 57 | 111.3 Ų | 111.3 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | trans | -73.1 | 101.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | S3 Y7 | S3-G5 PolarHBondContact O-N 3.36Å; G5-Y7 VanDerWaalsContact C-N 3.31Å; G5-Y7 PolarHBondContact O-N 3.49Å | ||
| 6 | S | 36.5 | Very low | 46.8 | Very low | 81 Ų | 81 | 107.9 Ų | 107.9 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | trans | -55 | 102.1 | 163 | -64.3 | 0 | 0 | 0 | 0 | 107.2 | Q4 Y8 | Q4-S6 PolarHBondContact O-N 2.59Å; S6-Y8 VanDerWaalsContact CB-CE2 3.49Å; S6-Y8 WeakPolarHBondContact O-CD2 3.18Å; S6-Y8 PolarHBondContact O-N 3.12Å | ||
| 7 | Y | 38.6 | Very low | 47.9 | Very low | 210 Ų | 210 | 102.3 Ų | 102.3 | 82% | 0.824 | 56% | 0.559 | S | S | * | * | trans | -66.4 | 87.4 | 161.5 | -78.8 | -92.7 | 0 | 0 | 0 | 105.7 | G5 N9 | G5-Y7 VanDerWaalsContact C-N 3.31Å; G5-Y7 PolarHBondContact O-N 3.49Å; Y7-N9 PolarHBondContact O-N 2.93Å | ||
| 8 | Y | 39.1 | Very low | 48.5 | Very low | 199 Ų | 199 | 103 Ų | 103 | 78% | 0.78 | 56% | 0.556 | S | S | * | * | trans | -66.8 | 87 | 157.6 | -68.5 | -85 | 0 | 0 | 0 | 105.1 | S6 A10 | S6-Y8 VanDerWaalsContact CB-CE2 3.49Å; S6-Y8 WeakPolarHBondContact O-CD2 3.18Å; S6-Y8 PolarHBondContact O-N 3.12Å; Y8-A10 PolarHBondContact O-N 2.88Å | ||
| 9 | N | 39.3 | Very low | 48.9 | Very low | 85 Ų | 85 | 104.2 Ų | 104.2 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | trans | -62.7 | 93.7 | 162.1 | -74.5 | -35.4 | 0 | 0 | 0 | 105.2 | Y7 Y11 | Y7-N9 PolarHBondContact O-N 2.93Å; N9-Y11 HydrophobicContact CB-CE1 4.09Å; N9-Y11 HydrophobicContact CB-CE2 3.99Å; N9-Y11 VanDerWaalsContact O-CD2 3.24Å; N9-Y11 WeakPolarHBondContact O-CD2 3.17Å; N9-Y11 PolarHBondContact O-N 3.04Å | ||
| 10 | A | 48 | Very low | 49.3 | Very low | 88 Ų | 88 | 103.3 Ų | 103.3 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | trans | -69.6 | 85.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | Y8 S12 | Y8-A10 PolarHBondContact O-N 2.88Å; A10-S12 PolarHBondContact O-N 3.04Å; A10-S12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | Y | 47 | Very low | 49.6 | Very low | 106 Ų | 106 | 99.9 Ų | 99.9 | 42% | 0.416 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 118.8 | 174.7 | -62.1 | -68 | 0 | 0 | 0 | 108.5 | N9 Q29 F33 | N9-Y11 HydrophobicContact CB-CE1 4.09Å; N9-Y11 HydrophobicContact CB-CE2 3.99Å; N9-Y11 VanDerWaalsContact O-CD2 3.24Å; N9-Y11 WeakPolarHBondContact O-CD2 3.17Å; N9-Y11 PolarHBondContact O-N 3.04Å; Y11-Q29 HydrophobicContact CD1-CG 4.2Å; Y11-Q29 HydrophobicContact CE1-CG 3.91Å; Y11-F33 HydrophobicContact CD1-CD1 4.2Å; Y11-F33 AromaticContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CZ 4.28Å; Y11-F33 HydrophobicContact CD2-CE1 4.44Å; Y11-F33 AromaticContact CE1-CD1 3.76Å; Y11-F33 HydrophobicContact CE1-CD1 3.76Å; Y11-F33 AromaticContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE1-CE1 3.44Å; Y11-F33 VanDerWaalsContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE2-CE1 4.5Å; Y11-F33 AromaticContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CZ 4.42Å |
| 12 | S | 59.2 | Low | 50.6 | Low | 67 Ų | 67 | 91.9 Ų | 91.9 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.7 | 172.6 | -63.9 | 0 | 0 | 0 | 0 | 108 | A10 Q28 | A10-S12 PolarHBondContact O-N 3.04Å; A10-S12 VanDerWaalsContact O-N 3.16Å; S12-Q28 PolarHBondContact O-N 2.89Å |
| 13 | F | 58.6 | Low | 51.8 | Low | 107 Ų | 107 | 88 Ų | 88 | 47% | 0.469 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.8 | 173.7 | -64.5 | -89.6 | 0 | 0 | 0 | 108.5 | Y26 C27 F33 V35 | F13-Y26 WeakPolarHBondContact CA-O 3.43Å; F13-C27 HydrophobicContact CD1-CB 4.32Å; F13-C27 HydrophobicContact CE1-CB 4.15Å; F13-F33 HydrophobicContact CE1-CE2 4.23Å; F13-F33 AromaticContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CZ-CE2 4.33Å; F13-F33 AromaticContact CZ-CZ 3.78Å; F13-F33 HydrophobicContact CZ-CZ 3.78Å; F13-V35 HydrophobicContact CE1-CG1 4.41Å; F13-V35 HydrophobicContact CE1-CG2 4.25Å |
| 14 | S | 65 | Low | 53.1 | Low | 6 Ų | 6 | 83.8 Ų | 83.8 | 4% | 0.042 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.4 | 174.2 | -60 | 0 | 0 | 0 | 0 | 108.7 | Y26 H61 | S14-Y26 PolarHBondContact N-O 3.44Å; S14-Y26 PolarHBondContact O-N 3.42Å; S14-H61 PolarHBondContact OG-CD2 3.42Å |
| 15 | L | 66.4 | Low | 54.4 | Low | 15 Ų | 15 | 80 Ų | 80 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.1 | 176.8 | -166.8 | 64.1 | 0 | 0 | 0 | 109.4 | L23 F25 V52 L60 H61 | L15-L23 HydrophobicContact CD1-CB 3.9Å; L15-L23 HydrophobicContact CD1-CD1 4.35Å; L15-L23 HydrophobicContact CD1-CD2 4.26Å; L15-L23 HydrophobicContact CD1-CG 4.41Å; L15-L23 HydrophobicContact CD2-CD1 4.16Å; L15-L23 HydrophobicContact CD2-CD2 4Å; L15-L23 HydrophobicContact CG-CD2 4.03Å; L15-F25 HydrophobicContact CD1-CD1 3.9Å; L15-F25 HydrophobicContact CD1-CD2 4.24Å; L15-F25 HydrophobicContact CD1-CE1 3.71Å; L15-F25 HydrophobicContact CD1-CE2 4.05Å; L15-F25 HydrophobicContact CD1-CG 4.17Å; L15-F25 HydrophobicContact CD1-CZ 3.78Å; L15-V52 HydrophobicContact CD2-CB 4.22Å; L15-V52 HydrophobicContact CD2-CG1 3.5Å; L15-V52 VanDerWaalsContact CD2-CG1 3.5Å; L15-V52 HydrophobicContact CD2-CG2 3.61Å; L15-L60 HydrophobicContact CB-CD2 4.26Å; L15-L60 HydrophobicContact CD2-CD2 3.9Å; L15-L60 HydrophobicContact CG-CD2 3.76Å; L15-L60 WeakPolarHBondContact O-CA 3.49Å; L15-H61 PolarHBondContact O-N 2.93Å |
| 16 | F | 67.1 | Low | 55.5 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 25% | 0.254 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.5 | 179.2 | -73 | -102.9 | 0 | 0 | 0 | 110.8 | T24 Y26 H61 N62 | F16-T24 PolarHBondContact N-O 3.08Å; F16-T24 PolarHBondContact O-N 2.77Å; F16-Y26 HydrophobicContact CB-CD2 4.21Å; F16-Y26 HydrophobicContact CB-CE2 4Å; F16-Y26 AromaticContact CD2-CD2 3.29Å; F16-Y26 HydrophobicContact CD2-CD2 3.29Å; F16-Y26 AromaticContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CG 4.12Å; F16-Y26 AromaticContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CE2 4.42Å; F16-Y26 HydrophobicContact CE2-CG 4.19Å; F16-Y26 AromaticContact CG-CD2 3.95Å; F16-Y26 HydrophobicContact CG-CD2 3.95Å; F16-Y26 AromaticContact CG-CE2 3.98Å; F16-Y26 HydrophobicContact CG-CE2 3.98Å; F16-H61 HydrophobicContact CE1-CB 4.46Å; F16-H61 HydrophobicContact CE2-CB 4.23Å; F16-H61 HydrophobicContact CZ-CB 4.14Å; F16-N62 WeakPolarHBondContact CA-OD1 3.46Å; F16-N62 HydrophobicContact CD1-CB 3.57Å; F16-N62 HydrophobicContact CE1-CB 3.84Å |
| 17 | A | 65.2 | Low | 56.2 | Low | 12 Ų | 12 | 79.7 Ų | 79.7 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L60 N62 L66 | A17-L60 HydrophobicContact CB-CD1 3.91Å; A17-L60 HydrophobicContact CB-CD2 4.49Å; A17-N62 PolarHBondContact N-OD1 3.33Å; A17-N62 VanDerWaalsContact N-OD1 3.13Å; A17-N62 PolarHBondContact O-ND2 3.14Å; A17-L66 HydrophobicContact CB-CD1 4.39Å |
| 18 | K | 59.8 | Low | 56.8 | Low | 115 Ų | 115 | 76.2 Ų | 76.2 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -44.5 | 177.4 | -81.8 | -169.4 | -179.7 | 172.9 | 0 | 113.5 | V22 T24 Y26 | K18-V22 PolarHBondContact N-O 3.3Å; K18-T24 HydrophobicContact CD-CG2 4.46Å; K18-T24 WeakPolarHBondContact CD-OG1 3.49Å; K18-Y26 WeakPolarHBondContact CE-OH 3.38Å; K18-Y26 PolarHBondContact NZ-OH 2.79Å |
| 19 | N | 55.9 | Low | 57.4 | Low | 126 Ų | 126 | 69.3 Ų | 69.3 | 67% | 0.674 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.8 | 174.4 | -75.6 | -60.6 | 0 | 0 | 0 | 107.1 | G21 V22 | N19-G21 PolarHBondContact O-N 3.43Å; N19-V22 PolarHBondContact O-N 3.25Å |
| 20 | L | 56.7 | Low | 58 | Low | 85 Ų | 85 | 76.8 Ų | 76.8 | 45% | 0.445 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -31.1 | 106.1 | 178.8 | -58.6 | 165.3 | 0 | 0 | 0 | 112.6 | E73 | L20-E73 WeakPolarHBondContact CD1-OE1 3.29Å; L20-E73 HydrophobicContact CD2-CB 3.98Å; L20-E73 HydrophobicContact CD2-CG 3.53Å; L20-E73 WeakPolarHBondContact CD2-OE1 3.41Å |
