| 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 | 34.2 | Very low | 53.1 | Low | 241 Ų | 241 | 119.4 Ų | 119.4 | 100% | 1.187 | 61% | 0.608 | S | S | * | * | 0 | 66.1 | 0 | -168 | -179 | -86.3 | 0 | 0 | 108 | |||||
| 2 | F | 32.5 | Very low | 55.1 | Low | 213 Ų | 213 | 117.3 Ų | 117.3 | 93% | 0.934 | 61% | 0.609 | S | S | * | * | trans | -90.4 | 153.3 | 172.6 | -81.1 | -89.9 | 0 | 0 | 0 | 108 | ||||
| 3 | S | 39.7 | Very low | 56.3 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 60% | 0.601 | 57% | 0.574 | S | S | * | * | trans | 91.1 | 70.9 | 162.3 | -158.7 | 0 | 0 | 0 | 0 | 118.4 | S6 | S3-S6 PolarHBondContact OG-OG 2.74Š| ||
| 4 | L | 38.6 | Very low | 56.6 | Low | 146 Ų | 146 | 110.2 Ų | 110.2 | 76% | 0.764 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -127.2 | 13.4 | 145.8 | -79.8 | 173.7 | 0 | 0 | 0 | 112.5 | ||
| 5 | Y | 44.6 | Very low | 56.3 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 37% | 0.373 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -134.7 | 0.1 | -171.9 | -81.1 | -59.4 | 0 | 0 | 0 | 114.6 | D7 F10 K285 | Y5-D7 VanDerWaalsContact C-N 3.27Å; Y5-D7 PolarHBondContact O-N 3.4Å; Y5-F10 HydrophobicContact CD1-CE1 4.44Å; Y5-F10 AromaticContact CD1-CE2 3.32Å; Y5-F10 HydrophobicContact CD1-CE2 3.32Å; Y5-F10 AromaticContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CE1-CE1 4.01Å; Y5-F10 AromaticContact CE1-CE2 3.64Å; Y5-F10 HydrophobicContact CE1-CE2 3.64Å; Y5-F10 AromaticContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CG-CE2 4.36Å; Y5-K285 HydrophobicContact CE2-CD 4.05Å; Y5-K285 VanDerWaalsContact CZ-CE 3.42Å; Y5-K285 WeakPolarHBondContact OH-CD 3.44Å; Y5-K285 WeakPolarHBondContact OH-CE 3Å; Y5-K285 PolarHBondContact OH-NZ 2.74Å |
| 6 | S | 48.2 | Very low | 56.1 | Low | 83 Ų | 83 | 103.8 Ų | 103.8 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -21.8 | -174.4 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | S3 | S3-S6 PolarHBondContact OG-OG 2.74Š|
| 7 | D | 52.6 | Low | 55.7 | Low | 149 Ų | 149 | 108.2 Ų | 108.2 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 9.2 | -170.3 | -50.9 | -20.4 | 0 | 0 | 0 | 113.2 | Y5 | Y5-D7 VanDerWaalsContact C-N 3.27Å; Y5-D7 PolarHBondContact O-N 3.4Å |
| 8 | I | 61 | Low | 55.3 | Low | 54 Ų | 54 | 106.3 Ų | 106.3 | 28% | 0.277 | 58% | 0.583 | S | S | . | * | trans | -110.6 | 113.2 | -179.1 | -56.1 | 173.5 | 0 | 0 | 0 | 109.1 | F10 Y283 | I8-F10 HydrophobicContact CB-CE2 3.87Å; I8-F10 HydrophobicContact CB-CZ 3.77Å; I8-F10 HydrophobicContact CD1-CZ 4.37Å; I8-F10 HydrophobicContact CG2-CD1 4.4Å; I8-F10 HydrophobicContact CG2-CD2 4.47Å; I8-F10 HydrophobicContact CG2-CE1 3.81Å; I8-F10 HydrophobicContact CG2-CE2 3.87Å; I8-F10 HydrophobicContact CG2-CZ 3.45Å; I8-F10 VanDerWaalsContact CG2-CZ 3.45Å; I8-F10 WeakPolarHBondContact O-CD2 3.28Å; I8-F10 WeakPolarHBondContact O-CE2 3.14Å; I8-F10 PolarHBondContact O-N 3.41Å; I8-Y283 HydrophobicContact CD1-CE1 4.46Å | ||
| 9 | E | 73 | Confident | 54.9 | Low | 182 Ų | 182 | 102.8 Ų | 102.8 | 85% | 0.85 | 57% | 0.566 | S | S | * | * | trans | -74.3 | 106.7 | 169.5 | -69.2 | -173.9 | 172.2 | 0 | 0 | 109.7 | ||||
| 10 | F | 80.9 | Confident | 54.3 | Low | 40 Ų | 40 | 103.9 Ų | 103.9 | 18% | 0.175 | 57% | 0.571 | C | S | . | * | trans | -77.9 | 144.8 | 173.6 | -68.6 | -75.1 | 0 | 0 | 0 | 110.9 | Y5 I8 P12 A86 R87 Y283 V347 | Y5-F10 HydrophobicContact CD1-CE1 4.44Å; Y5-F10 AromaticContact CD1-CE2 3.32Å; Y5-F10 HydrophobicContact CD1-CE2 3.32Å; Y5-F10 AromaticContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CE1-CE1 4.01Å; Y5-F10 AromaticContact CE1-CE2 3.64Å; Y5-F10 HydrophobicContact CE1-CE2 3.64Å; Y5-F10 AromaticContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CG-CE2 4.36Å; I8-F10 HydrophobicContact CB-CE2 3.87Å; I8-F10 HydrophobicContact CB-CZ 3.77Å; I8-F10 HydrophobicContact CD1-CZ 4.37Å; I8-F10 HydrophobicContact CG2-CD1 4.4Å; I8-F10 HydrophobicContact CG2-CD2 4.47Å; I8-F10 HydrophobicContact CG2-CE1 3.81Å; I8-F10 HydrophobicContact CG2-CE2 3.87Å; I8-F10 HydrophobicContact CG2-CZ 3.45Å; I8-F10 VanDerWaalsContact CG2-CZ 3.45Å; I8-F10 WeakPolarHBondContact O-CD2 3.28Å; I8-F10 WeakPolarHBondContact O-CE2 3.14Å; I8-F10 PolarHBondContact O-N 3.41Å; F10-P12 VanDerWaalsContact O-CD 3.32Å; F10-P12 WeakPolarHBondContact O-CD 3.46Å; F10-A86 HydrophobicContact CD1-CB 3.69Å; F10-A86 HydrophobicContact CE1-CB 3.83Å; F10-R87 WeakPolarHBondContact CA-O 3.5Å; F10-R87 WeakPolarHBondContact CD1-O 3.24Å; F10-Y283 AromaticContact CE1-CD2 3.74Å; F10-Y283 HydrophobicContact CE1-CD2 3.74Å; F10-Y283 AromaticContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CG 4.49Å; F10-V347 HydrophobicContact CD2-CG1 4.34Å | ||
| 11 | V | 78.9 | Confident | 53.9 | Low | 24 Ų | 24 | 106.1 Ų | 106.1 | 15% | 0.145 | 57% | 0.572 | C | S | . | * | trans | -73.4 | 115 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | R87 T89 P117 W118 | V11-R87 PolarHBondContact N-O 3.2Å; V11-T89 HydrophobicContact CG2-CG2 3.9Å; V11-P117 HydrophobicContact CG1-CB 4.47Å; V11-P117 HydrophobicContact CG1-CG 4.06Å; V11-P117 HydrophobicContact CG2-CB 4.4Å; V11-P117 HydrophobicContact CG2-CG 4.07Å; V11-W118 PolarHBondContact O-NE1 3.05Å | ||
| 12 | P | 77.1 | Confident | 54.1 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 62% | 0.617 | 55% | 0.548 | S | S | * | . | trans | -63 | 147 | -178.1 | 26.4 | -33.8 | 0 | 0 | 0 | 110.7 | F10 A14 | F10-P12 VanDerWaalsContact O-CD 3.32Å; F10-P12 WeakPolarHBondContact O-CD 3.46Å; P12-A14 PolarHBondContact O-N 3.16Å | ||
| 13 | I | 71.4 | Confident | 54.6 | Low | 32 Ų | 32 | 95.7 Ų | 95.7 | 16% | 0.164 | 54% | 0.538 | C | S | . | . | trans | -91.2 | 101 | 176.9 | -52.5 | 172 | 0 | 0 | 0 | 108.1 | G15 Y16 W118 C348 R349 | I13-G15 PolarHBondContact O-N 2.98Å; I13-Y16 HydrophobicContact CG2-CD2 4.36Å; I13-W118 HydrophobicContact CD1-CH2 3.88Å; I13-W118 HydrophobicContact CD1-CZ2 3.83Å; I13-W118 HydrophobicContact CD1-CZ3 4.48Å; I13-W118 HydrophobicContact CG1-CD2 4.39Å; I13-W118 HydrophobicContact CG1-CH2 4.06Å; I13-W118 HydrophobicContact CG1-CZ2 3.49Å; I13-W118 VanDerWaalsContact CG1-CZ2 3.49Å; I13-C348 VanDerWaalsContact CD1-C 3.43Å; I13-R349 HydrophobicContact CD1-CB 4.06Å | ||
| 14 | A | 59.8 | Low | 54.6 | Low | 103 Ų | 103 | 95.6 Ų | 95.6 | 85% | 0.851 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 120.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P12 | P12-A14 PolarHBondContact O-N 3.16Š|
| 15 | G | 52.8 | Low | 54.7 | Low | 71 Ų | 71 | 93 Ų | 93 | 73% | 0.732 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 30.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I13 K17 | I13-G15 PolarHBondContact O-N 2.98Å; G15-K17 VanDerWaalsContact C-N 3.3Å; G15-K17 PolarHBondContact O-N 3.46Å |
| 16 | Y | 51.8 | Low | 54.7 | Low | 46 Ų | 46 | 93 Ų | 93 | 18% | 0.18 | 55% | 0.551 | C | S | . | * | trans | -55.2 | 97.7 | 167.4 | -177.6 | -106.1 | 0 | 0 | 0 | 108.9 | I13 Y317 R349 | I13-Y16 HydrophobicContact CG2-CD2 4.36Å; Y16-Y317 WeakPolarHBondContact OH-CE1 3.34Å; Y16-Y317 PolarHBondContact OH-OH 3.39Å; Y16-R349 HydrophobicContact CE2-CB 4.38Å; Y16-R349 HydrophobicContact CE2-CG 4.17Å | ||
| 17 | K | 49.3 | Very low | 54.6 | Low | 180 Ų | 180 | 91.8 Ų | 91.8 | 78% | 0.783 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -78 | 124.3 | 168.1 | -72.5 | -177 | 179.8 | 179.3 | 0 | 105.4 | G15 | G15-K17 VanDerWaalsContact C-N 3.3Å; G15-K17 PolarHBondContact O-N 3.46Å |
| 18 | P | 49.9 | Very low | 54.2 | Low | 74 Ų | 74 | 93.6 Ų | 93.6 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 141.3 | 161.4 | 25.5 | -31.5 | 0 | 0 | 0 | 106.7 | N20 | P18-N20 PolarHBondContact O-N 3.36Š|
| 19 | P | 47.3 | Very low | 53.9 | Low | 40 Ų | 40 | 94.6 Ų | 94.6 | 26% | 0.26 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 146.3 | 176.6 | 32.9 | -46.3 | 0 | 0 | 0 | 109.4 | Y21 Y317 | P19-Y21 PolarHBondContact O-N 3Å; P19-Y317 HydrophobicContact CB-CD2 3.81Å; P19-Y317 HydrophobicContact CB-CE2 3.78Å; P19-Y317 HydrophobicContact CB-CG 4.39Å; P19-Y317 VanDerWaalsContact CD-CE1 3.41Å; P19-Y317 HydrophobicContact CG-CD1 3.65Å; P19-Y317 HydrophobicContact CG-CD2 3.28Å; P19-Y317 HydrophobicContact CG-CE1 3.78Å; P19-Y317 HydrophobicContact CG-CE2 3.43Å; P19-Y317 VanDerWaalsContact CG-CE2 3.43Å; P19-Y317 HydrophobicContact CG-CG 3.4Å; P19-Y317 VanDerWaalsContact CG-CG 3.4Å |
| 20 | N | 42.1 | Very low | 53 | Low | 123 Ų | 123 | 91.8 Ų | 91.8 | 66% | 0.658 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 125.5 | 164.8 | -146.6 | 7.5 | 0 | 0 | 0 | 106.1 | P18 E22 | P18-N20 PolarHBondContact O-N 3.36Å; N20-E22 HydrophobicContact CB-CG 4.3Å; N20-E22 PolarHBondContact ND2-OE1 3.2Å; N20-E22 PolarHBondContact O-N 3.3Å |
| 21 | Y | 46.7 | Very low | 52.1 | Low | 151 Ų | 151 | 94.4 Ų | 94.4 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | trans | -69.6 | 48.3 | 171.1 | -65.8 | -89.1 | 0 | 0 | 0 | 109.8 | P19 A23 | P19-Y21 PolarHBondContact O-N 3Å; Y21-A23 PolarHBondContact O-N 3.13Å | ||