| 21 | G | 55.6 | Low | 57.8 | Low | 32 Ų | 32 | 78 Ų | 78 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -12.6 | 178 | 0 | 0 | 0 | 0 | 0 | 117 | N19 L23 | N19-G21 PolarHBondContact O-N 3.43Å; G21-L23 PolarHBondContact O-N 3.15Å |
| 22 | V | 59.9 | Low | 57.6 | Low | 82 Ų | 82 | 82 Ų | 82 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 103 | -179.6 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | K18 N19 | K18-V22 PolarHBondContact N-O 3.3Å; N19-V22 PolarHBondContact O-N 3.25Å |
| 23 | L | 63 | Low | 56.8 | Low | 24 Ų | 24 | 81.8 Ų | 81.8 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 128 | 167.6 | -66.1 | -177.4 | 0 | 0 | 0 | 110.4 | L15 G21 Y49 V52 L60 F78 | L15-L23 HydrophobicContact CD1-CB 3.9Å; L15-L23 HydrophobicContact CD1-CD1 4.35Å; L15-L23 HydrophobicContact CD1-CD2 4.26Å; L15-L23 HydrophobicContact CD1-CG 4.41Å; L15-L23 HydrophobicContact CD2-CD1 4.16Å; L15-L23 HydrophobicContact CD2-CD2 4Å; L15-L23 HydrophobicContact CG-CD2 4.03Å; G21-L23 PolarHBondContact O-N 3.15Å; L23-Y49 HydrophobicContact CD1-CD2 4.04Å; L23-Y49 HydrophobicContact CD1-CE2 3.59Å; L23-V52 HydrophobicContact CD1-CG1 3.93Å; L23-V52 HydrophobicContact CD2-CG1 4.15Å; L23-L60 HydrophobicContact CD2-CD2 3.79Å; L23-F78 HydrophobicContact CD2-CE2 4.24Å; L23-F78 HydrophobicContact CD2-CZ 3.66Å; L23-F78 HydrophobicContact CG-CZ 4.4Å |
| 24 | T | 63.3 | Low | 56 | Low | 29 Ų | 29 | 82.7 Ų | 82.7 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.5 | 172.2 | -54.2 | 0 | 0 | 0 | 0 | 110 | F16 K18 Y26 | F16-T24 PolarHBondContact N-O 3.08Å; F16-T24 PolarHBondContact O-N 2.77Å; K18-T24 HydrophobicContact CD-CG2 4.46Å; K18-T24 WeakPolarHBondContact CD-OG1 3.49Å; T24-Y26 HydrophobicContact CG2-CD2 3.95Å; T24-Y26 HydrophobicContact CG2-CE2 3.55Å |
| 25 | F | 63.8 | Low | 55.1 | Low | 97 Ų | 97 | 85 Ų | 85 | 43% | 0.425 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.9 | 170.1 | -66.4 | -90.2 | 0 | 0 | 0 | 109.7 | L15 L43 | L15-F25 HydrophobicContact CD1-CD1 3.9Å; L15-F25 HydrophobicContact CD1-CD2 4.24Å; L15-F25 HydrophobicContact CD1-CE1 3.71Å; L15-F25 HydrophobicContact CD1-CE2 4.05Å; L15-F25 HydrophobicContact CD1-CG 4.17Å; L15-F25 HydrophobicContact CD1-CZ 3.78Å; F25-L43 HydrophobicContact CE2-CD1 4.14Å; F25-L43 HydrophobicContact CZ-CD1 4.49Å; F25-L43 HydrophobicContact CZ-CD2 4.43Å |
| 26 | Y | 57.1 | Low | 54.2 | Low | 101 Ų | 101 | 89 Ų | 89 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.5 | 166.5 | -73.3 | -95.3 | 0 | 0 | 0 | 108.1 | F13 S14 F16 K18 T24 | F13-Y26 WeakPolarHBondContact CA-O 3.43Å; S14-Y26 PolarHBondContact N-O 3.44Å; S14-Y26 PolarHBondContact O-N 3.42Å; F16-Y26 HydrophobicContact CB-CD2 4.21Å; F16-Y26 HydrophobicContact CB-CE2 4Å; F16-Y26 AromaticContact CD2-CD2 3.29Å; F16-Y26 HydrophobicContact CD2-CD2 3.29Å; F16-Y26 AromaticContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CG 4.12Å; F16-Y26 AromaticContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CE2 4.42Å; F16-Y26 HydrophobicContact CE2-CG 4.19Å; F16-Y26 AromaticContact CG-CD2 3.95Å; F16-Y26 HydrophobicContact CG-CD2 3.95Å; F16-Y26 AromaticContact CG-CE2 3.98Å; F16-Y26 HydrophobicContact CG-CE2 3.98Å; K18-Y26 WeakPolarHBondContact CE-OH 3.38Å; K18-Y26 PolarHBondContact NZ-OH 2.79Å; T24-Y26 HydrophobicContact CG2-CD2 3.95Å; T24-Y26 HydrophobicContact CG2-CE2 3.55Å |
| 27 | C | 51.1 | Low | 53.4 | Low | 29 Ų | 29 | 94.4 Ų | 94.4 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.2 | 161.3 | -170.5 | 0 | 0 | 0 | 0 | 107.7 | F13 Q29 F33 V35 | F13-C27 HydrophobicContact CD1-CB 4.32Å; F13-C27 HydrophobicContact CE1-CB 4.15Å; C27-Q29 PolarHBondContact O-N 3.1Å; C27-F33 HydrophobicContact CB-CE1 4.18Å; C27-F33 HydrophobicContact CB-CE2 4.32Å; C27-F33 HydrophobicContact CB-CZ 3.68Å; C27-F33 WeakPolarHBondContact SG-CE1 3.44Å; C27-F33 WeakPolarHBondContact SG-CZ 3.43Å; C27-V35 HydrophobicContact CB-CG2 4.05Å |
| 28 | Q | 51.5 | Low | 52.7 | Low | 138 Ų | 138 | 99.5 Ų | 99.5 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 110 | 161.6 | -77.9 | -170.2 | -0.3 | 0 | 0 | 107 | S12 | S12-Q28 PolarHBondContact O-N 2.89Å |
| 29 | Q | 53.2 | Low | 52.5 | Low | 54 Ų | 54 | 98.6 Ų | 98.6 | 25% | 0.252 | 50% | 0.501 | S | S | . | . | trans | -135.8 | 133.6 | -177.2 | -148.8 | -166 | -18.7 | 0 | 0 | 109.5 | Y11 C27 D31 F33 | Y11-Q29 HydrophobicContact CD1-CG 4.2Å; Y11-Q29 HydrophobicContact CE1-CG 3.91Å; C27-Q29 PolarHBondContact O-N 3.1Å; Q29-D31 WeakPolarHBondContact CB-O 3.31Å; Q29-D31 HydrophobicContact CG-CB 4.19Å; Q29-D31 WeakPolarHBondContact CG-O 3.35Å; Q29-D31 VanDerWaalsContact NE2-CB 3.25Å; Q29-D31 PolarHBondContact NE2-O 3.46Å; Q29-D31 VanDerWaalsContact NE2-O 3.13Å; Q29-D31 PolarHBondContact OE1-O 3.31Å; Q29-F33 VanDerWaalsContact CD-CE1 3.47Å; Q29-F33 HydrophobicContact CG-CD1 4.04Å; Q29-F33 HydrophobicContact CG-CE1 4.02Å | ||
| 30 | Y | 50.7 | Low | 52.4 | Low | 241 Ų | 241 | 97.1 Ų | 97.1 | 95% | 0.945 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -81.9 | -0.3 | 162.5 | -80.1 | -78.5 | 0 | 0 | 0 | 112.2 | ||
| 31 | D | 45 | Very low | 52.6 | Low | 114 Ų | 114 | 95.7 Ų | 95.7 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -128.6 | 171.7 | 173.4 | -80.3 | -47.9 | 0 | 0 | 0 | 107.3 | Q29 | Q29-D31 WeakPolarHBondContact CB-O 3.31Å; Q29-D31 HydrophobicContact CG-CB 4.19Å; Q29-D31 WeakPolarHBondContact CG-O 3.35Å; Q29-D31 VanDerWaalsContact NE2-CB 3.25Å; Q29-D31 PolarHBondContact NE2-O 3.46Å; Q29-D31 VanDerWaalsContact NE2-O 3.13Å; Q29-D31 PolarHBondContact OE1-O 3.31Å |
| 32 | E | 41.3 | Very low | 52.8 | Low | 191 Ų | 191 | 98.2 Ų | 98.2 | 89% | 0.893 | 50% | 0.501 | S | S | * | . | trans | -114.2 | 106.1 | -179.4 | -176 | 179.9 | -178.4 | 0 | 0 | 108.2 | ||||
| 33 | F | 43 | Very low | 53 | Low | 62 Ų | 62 | 95.3 Ų | 95.3 | 27% | 0.272 | 48% | 0.483 | S | S | . | . | trans | -111.8 | 130.6 | 163.8 | 74.6 | -110.2 | 0 | 0 | 0 | 108 | Y11 F13 C27 Q29 V35 | Y11-F33 HydrophobicContact CD1-CD1 4.2Å; Y11-F33 AromaticContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CZ 4.28Å; Y11-F33 HydrophobicContact CD2-CE1 4.44Å; Y11-F33 AromaticContact CE1-CD1 3.76Å; Y11-F33 HydrophobicContact CE1-CD1 3.76Å; Y11-F33 AromaticContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE1-CE1 3.44Å; Y11-F33 VanDerWaalsContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE2-CE1 4.5Å; Y11-F33 AromaticContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CZ 4.42Å; F13-F33 HydrophobicContact CE1-CE2 4.23Å; F13-F33 AromaticContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CZ-CE2 4.33Å; F13-F33 AromaticContact CZ-CZ 3.78Å; F13-F33 HydrophobicContact CZ-CZ 3.78Å; C27-F33 HydrophobicContact CB-CE1 4.18Å; C27-F33 HydrophobicContact CB-CE2 4.32Å; C27-F33 HydrophobicContact CB-CZ 3.68Å; C27-F33 WeakPolarHBondContact SG-CE1 3.44Å; C27-F33 WeakPolarHBondContact SG-CZ 3.43Å; Q29-F33 VanDerWaalsContact CD-CE1 3.47Å; Q29-F33 HydrophobicContact CG-CD1 4.04Å; Q29-F33 HydrophobicContact CG-CE1 4.02Å; F33-V35 HydrophobicContact CD2-CB 4.41Å; F33-V35 HydrophobicContact CD2-CG2 3.92Å; F33-V35 HydrophobicContact CE2-CB 4Å; F33-V35 HydrophobicContact CE2-CG1 4.42Å; F33-V35 HydrophobicContact CE2-CG2 3.3Å; F33-V35 HydrophobicContact CZ-CG2 4.07Å; F33-V35 PolarHBondContact O-N 3.18Å | ||
| 34 | V | 41.5 | Very low | 53.2 | Low | 126 Ų | 126 | 97.2 Ų | 97.2 | 76% | 0.764 | 49% | 0.491 | S | S | * | . | trans | -68.4 | 103.3 | 166.8 | 179.6 | 0 | 0 | 0 | 0 | 105.7 | P36 | V34-P36 VanDerWaalsContact O-CD 3.29Å; V34-P36 WeakPolarHBondContact O-CD 3.47Å; V34-P36 VanDerWaalsContact O-N 3.09Å | ||
| 35 | V | 46.6 | Very low | 53.4 | Low | 54 Ų | 54 | 100.2 Ų | 100.2 | 33% | 0.327 | 51% | 0.506 | S | S | . | . | trans | -56.8 | 118.3 | 166.3 | -170 | 0 | 0 | 0 | 0 | 104.3 | F13 C27 F33 H37 | F13-V35 HydrophobicContact CE1-CG1 4.41Å; F13-V35 HydrophobicContact CE1-CG2 4.25Å; C27-V35 HydrophobicContact CB-CG2 4.05Å; F33-V35 HydrophobicContact CD2-CB 4.41Å; F33-V35 HydrophobicContact CD2-CG2 3.92Å; F33-V35 HydrophobicContact CE2-CB 4Å; F33-V35 HydrophobicContact CE2-CG1 4.42Å; F33-V35 HydrophobicContact CE2-CG2 3.3Å; F33-V35 HydrophobicContact CZ-CG2 4.07Å; F33-V35 PolarHBondContact O-N 3.18Å; V35-H37 PolarHBondContact O-N 3.01Å | ||
| 36 | P | 48.2 | Very low | 54 | Low | 99 Ų | 99 | 97.1 Ų | 97.1 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | trans | -53.9 | 124.1 | 171.4 | 20.6 | -28.2 | 0 | 0 | 0 | 105.4 | V34 M38 | V34-P36 VanDerWaalsContact O-CD 3.29Å; V34-P36 WeakPolarHBondContact O-CD 3.47Å; V34-P36 VanDerWaalsContact O-N 3.09Å; P36-M38 PolarHBondContact O-N 3.44Å | ||
| 37 | H | 49 | Very low | 55 | Low | 171 Ų | 171 | 98.5 Ų | 98.5 | 79% | 0.792 | 51% | 0.509 | S | S | * | . | trans | -56.1 | 97.5 | 168.6 | 49.6 | -82.1 | 0 | 0 | 0 | 104.4 | V35 D39 | V35-H37 PolarHBondContact O-N 3.01Å; H37-D39 PolarHBondContact O-N 3.3Å | ||
| 38 | M | 50.1 | Low | 56.2 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | trans | -64.6 | 114.6 | 173.1 | -174.3 | 173 | -66.8 | 0 | 0 | 103.3 | P36 L40 C42 L43 | P36-M38 PolarHBondContact O-N 3.44Å; M38-L40 PolarHBondContact O-N 3.09Å; M38-C42 HydrophobicContact CG-CB 3.87Å; M38-C42 HydrophobicContact SD-CB 4.32Å; M38-L43 HydrophobicContact CB-CD1 4.01Å; M38-L43 HydrophobicContact CB-CG 4.4Å; M38-L43 HydrophobicContact CG-CD1 4.16Å; M38-L43 HydrophobicContact CG-CG 4.02Å; M38-L43 HydrophobicContact SD-CD1 4.39Å; M38-L43 HydrophobicContact SD-CD2 4.06Å; M38-L43 HydrophobicContact SD-CG 3.77Å | ||
| 39 | D | 55.4 | Low | 57.6 | Low | 97 Ų | 97 | 94.4 Ų | 94.4 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | trans | -50.2 | 133 | 177.7 | -168.2 | -48.9 | 0 | 0 | 0 | 107.5 | H37 S41 C42 L43 | H37-D39 PolarHBondContact O-N 3.3Å; D39-S41 PolarHBondContact O-N 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.28Å; D39-S41 PolarHBondContact OD1-N 3.46Å; D39-S41 PolarHBondContact OD1-OG 3.06Å; D39-C42 WeakPolarHBondContact O-CB 3.45Å; D39-C42 PolarHBondContact O-N 3.35Å; D39-L43 PolarHBondContact O-N 2.75Å | ||
| 40 | L | 55.4 | Low | 59 | Low | 94 Ų | 94 | 93.5 Ų | 93.5 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.2 | -29.3 | -178.1 | -74.3 | 170.2 | 0 | 0 | 0 | 110.8 | M38 C42 L43 Q44 | M38-L40 PolarHBondContact O-N 3.09Å; L40-C42 VanDerWaalsContact C-N 3.31Å; L40-C42 PolarHBondContact O-N 3.05Å; L40-L43 HydrophobicContact CD2-CD1 4.43Å; L40-L43 CarbonylContact O-C 3.57Å; L40-L43 PolarHBondContact O-N 3.04Å; L40-L43 VanDerWaalsContact O-N 3.08Å; L40-Q44 WeakPolarHBondContact O-CB 3.48Å; L40-Q44 WeakPolarHBondContact O-CG 3.5Å; L40-Q44 PolarHBondContact O-N 3.15Å |
| 41 | S | 61.1 | Low | 60.7 | Low | 56 Ų | 56 | 85.9 Ų | 85.9 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.7 | -38.7 | 174.1 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | D39 | D39-S41 PolarHBondContact O-N 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.28Å; D39-S41 PolarHBondContact OD1-N 3.46Å; D39-S41 PolarHBondContact OD1-OG 3.06Å |
| 42 | C | 59.4 | Low | 62.6 | Low | 84 Ų | 84 | 81.1 Ų | 81.1 | 57% | 0.568 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -72.5 | -34.7 | 175.5 | -68 | 0 | 0 | 0 | 0 | 111.8 | M38 D39 L40 | M38-C42 HydrophobicContact CG-CB 3.87Å; M38-C42 HydrophobicContact SD-CB 4.32Å; D39-C42 WeakPolarHBondContact O-CB 3.45Å; D39-C42 PolarHBondContact O-N 3.35Å; L40-C42 VanDerWaalsContact C-N 3.31Å; L40-C42 PolarHBondContact O-N 3.05Å |
| 43 | L | 64.4 | Low | 64.8 | Low | 22 Ų | 22 | 72 Ų | 72 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74.1 | -36.8 | 178.8 | -82.1 | 155.2 | 0 | 0 | 0 | 112.3 | F25 M38 D39 L40 N45 S46 Y49 | F25-L43 HydrophobicContact CE2-CD1 4.14Å; F25-L43 HydrophobicContact CZ-CD1 4.49Å; F25-L43 HydrophobicContact CZ-CD2 4.43Å; M38-L43 HydrophobicContact CB-CD1 4.01Å; M38-L43 HydrophobicContact CB-CG 4.4Å; M38-L43 HydrophobicContact CG-CD1 4.16Å; M38-L43 HydrophobicContact CG-CG 4.02Å; M38-L43 HydrophobicContact SD-CD1 4.39Å; M38-L43 HydrophobicContact SD-CD2 4.06Å; M38-L43 HydrophobicContact SD-CG 3.77Å; D39-L43 PolarHBondContact O-N 2.75Å; L40-L43 HydrophobicContact CD2-CD1 4.43Å; L40-L43 CarbonylContact O-C 3.57Å; L40-L43 PolarHBondContact O-N 3.04Å; L40-L43 VanDerWaalsContact O-N 3.08Å; L43-N45 PolarHBondContact O-N 3.4Å; L43-S46 WeakPolarHBondContact O-CA 3.25Å; L43-S46 VanDerWaalsContact O-CB 3.25Å; L43-S46 WeakPolarHBondContact O-CB 3.32Å; L43-S46 PolarHBondContact O-N 2.76Å; L43-S46 PolarHBondContact O-OG 2.99Å; L43-Y49 WeakPolarHBondContact O-CB 3.42Å |
| 44 | Q | 67.2 | Low | 66.9 | Low | 63 Ų | 63 | 72.7 Ų | 72.7 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.8 | -38.1 | -175.6 | -84 | 169.6 | -15.6 | 0 | 0 | 112.5 | L40 S46 Y49 V85 | L40-Q44 WeakPolarHBondContact O-CB 3.48Å; L40-Q44 WeakPolarHBondContact O-CG 3.5Å; L40-Q44 PolarHBondContact O-N 3.15Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; Q44-Y49 HydrophobicContact CG-CE1 4.12Å; Q44-V85 WeakPolarHBondContact O-CG1 3.44Å |
| 45 | N | 66.8 | Low | 69.1 | Low | 92 Ų | 92 | 69.9 Ų | 69.9 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.3 | 178 | -67.2 | -46.1 | 0 | 0 | 0 | 114 | L43 | L43-N45 PolarHBondContact O-N 3.4Š|
| 46 | S | 75.9 | Confident | 71 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -82.6 | 143.1 | -178.2 | 79 | 0 | 0 | 0 | 0 | 112 | L43 Q44 A48 Y49 Q50 | L43-S46 WeakPolarHBondContact O-CA 3.25Å; L43-S46 VanDerWaalsContact O-CB 3.25Å; L43-S46 WeakPolarHBondContact O-CB 3.32Å; L43-S46 PolarHBondContact O-N 2.76Å; L43-S46 PolarHBondContact O-OG 2.99Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.3Å; S46-Y49 PolarHBondContact O-N 2.95Å; S46-Y49 VanDerWaalsContact OG-CB 3.31Å; S46-Y49 WeakPolarHBondContact OG-CB 3.16Å; S46-Y49 PolarHBondContact OG-N 2.98Å; S46-Y49 VanDerWaalsContact OG-N 3.13Å; S46-Q50 PolarHBondContact O-N 2.83Å |
| 47 | I | 77.8 | Confident | 72.9 | Confident | 130 Ų | 130 | 69 Ų | 69 | 67% | 0.667 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.4 | -35.4 | 173.5 | -63.5 | 172.6 | 0 | 0 | 0 | 110.6 | Y49 Q50 K51 | I47-Y49 PolarHBondContact O-N 3.39Å; I47-Q50 PolarHBondContact O-N 3.2Å; I47-K51 HydrophobicContact CG2-CG 4.41Å; I47-K51 WeakPolarHBondContact O-CG 3.4Å; I47-K51 PolarHBondContact O-N 3.12Å |
| 48 | A | 77.3 | Confident | 74.7 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S46 K51 V52 | S46-A48 PolarHBondContact O-N 3.3Å; A48-K51 PolarHBondContact O-N 3.33Å; A48-V52 WeakPolarHBondContact O-CG2 3.36Å; A48-V52 PolarHBondContact O-N 3.01Å; A48-V52 VanDerWaalsContact O-N 3.14Å |
| 49 | Y | 81.3 | Confident | 76.3 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 175.9 | -173.5 | -116.6 | 0 | 0 | 0 | 112.1 | L23 L43 Q44 S46 I47 K51 V52 L53 E81 V85 | L23-Y49 HydrophobicContact CD1-CD2 4.04Å; L23-Y49 HydrophobicContact CD1-CE2 3.59Å; L43-Y49 WeakPolarHBondContact O-CB 3.42Å; Q44-Y49 HydrophobicContact CG-CE1 4.12Å; S46-Y49 PolarHBondContact O-N 2.95Å; S46-Y49 VanDerWaalsContact OG-CB 3.31Å; S46-Y49 WeakPolarHBondContact OG-CB 3.16Å; S46-Y49 PolarHBondContact OG-N 2.98Å; S46-Y49 VanDerWaalsContact OG-N 3.13Å; I47-Y49 PolarHBondContact O-N 3.39Å; Y49-K51 PolarHBondContact O-N 3.43Å; Y49-V52 WeakPolarHBondContact O-CB 3.32Å; Y49-V52 PolarHBondContact O-N 2.96Å; Y49-V52 VanDerWaalsContact O-N 3.1Å; Y49-L53 HydrophobicContact CD1-CD1 3.91Å; Y49-L53 HydrophobicContact CD1-CG 4.38Å; Y49-L53 HydrophobicContact CE1-CD1 3.54Å; Y49-L53 HydrophobicContact CE1-CD2 4.42Å; Y49-L53 HydrophobicContact CE1-CG 4.13Å; Y49-L53 HydrophobicContact CE2-CD2 4.39Å; Y49-L53 WeakPolarHBondContact O-CG 3.45Å; Y49-L53 PolarHBondContact O-N 3.34Å; Y49-E81 PolarHBondContact OH-OE1 2.97Å; Y49-E81 PolarHBondContact OH-OE2 3.36Å; Y49-V85 HydrophobicContact CE1-CG2 4.39Å |