| 22 | E | 39 | Very low | 51.3 | Low | 146 Ų | 146 | 97.4 Ų | 97.4 | 68% | 0.682 | 56% | 0.555 | S | S | * | * | trans | -65.6 | 108.7 | 166.8 | -82.1 | 175.9 | -153.6 | 0 | 0 | 105.4 | N20 S24 | N20-E22 HydrophobicContact CB-CG 4.3Å; N20-E22 PolarHBondContact ND2-OE1 3.2Å; N20-E22 PolarHBondContact O-N 3.3Å; E22-S24 PolarHBondContact O-N 3.47Å | ||
| 23 | A | 42.7 | Very low | 50.4 | Low | 89 Ų | 89 | 100.1 Ų | 100.1 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | trans | -55 | 83.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y21 A25 | Y21-A23 PolarHBondContact O-N 3.13Å; A23-A25 PolarHBondContact O-N 3.45Å | ||
| 24 | S | 38.8 | Very low | 49.8 | Very low | 85 Ų | 85 | 103.5 Ų | 103.5 | 59% | 0.594 | 58% | 0.583 | S | S | * | * | trans | -61.2 | 121.7 | 162.3 | 57.4 | 0 | 0 | 0 | 0 | 105.6 | E22 S26 | E22-S24 PolarHBondContact O-N 3.47Å; S24-S26 PolarHBondContact O-N 3.21Å | ||
| 25 | A | 41.8 | Very low | 50.3 | Low | 92 Ų | 92 | 101.4 Ų | 101.4 | 76% | 0.76 | 56% | 0.557 | S | S | * | * | trans | -39.1 | 121.9 | -163.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A23 S27 | A23-A25 PolarHBondContact O-N 3.45Å; A25-S27 PolarHBondContact O-N 2.97Å | ||
| 26 | S | 44.1 | Very low | 51.4 | Low | 95 Ų | 95 | 104.6 Ų | 104.6 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | trans | -32.5 | 102.5 | 170.2 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | S24 K28 | S24-S26 PolarHBondContact O-N 3.21Å; S26-K28 PolarHBondContact O-N 3.44Å | ||
| 27 | S | 45 | Very low | 52.6 | Low | 56 Ų | 56 | 106 Ų | 106 | 39% | 0.392 | 57% | 0.57 | S | S | . | * | trans | -56.3 | 116.3 | 163.6 | 42 | 0 | 0 | 0 | 0 | 104.9 | A25 M29 | A25-S27 PolarHBondContact O-N 2.97Å; S27-M29 PolarHBondContact O-N 3.23Å | ||
| 28 | K | 45.6 | Very low | 54.4 | Low | 188 Ų | 188 | 98.4 Ų | 98.4 | 82% | 0.817 | 54% | 0.537 | S | S | * | . | trans | -41.6 | 116.6 | -178.6 | -75.9 | -179.3 | 176.5 | -179.9 | 0 | 108.1 | S26 Q30 | S26-K28 PolarHBondContact O-N 3.44Å; K28-Q30 WeakPolarHBondContact O-CG 3.46Å; K28-Q30 PolarHBondContact O-N 3.08Å | ||
| 29 | M | 53.8 | Low | 56.3 | Low | 74 Ų | 74 | 96.3 Ų | 96.3 | 37% | 0.365 | 53% | 0.529 | S | S | . | . | trans | -51.5 | 109.4 | 174.6 | -62.2 | 178.4 | 101.8 | 0 | 0 | 107.1 | S27 Y31 F311 | S27-M29 PolarHBondContact O-N 3.23Å; M29-Y31 VanDerWaalsContact C-N 3.34Å; M29-Y31 HydrophobicContact CB-CD2 3.81Å; M29-Y31 HydrophobicContact CB-CE2 3.32Å; M29-Y31 HydrophobicContact CE-CE2 4.39Å; M29-Y31 WeakPolarHBondContact CE-OH 3.43Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 PolarHBondContact O-N 3.03Å; M29-Y31 VanDerWaalsContact O-N 3.09Å; M29-Y31 HydrophobicContact SD-CE2 3.8Å; M29-Y31 PolarHBondContact SD-OH 3Å; M29-F311 HydrophobicContact CB-CE2 4.24Å; M29-F311 HydrophobicContact CE-CE2 3.86Å; M29-F311 HydrophobicContact CE-CZ 4.46Å; M29-F311 HydrophobicContact CG-CE2 4.24Å | ||
| 30 | Q | 54.1 | Low | 58.4 | Low | 123 Ų | 123 | 98.8 Ų | 98.8 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | trans | -84.1 | 88.6 | 179.3 | -68.6 | -173.6 | 10.5 | 0 | 0 | 107 | K28 F32 | K28-Q30 WeakPolarHBondContact O-CG 3.46Å; K28-Q30 PolarHBondContact O-N 3.08Å; Q30-F32 HydrophobicContact CB-CE2 4.23Å; Q30-F32 HydrophobicContact CB-CZ 4.4Å; Q30-F32 WeakPolarHBondContact O-CD2 3.36Å | ||
| 31 | Y | 62.6 | Low | 60.7 | Low | 96 Ų | 96 | 100.1 Ų | 100.1 | 38% | 0.376 | 54% | 0.537 | S | S | . | . | trans | -78 | 127.1 | 166.3 | -65.4 | -76.7 | 0 | 0 | 0 | 108.2 | M29 I310 F311 Y324 | M29-Y31 VanDerWaalsContact C-N 3.34Å; M29-Y31 HydrophobicContact CB-CD2 3.81Å; M29-Y31 HydrophobicContact CB-CE2 3.32Å; M29-Y31 HydrophobicContact CE-CE2 4.39Å; M29-Y31 WeakPolarHBondContact CE-OH 3.43Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 PolarHBondContact O-N 3.03Å; M29-Y31 VanDerWaalsContact O-N 3.09Å; M29-Y31 HydrophobicContact SD-CE2 3.8Å; M29-Y31 PolarHBondContact SD-OH 3Å; Y31-I310 WeakPolarHBondContact CA-O 3.35Å; Y31-F311 HydrophobicContact CE1-CD2 4.46Å; Y31-Y324 HydrophobicContact CD1-CE2 4.43Å; Y31-Y324 AromaticContact CE1-CD2 3.83Å; Y31-Y324 HydrophobicContact CE1-CD2 3.83Å; Y31-Y324 AromaticContact CE1-CE2 3.79Å; Y31-Y324 HydrophobicContact CE1-CE2 3.79Å | ||
| 32 | F | 61.7 | Low | 62.9 | Low | 87 Ų | 87 | 96 Ų | 96 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | trans | -97.3 | 116.6 | 173.9 | -60.3 | -94.3 | 0 | 0 | 0 | 108.6 | Q30 D34 R309 I310 | Q30-F32 HydrophobicContact CB-CE2 4.23Å; Q30-F32 HydrophobicContact CB-CZ 4.4Å; Q30-F32 WeakPolarHBondContact O-CD2 3.36Å; F32-D34 PolarHBondContact O-N 3.33Å; F32-R309 WeakPolarHBondContact CD2-O 3.37Å; F32-R309 HydrophobicContact CE2-CG 4.5Å; F32-I310 PolarHBondContact N-O 3.27Å | ||
| 33 | D | 58.1 | Low | 65.4 | Low | 151 Ų | 151 | 89 Ų | 89 | 81% | 0.807 | 49% | 0.491 | S | S | * | . | trans | -82.7 | 5.2 | -163 | -80.8 | -29.7 | 0 | 0 | 0 | 116.8 | ||||
| 34 | D | 59.7 | Low | 67.8 | Low | 104 Ų | 104 | 87.8 Ų | 87.8 | 56% | 0.556 | 47% | 0.467 | S | S | * | . | trans | -123.4 | 92 | -173.2 | -58.1 | -47.1 | 0 | 0 | 0 | 113.4 | F32 K308 | F32-D34 PolarHBondContact O-N 3.33Å; D34-K308 VanDerWaalsContact O-CD 3.25Å; D34-K308 WeakPolarHBondContact O-CD 3.27Å; D34-K308 WeakPolarHBondContact O-CE 3.4Å; D34-K308 PolarHBondContact O-NZ 3.24Å | ||
| 35 | I | 69.9 | Low | 70.3 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 30% | 0.303 | 46% | 0.46 | S | S | . | . | trans | -100.3 | 99.6 | 155.8 | -56.1 | 155.6 | 0 | 0 | 0 | 106.2 | P37 T74 I310 A359 P361 | I35-P37 VanDerWaalsContact O-CD 3.26Å; I35-P37 WeakPolarHBondContact O-CD 3.5Å; I35-T74 HydrophobicContact CD1-CG2 3.96Å; I35-I310 HydrophobicContact CD1-CG2 4.21Å; I35-I310 HydrophobicContact CG1-CG2 4.19Å; I35-A359 HydrophobicContact CD1-CB 3.27Å; I35-A359 HydrophobicContact CG1-CB 3.68Å; I35-P361 HydrophobicContact CG2-CB 3.87Å | ||
| 36 | I | 74.5 | Confident | 72.8 | Confident | 138 Ų | 138 | 84.1 Ų | 84.1 | 71% | 0.708 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 118.3 | 177.7 | -58.2 | 173.9 | 0 | 0 | 0 | 107.5 | ||
| 37 | P | 78.6 | Confident | 75 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 150.9 | 175.8 | -15.4 | 29.5 | 0 | 0 | 0 | 111.3 | I35 G39 P72 | I35-P37 VanDerWaalsContact O-CD 3.26Å; I35-P37 WeakPolarHBondContact O-CD 3.5Å; P37-G39 PolarHBondContact O-N 2.8Å; P37-P72 HydrophobicContact CB-CB 3.56Å; P37-P72 HydrophobicContact CB-CG 4.35Å; P37-P72 HydrophobicContact CG-CB 4.15Å |
| 38 | F | 87.5 | Confident | 77.1 | Confident | 22 Ų | 22 | 81 Ų | 81 | 10% | 0.096 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 122.2 | 178.3 | -56.6 | -54.7 | 0 | 0 | 0 | 110.6 | E42 P361 S363 V378 G380 K383 | F38-E42 HydrophobicContact CB-CB 4.05Å; F38-E42 HydrophobicContact CD1-CB 4.17Å; F38-E42 HydrophobicContact CD1-CG 4.49Å; F38-E42 HydrophobicContact CG-CB 4.5Å; F38-P361 HydrophobicContact CE1-CG 4.42Å; F38-P361 HydrophobicContact CE2-CB 3.82Å; F38-P361 HydrophobicContact CE2-CG 3.81Å; F38-P361 HydrophobicContact CZ-CB 3.91Å; F38-P361 HydrophobicContact CZ-CG 3.5Å; F38-P361 VanDerWaalsContact CZ-CG 3.5Å; F38-S363 WeakPolarHBondContact CB-OG 3.34Å; F38-S363 PolarHBondContact N-OG 3.16Å; F38-V378 HydrophobicContact CD2-CB 4.3Å; F38-V378 HydrophobicContact CD2-CG1 3.89Å; F38-V378 HydrophobicContact CE2-CG1 4.21Å; F38-V378 HydrophobicContact CG-CG1 4.41Å; F38-G380 WeakPolarHBondContact CZ-O 3.42Å; F38-K383 HydrophobicContact CD1-CG 4.38Å; F38-K383 HydrophobicContact CE1-CG 3.9Å; F38-K383 HydrophobicContact CZ-CG 4.18Å |
| 39 | G | 88.6 | Confident | 79.2 | Confident | 29 Ų | 29 | 77.3 Ų | 77.3 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | trans | -75.2 | 178.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P37 F41 E42 C43 | P37-G39 PolarHBondContact O-N 2.8Å; G39-F41 VanDerWaalsContact C-N 3.26Å; G39-F41 PolarHBondContact O-N 3.23Å; G39-E42 WeakPolarHBondContact CA-OE2 3.48Å; G39-E42 PolarHBondContact N-OE2 2.87Å; G39-E42 PolarHBondContact O-N 2.94Å; G39-C43 WeakPolarHBondContact O-CB 3.32Å; G39-C43 PolarHBondContact O-N 3.41Å; G39-C43 PolarHBondContact O-SG 2.93Å | ||
| 40 | E | 91.3 | Very high | 80.9 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 178.5 | -174.2 | -179.3 | 165.3 | 0 | 0 | 112 | C43 R44 F67 I70 | E40-C43 PolarHBondContact O-N 3.42Å; E40-R44 HydrophobicContact CG-CG 4.43Å; E40-R44 WeakPolarHBondContact O-CB 3.46Å; E40-R44 WeakPolarHBondContact O-CG 3.41Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 IonicContact OE1-CZ 3.2Å; E40-R44 IonicContact OE1-NE 2.83Å; E40-R44 PolarHBondContact OE1-NE 2.83Å; E40-R44 IonicContact OE1-NH2 2.73Å; E40-R44 PolarHBondContact OE1-NH2 2.97Å; E40-F67 HydrophobicContact CG-CB 4.28Å; E40-F67 HydrophobicContact CG-CD2 3.8Å; E40-F67 HydrophobicContact CG-CG 4.39Å; E40-I70 VanDerWaalsContact CA-CD1 3.48Å; E40-I70 HydrophobicContact CB-CD1 3.88Å; E40-I70 HydrophobicContact CG-CD1 4.43Å |