| 50 | Q | 82.7 | Confident | 77.6 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -37.1 | 177.4 | -67.7 | 173.5 | 56.4 | 0 | 0 | 112.4 | S46 I47 L53 E54 L82 V85 M89 | S46-Q50 PolarHBondContact O-N 2.83Å; I47-Q50 PolarHBondContact O-N 3.2Å; Q50-L53 PolarHBondContact O-N 3.28Å; Q50-E54 WeakPolarHBondContact O-CB 3.31Å; Q50-E54 PolarHBondContact O-N 3.21Å; Q50-L82 HydrophobicContact CB-CD1 3.85Å; Q50-L82 HydrophobicContact CG-CD1 4Å; Q50-V85 HydrophobicContact CG-CG1 4.17Å; Q50-M89 PolarHBondContact NE2-SD 2.93Å; Q50-M89 VanDerWaalsContact NE2-SD 3.39Å |
| 51 | K | 85 | Confident | 78.9 | Confident | 80 Ų | 80 | 61 Ų | 61 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 176.5 | -75.3 | -73.8 | 165.2 | -156.6 | 0 | 112.9 | I47 A48 Y49 L53 E54 E55 Y59 | I47-K51 HydrophobicContact CG2-CG 4.41Å; I47-K51 WeakPolarHBondContact O-CG 3.4Å; I47-K51 PolarHBondContact O-N 3.12Å; A48-K51 PolarHBondContact O-N 3.33Å; Y49-K51 PolarHBondContact O-N 3.43Å; K51-L53 VanDerWaalsContact C-N 3.31Å; K51-L53 PolarHBondContact O-N 2.99Å; K51-E54 IonicContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact NZ-OE2 3.11Å; K51-E54 PolarHBondContact O-N 3.32Å; K51-E55 PolarHBondContact O-N 3.39Å; K51-Y59 HydrophobicContact CB-CE2 3.91Å; K51-Y59 WeakPolarHBondContact O-CE2 3.46Å |
| 52 | V | 85.8 | Confident | 80 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 9% | 0.085 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 172.5 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L15 L23 A48 Y49 E55 P56 Y59 F78 | L15-V52 HydrophobicContact CD2-CB 4.22Å; L15-V52 HydrophobicContact CD2-CG1 3.5Å; L15-V52 VanDerWaalsContact CD2-CG1 3.5Å; L15-V52 HydrophobicContact CD2-CG2 3.61Å; L23-V52 HydrophobicContact CD1-CG1 3.93Å; L23-V52 HydrophobicContact CD2-CG1 4.15Å; A48-V52 WeakPolarHBondContact O-CG2 3.36Å; A48-V52 PolarHBondContact O-N 3.01Å; A48-V52 VanDerWaalsContact O-N 3.14Å; Y49-V52 WeakPolarHBondContact O-CB 3.32Å; Y49-V52 PolarHBondContact O-N 2.96Å; Y49-V52 VanDerWaalsContact O-N 3.1Å; V52-E55 CarbonylContact O-C 3.6Å; V52-P56 VanDerWaalsContact O-CA 3.27Å; V52-P56 WeakPolarHBondContact O-CA 3.47Å; V52-P56 WeakPolarHBondContact O-CD 3.25Å; V52-P56 VanDerWaalsContact O-N 3.16Å; V52-Y59 HydrophobicContact CG2-CD2 4.23Å; V52-Y59 HydrophobicContact CG2-CG 4.08Å; V52-F78 HydrophobicContact CG1-CE2 4.28Å |
| 53 | L | 86.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.8 | -35.7 | 179.4 | -61.8 | -178.7 | 0 | 0 | 0 | 112.5 | Y49 Q50 K51 F78 E81 L82 | Y49-L53 HydrophobicContact CD1-CD1 3.91Å; Y49-L53 HydrophobicContact CD1-CG 4.38Å; Y49-L53 HydrophobicContact CE1-CD1 3.54Å; Y49-L53 HydrophobicContact CE1-CD2 4.42Å; Y49-L53 HydrophobicContact CE1-CG 4.13Å; Y49-L53 HydrophobicContact CE2-CD2 4.39Å; Y49-L53 WeakPolarHBondContact O-CG 3.45Å; Y49-L53 PolarHBondContact O-N 3.34Å; Q50-L53 PolarHBondContact O-N 3.28Å; K51-L53 VanDerWaalsContact C-N 3.31Å; K51-L53 PolarHBondContact O-N 2.99Å; L53-F78 HydrophobicContact CB-CB 4.18Å; L53-F78 HydrophobicContact CD2-CB 3.8Å; L53-F78 HydrophobicContact CD2-CD1 3.74Å; L53-F78 HydrophobicContact CD2-CD2 3.93Å; L53-F78 HydrophobicContact CD2-CE1 4.27Å; L53-F78 HydrophobicContact CD2-CE2 4.43Å; L53-F78 HydrophobicContact CD2-CG 3.56Å; L53-F78 WeakPolarHBondContact O-CB 3.34Å; L53-E81 HydrophobicContact CD1-CB 4.19Å; L53-E81 HydrophobicContact CD1-CG 3.93Å; L53-L82 HydrophobicContact CB-CB 3.99Å; L53-L82 HydrophobicContact CB-CD1 4.28Å; L53-L82 HydrophobicContact CD1-CB 4.08Å; L53-L82 HydrophobicContact CD1-CD1 4.39Å |
| 54 | E | 87.8 | Confident | 82.5 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.4 | -41.2 | 179.7 | -171.8 | 170.4 | -134.6 | 0 | 0 | 112.2 | Q50 K51 W57 L82 | Q50-E54 WeakPolarHBondContact O-CB 3.31Å; Q50-E54 PolarHBondContact O-N 3.21Å; K51-E54 IonicContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact NZ-OE2 3.11Å; K51-E54 PolarHBondContact O-N 3.32Å; E54-W57 WeakPolarHBondContact O-CH2 3.42Å; E54-L82 HydrophobicContact CB-CD2 4Å; E54-L82 HydrophobicContact CG-CD2 4.47Å |
| 55 | E | 88.4 | Confident | 83.6 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | trans | -134.3 | 64.2 | -174.1 | -55.3 | -174.3 | 123.7 | 0 | 0 | 111.9 | K51 V52 W57 T58 Y59 | K51-E55 PolarHBondContact O-N 3.39Å; V52-E55 CarbonylContact O-C 3.6Å; E55-W57 HydrophobicContact CB-CD2 4.42Å; E55-W57 HydrophobicContact CB-CH2 4.14Å; E55-W57 HydrophobicContact CB-CZ2 3.66Å; E55-W57 HydrophobicContact CG-CH2 4.1Å; E55-W57 HydrophobicContact CG-CZ2 3.62Å; E55-W57 PolarHBondContact O-N 3.47Å; E55-W57 VanDerWaalsContact O-N 3.09Å; E55-T58 WeakPolarHBondContact O-CB 3.46Å; E55-T58 PolarHBondContact O-N 3.01Å; E55-Y59 HydrophobicContact CB-CE2 4.27Å; E55-Y59 VanDerWaalsContact O-CD2 3.27Å; E55-Y59 WeakPolarHBondContact O-CD2 3Å | ||
| 56 | P | 85.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.8 | -32 | -175.6 | 18.3 | -31.1 | 0 | 0 | 0 | 113.6 | V52 T58 Y59 L60 W63 F78 | V52-P56 VanDerWaalsContact O-CA 3.27Å; V52-P56 WeakPolarHBondContact O-CA 3.47Å; V52-P56 WeakPolarHBondContact O-CD 3.25Å; V52-P56 VanDerWaalsContact O-N 3.16Å; P56-T58 PolarHBondContact O-N 2.94Å; P56-Y59 PolarHBondContact O-N 3.24Å; P56-L60 HydrophobicContact CB-CD1 3.8Å; P56-L60 HydrophobicContact CB-CG 4.23Å; P56-L60 WeakPolarHBondContact O-CB 3.21Å; P56-L60 WeakPolarHBondContact O-CG 3.43Å; P56-L60 PolarHBondContact O-N 3.31Å; P56-W63 HydrophobicContact CB-CE3 4.02Å; P56-W63 HydrophobicContact CB-CH2 4.27Å; P56-W63 HydrophobicContact CB-CZ3 3.64Å; P56-W63 HydrophobicContact CG-CE3 4.49Å; P56-W63 HydrophobicContact CG-CH2 3.87Å; P56-W63 HydrophobicContact CG-CZ3 3.75Å; P56-F78 HydrophobicContact CB-CD2 3.75Å; P56-F78 HydrophobicContact CB-CE2 3.83Å; P56-F78 HydrophobicContact CG-CD2 4.05Å |
| 57 | W | 88.5 | Confident | 85.3 | Confident | 132 Ų | 132 | 64.3 Ų | 64.3 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -25.1 | 177.7 | 57.4 | 84.3 | 0 | 0 | 0 | 114 | E54 E55 W63 | E54-W57 WeakPolarHBondContact O-CH2 3.42Å; E55-W57 HydrophobicContact CB-CD2 4.42Å; E55-W57 HydrophobicContact CB-CH2 4.14Å; E55-W57 HydrophobicContact CB-CZ2 3.66Å; E55-W57 HydrophobicContact CG-CH2 4.1Å; E55-W57 HydrophobicContact CG-CZ2 3.62Å; E55-W57 PolarHBondContact O-N 3.47Å; E55-W57 VanDerWaalsContact O-N 3.09Å; W57-W63 HydrophobicContact CB-CD2 3.96Å; W57-W63 HydrophobicContact CB-CG 3.91Å; W57-W63 HydrophobicContact CB-CZ2 4.34Å; W57-W63 HydrophobicContact CE3-CZ2 4.48Å |
| 58 | T | 86.5 | Confident | 85.9 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -79.2 | -30.5 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | E55 P56 | E55-T58 WeakPolarHBondContact O-CB 3.46Å; E55-T58 PolarHBondContact O-N 3.01Å; P56-T58 PolarHBondContact O-N 2.94Å |
| 59 | Y | 83.7 | Confident | 86.6 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 38% | 0.376 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -115.6 | -25.2 | -166.8 | -57.6 | -71.2 | 0 | 0 | 0 | 114.1 | K51 V52 E55 P56 H61 | K51-Y59 HydrophobicContact CB-CE2 3.91Å; K51-Y59 WeakPolarHBondContact O-CE2 3.46Å; V52-Y59 HydrophobicContact CG2-CD2 4.23Å; V52-Y59 HydrophobicContact CG2-CG 4.08Å; E55-Y59 HydrophobicContact CB-CE2 4.27Å; E55-Y59 VanDerWaalsContact O-CD2 3.27Å; E55-Y59 WeakPolarHBondContact O-CD2 3Å; P56-Y59 PolarHBondContact O-N 3.24Å; Y59-H61 PolarHBondContact O-N 2.88Å |