| 41 | F | 91.1 | Very high | 82.5 | Confident | 152 Ų | 152 | 69.6 Ų | 69.6 | 67% | 0.667 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.2 | -50 | 180 | 178.8 | -98.4 | 0 | 0 | 0 | 111.6 | G39 C43 R44 E45 | G39-F41 VanDerWaalsContact C-N 3.26Å; G39-F41 PolarHBondContact O-N 3.23Å; F41-C43 VanDerWaalsContact C-N 3.3Å; F41-C43 PolarHBondContact O-N 2.85Å; F41-R44 PolarHBondContact O-N 2.73Å; F41-E45 WeakPolarHBondContact O-CB 3.5Å; F41-E45 PolarHBondContact O-N 3.38Å |
| 42 | E | 92.2 | Very high | 83.6 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 178.2 | -66.4 | 77.7 | -171 | 0 | 0 | 111.5 | F38 G39 E45 A46 K383 | F38-E42 HydrophobicContact CB-CB 4.05Å; F38-E42 HydrophobicContact CD1-CB 4.17Å; F38-E42 HydrophobicContact CD1-CG 4.49Å; F38-E42 HydrophobicContact CG-CB 4.5Å; G39-E42 WeakPolarHBondContact CA-OE2 3.48Å; G39-E42 PolarHBondContact N-OE2 2.87Å; G39-E42 PolarHBondContact O-N 2.94Å; E42-E45 PolarHBondContact O-N 3.02Å; E42-A46 WeakPolarHBondContact O-CB 3.44Å; E42-A46 PolarHBondContact O-N 2.95Å; E42-K383 HydrophobicContact CB-CD 4.42Å |
| 43 | C | 92.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 177.6 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | G39 E40 F41 L47 F67 V365 V378 | G39-C43 WeakPolarHBondContact O-CB 3.32Å; G39-C43 PolarHBondContact O-N 3.41Å; G39-C43 PolarHBondContact O-SG 2.93Å; E40-C43 PolarHBondContact O-N 3.42Å; F41-C43 VanDerWaalsContact C-N 3.3Å; F41-C43 PolarHBondContact O-N 2.85Å; C43-L47 WeakPolarHBondContact O-CB 3.47Å; C43-L47 PolarHBondContact O-N 3.42Å; C43-F67 HydrophobicContact CB-CD2 4.28Å; C43-F67 HydrophobicContact CB-CE2 3.72Å; C43-V365 HydrophobicContact CB-CG2 4.01Å; C43-V378 HydrophobicContact CB-CG2 4.11Å |
| 44 | R | 92.2 | Very high | 85.9 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 176.5 | -74.8 | -175.2 | -175.5 | -77.2 | 2.2 | 111.5 | E40 F41 A46 L47 E48 M65 F67 | E40-R44 HydrophobicContact CG-CG 4.43Å; E40-R44 WeakPolarHBondContact O-CB 3.46Å; E40-R44 WeakPolarHBondContact O-CG 3.41Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 IonicContact OE1-CZ 3.2Å; E40-R44 IonicContact OE1-NE 2.83Å; E40-R44 PolarHBondContact OE1-NE 2.83Å; E40-R44 IonicContact OE1-NH2 2.73Å; E40-R44 PolarHBondContact OE1-NH2 2.97Å; F41-R44 PolarHBondContact O-N 2.73Å; R44-A46 VanDerWaalsContact C-N 3.35Å; R44-A46 PolarHBondContact O-N 3.29Å; R44-L47 PolarHBondContact O-N 2.89Å; R44-E48 WeakPolarHBondContact O-CG 3.17Å; R44-E48 PolarHBondContact O-N 2.82Å; R44-M65 PolarHBondContact NH1-O 3.09Å; R44-M65 PolarHBondContact NH2-O 3.38Å; R44-F67 HydrophobicContact CB-CE2 4.28Å; R44-F67 HydrophobicContact CB-CZ 4.46Å; R44-F67 HydrophobicContact CG-CD2 3.99Å; R44-F67 HydrophobicContact CG-CE1 4.4Å; R44-F67 HydrophobicContact CG-CE2 3.33Å; R44-F67 HydrophobicContact CG-CZ 3.56Å |
| 45 | E | 92.6 | Very high | 86.6 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 176.4 | -174.3 | -168.8 | -159.4 | 0 | 0 | 111.5 | F41 E42 L47 E48 K49 K383 | F41-E45 WeakPolarHBondContact O-CB 3.5Å; F41-E45 PolarHBondContact O-N 3.38Å; E42-E45 PolarHBondContact O-N 3.02Å; E45-L47 PolarHBondContact O-N 3.2Å; E45-E48 PolarHBondContact O-N 3.39Å; E45-K49 PolarHBondContact O-N 2.9Å; E45-K383 IonicContact OE2-NZ 2.74Å; E45-K383 PolarHBondContact OE2-NZ 2.95Å |
| 46 | A | 92.5 | Very high | 86.8 | Confident | 4 Ų | 4 | 82.2 Ų | 82.2 | 3% | 0.033 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E42 R44 K49 E50 V378 K383 C385 | E42-A46 WeakPolarHBondContact O-CB 3.44Å; E42-A46 PolarHBondContact O-N 2.95Å; R44-A46 VanDerWaalsContact C-N 3.35Å; R44-A46 PolarHBondContact O-N 3.29Å; A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.18Å; A46-E50 PolarHBondContact O-N 3.34Å; A46-V378 HydrophobicContact CB-CG1 3.77Å; A46-V378 HydrophobicContact CB-CG2 4.27Å; A46-K383 HydrophobicContact CB-CB 3.81Å; A46-K383 WeakPolarHBondContact CB-O 3.27Å; A46-C385 VanDerWaalsContact C-SG 3.57Å |
| 47 | L | 90.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 178.5 | -179.8 | 57.3 | 0 | 0 | 0 | 111.7 | C43 R44 E45 K49 E50 V51 W57 V62 M65 F67 F376 F387 | C43-L47 WeakPolarHBondContact O-CB 3.47Å; C43-L47 PolarHBondContact O-N 3.42Å; R44-L47 PolarHBondContact O-N 2.89Å; E45-L47 PolarHBondContact O-N 3.2Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 3Å; L47-E50 PolarHBondContact O-N 3.25Å; L47-V51 HydrophobicContact CD1-CG2 4.13Å; L47-V51 HydrophobicContact CG-CG2 4.28Å; L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 3.36Å; L47-W57 HydrophobicContact CD1-CZ3 4.35Å; L47-V62 HydrophobicContact CD2-CG1 3.78Å; L47-V62 HydrophobicContact CG-CG1 3.86Å; L47-M65 HydrophobicContact CD2-SD 3.91Å; L47-F67 HydrophobicContact CD2-CE1 4.14Å; L47-F67 HydrophobicContact CD2-CZ 3.91Å; L47-F376 HydrophobicContact CB-CE2 4.47Å; L47-F376 HydrophobicContact CD2-CE1 4.26Å; L47-F376 HydrophobicContact CD2-CZ 4.02Å; L47-F387 HydrophobicContact CD1-CE2 4.11Å; L47-F387 HydrophobicContact CD1-CZ 3.6Å |
| 48 | E | 89.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 80.3 Ų | 80.3 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -36.9 | 177.3 | -75.3 | -168.7 | 169.4 | 0 | 0 | 112.8 | R44 E45 K52 V62 | R44-E48 WeakPolarHBondContact O-CG 3.17Å; R44-E48 PolarHBondContact O-N 2.82Å; E45-E48 PolarHBondContact O-N 3.39Å; E48-K52 WeakPolarHBondContact O-CG 3.38Å; E48-K52 PolarHBondContact O-N 3.48Å; E48-V62 HydrophobicContact CG-CG1 3.99Å |
| 49 | K | 90 | Very high | 86.6 | Confident | 110 Ų | 110 | 82.4 Ų | 82.4 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.4 | -173.8 | 179.6 | 179 | -177.6 | 0 | 111.3 | E45 A46 L47 K52 | E45-K49 PolarHBondContact O-N 2.9Å; A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.18Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 3Å; K49-K52 PolarHBondContact O-N 3.48Å |
| 50 | E | 88.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 89.4 Ų | 89.4 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 179.2 | -166.7 | 62.7 | -159.8 | 0 | 0 | 111.6 | A46 L47 K52 R53 H54 W57 C385 | A46-E50 PolarHBondContact O-N 3.34Å; L47-E50 PolarHBondContact O-N 3.25Å; E50-K52 PolarHBondContact O-N 3.05Å; E50-R53 WeakPolarHBondContact O-CA 3.41Å; E50-R53 VanDerWaalsContact O-CB 3.32Å; E50-R53 WeakPolarHBondContact O-CB 3.37Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 WeakPolarHBondContact OE2-CD 3.24Å; E50-R53 IonicContact OE2-CZ 3.25Å; E50-R53 IonicContact OE2-NH1 3.88Å; E50-R53 PolarHBondContact OE2-NH1 2.99Å; E50-H54 PolarHBondContact O-CD2 2.96Å; E50-H54 VanDerWaalsContact O-CD2 3.29Å; E50-H54 PolarHBondContact O-N 3.49Å; E50-H54 IonicContact OE1-CD2 3.62Å; E50-H54 IonicContact OE1-NE2 2.95Å; E50-H54 PolarHBondContact OE1-NE2 3.25Å; E50-W57 HydrophobicContact CB-CZ3 4.41Å; E50-W57 HydrophobicContact CG-CH2 4.23Å; E50-W57 HydrophobicContact CG-CZ3 4.02Å; E50-C385 HydrophobicContact CB-CB 4Å; E50-C385 HydrophobicContact CG-CB 3.93Å |
| 51 | V | 88 | Confident | 85.8 | Confident | 5 Ų | 5 | 85.7 Ų | 85.7 | 3% | 0.03 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.5 | -38.3 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | L47 R53 H54 W57 V62 | L47-V51 HydrophobicContact CD1-CG2 4.13Å; L47-V51 HydrophobicContact CG-CG2 4.28Å; L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 3.36Å; V51-R53 PolarHBondContact O-N 3.05Å; V51-H54 PolarHBondContact O-N 3.3Å; V51-W57 HydrophobicContact CB-CB 4.33Å; V51-W57 HydrophobicContact CB-CE3 4.11Å; V51-W57 HydrophobicContact CG1-CB 3.8Å; V51-W57 HydrophobicContact CG2-CE3 3.56Å; V51-W57 HydrophobicContact CG2-CZ3 4.19Å; V51-V62 HydrophobicContact CB-CG2 4.14Å; V51-V62 HydrophobicContact CG1-CG2 4Å; V51-V62 HydrophobicContact CG2-CG2 3.23Å |
| 52 | K | 86.1 | Confident | 85.3 | Confident | 164 Ų | 164 | 79 Ų | 79 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67 | -23.3 | 177.5 | -69.1 | 171.7 | -175.1 | 172.2 | 0 | 113 | E48 K49 E50 | E48-K52 WeakPolarHBondContact O-CG 3.38Å; E48-K52 PolarHBondContact O-N 3.48Å; K49-K52 PolarHBondContact O-N 3.48Å; E50-K52 PolarHBondContact O-N 3.05Å |
| 53 | R | 84.8 | Confident | 84.8 | Confident | 143 Ų | 143 | 83.5 Ų | 83.5 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -81.1 | -21.9 | 178.2 | -63.8 | 172.2 | 171.3 | 174.6 | -9.7 | 112.4 | E50 V51 | E50-R53 WeakPolarHBondContact O-CA 3.41Å; E50-R53 VanDerWaalsContact O-CB 3.32Å; E50-R53 WeakPolarHBondContact O-CB 3.37Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 WeakPolarHBondContact OE2-CD 3.24Å; E50-R53 IonicContact OE2-CZ 3.25Å; E50-R53 IonicContact OE2-NH1 3.88Å; E50-R53 PolarHBondContact OE2-NH1 2.99Å; V51-R53 PolarHBondContact O-N 3.05Å |
| 54 | H | 81.6 | Confident | 84.5 | Confident | 71 Ų | 71 | 91.3 Ų | 91.3 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | trans | -102.3 | 115 | -178.7 | -69.9 | -77 | 0 | 0 | 0 | 111.7 | E50 V51 Y56 W57 | E50-H54 PolarHBondContact O-CD2 2.96Å; E50-H54 VanDerWaalsContact O-CD2 3.29Å; E50-H54 PolarHBondContact O-N 3.49Å; E50-H54 IonicContact OE1-CD2 3.62Å; E50-H54 IonicContact OE1-NE2 2.95Å; E50-H54 PolarHBondContact OE1-NE2 3.25Å; V51-H54 PolarHBondContact O-N 3.3Å; H54-Y56 PolarHBondContact O-N 2.91Å; H54-W57 HydrophobicContact CB-CB 4.03Å; H54-W57 VanDerWaalsContact CB-CD1 3.45Å; H54-W57 HydrophobicContact CB-CD2 3.57Å; H54-W57 HydrophobicContact CB-CE3 4.33Å; H54-W57 HydrophobicContact CB-CG 3.42Å; H54-W57 VanDerWaalsContact CB-CG 3.42Å; H54-W57 HydrophobicContact CB-CZ2 4.43Å; H54-W57 AromaticContact CD2-CD2 3.96Å; H54-W57 AromaticContact CD2-CE2 3.76Å; H54-W57 AromaticContact CD2-CH2 3.77Å; H54-W57 AromaticContact CD2-CZ2 3.67Å; H54-W57 AromaticContact CD2-CZ3 3.99Å; H54-W57 AromaticContact CG-CD2 3.88Å; H54-W57 AromaticContact CG-CE2 3.58Å; H54-W57 AromaticContact CG-CZ2 3.87Å; H54-W57 AromaticContact CG-NE1 3.79Å; H54-W57 PolarHBondContact O-N 3.41Å; H54-W57 VanDerWaalsContact O-N 3.08Å | ||
| 55 | R | 74.6 | Confident | 84.3 | Confident | 224 Ų | 224 | 89 Ų | 89 | 85% | 0.845 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29.2 | -177.2 | -175 | 176.8 | 179.4 | 178.5 | 0.2 | 114.4 | ||
| 56 | Y | 75.2 | Confident | 84.1 | Confident | 161 Ų | 161 | 88.4 Ų | 88.4 | 63% | 0.631 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1.5 | -174.6 | -57 | -69.1 | 0 | 0 | 0 | 113.5 | H54 C394 | H54-Y56 PolarHBondContact O-N 2.91Å; Y56-C394 PolarHBondContact O-SG 3.02Å |
| 57 | W | 75.9 | Confident | 84.1 | Confident | 57 Ų | 57 | 89 Ų | 89 | 22% | 0.216 | 39% | 0.39 | C | S | . | . | trans | -94.6 | 125.1 | -177.1 | -65.5 | 19 | 0 | 0 | 0 | 110.5 | L47 E50 V51 H54 F387 | L47-W57 HydrophobicContact CD1-CZ3 4.35Å; E50-W57 HydrophobicContact CB-CZ3 4.41Å; E50-W57 HydrophobicContact CG-CH2 4.23Å; E50-W57 HydrophobicContact CG-CZ3 4.02Å; V51-W57 HydrophobicContact CB-CB 4.33Å; V51-W57 HydrophobicContact CB-CE3 4.11Å; V51-W57 HydrophobicContact CG1-CB 3.8Å; V51-W57 HydrophobicContact CG2-CE3 3.56Å; V51-W57 HydrophobicContact CG2-CZ3 4.19Å; H54-W57 HydrophobicContact CB-CB 4.03Å; H54-W57 VanDerWaalsContact CB-CD1 3.45Å; H54-W57 HydrophobicContact CB-CD2 3.57Å; H54-W57 HydrophobicContact CB-CE3 4.33Å; H54-W57 HydrophobicContact CB-CG 3.42Å; H54-W57 VanDerWaalsContact CB-CG 3.42Å; H54-W57 HydrophobicContact CB-CZ2 4.43Å; H54-W57 AromaticContact CD2-CD2 3.96Å; H54-W57 AromaticContact CD2-CE2 3.76Å; H54-W57 AromaticContact CD2-CH2 3.77Å; H54-W57 AromaticContact CD2-CZ2 3.67Å; H54-W57 AromaticContact CD2-CZ3 3.99Å; H54-W57 AromaticContact CG-CD2 3.88Å; H54-W57 AromaticContact CG-CE2 3.58Å; H54-W57 AromaticContact CG-CZ2 3.87Å; H54-W57 AromaticContact CG-NE1 3.79Å; H54-W57 PolarHBondContact O-N 3.41Å; H54-W57 VanDerWaalsContact O-N 3.08Å; W57-F387 AromaticContact CH2-CD2 3.74Å; W57-F387 HydrophobicContact CH2-CD2 3.74Å; W57-F387 AromaticContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CE2 3.47Å; W57-F387 VanDerWaalsContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CZ 4.16Å; W57-F387 AromaticContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CZ 4.21Å | ||
| 58 | K | 79.3 | Confident | 84.2 | Confident | 115 Ų | 115 | 92.5 Ų | 92.5 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | trans | -90.9 | 119.7 | -179 | -67 | 176.1 | -172.5 | 153.3 | 0 | 110.8 | K60 T61 L397 | K58-K60 PolarHBondContact O-N 3.35Å; K58-K60 VanDerWaalsContact O-N 3.16Å; K58-T61 PolarHBondContact O-N 3.34Å; K58-L397 PolarHBondContact NZ-O 3.21Å; K58-L397 PolarHBondContact NZ-OXT 3.02Å | ||
| 59 | S | 81.4 | Confident | 84.4 | Confident | 66 Ų | 66 | 94.7 Ų | 94.7 | 46% | 0.462 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.8 | -28.2 | 176.3 | -46.9 | 0 | 0 | 0 | 0 | 113.7 | T61 V62 K63 | S59-T61 PolarHBondContact O-N 3.2Å; S59-V62 PolarHBondContact O-N 2.82Å; S59-K63 PolarHBondContact O-N 2.88Å |
| 60 | K | 81.6 | Confident | 84.6 | Confident | 175 Ų | 175 | 91.6 Ų | 91.6 | 76% | 0.761 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.8 | -29.4 | 175.2 | -72.9 | -173.4 | 178.8 | -179.6 | 0 | 112.5 | K58 | K58-K60 PolarHBondContact O-N 3.35Å; K58-K60 VanDerWaalsContact O-N 3.16Å |
| 61 | T | 79.9 | Confident | 84.8 | Confident | 15 Ų | 15 | 93.3 Ų | 93.3 | 9% | 0.092 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -81.6 | -35.7 | -175.8 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | K58 S59 K63 K64 M65 L369 L397 | K58-T61 PolarHBondContact O-N 3.34Å; S59-T61 PolarHBondContact O-N 3.2Å; T61-K63 VanDerWaalsContact C-N 3.29Å; T61-K63 PolarHBondContact O-N 3.37Å; T61-K64 PolarHBondContact O-N 2.8Å; T61-M65 PolarHBondContact O-N 3.01Å; T61-L369 HydrophobicContact CG2-CD1 3.78Å; T61-L369 HydrophobicContact CG2-CD2 3.4Å; T61-L369 HydrophobicContact CG2-CG 4.18Å; T61-L397 HydrophobicContact CG2-CD2 3.22Å; T61-L397 HydrophobicContact CG2-CG 4.43Å; T61-L397 PolarHBondContact OG1-OXT 2.89Å |
| 62 | V | 81.3 | Confident | 85 | Confident | 11 Ų | 11 | 97 Ų | 97 | 7% | 0.067 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.2 | -42.5 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | L47 E48 V51 S59 K64 M65 | L47-V62 HydrophobicContact CD2-CG1 3.78Å; L47-V62 HydrophobicContact CG-CG1 3.86Å; E48-V62 HydrophobicContact CG-CG1 3.99Å; V51-V62 HydrophobicContact CB-CG2 4.14Å; V51-V62 HydrophobicContact CG1-CG2 4Å; V51-V62 HydrophobicContact CG2-CG2 3.23Å; S59-V62 PolarHBondContact O-N 2.82Å; V62-K64 PolarHBondContact O-N 2.8Å; V62-M65 WeakPolarHBondContact O-CB 3.24Å; V62-M65 PolarHBondContact O-N 2.81Å; V62-M65 VanDerWaalsContact O-N 3.13Å |
| 63 | K | 83.1 | Confident | 85.3 | Confident | 158 Ų | 158 | 92 Ų | 92 | 69% | 0.687 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.3 | 177.2 | -66.9 | -170.9 | 177.6 | -167.5 | 0 | 113.9 | S59 T61 | S59-K63 PolarHBondContact O-N 2.88Å; T61-K63 VanDerWaalsContact C-N 3.29Å; T61-K63 PolarHBondContact O-N 3.37Å |
| 64 | K | 85.1 | Confident | 85.6 | Confident | 165 Ų | 165 | 87.8 Ų | 87.8 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -8.6 | 177.5 | -66.5 | -178.2 | 178.3 | -172.8 | 0 | 112.9 | T61 V62 N66 L369 | T61-K64 PolarHBondContact O-N 2.8Å; V62-K64 PolarHBondContact O-N 2.8Å; K64-N66 PolarHBondContact O-N 3.07Å; K64-L369 HydrophobicContact CB-CD1 4.01Å |
| 65 | M | 87.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 84.4 Ų | 84.4 | 6% | 0.059 | 39% | 0.394 | C | S | . | . | trans | -71 | 127.5 | 177 | -74.5 | -179.7 | 167.6 | 0 | 0 | 109.9 | R44 L47 T61 V62 F67 F367 L369 L397 | R44-M65 PolarHBondContact NH1-O 3.09Å; R44-M65 PolarHBondContact NH2-O 3.38Å; L47-M65 HydrophobicContact CD2-SD 3.91Å; T61-M65 PolarHBondContact O-N 3.01Å; V62-M65 WeakPolarHBondContact O-CB 3.24Å; V62-M65 PolarHBondContact O-N 2.81Å; V62-M65 VanDerWaalsContact O-N 3.13Å; M65-F67 HydrophobicContact CB-CE1 4.2Å; M65-F367 HydrophobicContact CE-CD2 4.1Å; M65-F367 HydrophobicContact CE-CE2 3.68Å; M65-F367 HydrophobicContact CE-CZ 4.26Å; M65-F367 HydrophobicContact CG-CD2 4.22Å; M65-F367 HydrophobicContact SD-CD2 4.07Å; M65-F367 HydrophobicContact SD-CE2 4.24Å; M65-L369 HydrophobicContact CE-CD2 4.01Å; M65-L369 HydrophobicContact CG-CB 4.24Å; M65-L369 HydrophobicContact CG-CD1 3.91Å; M65-L369 HydrophobicContact CG-CD2 4.43Å; M65-L369 HydrophobicContact CG-CG 4.41Å; M65-L397 HydrophobicContact CE-CD2 4.3Å | ||
| 66 | N | 90 | Very high | 86.9 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.2 | 170.4 | -168.9 | 48.3 | 0 | 0 | 0 | 109.5 | K64 D68 F367 S368 | K64-N66 PolarHBondContact O-N 3.07Å; N66-D68 PolarHBondContact ND2-OD1 3.29Å; N66-F367 CarbonylContact O-C 3.55Å; N66-F367 WeakPolarHBondContact O-CA 3.23Å; N66-F367 VanDerWaalsContact O-CB 3.28Å; N66-F367 WeakPolarHBondContact O-CB 3.42Å; N66-S368 PolarHBondContact N-O 3.29Å; N66-S368 PolarHBondContact O-N 2.76Å |
| 67 | F | 92.3 | Very high | 87.9 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 105.4 | 176.7 | -71.1 | 9.9 | 0 | 0 | 0 | 106.7 | E40 C43 R44 L47 M65 I70 V365 F367 F376 | E40-F67 HydrophobicContact CG-CB 4.28Å; E40-F67 HydrophobicContact CG-CD2 3.8Å; E40-F67 HydrophobicContact CG-CG 4.39Å; C43-F67 HydrophobicContact CB-CD2 4.28Å; C43-F67 HydrophobicContact CB-CE2 3.72Å; R44-F67 HydrophobicContact CB-CE2 4.28Å; R44-F67 HydrophobicContact CB-CZ 4.46Å; R44-F67 HydrophobicContact CG-CD2 3.99Å; R44-F67 HydrophobicContact CG-CE1 4.4Å; R44-F67 HydrophobicContact CG-CE2 3.33Å; R44-F67 HydrophobicContact CG-CZ 3.56Å; L47-F67 HydrophobicContact CD2-CE1 4.14Å; L47-F67 HydrophobicContact CD2-CZ 3.91Å; M65-F67 HydrophobicContact CB-CE1 4.2Å; F67-I70 HydrophobicContact CD2-CD1 4.43Å; F67-V365 HydrophobicContact CB-CG1 4.18Å; F67-V365 HydrophobicContact CD1-CG1 4.07Å; F67-V365 HydrophobicContact CD2-CG1 3.69Å; F67-V365 HydrophobicContact CE1-CG1 4.42Å; F67-V365 HydrophobicContact CE2-CG1 4.07Å; F67-V365 HydrophobicContact CG-CG1 3.72Å; F67-V365 HydrophobicContact CZ-CG1 4.44Å; F67-F367 HydrophobicContact CD1-CB 4.15Å; F67-F376 HydrophobicContact CE1-CE1 4.04Å; F67-F376 HydrophobicContact CE1-CZ 4.09Å; F67-F376 HydrophobicContact CE2-CZ 4.02Å; F67-F376 HydrophobicContact CZ-CE1 4.05Å; F67-F376 AromaticContact CZ-CZ 3.61Å; F67-F376 HydrophobicContact CZ-CZ 3.61Å |