| 60 | L | 83 | Confident | 86.9 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 114.3 | 177.9 | -65.6 | -177.1 | 0 | 0 | 0 | 110.6 | L15 A17 L23 P56 N62 W63 V74 F78 | L15-L60 HydrophobicContact CB-CD2 4.26Å; L15-L60 HydrophobicContact CD2-CD2 3.9Å; L15-L60 HydrophobicContact CG-CD2 3.76Å; L15-L60 WeakPolarHBondContact O-CA 3.49Å; A17-L60 HydrophobicContact CB-CD1 3.91Å; A17-L60 HydrophobicContact CB-CD2 4.49Å; L23-L60 HydrophobicContact CD2-CD2 3.79Å; P56-L60 HydrophobicContact CB-CD1 3.8Å; P56-L60 HydrophobicContact CB-CG 4.23Å; P56-L60 WeakPolarHBondContact O-CB 3.21Å; P56-L60 WeakPolarHBondContact O-CG 3.43Å; P56-L60 PolarHBondContact O-N 3.31Å; L60-N62 PolarHBondContact O-N 3.33Å; L60-W63 HydrophobicContact CB-CB 4.2Å; L60-W63 HydrophobicContact CD1-CE3 3.92Å; L60-W63 HydrophobicContact CD1-CZ3 4.3Å; L60-W63 WeakPolarHBondContact O-CB 3.44Å; L60-W63 PolarHBondContact O-N 3.29Å; L60-W63 VanDerWaalsContact O-N 3.1Å; L60-V74 HydrophobicContact CD1-CG1 4.28Å; L60-F78 HydrophobicContact CD1-CE2 4.06Å; L60-F78 HydrophobicContact CD1-CZ 4.48Å |
| 61 | H | 83.2 | Confident | 87.2 | Confident | 130 Ų | 130 | 66 Ų | 66 | 60% | 0.602 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20 | -175.3 | -140.2 | -70.5 | 0 | 0 | 0 | 113.3 | S14 L15 F16 Y59 | S14-H61 PolarHBondContact OG-CD2 3.42Å; L15-H61 PolarHBondContact O-N 2.93Å; F16-H61 HydrophobicContact CE1-CB 4.46Å; F16-H61 HydrophobicContact CE2-CB 4.23Å; F16-H61 HydrophobicContact CZ-CB 4.14Å; Y59-H61 PolarHBondContact O-N 2.88Å |
| 62 | N | 84.2 | Confident | 87.5 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 13.4 | 176.5 | 67.2 | -39.3 | 0 | 0 | 0 | 113.6 | F16 A17 L60 D64 S65 L66 | F16-N62 WeakPolarHBondContact CA-OD1 3.46Å; F16-N62 HydrophobicContact CD1-CB 3.57Å; F16-N62 HydrophobicContact CE1-CB 3.84Å; A17-N62 PolarHBondContact N-OD1 3.33Å; A17-N62 VanDerWaalsContact N-OD1 3.13Å; A17-N62 PolarHBondContact O-ND2 3.14Å; L60-N62 PolarHBondContact O-N 3.33Å; N62-D64 PolarHBondContact O-N 3.31Å; N62-S65 WeakPolarHBondContact O-CB 3.36Å; N62-S65 PolarHBondContact O-N 3.13Å; N62-L66 WeakPolarHBondContact O-CG 3.28Å; N62-L66 PolarHBondContact O-N 3.1Å |
| 63 | W | 86.6 | Confident | 87.6 | Confident | 30 Ų | 30 | 72 Ų | 72 | 11% | 0.114 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -52.3 | -53 | -176.3 | -178.1 | -101.1 | 0 | 0 | 0 | 112.6 | P56 W57 L60 S65 L66 Q71 V74 A75 | P56-W63 HydrophobicContact CB-CE3 4.02Å; P56-W63 HydrophobicContact CB-CH2 4.27Å; P56-W63 HydrophobicContact CB-CZ3 3.64Å; P56-W63 HydrophobicContact CG-CE3 4.49Å; P56-W63 HydrophobicContact CG-CH2 3.87Å; P56-W63 HydrophobicContact CG-CZ3 3.75Å; W57-W63 HydrophobicContact CB-CD2 3.96Å; W57-W63 HydrophobicContact CB-CG 3.91Å; W57-W63 HydrophobicContact CB-CZ2 4.34Å; W57-W63 HydrophobicContact CE3-CZ2 4.48Å; L60-W63 HydrophobicContact CB-CB 4.2Å; L60-W63 HydrophobicContact CD1-CE3 3.92Å; L60-W63 HydrophobicContact CD1-CZ3 4.3Å; L60-W63 WeakPolarHBondContact O-CB 3.44Å; L60-W63 PolarHBondContact O-N 3.29Å; L60-W63 VanDerWaalsContact O-N 3.1Å; W63-S65 PolarHBondContact O-N 3.36Å; W63-L66 HydrophobicContact CE3-CD1 4.36Å; W63-L66 WeakPolarHBondContact O-CB 3.43Å; W63-L66 PolarHBondContact O-N 3.47Å; W63-Q71 HydrophobicContact CD2-CG 4.21Å; W63-Q71 HydrophobicContact CE3-CG 4.48Å; W63-Q71 HydrophobicContact CH2-CB 3.8Å; W63-Q71 HydrophobicContact CH2-CG 4.21Å; W63-Q71 WeakPolarHBondContact CH2-O 3.27Å; W63-Q71 HydrophobicContact CZ2-CB 3.69Å; W63-Q71 HydrophobicContact CZ2-CG 3.9Å; W63-Q71 HydrophobicContact CZ3-CB 4.4Å; W63-Q71 HydrophobicContact CZ3-CG 4.48Å; W63-Q71 PolarHBondContact O-NE2 2.69Å; W63-V74 HydrophobicContact CZ3-CB 4.41Å; W63-V74 HydrophobicContact CZ3-CG1 4.07Å; W63-A75 HydrophobicContact CH2-CB 4.35Å |
| 64 | D | 89.5 | Confident | 87.5 | Confident | 148 Ų | 148 | 72.2 Ų | 72.2 | 79% | 0.791 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -69.1 | -16.8 | -178.7 | -62.1 | -38.3 | 0 | 0 | 0 | 113.6 | N62 | N62-D64 PolarHBondContact O-N 3.31Š|
| 65 | S | 90.8 | Very high | 87.5 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -83.1 | -14.3 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | N62 W63 | N62-S65 WeakPolarHBondContact O-CB 3.36Å; N62-S65 PolarHBondContact O-N 3.13Å; W63-S65 PolarHBondContact O-N 3.36Å |
| 66 | L | 86 | Confident | 87.6 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -78.7 | 146.1 | 175.1 | -58.9 | 174.9 | 0 | 0 | 0 | 110 | A17 N62 W63 V70 Q71 | A17-L66 HydrophobicContact CB-CD1 4.39Å; N62-L66 WeakPolarHBondContact O-CG 3.28Å; N62-L66 PolarHBondContact O-N 3.1Å; W63-L66 HydrophobicContact CE3-CD1 4.36Å; W63-L66 WeakPolarHBondContact O-CB 3.43Å; W63-L66 PolarHBondContact O-N 3.47Å; L66-V70 HydrophobicContact CB-CB 4.37Å; L66-V70 HydrophobicContact CB-CG1 4.22Å; L66-V70 HydrophobicContact CD1-CG1 4.27Å; L66-V70 HydrophobicContact CD2-CG1 4.05Å; L66-V70 HydrophobicContact CG-CG1 4.4Å; L66-Q71 HydrophobicContact CB-CG 3.81Å; L66-Q71 PolarHBondContact O-NE2 2.83Å |
| 67 | T | 91.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 75 Ų | 75 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | trans | -67.7 | 151.9 | 172.3 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | S69 V70 Q71 | T67-S69 PolarHBondContact O-N 3.43Å; T67-S69 VanDerWaalsContact O-N 3.12Å; T67-V70 WeakPolarHBondContact O-CA 3.27Å; T67-V70 PolarHBondContact O-N 3.17Å; T67-V70 VanDerWaalsContact OG1-CG2 3.29Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.49Å; T67-Q71 PolarHBondContact O-N 3.08Å | ||
| 68 | P | 91 | Very high | 87.7 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -54.8 | -35.1 | -179.2 | -28.9 | 35.7 | 0 | 0 | 0 | 113.9 | Q71 Q72 | P68-Q71 PolarHBondContact O-N 2.68Å; P68-Q72 WeakPolarHBondContact O-CB 3.46Å; P68-Q72 PolarHBondContact O-N 2.79Å |
| 69 | S | 91.2 | Very high | 87.8 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 62% | 0.622 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 174.9 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | T67 Q72 E73 | T67-S69 PolarHBondContact O-N 3.43Å; T67-S69 VanDerWaalsContact O-N 3.12Å; S69-Q72 PolarHBondContact O-N 2.88Å; S69-E73 WeakPolarHBondContact O-CB 3.29Å; S69-E73 PolarHBondContact O-N 3.04Å |
| 70 | V | 88.7 | Confident | 88 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 177.4 | 176 | 0 | 0 | 0 | 0 | 110.8 | L66 T67 Q72 E73 V74 | L66-V70 HydrophobicContact CB-CB 4.37Å; L66-V70 HydrophobicContact CB-CG1 4.22Å; L66-V70 HydrophobicContact CD1-CG1 4.27Å; L66-V70 HydrophobicContact CD2-CG1 4.05Å; L66-V70 HydrophobicContact CG-CG1 4.4Å; T67-V70 WeakPolarHBondContact O-CA 3.27Å; T67-V70 PolarHBondContact O-N 3.17Å; T67-V70 VanDerWaalsContact OG1-CG2 3.29Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.49Å; V70-Q72 PolarHBondContact O-N 2.88Å; V70-E73 PolarHBondContact O-N 3.35Å; V70-V74 HydrophobicContact CG1-CG2 4.14Å; V70-V74 WeakPolarHBondContact O-CB 3.24Å; V70-V74 VanDerWaalsContact O-CG2 3.23Å; V70-V74 WeakPolarHBondContact O-CG2 3.15Å; V70-V74 PolarHBondContact O-N 3.33Å |
| 71 | Q | 89.6 | Confident | 88.1 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 174 | -70.8 | 179.4 | -10.1 | 0 | 0 | 111.7 | W63 L66 T67 P68 E73 V74 A75 | W63-Q71 HydrophobicContact CD2-CG 4.21Å; W63-Q71 HydrophobicContact CE3-CG 4.48Å; W63-Q71 HydrophobicContact CH2-CB 3.8Å; W63-Q71 HydrophobicContact CH2-CG 4.21Å; W63-Q71 WeakPolarHBondContact CH2-O 3.27Å; W63-Q71 HydrophobicContact CZ2-CB 3.69Å; W63-Q71 HydrophobicContact CZ2-CG 3.9Å; W63-Q71 HydrophobicContact CZ3-CB 4.4Å; W63-Q71 HydrophobicContact CZ3-CG 4.48Å; W63-Q71 PolarHBondContact O-NE2 2.69Å; L66-Q71 HydrophobicContact CB-CG 3.81Å; L66-Q71 PolarHBondContact O-NE2 2.83Å; T67-Q71 PolarHBondContact O-N 3.08Å; P68-Q71 PolarHBondContact O-N 2.68Å; Q71-E73 VanDerWaalsContact C-N 3.33Å; Q71-E73 PolarHBondContact O-N 3.35Å; Q71-V74 PolarHBondContact O-N 2.91Å; Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.38Å |
| 72 | Q | 89.8 | Confident | 88.3 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 63% | 0.631 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 177.5 | -176.9 | 177.5 | -1.8 | 0 | 0 | 111.2 | P68 S69 V70 A75 Q76 | P68-Q72 WeakPolarHBondContact O-CB 3.46Å; P68-Q72 PolarHBondContact O-N 2.79Å; S69-Q72 PolarHBondContact O-N 2.88Å; V70-Q72 PolarHBondContact O-N 2.88Å; Q72-A75 PolarHBondContact O-N 2.93Å; Q72-Q76 VanDerWaalsContact O-CG 3.29Å; Q72-Q76 WeakPolarHBondContact O-CG 3.45Å; Q72-Q76 PolarHBondContact O-N 2.97Å |
| 73 | E | 88 | Confident | 88.4 | Confident | 86 Ų | 86 | 67.2 Ų | 67.2 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 179.5 | -158.8 | -177.8 | 169.6 | 0 | 0 | 112 | L20 S69 V70 Q71 A75 Q76 N77 | L20-E73 WeakPolarHBondContact CD1-OE1 3.29Å; L20-E73 HydrophobicContact CD2-CB 3.98Å; L20-E73 HydrophobicContact CD2-CG 3.53Å; L20-E73 WeakPolarHBondContact CD2-OE1 3.41Å; S69-E73 WeakPolarHBondContact O-CB 3.29Å; S69-E73 PolarHBondContact O-N 3.04Å; V70-E73 PolarHBondContact O-N 3.35Å; Q71-E73 VanDerWaalsContact C-N 3.33Å; Q71-E73 PolarHBondContact O-N 3.35Å; E73-A75 PolarHBondContact O-N 2.78Å; E73-Q76 PolarHBondContact O-N 3.09Å; E73-N77 WeakPolarHBondContact O-CB 3.39Å; E73-N77 PolarHBondContact O-N 3.35Å; E73-N77 PolarHBondContact O-ND2 2.93Å |
| 74 | V | 85 | Confident | 88.3 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.024 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 174.6 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L60 W63 V70 Q71 Q76 N77 F78 | L60-V74 HydrophobicContact CD1-CG1 4.28Å; W63-V74 HydrophobicContact CZ3-CB 4.41Å; W63-V74 HydrophobicContact CZ3-CG1 4.07Å; V70-V74 HydrophobicContact CG1-CG2 4.14Å; V70-V74 WeakPolarHBondContact O-CB 3.24Å; V70-V74 VanDerWaalsContact O-CG2 3.23Å; V70-V74 WeakPolarHBondContact O-CG2 3.15Å; V70-V74 PolarHBondContact O-N 3.33Å; Q71-V74 PolarHBondContact O-N 2.91Å; V74-Q76 PolarHBondContact O-N 3.04Å; V74-N77 PolarHBondContact O-N 3Å; V74-F78 HydrophobicContact CG1-CD1 4.28Å; V74-F78 HydrophobicContact CG1-CD2 4.03Å; V74-F78 HydrophobicContact CG1-CE1 4.02Å; V74-F78 HydrophobicContact CG1-CE2 3.75Å; V74-F78 HydrophobicContact CG1-CG 4.28Å; V74-F78 HydrophobicContact CG1-CZ 3.73Å; V74-F78 WeakPolarHBondContact O-CB 3.34Å; V74-F78 WeakPolarHBondContact O-CD1 3.31Å; V74-F78 VanDerWaalsContact O-CG 3.31Å; V74-F78 WeakPolarHBondContact O-CG 3.46Å; V74-F78 PolarHBondContact O-N 3.42Å |
| 75 | A | 88.5 | Confident | 87.9 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 20% | 0.198 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W63 Q71 Q72 E73 F78 L79 | W63-A75 HydrophobicContact CH2-CB 4.35Å; Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.38Å; Q72-A75 PolarHBondContact O-N 2.93Å; E73-A75 PolarHBondContact O-N 2.78Å; A75-F78 PolarHBondContact O-N 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.21Å; A75-L79 VanDerWaalsContact O-CG 3.28Å; A75-L79 WeakPolarHBondContact O-CG 3.44Å; A75-L79 PolarHBondContact O-N 3.05Å |
| 76 | Q | 89.3 | Confident | 87.5 | Confident | 116 Ų | 116 | 62.2 Ų | 62.2 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.7 | -71.8 | -62.8 | -32.9 | 0 | 0 | 112 | Q72 E73 V74 F78 L79 S80 | Q72-Q76 VanDerWaalsContact O-CG 3.29Å; Q72-Q76 WeakPolarHBondContact O-CG 3.45Å; Q72-Q76 PolarHBondContact O-N 2.97Å; E73-Q76 PolarHBondContact O-N 3.09Å; V74-Q76 PolarHBondContact O-N 3.04Å; Q76-F78 VanDerWaalsContact C-N 3.34Å; Q76-F78 PolarHBondContact O-N 2.48Å; Q76-L79 PolarHBondContact O-N 3.26Å; Q76-S80 PolarHBondContact O-N 2.71Å |
| 77 | N | 86.9 | Confident | 87.3 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.1 | -70.7 | -21.5 | 0 | 0 | 0 | 111.2 | E73 V74 S80 E81 | E73-N77 WeakPolarHBondContact O-CB 3.39Å; E73-N77 PolarHBondContact O-N 3.35Å; E73-N77 PolarHBondContact O-ND2 2.93Å; V74-N77 PolarHBondContact O-N 3Å; N77-S80 PolarHBondContact O-N 3.16Å; N77-E81 WeakPolarHBondContact O-CB 3.36Å; N77-E81 PolarHBondContact O-N 2.81Å |
| 78 | F | 89.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.009 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 178.5 | -76.5 | 8.5 | 0 | 0 | 0 | 112.8 | L23 V52 L53 P56 L60 V74 A75 Q76 E81 L82 | L23-F78 HydrophobicContact CD2-CE2 4.24Å; L23-F78 HydrophobicContact CD2-CZ 3.66Å; L23-F78 HydrophobicContact CG-CZ 4.4Å; V52-F78 HydrophobicContact CG1-CE2 4.28Å; L53-F78 HydrophobicContact CB-CB 4.18Å; L53-F78 HydrophobicContact CD2-CB 3.8Å; L53-F78 HydrophobicContact CD2-CD1 3.74Å; L53-F78 HydrophobicContact CD2-CD2 3.93Å; L53-F78 HydrophobicContact CD2-CE1 4.27Å; L53-F78 HydrophobicContact CD2-CE2 4.43Å; L53-F78 HydrophobicContact CD2-CG 3.56Å; L53-F78 WeakPolarHBondContact O-CB 3.34Å; P56-F78 HydrophobicContact CB-CD2 3.75Å; P56-F78 HydrophobicContact CB-CE2 3.83Å; P56-F78 HydrophobicContact CG-CD2 4.05Å; L60-F78 HydrophobicContact CD1-CE2 4.06Å; L60-F78 HydrophobicContact CD1-CZ 4.48Å; V74-F78 HydrophobicContact CG1-CD1 4.28Å; V74-F78 HydrophobicContact CG1-CD2 4.03Å; V74-F78 HydrophobicContact CG1-CE1 4.02Å; V74-F78 HydrophobicContact CG1-CE2 3.75Å; V74-F78 HydrophobicContact CG1-CG 4.28Å; V74-F78 HydrophobicContact CG1-CZ 3.73Å; V74-F78 WeakPolarHBondContact O-CB 3.34Å; V74-F78 WeakPolarHBondContact O-CD1 3.31Å; V74-F78 VanDerWaalsContact O-CG 3.31Å; V74-F78 WeakPolarHBondContact O-CG 3.46Å; V74-F78 PolarHBondContact O-N 3.42Å; A75-F78 PolarHBondContact O-N 3.27Å; Q76-F78 VanDerWaalsContact C-N 3.34Å; Q76-F78 PolarHBondContact O-N 2.48Å; F78-E81 PolarHBondContact O-N 2.85Å; F78-L82 VanDerWaalsContact O-CB 3.25Å; F78-L82 WeakPolarHBondContact O-CB 2.93Å; F78-L82 PolarHBondContact O-N 3Å |
| 79 | L | 89.4 | Confident | 85.5 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 174.5 | -73.3 | 172.9 | 0 | 0 | 0 | 112 | A75 Q76 E81 L82 S83 | A75-L79 WeakPolarHBondContact O-CB 3.21Å; A75-L79 VanDerWaalsContact O-CG 3.28Å; A75-L79 WeakPolarHBondContact O-CG 3.44Å; A75-L79 PolarHBondContact O-N 3.05Å; Q76-L79 PolarHBondContact O-N 3.26Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-L82 PolarHBondContact O-N 2.97Å; L79-S83 PolarHBondContact O-N 3.42Å |
| 80 | S | 87.7 | Confident | 84.4 | Confident | 86 Ų | 86 | 61 Ų | 61 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 111 | Q76 N77 S83 S84 | Q76-S80 PolarHBondContact O-N 2.71Å; N77-S80 PolarHBondContact O-N 3.16Å; S80-S83 WeakPolarHBondContact O-CB 2.99Å; S80-S83 PolarHBondContact O-N 3.49Å; S80-S84 PolarHBondContact O-N 2.88Å; S80-S84 VanDerWaalsContact O-N 3.11Å |
| 81 | E | 85 | Confident | 83 | Confident | 49 Ų | 49 | 63.8 Ų | 63.8 | 23% | 0.229 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 177.4 | -174.1 | 168.2 | -177.6 | 0 | 0 | 112.1 | Y49 L53 N77 F78 L79 S83 S84 V85 | Y49-E81 PolarHBondContact OH-OE1 2.97Å; Y49-E81 PolarHBondContact OH-OE2 3.36Å; L53-E81 HydrophobicContact CD1-CB 4.19Å; L53-E81 HydrophobicContact CD1-CG 3.93Å; N77-E81 WeakPolarHBondContact O-CB 3.36Å; N77-E81 PolarHBondContact O-N 2.81Å; F78-E81 PolarHBondContact O-N 2.85Å; L79-E81 VanDerWaalsContact C-N 3.33Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 2.9Å; E81-S84 WeakPolarHBondContact O-CA 3.45Å; E81-S84 VanDerWaalsContact O-CB 3.32Å; E81-S84 WeakPolarHBondContact O-CB 3.23Å; E81-S84 PolarHBondContact O-N 3.36Å; E81-V85 HydrophobicContact CG-CG2 4.42Å; E81-V85 WeakPolarHBondContact O-CG2 3.23Å; E81-V85 PolarHBondContact O-N 3.47Å |
| 82 | L | 86.6 | Confident | 81.5 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 176.4 | -178.1 | 61.9 | 0 | 0 | 0 | 111.2 | Q50 L53 E54 F78 L79 S84 K86 | Q50-L82 HydrophobicContact CB-CD1 3.85Å; Q50-L82 HydrophobicContact CG-CD1 4Å; L53-L82 HydrophobicContact CB-CB 3.99Å; L53-L82 HydrophobicContact CB-CD1 4.28Å; L53-L82 HydrophobicContact CD1-CB 4.08Å; L53-L82 HydrophobicContact CD1-CD1 4.39Å; E54-L82 HydrophobicContact CB-CD2 4Å; E54-L82 HydrophobicContact CG-CD2 4.47Å; F78-L82 VanDerWaalsContact O-CB 3.25Å; F78-L82 WeakPolarHBondContact O-CB 2.93Å; F78-L82 PolarHBondContact O-N 3Å; L79-L82 PolarHBondContact O-N 2.97Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-K86 HydrophobicContact CD1-CD 4.38Å; L82-K86 HydrophobicContact CD1-CG 4.41Å; L82-K86 HydrophobicContact CG-CD 4.2Å; L82-K86 WeakPolarHBondContact O-CB 3.39Å; L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.07Å; L82-K86 PolarHBondContact O-N 3.4Å |