| 68 | D | 92.2 | Very high | 88.8 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -37.8 | -171.2 | -56.3 | -38.4 | 0 | 0 | 0 | 111.4 | N66 H366 S368 | N66-D68 PolarHBondContact ND2-OD1 3.29Å; D68-H366 PolarHBondContact N-O 2.82Å; D68-S368 PolarHBondContact OD1-OG 3.08Å; D68-S368 VanDerWaalsContact OD2-CB 3.24Å; D68-S368 WeakPolarHBondContact OD2-CB 3.41Å; D68-S368 PolarHBondContact OD2-N 2.77Å; D68-S368 PolarHBondContact OD2-OG 3.37Å |
| 69 | R | 94.2 | Very high | 89.6 | Confident | 130 Ų | 130 | 59 Ų | 59 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 139.4 | -178.9 | -170.7 | 174.9 | 74.1 | 163.3 | 5.5 | 110.9 | E71 H366 | R69-E71 HydrophobicContact CG-CG 4.37Å; R69-E71 VanDerWaalsContact CZ-CD 3.45Å; R69-E71 IonicContact CZ-OE1 3.38Å; R69-E71 IonicContact NE-OE1 2.6Å; R69-E71 PolarHBondContact NE-OE1 2.6Å; R69-E71 IonicContact NH1-OE1 3.47Å; R69-E71 PolarHBondContact NH1-OE1 3.47Å; R69-E71 IonicContact NH2-OE1 3.29Å; R69-E71 PolarHBondContact NH2-OE1 3.25Å; R69-E71 IonicContact NH2-OE2 2.86Å; R69-E71 PolarHBondContact NH2-OE2 2.95Å; R69-H366 HydrophobicContact CB-CB 4.14Å; R69-H366 PolarHBondContact N-O 2.99Å; R69-H366 PolarHBondContact NH2-NE2 2.68Å; R69-H366 PolarHBondContact O-N 2.86Å |
| 70 | I | 94.4 | Very high | 90.4 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.1 | 173.8 | -55.2 | 177 | 0 | 0 | 0 | 108 | E40 F67 P72 K364 V365 | E40-I70 VanDerWaalsContact CA-CD1 3.48Å; E40-I70 HydrophobicContact CB-CD1 3.88Å; E40-I70 HydrophobicContact CG-CD1 4.43Å; F67-I70 HydrophobicContact CD2-CD1 4.43Å; I70-P72 WeakPolarHBondContact O-CD 3.49Å; I70-K364 WeakPolarHBondContact CA-O 3.34Å; I70-V365 HydrophobicContact CG1-CG1 4.37Å; I70-V365 HydrophobicContact CG1-CG2 4.31Å; I70-V365 HydrophobicContact CG2-CG2 4.39Å |
| 71 | E | 93.8 | Very high | 91.1 | Very high | 64 Ų | 64 | 48 Ų | 48 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109.8 | 175.9 | -61.8 | -173.1 | 136.5 | 0 | 0 | 109.4 | R69 K364 H366 | R69-E71 HydrophobicContact CG-CG 4.37Å; R69-E71 VanDerWaalsContact CZ-CD 3.45Å; R69-E71 IonicContact CZ-OE1 3.38Å; R69-E71 IonicContact NE-OE1 2.6Å; R69-E71 PolarHBondContact NE-OE1 2.6Å; R69-E71 IonicContact NH1-OE1 3.47Å; R69-E71 PolarHBondContact NH1-OE1 3.47Å; R69-E71 IonicContact NH2-OE1 3.29Å; R69-E71 PolarHBondContact NH2-OE1 3.25Å; R69-E71 IonicContact NH2-OE2 2.86Å; R69-E71 PolarHBondContact NH2-OE2 2.95Å; E71-K364 HydrophobicContact CB-CB 4.25Å; E71-K364 PolarHBondContact N-O 2.91Å; E71-K364 PolarHBondContact O-N 3.37Å; E71-H366 IonicContact OE2-NE2 2.8Å; E71-H366 PolarHBondContact OE2-NE2 3.43Å |
| 72 | P | 91.7 | Very high | 91.8 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 54% | 0.539 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.1 | 176.1 | 33.2 | -35 | 0 | 0 | 0 | 110.8 | P37 I70 I362 | P37-P72 HydrophobicContact CB-CB 3.56Å; P37-P72 HydrophobicContact CB-CG 4.35Å; P37-P72 HydrophobicContact CG-CB 4.15Å; I70-P72 WeakPolarHBondContact O-CD 3.49Å; P72-I362 WeakPolarHBondContact CA-O 3.39Å |
| 73 | S | 91.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 171 | 171 | 63.1 | 0 | 0 | 0 | 0 | 109.8 | I362 | S73-I362 PolarHBondContact N-O 2.86Å; S73-I362 CarbonylContact O-C 3.58Å; S73-I362 WeakPolarHBondContact O-CA 3.44Å; S73-I362 PolarHBondContact O-N 3.18Å; S73-I362 WeakPolarHBondContact OG-CB 3.39Å; S73-I362 WeakPolarHBondContact OG-CG2 3.35Å |
| 74 | T | 90.9 | Very high | 93 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.4 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | I35 I76 A359 I360 | I35-T74 HydrophobicContact CD1-CG2 3.96Å; T74-I76 HydrophobicContact CG2-CD1 3.8Å; T74-A359 HydrophobicContact CG2-CB 3.75Å; T74-I360 WeakPolarHBondContact CA-O 3.06Å |
| 75 | S | 92.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.1 | 164.4 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | T293 I360 | S75-T293 PolarHBondContact OG-O 2.71Å; S75-T293 VanDerWaalsContact OG-O 3.13Å; S75-I360 PolarHBondContact N-O 2.87Å; S75-I360 WeakPolarHBondContact O-CB 3.36Å; S75-I360 PolarHBondContact O-N 3.29Å |
| 76 | I | 92.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.2 | 179.3 | -55.7 | -54.3 | 0 | 0 | 0 | 108.6 | T74 Y292 T293 I310 Y324 V329 M357 A359 | T74-I76 HydrophobicContact CG2-CD1 3.8Å; I76-Y292 WeakPolarHBondContact O-CA 3.38Å; I76-T293 HydrophobicContact CB-CG2 3.79Å; I76-T293 HydrophobicContact CG1-CG2 4.42Å; I76-T293 PolarHBondContact N-OG1 3.26Å; I76-T293 PolarHBondContact O-N 3.14Å; I76-I310 HydrophobicContact CD1-CD1 3.72Å; I76-Y324 HydrophobicContact CG1-CE1 4.49Å; I76-V329 HydrophobicContact CB-CG2 4.39Å; I76-V329 HydrophobicContact CG2-CG2 4.08Å; I76-M357 HydrophobicContact CG2-CB 3.88Å; I76-M357 HydrophobicContact CG2-CG 3.99Å; I76-M357 HydrophobicContact CG2-SD 3.81Å; I76-A359 HydrophobicContact CD1-CB 4.11Å |
| 77 | H | 95.1 | Very high | 93.8 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 102.2 | 170 | -179.9 | -157.6 | 0 | 0 | 0 | 108.8 | I79 E290 H291 Y292 M357 N358 I360 | H77-I79 VanDerWaalsContact CE1-CD1 3.4Å; H77-I79 WeakPolarHBondContact CE1-CD1 3.48Å; H77-I79 WeakPolarHBondContact NE2-CG1 3.24Å; H77-I79 WeakPolarHBondContact O-CD1 3.37Å; H77-E290 IonicContact CE1-OE1 2.64Å; H77-E290 PolarHBondContact CE1-OE1 2.87Å; H77-E290 IonicContact NE2-OE1 3.37Å; H77-E290 PolarHBondContact NE2-OE1 3.04Å; H77-E290 VanDerWaalsContact NE2-OE1 3.17Å; H77-H291 CarbonylContact C-O 3.48Å; H77-H291 WeakPolarHBondContact CA-O 3.26Å; H77-Y292 HydrophobicContact CB-CD1 3.77Å; H77-Y292 HydrophobicContact CB-CE1 3.57Å; H77-Y292 AromaticContact CD2-CE1 3.56Å; H77-Y292 AromaticContact CD2-CE2 3.83Å; H77-Y292 AromaticContact CD2-CZ 3.44Å; H77-Y292 VanDerWaalsContact CD2-CZ 3.44Å; H77-Y292 AromaticContact CE1-CZ 3.78Å; H77-Y292 PolarHBondContact CE1-OH 3.21Å; H77-Y292 VanDerWaalsContact CE1-OH 3.25Å; H77-Y292 AromaticContact CG-CD1 3.94Å; H77-Y292 AromaticContact CG-CE1 3.36Å; H77-Y292 AromaticContact CG-CZ 3.64Å; H77-Y292 AromaticContact ND1-CE1 3.8Å; H77-Y292 AromaticContact ND1-CZ 3.84Å; H77-Y292 AromaticContact NE2-CE2 3.93Å; H77-Y292 AromaticContact NE2-CZ 3.56Å; H77-Y292 PolarHBondContact NE2-OH 3.33Å; H77-M357 CarbonylContact O-C 3.54Å; H77-M357 VanDerWaalsContact O-CA 3.32Å; H77-M357 WeakPolarHBondContact O-CA 3.46Å; H77-N358 HydrophobicContact CB-CB 4.3Å; H77-N358 PolarHBondContact N-O 3.26Å; H77-N358 PolarHBondContact O-N 2.85Å; H77-I360 HydrophobicContact CB-CD1 4.11Å |
| 78 | Y | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130 | 176.1 | 174.5 | -106.4 | 0 | 0 | 0 | 110.5 | L80 E290 H291 I321 V329 S333 F336 H355 M357 | Y78-L80 HydrophobicContact CE1-CB 4.38Å; Y78-E290 CarbonylContact O-C 3.52Å; Y78-E290 WeakPolarHBondContact O-CA 3.36Å; Y78-H291 PolarHBondContact N-O 2.96Å; Y78-H291 PolarHBondContact O-N 3.03Å; Y78-I321 HydrophobicContact CD2-CD1 4.28Å; Y78-I321 HydrophobicContact CE2-CD1 3.7Å; Y78-V329 HydrophobicContact CD2-CG1 4.18Å; Y78-V329 HydrophobicContact CG-CG1 4.47Å; Y78-S333 WeakPolarHBondContact OH-CA 3.45Å; Y78-S333 WeakPolarHBondContact OH-CB 3.21Å; Y78-S333 PolarHBondContact OH-OG 3.46Å; Y78-F336 AromaticContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CE2 4.04Å; Y78-F336 AromaticContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CE2 4.23Å; Y78-H355 HydrophobicContact CE2-CB 3.77Å; Y78-H355 AromaticContact CE2-ND1 3.77Å; Y78-H355 AromaticContact CZ-ND1 3.98Å; Y78-H355 PolarHBondContact OH-ND1 3.33Å; Y78-M357 HydrophobicContact CD2-CG 3.8Å; Y78-M357 HydrophobicContact CD2-SD 4.46Å |
| 79 | I | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.8 | 176.7 | -57.3 | 97.8 | 0 | 0 | 0 | 109.7 | H77 E81 K288 S289 E290 H355 Y356 N358 | H77-I79 VanDerWaalsContact CE1-CD1 3.4Å; H77-I79 WeakPolarHBondContact CE1-CD1 3.48Å; H77-I79 WeakPolarHBondContact NE2-CG1 3.24Å; H77-I79 WeakPolarHBondContact O-CD1 3.37Å; I79-E81 HydrophobicContact CG2-CG 3.99Å; I79-K288 HydrophobicContact CG2-CD 4.48Å; I79-K288 HydrophobicContact CG2-CG 3.94Å; I79-S289 WeakPolarHBondContact CA-O 3.37Å; I79-E290 HydrophobicContact CB-CG 4.4Å; I79-E290 HydrophobicContact CG1-CB 4.42Å; I79-E290 HydrophobicContact CG1-CG 3.8Å; I79-E290 WeakPolarHBondContact CG1-OE1 3.23Å; I79-E290 HydrophobicContact CG2-CG 4.08Å; I79-H355 CarbonylContact O-C 3.53Å; I79-H355 WeakPolarHBondContact O-CA 3.27Å; I79-H355 VanDerWaalsContact O-CB 3.25Å; I79-H355 WeakPolarHBondContact O-CB 3.4Å; I79-Y356 HydrophobicContact CB-CD1 4.42Å; I79-Y356 HydrophobicContact CB-CD2 4.14Å; I79-Y356 HydrophobicContact CB-CE1 4.02Å; I79-Y356 HydrophobicContact CB-CE2 3.76Å; I79-Y356 HydrophobicContact CB-CG 4.48Å; I79-Y356 HydrophobicContact CD1-CD2 3.6Å; I79-Y356 HydrophobicContact CD1-CE2 3.27Å; I79-Y356 HydrophobicContact CG1-CD2 4.38Å; I79-Y356 HydrophobicContact CG1-CE2 3.8Å; I79-Y356 HydrophobicContact CG2-CE1 3.89Å; I79-Y356 HydrophobicContact CG2-CE2 4.24Å; I79-Y356 PolarHBondContact N-O 2.47Å; I79-Y356 PolarHBondContact O-N 2.82Å; I79-N358 WeakPolarHBondContact CD1-ND2 3.46Å |