| 83 | S | 87.5 | Confident | 79.7 | Confident | 72 Ų | 72 | 66.3 Ų | 66.3 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 174.4 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | L79 S80 E81 T87 | L79-S83 PolarHBondContact O-N 3.42Å; S80-S83 WeakPolarHBondContact O-CB 2.99Å; S80-S83 PolarHBondContact O-N 3.49Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 2.9Å; S83-T87 WeakPolarHBondContact O-CB 3.34Å; S83-T87 PolarHBondContact O-N 2.95Å; S83-T87 PolarHBondContact O-OG1 3.42Å |
| 84 | S | 84.1 | Confident | 78 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 176.2 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | S80 E81 L82 K86 T87 E88 | S80-S84 PolarHBondContact O-N 2.88Å; S80-S84 VanDerWaalsContact O-N 3.11Å; E81-S84 WeakPolarHBondContact O-CA 3.45Å; E81-S84 VanDerWaalsContact O-CB 3.32Å; E81-S84 WeakPolarHBondContact O-CB 3.23Å; E81-S84 PolarHBondContact O-N 3.36Å; L82-S84 VanDerWaalsContact C-N 3.34Å; S84-K86 PolarHBondContact O-N 3.48Å; S84-T87 WeakPolarHBondContact O-CB 3.37Å; S84-T87 PolarHBondContact O-N 2.82Å; S84-T87 VanDerWaalsContact O-N 3.15Å; S84-E88 PolarHBondContact O-N 2.88Å |
| 85 | V | 81.5 | Confident | 76.4 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.036 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 178.8 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | Q44 Y49 Q50 E81 T87 E88 M89 | Q44-V85 WeakPolarHBondContact O-CG1 3.44Å; Y49-V85 HydrophobicContact CE1-CG2 4.39Å; Q50-V85 HydrophobicContact CG-CG1 4.17Å; E81-V85 HydrophobicContact CG-CG2 4.42Å; E81-V85 WeakPolarHBondContact O-CG2 3.23Å; E81-V85 PolarHBondContact O-N 3.47Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 3.23Å; V85-E88 PolarHBondContact O-N 3.19Å; V85-M89 HydrophobicContact CG1-CE 3.91Å; V85-M89 HydrophobicContact CG1-SD 4.34Å; V85-M89 WeakPolarHBondContact O-CG 3.46Å; V85-M89 PolarHBondContact O-N 3.5Å |
| 86 | K | 82.1 | Confident | 74.4 | Confident | 100 Ų | 100 | 76 Ų | 76 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 177 | -77.4 | 178.4 | 177.2 | 175.6 | 0 | 112.5 | L82 S84 M89 A90 | L82-K86 HydrophobicContact CD1-CD 4.38Å; L82-K86 HydrophobicContact CD1-CG 4.41Å; L82-K86 HydrophobicContact CG-CD 4.2Å; L82-K86 WeakPolarHBondContact O-CB 3.39Å; L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.07Å; L82-K86 PolarHBondContact O-N 3.4Å; S84-K86 PolarHBondContact O-N 3.48Å; K86-M89 HydrophobicContact CG-CE 4.31Å; K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.18Å; K86-A90 VanDerWaalsContact O-N 3.09Å |
| 87 | T | 80.5 | Confident | 72.5 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | S83 S84 V85 A90 I91 | S83-T87 WeakPolarHBondContact O-CB 3.34Å; S83-T87 PolarHBondContact O-N 2.95Å; S83-T87 PolarHBondContact O-OG1 3.42Å; S84-T87 WeakPolarHBondContact O-CB 3.37Å; S84-T87 PolarHBondContact O-N 2.82Å; S84-T87 VanDerWaalsContact O-N 3.15Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 3.23Å; T87-A90 PolarHBondContact O-N 3.2Å; T87-I91 HydrophobicContact CG2-CD1 4.09Å; T87-I91 VanDerWaalsContact O-CG1 3.28Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3Å |
| 88 | E | 75.7 | Confident | 70.9 | Confident | 96 Ų | 96 | 76.2 Ų | 76.2 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 179.2 | -171.3 | 175.9 | 165.5 | 0 | 0 | 112.8 | S84 V85 I91 T92 | S84-E88 PolarHBondContact O-N 2.88Å; V85-E88 PolarHBondContact O-N 3.19Å; E88-I91 PolarHBondContact O-N 3.01Å; E88-T92 PolarHBondContact O-N 2.87Å; E88-T92 PolarHBondContact O-OG1 3.45Å |
| 89 | M | 68.9 | Low | 69.3 | Low | 38 Ų | 38 | 79.6 Ų | 79.6 | 19% | 0.187 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 175.3 | -70.3 | -175.5 | -57 | 0 | 0 | 112.5 | Q50 V85 K86 I91 T92 Q93 | Q50-M89 PolarHBondContact NE2-SD 2.93Å; Q50-M89 VanDerWaalsContact NE2-SD 3.39Å; V85-M89 HydrophobicContact CG1-CE 3.91Å; V85-M89 HydrophobicContact CG1-SD 4.34Å; V85-M89 WeakPolarHBondContact O-CG 3.46Å; V85-M89 PolarHBondContact O-N 3.5Å; K86-M89 HydrophobicContact CG-CE 4.31Å; M89-I91 VanDerWaalsContact C-N 3.3Å; M89-I91 PolarHBondContact O-N 2.97Å; M89-T92 PolarHBondContact O-N 2.92Å; M89-Q93 WeakPolarHBondContact O-CG 3.36Å; M89-Q93 PolarHBondContact O-N 3.13Å |
| 90 | A | 67.7 | Low | 67.5 | Low | 65 Ų | 65 | 82.7 Ų | 82.7 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K86 T87 G94 | K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.18Å; K86-A90 VanDerWaalsContact O-N 3.09Å; T87-A90 PolarHBondContact O-N 3.2Å; A90-G94 PolarHBondContact O-N 3.48Å; A90-G94 VanDerWaalsContact O-N 3.1Å |
| 91 | I | 59.8 | Low | 65.7 | Low | 108 Ų | 108 | 84.9 Ų | 84.9 | 55% | 0.554 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 174.8 | -66.9 | 163.4 | 0 | 0 | 0 | 110.3 | T87 E88 M89 Q93 G94 V95 | T87-I91 HydrophobicContact CG2-CD1 4.09Å; T87-I91 VanDerWaalsContact O-CG1 3.28Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3Å; E88-I91 PolarHBondContact O-N 3.01Å; M89-I91 VanDerWaalsContact C-N 3.3Å; M89-I91 PolarHBondContact O-N 2.97Å; I91-Q93 PolarHBondContact O-N 2.96Å; I91-G94 PolarHBondContact O-N 2.82Å; I91-G94 VanDerWaalsContact O-N 3.15Å; I91-V95 WeakPolarHBondContact O-CG2 3.38Å; I91-V95 PolarHBondContact O-N 3.48Å |
| 92 | T | 57.6 | Low | 63.9 | Low | 77 Ų | 77 | 87.9 Ų | 87.9 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | -177.4 | -52.2 | 0 | 0 | 0 | 0 | 112 | E88 M89 G94 V95 F96 | E88-T92 PolarHBondContact O-N 2.87Å; E88-T92 PolarHBondContact O-OG1 3.45Å; M89-T92 PolarHBondContact O-N 2.92Å; T92-G94 VanDerWaalsContact C-N 3.34Å; T92-V95 PolarHBondContact O-N 3.45Å; T92-F96 PolarHBondContact O-N 3.48Å |
| 93 | Q | 53.7 | Low | 62 | Low | 154 Ų | 154 | 94.4 Ų | 94.4 | 72% | 0.72 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.8 | -30.6 | 174.4 | -69.7 | -172.6 | 10.7 | 0 | 0 | 113 | M89 I91 V95 F96 | M89-Q93 WeakPolarHBondContact O-CG 3.36Å; M89-Q93 PolarHBondContact O-N 3.13Å; I91-Q93 PolarHBondContact O-N 2.96Å; Q93-V95 VanDerWaalsContact C-N 3.26Å; Q93-V95 PolarHBondContact O-N 3.44Å; Q93-F96 PolarHBondContact O-N 3.42Å |
| 94 | G | 51.2 | Low | 59.8 | Low | 69 Ų | 69 | 97.9 Ų | 97.9 | 71% | 0.711 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.2 | -19.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A90 I91 T92 | A90-G94 PolarHBondContact O-N 3.48Å; A90-G94 VanDerWaalsContact O-N 3.1Å; I91-G94 PolarHBondContact O-N 2.82Å; I91-G94 VanDerWaalsContact O-N 3.15Å; T92-G94 VanDerWaalsContact C-N 3.34Å |
| 95 | V | 51.7 | Low | 57.6 | Low | 112 Ų | 112 | 102.7 Ų | 102.7 | 68% | 0.679 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -94.4 | -17 | 178.1 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | I91 T92 Q93 D97 | I91-V95 WeakPolarHBondContact O-CG2 3.38Å; I91-V95 PolarHBondContact O-N 3.48Å; T92-V95 PolarHBondContact O-N 3.45Å; Q93-V95 VanDerWaalsContact C-N 3.26Å; Q93-V95 PolarHBondContact O-N 3.44Å; V95-D97 VanDerWaalsContact C-N 3.34Å; V95-D97 PolarHBondContact O-N 2.92Å |
| 96 | F | 46.1 | Very low | 55.7 | Low | 137 Ų | 137 | 107.4 Ų | 107.4 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | trans | -70.8 | 90.2 | 173.9 | -106.8 | -88 | 0 | 0 | 0 | 110.1 | T92 Q93 P98 F101 | T92-F96 PolarHBondContact O-N 3.48Å; Q93-F96 PolarHBondContact O-N 3.42Å; F96-P98 WeakPolarHBondContact O-CD 3.5Å; F96-F101 AromaticContact CE1-CE2 3.94Å; F96-F101 HydrophobicContact CE1-CE2 3.94Å | ||