| 80 | L | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.2 | 163.9 | 178.2 | 63.7 | 0 | 0 | 0 | 109.5 | Y78 K288 S289 I318 F336 H340 H355 | Y78-L80 HydrophobicContact CE1-CB 4.38Å; L80-K288 WeakPolarHBondContact O-CA 3.36Å; L80-S289 PolarHBondContact N-O 2.89Å; L80-S289 PolarHBondContact O-N 3.18Å; L80-I318 HydrophobicContact CD1-CD1 3.39Å; L80-I318 HydrophobicContact CD1-CG1 3.9Å; L80-F336 HydrophobicContact CB-CB 4.13Å; L80-F336 HydrophobicContact CB-CD2 4.15Å; L80-F336 VanDerWaalsContact CD2-C 3.48Å; L80-F336 HydrophobicContact CD2-CB 3.55Å; L80-F336 HydrophobicContact CG-CB 4.47Å; L80-H340 HydrophobicContact CD2-CB 4.45Å; L80-H355 HydrophobicContact CD1-CB 4.03Å |
| 81 | E | 96.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.8 | 172.5 | -77.5 | -178.8 | 136.9 | 0 | 0 | 110.3 | I79 F128 N286 E287 K288 Q353 R354 Y356 | I79-E81 HydrophobicContact CG2-CG 3.99Å; E81-F128 HydrophobicContact CB-CD1 3.87Å; E81-F128 HydrophobicContact CB-CE1 4.02Å; E81-N286 WeakPolarHBondContact CB-OD1 3.43Å; E81-N286 PolarHBondContact OE1-ND2 3.16Å; E81-E287 CarbonylContact C-O 3.55Å; E81-E287 WeakPolarHBondContact CA-O 3.38Å; E81-K288 HydrophobicContact CG-CB 4.09Å; E81-K288 HydrophobicContact CG-CD 4.44Å; E81-K288 HydrophobicContact CG-CG 3.8Å; E81-Q353 VanDerWaalsContact O-CA 3.31Å; E81-Q353 WeakPolarHBondContact O-CA 3.3Å; E81-R354 HydrophobicContact CB-CG 3.97Å; E81-R354 PolarHBondContact N-O 2.86Å; E81-R354 PolarHBondContact O-N 3.31Å; E81-R354 IonicContact OE1-NH2 2.57Å; E81-R354 IonicContact OE2-CZ 2.73Å; E81-R354 IonicContact OE2-NE 3.17Å; E81-R354 PolarHBondContact OE2-NE 3.42Å; E81-R354 IonicContact OE2-NH2 3.74Å; E81-R354 PolarHBondContact OE2-NH2 3.41Å; E81-Y356 WeakPolarHBondContact OE2-CE1 3.21Å |
| 82 | S | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 112.8 | 174.9 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | E287 H340 Q353 | S82-E287 PolarHBondContact N-O 2.85Å; S82-E287 PolarHBondContact O-N 3.25Å; S82-H340 VanDerWaalsContact CB-ND1 3.29Å; S82-H340 WeakPolarHBondContact CB-ND1 3.19Å; S82-H340 PolarHBondContact OG-ND1 3.29Å; S82-Q353 WeakPolarHBondContact OG-CG 3.47Å; S82-Q353 PolarHBondContact OG-NE2 2.84Å |
| 83 | F | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 115.9 | 175.8 | -165.3 | -117.9 | 0 | 0 | 0 | 109.3 | P124 L127 F128 V129 F284 K285 N286 I351 R352 | F83-P124 HydrophobicContact CE1-CB 3.7Å; F83-P124 HydrophobicContact CE1-CG 3.95Å; F83-P124 HydrophobicContact CZ-CB 4Å; F83-L127 HydrophobicContact CD1-CD2 3.83Å; F83-L127 HydrophobicContact CE1-CD2 3.93Å; F83-F128 HydrophobicContact CB-CD1 3.95Å; F83-F128 HydrophobicContact CB-CE1 4.02Å; F83-F128 VanDerWaalsContact CD2-N 3.34Å; F83-V129 WeakPolarHBondContact CE2-O 3.33Å; F83-F284 HydrophobicContact CE1-CB 4.28Å; F83-F284 AromaticContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE2-CB 4.02Å; F83-F284 HydrophobicContact CZ-CB 3.58Å; F83-F284 HydrophobicContact CZ-CD1 4.13Å; F83-F284 HydrophobicContact CZ-CG 4.18Å; F83-K285 WeakPolarHBondContact CA-O 2.84Å; F83-N286 HydrophobicContact CD2-CB 4.27Å; F83-I351 HydrophobicContact CD1-CB 4.08Å; F83-I351 HydrophobicContact CD1-CD1 4.16Å; F83-I351 HydrophobicContact CD1-CG2 4.22Å; F83-I351 HydrophobicContact CE1-CD1 4.14Å; F83-I351 PolarHBondContact O-N 2.9Å; F83-R352 WeakPolarHBondContact CA-O 3.15Å; F83-R352 HydrophobicContact CB-CB 4.38Å; F83-R352 WeakPolarHBondContact CB-O 3.19Å; F83-R352 PolarHBondContact N-O 2.93Å; F83-R352 PolarHBondContact O-N 2.77Å |
| 84 | T | 93.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 156.8 | -170.4 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | F284 K285 R349 V350 | T84-F284 CarbonylContact O-C 3.53Å; T84-F284 VanDerWaalsContact O-CA 3.25Å; T84-F284 WeakPolarHBondContact O-CA 3.24Å; T84-K285 PolarHBondContact N-O 3.37Å; T84-K285 PolarHBondContact O-N 2.64Å; T84-K285 PolarHBondContact OG1-O 3Å; T84-R349 CarbonylContact C-O 3.58Å; T84-R349 VanDerWaalsContact CA-O 3.25Å; T84-R349 WeakPolarHBondContact CA-O 3.26Å; T84-V350 HydrophobicContact CG2-CG2 4.32Å |
| 85 | E | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.8 | 175.7 | -173.1 | -173.2 | 160.9 | 0 | 0 | 110.6 | R87 W118 V282 Y283 F284 C348 R349 I351 | E85-R87 IonicContact OE1-CZ 2.75Å; E85-R87 IonicContact OE1-NE 2.9Å; E85-R87 PolarHBondContact OE1-NE 2.92Å; E85-R87 IonicContact OE1-NH2 2.84Å; E85-R87 PolarHBondContact OE1-NH2 2.86Å; E85-W118 HydrophobicContact CG-CZ3 4.26Å; E85-W118 WeakPolarHBondContact O-CH2 3.4Å; E85-V282 HydrophobicContact CG-CG1 3.51Å; E85-V282 WeakPolarHBondContact OE1-CG1 3.1Å; E85-Y283 CarbonylContact C-O 3.49Å; E85-Y283 VanDerWaalsContact CA-O 3.3Å; E85-Y283 WeakPolarHBondContact CA-O 3.33Å; E85-F284 HydrophobicContact CB-CD1 4.3Å; E85-F284 HydrophobicContact CB-CE1 4.33Å; E85-F284 HydrophobicContact CG-CD1 4.24Å; E85-F284 HydrophobicContact CG-CE1 3.95Å; E85-F284 HydrophobicContact CG-CZ 4.49Å; E85-C348 CarbonylContact O-C 3.56Å; E85-C348 VanDerWaalsContact O-CA 3.26Å; E85-C348 WeakPolarHBondContact O-CA 3.29Å; E85-C348 VanDerWaalsContact O-CB 3.23Å; E85-C348 WeakPolarHBondContact O-CB 3.45Å; E85-R349 PolarHBondContact N-O 2.87Å; E85-R349 PolarHBondContact O-N 3.44Å; E85-R349 IonicContact OE1-NH2 3.73Å; E85-R349 IonicContact OE2-CZ 3.72Å; E85-R349 IonicContact OE2-NE 2.69Å; E85-R349 PolarHBondContact OE2-NE 2.7Å; E85-R349 IonicContact OE2-NH2 3.1Å; E85-R349 PolarHBondContact OE2-NH2 3.49Å; E85-I351 HydrophobicContact CB-CD1 3.7Å; E85-I351 HydrophobicContact CB-CG1 4.09Å; E85-I351 HydrophobicContact CG-CD1 4.47Å |
| 86 | A | 92.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 152.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F10 V282 Y283 C348 | F10-A86 HydrophobicContact CD1-CB 3.69Å; F10-A86 HydrophobicContact CE1-CB 3.83Å; A86-V282 WeakPolarHBondContact O-CA 3.24Å; A86-Y283 PolarHBondContact N-O 3.35Å; A86-Y283 PolarHBondContact O-N 2.89Å; A86-C348 HydrophobicContact CB-CB 3.91Å |
| 87 | R | 92.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.6 | 177.6 | -61.8 | -171.1 | -177.5 | -164.9 | 5.2 | 111.3 | F10 V11 E85 P117 W118 F120 K281 V282 | F10-R87 WeakPolarHBondContact CA-O 3.5Å; F10-R87 WeakPolarHBondContact CD1-O 3.24Å; V11-R87 PolarHBondContact N-O 3.2Å; E85-R87 IonicContact OE1-CZ 2.75Å; E85-R87 IonicContact OE1-NE 2.9Å; E85-R87 PolarHBondContact OE1-NE 2.92Å; E85-R87 IonicContact OE1-NH2 2.84Å; E85-R87 PolarHBondContact OE1-NH2 2.86Å; R87-P117 WeakPolarHBondContact CD-O 3.48Å; R87-P117 PolarHBondContact NH1-O 3.25Å; R87-W118 HydrophobicContact CB-CH2 4.15Å; R87-W118 HydrophobicContact CB-CZ2 3.94Å; R87-W118 HydrophobicContact CG-CD2 4.41Å; R87-W118 HydrophobicContact CG-CE3 4.13Å; R87-W118 HydrophobicContact CG-CH2 3.75Å; R87-W118 HydrophobicContact CG-CZ2 4.02Å; R87-W118 HydrophobicContact CG-CZ3 3.79Å; R87-F120 PolarHBondContact NH1-O 2.9Å; R87-F120 PolarHBondContact NH2-O 2.93Å; R87-K281 WeakPolarHBondContact CA-O 3.29Å; R87-V282 HydrophobicContact CG-CB 4.46Å; R87-V282 HydrophobicContact CG-CG1 4.22Å; R87-V282 HydrophobicContact CG-CG2 4.07Å |
| 88 | S | 92.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.9 | 167.5 | 70.5 | 0 | 0 | 0 | 0 | 110 | K281 Y283 | S88-K281 PolarHBondContact N-O 2.66Å; S88-K281 PolarHBondContact O-N 2.81Å; S88-Y283 WeakPolarHBondContact OG-CE2 3.47Å; S88-Y283 PolarHBondContact OG-OH 2.65Å |
| 89 | T | 91.7 | Very high | 90.3 | Very high | 60 Ų | 60 | 39.1 Ų | 39.1 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.3 | 175.4 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | V11 P117 M137 T278 R279 I280 | V11-T89 HydrophobicContact CG2-CG2 3.9Å; T89-P117 HydrophobicContact CG2-CB 3.94Å; T89-P117 HydrophobicContact CG2-CG 3.44Å; T89-P117 VanDerWaalsContact CG2-CG 3.44Å; T89-M137 HydrophobicContact CG2-CE 4.13Å; T89-T278 HydrophobicContact CG2-CG2 4.09Å; T89-R279 WeakPolarHBondContact CA-O 3.39Å; T89-I280 HydrophobicContact CG2-CG1 4.19Å |
| 90 | S | 92.6 | Very high | 88.6 | Confident | 59 Ų | 59 | 42.3 Ų | 42.3 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 144.5 | 172.1 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | R279 | S90-R279 PolarHBondContact N-O 3.03Å; S90-R279 WeakPolarHBondContact O-CB 3.48Å; S90-R279 PolarHBondContact O-N 3.07Å |
| 91 | E | 91.8 | Very high | 86.7 | Confident | 172 Ų | 172 | 45.4 Ų | 45.4 | 80% | 0.804 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 139.3 | 169.8 | -66.4 | -173 | 169.7 | 0 | 0 | 110.7 | ||
| 92 | A | 90.9 | Very high | 84.5 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | N276 Y277 R279 | A92-N276 CarbonylContact O-C 3.57Å; A92-N276 VanDerWaalsContact O-CA 3.3Å; A92-N276 WeakPolarHBondContact O-CA 3.49Å; A92-Y277 HydrophobicContact CB-CD1 4.49Å; A92-Y277 HydrophobicContact CB-CD2 4.1Å; A92-Y277 HydrophobicContact CB-CE1 4.05Å; A92-Y277 HydrophobicContact CB-CE2 3.63Å; A92-Y277 PolarHBondContact N-O 3.31Å; A92-Y277 PolarHBondContact O-N 3.18Å; A92-R279 HydrophobicContact CB-CB 4.45Å |
| 93 | T | 91.4 | Very high | 82.2 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.5 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | V274 R275 N276 | T93-V274 HydrophobicContact CG2-CB 3.72Å; T93-V274 HydrophobicContact CG2-CG1 4.19Å; T93-V274 HydrophobicContact CG2-CG2 3.96Å; T93-R275 WeakPolarHBondContact CA-O 3.27Å; T93-N276 WeakPolarHBondContact CB-OD1 3.47Å; T93-N276 WeakPolarHBondContact CG2-OD1 3.44Å; T93-N276 PolarHBondContact OG1-OD1 3.41Å |
| 94 | E | 91.6 | Very high | 79.8 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 166.2 | 173.9 | 67.6 | -171 | -167.9 | 0 | 0 | 111.7 | A96 V274 R275 Y277 | E94-A96 PolarHBondContact O-N 3.3Å; E94-V274 CarbonylContact O-C 3.53Å; E94-V274 VanDerWaalsContact O-CA 3.3Å; E94-V274 WeakPolarHBondContact O-CA 3.07Å; E94-V274 WeakPolarHBondContact O-CB 3.46Å; E94-R275 HydrophobicContact CG-CB 4.05Å; E94-R275 PolarHBondContact N-O 2.88Å; E94-R275 PolarHBondContact O-N 3.09Å; E94-R275 IonicContact OE1-CZ 3.89Å; E94-R275 IonicContact OE1-NH1 3.26Å; E94-R275 PolarHBondContact OE1-NH1 3.21Å; E94-Y277 HydrophobicContact CG-CE1 3.93Å; E94-Y277 PolarHBondContact OE2-OH 3.44Å |
| 95 | A | 91.5 | Very high | 77.4 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 25% | 0.248 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 133 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N97 | A95-N97 PolarHBondContact O-N 3.3Å |
| 96 | A | 87.6 | Confident | 74.9 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.033 | 43% | 0.433 | C | S | . | . | trans | -64.2 | 120.1 | 180 | 0 | 0 | 0 | 0 | 0 | 110.5 | E94 F98 S273 | E94-A96 PolarHBondContact O-N 3.3Å; A96-F98 HydrophobicContact CB-CE2 3.93Å; A96-F98 HydrophobicContact CB-CZ 3.93Å; A96-S273 WeakPolarHBondContact CB-O 2.89Å; A96-S273 PolarHBondContact N-O 3.33Å; A96-S273 VanDerWaalsContact N-O 3.11Å | ||
| 97 | N | 82.5 | Confident | 72.3 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | trans | -102.6 | 94.1 | 172.7 | -174.1 | 1.9 | 0 | 0 | 0 | 110.1 | A95 A99 A100 | A95-N97 PolarHBondContact O-N 3.3Å; N97-A99 PolarHBondContact O-N 3.05Å; N97-A99 PolarHBondContact OD1-N 2.9Å; N97-A100 HydrophobicContact CB-CB 4.47Å; N97-A100 PolarHBondContact O-N 3.04Å | ||
| 98 | F | 72.2 | Confident | 69.9 | Low | 109 Ų | 109 | 82.2 Ų | 82.2 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.2 | -178.5 | -62.1 | -78.8 | 0 | 0 | 0 | 113.9 | A96 I143 | A96-F98 HydrophobicContact CB-CE2 3.93Å; A96-F98 HydrophobicContact CB-CZ 3.93Å; F98-I143 HydrophobicContact CD1-CD1 4.26Å; F98-I143 HydrophobicContact CE1-CD1 3.74Å |
| 99 | A | 66.8 | Low | 67.5 | Low | 82 Ų | 82 | 88 Ų | 88 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -28.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | N97 | N97-A99 PolarHBondContact O-N 3.05Å; N97-A99 PolarHBondContact OD1-N 2.9Å |
| 100 | A | 60.1 | Low | 65 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N97 | N97-A100 HydrophobicContact CB-CB 4.47Å; N97-A100 PolarHBondContact O-N 3.04Å |
| 101 | M | 56.7 | Low | 62.6 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 33% | 0.325 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -93.4 | -8.1 | -172.8 | -86.4 | -176.1 | 56.4 | 0 | 0 | 114.9 | E103 A104 I143 | M101-E103 PolarHBondContact O-N 3.21Å; M101-E103 VanDerWaalsContact O-N 3.16Å; M101-A104 PolarHBondContact O-N 3.36Å; M101-I143 HydrophobicContact CE-CD1 3.14Å; M101-I143 HydrophobicContact CE-CG1 3.76Å; M101-I143 HydrophobicContact SD-CD1 3.53Å; M101-I143 VanDerWaalsContact SD-CD1 3.53Å; M101-I143 HydrophobicContact SD-CG1 3.81Å |
| 102 | S | 50.8 | Low | 60.4 | Low | 105 Ų | 105 | 87.5 Ų | 87.5 | 73% | 0.734 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -68.5 | -7.7 | 176.2 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 103 | E | 47.9 | Very low | 58.8 | Low | 183 Ų | 183 | 89.5 Ų | 89.5 | 86% | 0.855 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -107.9 | -6.7 | 179.8 | -66.3 | -171.3 | 164.7 | 0 | 0 | 114.2 | M101 | M101-E103 PolarHBondContact O-N 3.21Å; M101-E103 VanDerWaalsContact O-N 3.16Å |
| 104 | A | 45 | Very low | 57.7 | Low | 69 Ų | 69 | 90.4 Ų | 90.4 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | trans | -122.3 | 30.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114.6 | M101 C106 | M101-A104 PolarHBondContact O-N 3.36Å; A104-C106 PolarHBondContact O-N 3.02Å | ||
| 105 | S | 42.4 | Very low | 57.1 | Low | 100 Ų | 100 | 91 Ų | 91 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | trans | -76.4 | 71.9 | 164.1 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | S107 | S105-S107 PolarHBondContact O-N 3.38Š| ||
| 106 | C | 40.2 | Very low | 56.8 | Low | 110 Ų | 110 | 91.5 Ų | 91.5 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | trans | -76.2 | 76.6 | 154.8 | -53.1 | 0 | 0 | 0 | 0 | 106.9 | A104 L108 | A104-C106 PolarHBondContact O-N 3.02Å; C106-L108 VanDerWaalsContact C-N 3.28Å; C106-L108 PolarHBondContact O-N 2.81Å | ||
| 107 | S | 38.9 | Very low | 56.7 | Low | 92 Ų | 92 | 92.2 Ų | 92.2 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | trans | -60.6 | 97 | 160.6 | -61.7 | 0 | 0 | 0 | 0 | 107.1 | S105 T109 | S105-S107 PolarHBondContact O-N 3.38Å; S107-T109 PolarHBondContact O-N 2.85Å | ||
| 108 | L | 43 | Very low | 56.9 | Low | 137 Ų | 137 | 89.6 Ų | 89.6 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | trans | -73.5 | 76.1 | 161.9 | -79.9 | 164.4 | 0 | 0 | 0 | 107.7 | C106 G110 | C106-L108 VanDerWaalsContact C-N 3.28Å; C106-L108 PolarHBondContact O-N 2.81Å; L108-G110 PolarHBondContact O-N 2.72Å | ||
| 109 | T | 41.8 | Very low | 57.6 | Low | 136 Ų | 136 | 89.2 Ų | 89.2 | 83% | 0.834 | 61% | 0.607 | S | S | * | * | trans | -69.9 | 97.4 | 152.6 | 45.5 | 0 | 0 | 0 | 0 | 107.3 | S107 | S107-T109 PolarHBondContact O-N 2.85Š| ||
| 110 | G | 39.8 | Very low | 58.4 | Low | 69 Ų | 69 | 87.2 Ų | 87.2 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 118.1 | 91 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L108 | L108-G110 PolarHBondContact O-N 2.72Š|
| 111 | G | 41.7 | Very low | 59.6 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 68% | 0.68 | 59% | 0.592 | S | S | * | * | trans | 154.8 | 80.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G113 | G111-G113 PolarHBondContact O-N 3.27Š| ||
| 112 | S | 46.2 | Very low | 61.1 | Low | 144 Ų | 144 | 89.3 Ų | 89.3 | 100% | 1.007 | 58% | 0.581 | S | S | * | * | trans | -71.4 | 59.1 | 174.1 | -54.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 113 | G | 56.6 | Low | 62.9 | Low | 53 Ų | 53 | 90 Ų | 90 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | trans | -132.1 | 122.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G111 L115 | G111-G113 PolarHBondContact O-N 3.27Å; G113-L115 PolarHBondContact O-N 2.91Å | ||
| 114 | A | 68.1 | Low | 65 | Low | 108 Ų | 108 | 82.4 Ų | 82.4 | 89% | 0.893 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 116.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S116 | A114-S116 PolarHBondContact O-N 3.4Š|
| 115 | L | 79.4 | Confident | 67.2 | Low | 86 Ų | 86 | 81 Ų | 81 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 131.2 | 176.8 | -64.3 | 174.7 | 0 | 0 | 0 | 109.5 | G113 F120 | G113-L115 PolarHBondContact O-N 2.91Å; L115-F120 HydrophobicContact CB-CZ 4.2Å; L115-F120 HydrophobicContact CD1-CZ 3.98Å |
| 116 | S | 84.6 | Confident | 69.6 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 29% | 0.287 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 144.9 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 110 | A114 W118 D119 F120 | A114-S116 PolarHBondContact O-N 3.4Å; S116-W118 PolarHBondContact O-N 2.87Å; S116-W118 PolarHBondContact OG-N 3.13Å; S116-D119 WeakPolarHBondContact CB-OD2 3.25Å; S116-D119 PolarHBondContact N-OD2 3.4Å; S116-D119 WeakPolarHBondContact O-CB 3.36Å; S116-D119 PolarHBondContact O-N 2.84Å; S116-F120 WeakPolarHBondContact O-CE2 3.3Å |
| 117 | P | 86.8 | Confident | 72.1 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 12% | 0.123 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -20.5 | 171.2 | -26.3 | 35.9 | 0 | 0 | 0 | 113.6 | V11 R87 T89 M137 I280 | V11-P117 HydrophobicContact CG1-CB 4.47Å; V11-P117 HydrophobicContact CG1-CG 4.06Å; V11-P117 HydrophobicContact CG2-CB 4.4Å; V11-P117 HydrophobicContact CG2-CG 4.07Å; R87-P117 WeakPolarHBondContact CD-O 3.48Å; R87-P117 PolarHBondContact NH1-O 3.25Å; T89-P117 HydrophobicContact CG2-CB 3.94Å; T89-P117 HydrophobicContact CG2-CG 3.44Å; T89-P117 VanDerWaalsContact CG2-CG 3.44Å; P117-M137 HydrophobicContact CB-CE 4.41Å; P117-M137 HydrophobicContact CG-CE 3.91Å; P117-I280 HydrophobicContact CB-CD1 4.18Å; P117-I280 HydrophobicContact CB-CG1 4.39Å |