| 97 | D | 50.6 | Low | 53.3 | Low | 77 Ų | 77 | 106.7 Ų | 106.7 | 41% | 0.412 | 60% | 0.601 | S | S | . | * | trans | -83.8 | 105.8 | 163.2 | -170.7 | -20.2 | 0 | 0 | 0 | 108.4 | V95 S99 M100 | V95-D97 VanDerWaalsContact C-N 3.34Å; V95-D97 PolarHBondContact O-N 2.92Å; D97-S99 PolarHBondContact O-N 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 2.82Å; D97-S99 PolarHBondContact OD1-N 3.02Å; D97-S99 PolarHBondContact OD1-OG 3.02Å; D97-S99 PolarHBondContact OD2-OG 3.36Å; D97-S99 VanDerWaalsContact OD2-OG 3.08Å; D97-M100 HydrophobicContact CB-CG 3.91Å; D97-M100 WeakPolarHBondContact O-CB 3.29Å; D97-M100 PolarHBondContact O-N 2.85Å | ||
| 98 | P | 51.8 | Low | 51.1 | Low | 105 Ų | 105 | 108.9 Ų | 108.9 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -60.6 | -15.4 | 178.4 | 23 | -31.3 | 0 | 0 | 0 | 113 | F96 M100 F101 | F96-P98 WeakPolarHBondContact O-CD 3.5Å; P98-M100 VanDerWaalsContact C-N 3.26Å; P98-M100 PolarHBondContact O-N 3.24Å; P98-F101 PolarHBondContact O-N 3.07Å |
| 99 | S | 55.4 | Low | 48.9 | Very low | 74 Ų | 74 | 110.2 Ų | 110.2 | 52% | 0.517 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -71.3 | -18.1 | 174.7 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | D97 F101 | D97-S99 PolarHBondContact O-N 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 2.82Å; D97-S99 PolarHBondContact OD1-N 3.02Å; D97-S99 PolarHBondContact OD1-OG 3.02Å; D97-S99 PolarHBondContact OD2-OG 3.36Å; D97-S99 VanDerWaalsContact OD2-OG 3.08Å; S99-F101 PolarHBondContact O-N 3.22Å |
| 100 | M | 52.3 | Low | 47.3 | Very low | 152 Ų | 152 | 115.1 Ų | 115.1 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -71.4 | -18 | 176.8 | -62.2 | -96.3 | -148.6 | 0 | 0 | 112.9 | D97 P98 | D97-M100 HydrophobicContact CB-CG 3.91Å; D97-M100 WeakPolarHBondContact O-CB 3.29Å; D97-M100 PolarHBondContact O-N 2.85Å; P98-M100 VanDerWaalsContact C-N 3.26Å; P98-M100 PolarHBondContact O-N 3.24Å |
| 101 | F | 49.9 | Very low | 45.6 | Very low | 131 Ų | 131 | 115.9 Ų | 115.9 | 58% | 0.575 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -97.2 | 11 | -178.1 | -80.4 | -83.5 | 0 | 0 | 0 | 114.5 | F96 P98 S99 N103 Q104 | F96-F101 AromaticContact CE1-CE2 3.94Å; F96-F101 HydrophobicContact CE1-CE2 3.94Å; P98-F101 PolarHBondContact O-N 3.07Å; S99-F101 PolarHBondContact O-N 3.22Å; F101-N103 PolarHBondContact O-N 3.1Å; F101-Q104 PolarHBondContact O-N 3.28Å |
| 102 | V | 48 | Very low | 44.4 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -0.6 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 103 | N | 45.9 | Very low | 43.1 | Very low | 146 Ų | 146 | 117.8 Ų | 117.8 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 73.7 | 166.7 | -75.4 | -80.2 | 0 | 0 | 0 | 111.7 | F101 | F101-N103 PolarHBondContact O-N 3.1Š|
| 104 | Q | 41.4 | Very low | 42.1 | Very low | 144 Ų | 144 | 113.6 Ų | 113.6 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | trans | -156.8 | 82.3 | 147.1 | -112.3 | 167.7 | 55.9 | 0 | 0 | 108.8 | F101 V106 | F101-Q104 PolarHBondContact O-N 3.28Å; Q104-V106 HydrophobicContact CB-CG2 4.06Å; Q104-V106 HydrophobicContact CG-CG2 3.9Å; Q104-V106 PolarHBondContact O-N 3.13Å | ||
| 105 | D | 38.1 | Very low | 41.3 | Very low | 173 Ų | 173 | 119.4 Ų | 119.4 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | trans | -57.4 | 73.9 | 147.6 | -77.4 | -61.8 | 0 | 0 | 0 | 108.1 | S107 | D105-S107 PolarHBondContact O-N 3.01Å; D105-S107 VanDerWaalsContact O-N 3.12Å | ||
| 106 | V | 40.7 | Very low | 40.5 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | trans | -82.3 | 79.6 | 158.4 | -178.8 | 0 | 0 | 0 | 0 | 104.7 | Q104 C108 | Q104-V106 HydrophobicContact CB-CG2 4.06Å; Q104-V106 HydrophobicContact CG-CG2 3.9Å; Q104-V106 PolarHBondContact O-N 3.13Å; V106-C108 PolarHBondContact O-N 2.96Å; V106-C108 VanDerWaalsContact O-N 3.08Å | ||
| 107 | S | 33.3 | Very low | 40 | Very low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | -53.7 | 115.4 | 159.8 | -155.9 | 0 | 0 | 0 | 0 | 105.9 | D105 D109 | D105-S107 PolarHBondContact O-N 3.01Å; D105-S107 VanDerWaalsContact O-N 3.12Å; S107-D109 PolarHBondContact O-N 3.34Å | ||
| 108 | C | 33.4 | Very low | 39.2 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -72.5 | 60.1 | 168.1 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | V106 | V106-C108 PolarHBondContact O-N 2.96Å; V106-C108 VanDerWaalsContact O-N 3.08Å |
| 109 | D | 30.1 | Very low | 38.4 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | -137.9 | 132.1 | 171.4 | -90.3 | -42.7 | 0 | 0 | 0 | 108 | S107 | S107-D109 PolarHBondContact O-N 3.34Š| ||
| 110 | T | 34.9 | Very low | 37.6 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | 92.1 | 121.3 | 170 | -36.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 111 | A | 32.6 | Very low | 37 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -169.7 | 160.8 | -4.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S113 | A111-S113 PolarHBondContact O-N 2.9Š| ||
| 112 | A | 33.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -43.7 | 117.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 113 | S | 30.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -165.1 | 133.7 | 151.2 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | A111 | A111-S113 PolarHBondContact O-N 2.9Š| ||
| 114 | G | 33.5 | Very low | 36.1 | Very low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | 130.6 | 49.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 115 | Q | 33.4 | Very low | 35.7 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | 44.9 | 93.2 | 100.9 | -75.3 | -171.4 | -28.7 | 0 | 0 | 112.7 | |||||
| 116 | N | 36.1 | Very low | 35.7 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | -101.6 | 110.6 | 154.4 | -145.9 | -6.2 | 0 | 0 | 0 | 108.1 | ||||
| 117 | G | 34.7 | Very low | 35.8 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 24.2 | 103.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 118 | N | 34.4 | Very low | 36 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -101.1 | 110.3 | 141.1 | -165.4 | 2.7 | 0 | 0 | 0 | 108.4 | T120 | N118-T120 PolarHBondContact O-N 2.79Š| ||
| 119 | T | 35.2 | Very low | 36.1 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -51.5 | 112.8 | 177.6 | -50.1 | 0 | 0 | 0 | 0 | 110.5 | E121 | T119-E121 HydrophobicContact CG2-CG 3.96Š| ||
| 120 | T | 39 | Very low | 36.4 | Very low | 136 Ų | 136 | 138 Ų | 138 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -97.7 | 98.1 | 160.7 | -43.8 | 0 | 0 | 0 | 0 | 106.9 | N118 N122 | N118-T120 PolarHBondContact O-N 2.79Å; T120-N122 PolarHBondContact O-N 2.93Å; T120-N122 VanDerWaalsContact O-N 3.12Å | ||
| 121 | E | 38.3 | Very low | 36.5 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -58.1 | 108.5 | 171.6 | -68.1 | 175.1 | 130 | 0 | 0 | 109.2 | T119 H123 | T119-E121 HydrophobicContact CG2-CG 3.96Å; E121-H123 PolarHBondContact O-N 3.12Å | ||
| 122 | N | 36.3 | Very low | 36.8 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -88.9 | 88.4 | 169.6 | -146.3 | -14.6 | 0 | 0 | 0 | 106.9 | T120 | T120-N122 PolarHBondContact O-N 2.93Å; T120-N122 VanDerWaalsContact O-N 3.12Å | ||
| 123 | H | 44.5 | Very low | 37 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 130.4 | 172.7 | -112.4 | 141.1 | 0 | 0 | 0 | 109.7 | E121 | E121-H123 PolarHBondContact O-N 3.12Š|
| 124 | A | 44.2 | Very low | 37.5 | Very low | 82 Ų | 82 | 145.5 Ų | 145.5 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | T126 | A124-T126 PolarHBondContact O-N 3.02Š|
| 125 | N | 34.1 | Very low | 37.8 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 122.2 | 150.5 | -179.5 | 4.3 | 0 | 0 | 0 | 110.2 | ||
| 126 | T | 37.6 | Very low | 38.1 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -156.8 | 115 | 149.9 | -22.3 | 0 | 0 | 0 | 0 | 112.3 | A124 | A124-T126 PolarHBondContact O-N 3.02Š| ||
| 127 | K | 43.3 | Very low | 38.3 | Very low | 270 Ų | 270 | 146.2 Ų | 146.2 | 100% | 1.174 | 82% | 0.816 | S | S | * | * | trans | 91.6 | 0 | 156.9 | -151.3 | 177.8 | -174.8 | -175.5 | 0 | 119.1 |
Retrieved 127 of 127 residues in 194.7 ms
(Link to these results)