| 118 | W | 86.8 | Confident | 74.8 | Confident | 41 Ų | 41 | 77.1 Ų | 77.1 | 16% | 0.155 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.6 | 179.2 | -65.2 | 104.3 | 0 | 0 | 0 | 114.4 | V11 I13 E85 R87 S116 F120 R349 | V11-W118 PolarHBondContact O-NE1 3.05Å; I13-W118 HydrophobicContact CD1-CH2 3.88Å; I13-W118 HydrophobicContact CD1-CZ2 3.83Å; I13-W118 HydrophobicContact CD1-CZ3 4.48Å; I13-W118 HydrophobicContact CG1-CD2 4.39Å; I13-W118 HydrophobicContact CG1-CH2 4.06Å; I13-W118 HydrophobicContact CG1-CZ2 3.49Å; I13-W118 VanDerWaalsContact CG1-CZ2 3.49Å; E85-W118 HydrophobicContact CG-CZ3 4.26Å; E85-W118 WeakPolarHBondContact O-CH2 3.4Å; R87-W118 HydrophobicContact CB-CH2 4.15Å; R87-W118 HydrophobicContact CB-CZ2 3.94Å; R87-W118 HydrophobicContact CG-CD2 4.41Å; R87-W118 HydrophobicContact CG-CE3 4.13Å; R87-W118 HydrophobicContact CG-CH2 3.75Å; R87-W118 HydrophobicContact CG-CZ2 4.02Å; R87-W118 HydrophobicContact CG-CZ3 3.79Å; S116-W118 PolarHBondContact O-N 2.87Å; S116-W118 PolarHBondContact OG-N 3.13Å; W118-F120 PolarHBondContact O-N 2.78Å; W118-R349 HydrophobicContact CZ3-CB 4.42Å |
| 119 | D | 86.1 | Confident | 77.2 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -71.9 | -13 | -179.8 | -64.7 | -21.2 | 0 | 0 | 0 | 112.8 | S116 | S116-D119 WeakPolarHBondContact CB-OD2 3.25Å; S116-D119 PolarHBondContact N-OD2 3.4Å; S116-D119 WeakPolarHBondContact O-CB 3.36Å; S116-D119 PolarHBondContact O-N 2.84Å |
| 120 | F | 84 | Confident | 79.8 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 17% | 0.171 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -99.9 | 123.1 | -178.5 | -51.1 | -76.5 | 0 | 0 | 0 | 110.5 | R87 L115 S116 W118 F135 M137 P138 I280 | R87-F120 PolarHBondContact NH1-O 2.9Å; R87-F120 PolarHBondContact NH2-O 2.93Å; L115-F120 HydrophobicContact CB-CZ 4.2Å; L115-F120 HydrophobicContact CD1-CZ 3.98Å; S116-F120 WeakPolarHBondContact O-CE2 3.3Å; W118-F120 PolarHBondContact O-N 2.78Å; F120-F135 HydrophobicContact CB-CE2 4.33Å; F120-F135 HydrophobicContact CB-CZ 4.22Å; F120-F135 HydrophobicContact CG-CE2 4.42Å; F120-M137 HydrophobicContact CE2-CG 3.75Å; F120-M137 HydrophobicContact CZ-CG 4.02Å; F120-P138 HydrophobicContact CD1-CG 4.01Å; F120-P138 HydrophobicContact CE1-CB 3.99Å; F120-P138 HydrophobicContact CE1-CG 3.65Å; F120-P138 HydrophobicContact CZ-CB 4.45Å; F120-P138 HydrophobicContact CZ-CG 4.26Å; F120-I280 HydrophobicContact CD2-CD1 3.96Å; F120-I280 HydrophobicContact CE2-CD1 4.22Å |
| 121 | E | 85.1 | Confident | 82.4 | Confident | 161 Ų | 161 | 71.1 Ų | 71.1 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | trans | -76.1 | 131.4 | 173.2 | -168.9 | 167.8 | -164.2 | 0 | 0 | 110.8 | M123 | E121-M123 HydrophobicContact CG-SD 4.27Š| ||
| 122 | V | 88.2 | Confident | 85 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 10% | 0.097 | 42% | 0.423 | C | S | . | . | trans | -129.8 | 112.6 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | R133 F135 V282 F284 | V122-R133 HydrophobicContact CG1-CB 4.43Å; V122-F135 HydrophobicContact CG2-CD1 4.48Å; V122-F135 HydrophobicContact CG2-CE1 3.6Å; V122-F135 HydrophobicContact CG2-CZ 3.81Å; V122-V282 HydrophobicContact CB-CG2 4.39Å; V122-V282 HydrophobicContact CG1-CG2 4.29Å; V122-V282 HydrophobicContact CG2-CG2 4.15Å; V122-F284 HydrophobicContact CB-CZ 4.35Å; V122-F284 HydrophobicContact CG1-CE2 4.14Å; V122-F284 HydrophobicContact CG1-CZ 3.94Å; V122-F284 WeakPolarHBondContact O-CZ 3.28Å | ||
| 123 | M | 88.5 | Confident | 87.2 | Confident | 118 Ų | 118 | 69.6 Ų | 69.6 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | trans | -82.4 | 135.9 | -178 | -65.6 | -57.6 | -72.9 | 0 | 0 | 111.3 | E121 R133 | E121-M123 HydrophobicContact CG-SD 4.27Å; M123-R133 PolarHBondContact O-NE 2.97Å; M123-R133 PolarHBondContact O-NH1 3.23Å; M123-R133 PolarHBondContact O-NH2 2.57Å; M123-R133 VanDerWaalsContact O-NH2 3.12Å | ||
| 124 | P | 92.3 | Very high | 89 | Confident | 25 Ų | 25 | 71 Ų | 71 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | trans | -63.9 | 153.3 | 170 | 27 | -34.1 | 0 | 0 | 0 | 111.6 | F83 L127 F284 | F83-P124 HydrophobicContact CE1-CB 3.7Å; F83-P124 HydrophobicContact CE1-CG 3.95Å; F83-P124 HydrophobicContact CZ-CB 4Å; P124-L127 HydrophobicContact CG-CD2 3.96Å; P124-F284 HydrophobicContact CB-CD1 4.03Å; P124-F284 HydrophobicContact CB-CE1 4.03Å; P124-F284 HydrophobicContact CB-CG 4.41Å; P124-F284 HydrophobicContact CB-CZ 4.41Å; P124-F284 HydrophobicContact CG-CE1 4.41Å | ||
| 125 | G | 90.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -75.6 | -45.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q131 | G125-Q131 VanDerWaalsContact N-NE2 3.17Š|
| 126 | H | 92.8 | Very high | 90.7 | Very high | 139 Ų | 139 | 67.3 Ų | 67.3 | 64% | 0.644 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -134.4 | 146.3 | 172.2 | -59.7 | -73.3 | 0 | 0 | 0 | 109.8 | V129 Q131 | H126-V129 HydrophobicContact CB-CB 4.29Å; H126-V129 HydrophobicContact CB-CG2 4.16Å; H126-Q131 PolarHBondContact O-NE2 2.85Å |
| 127 | L | 93.7 | Very high | 90.9 | Very high | 67 Ų | 67 | 66.3 Ų | 66.3 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 148.2 | 172.6 | -66.4 | 173.9 | 0 | 0 | 0 | 110.1 | F83 P124 V129 I351 R352 | F83-L127 HydrophobicContact CD1-CD2 3.83Å; F83-L127 HydrophobicContact CE1-CD2 3.93Å; P124-L127 HydrophobicContact CG-CD2 3.96Å; L127-V129 PolarHBondContact O-N 3.32Å; L127-I351 HydrophobicContact CD2-CG2 4.34Å; L127-R352 HydrophobicContact CD2-CB 4.42Å |
| 128 | F | 94.3 | Very high | 90.9 | Very high | 14 Ų | 14 | 68.6 Ų | 68.6 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 22.1 | 179.5 | -52.9 | -76.7 | 0 | 0 | 0 | 115.3 | E81 F83 N286 E314 R352 R354 | E81-F128 HydrophobicContact CB-CD1 3.87Å; E81-F128 HydrophobicContact CB-CE1 4.02Å; F83-F128 HydrophobicContact CB-CD1 3.95Å; F83-F128 HydrophobicContact CB-CE1 4.02Å; F83-F128 VanDerWaalsContact CD2-N 3.34Å; F128-N286 PolarHBondContact O-ND2 2.87Å; F128-E314 HydrophobicContact CE2-CG 4.33Å; F128-E314 HydrophobicContact CZ-CG 4.32Å; F128-R352 HydrophobicContact CE2-CG 4.07Å; F128-R352 HydrophobicContact CZ-CB 4.18Å; F128-R352 HydrophobicContact CZ-CG 3.73Å; F128-R354 HydrophobicContact CD1-CG 4.21Å; F128-R354 HydrophobicContact CE1-CB 4.19Å; F128-R354 HydrophobicContact CE1-CG 3.59Å; F128-R354 HydrophobicContact CE2-CB 4.36Å; F128-R354 HydrophobicContact CE2-CG 4.02Å; F128-R354 HydrophobicContact CZ-CB 3.71Å; F128-R354 HydrophobicContact CZ-CG 3.47Å; F128-R354 VanDerWaalsContact CZ-CG 3.47Å |
| 129 | V | 94.6 | Very high | 90.6 | Very high | 78 Ų | 78 | 69.7 Ų | 69.7 | 47% | 0.473 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -125.2 | 126.2 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | F83 H126 L127 Q131 | F83-V129 WeakPolarHBondContact CE2-O 3.33Å; H126-V129 HydrophobicContact CB-CB 4.29Å; H126-V129 HydrophobicContact CB-CG2 4.16Å; L127-V129 PolarHBondContact O-N 3.32Å; V129-Q131 PolarHBondContact O-N 2.98Å |
| 130 | D | 95.9 | Very high | 90.7 | Very high | 98 Ų | 98 | 65.8 Ų | 65.8 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | trans | -59.5 | 127.5 | 177.7 | -78.2 | 13.1 | 0 | 0 | 0 | 111 | F284 K285 N286 | D130-F284 WeakPolarHBondContact CA-O 3.33Å; D130-K285 WeakPolarHBondContact OD1-CA 3.35Å; D130-N286 PolarHBondContact OD1-N 2.67Å | ||
| 131 | Q | 94.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 19% | 0.187 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 153.9 | -179.8 | 60.2 | -171.3 | -19.2 | 0 | 0 | 111 | G125 H126 V129 F284 | G125-Q131 VanDerWaalsContact N-NE2 3.17Å; H126-Q131 PolarHBondContact O-NE2 2.85Å; V129-Q131 PolarHBondContact O-N 2.98Å; Q131-F284 HydrophobicContact CG-CB 3.56Å; Q131-F284 HydrophobicContact CG-CD2 3.69Å; Q131-F284 HydrophobicContact CG-CG 3.92Å; Q131-F284 PolarHBondContact N-O 2.76Å; Q131-F284 PolarHBondContact O-N 2.81Å |
| 132 | V | 95.6 | Very high | 91.1 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.8 | 179.9 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | V134 K281 V282 Y283 | V132-V134 HydrophobicContact CG1-CG2 4.47Å; V132-K281 HydrophobicContact CG1-CD 4.16Å; V132-K281 VanDerWaalsContact CG1-CE 3.42Å; V132-K281 HydrophobicContact CG1-CG 3.71Å; V132-V282 WeakPolarHBondContact CA-O 3.23Å; V132-Y283 HydrophobicContact CG1-CD1 4.35Å; V132-Y283 HydrophobicContact CG1-CE1 4.39Å; V132-Y283 HydrophobicContact CG2-CD1 3.88Å; V132-Y283 HydrophobicContact CG2-CE1 4.4Å |
| 133 | R | 93.7 | Very high | 91.2 | Very high | 100 Ų | 100 | 66.3 Ų | 66.3 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.3 | 173.7 | -66.5 | -168.1 | 178 | -163.5 | 4.8 | 110.2 | V122 M123 K281 V282 F284 | V122-R133 HydrophobicContact CG1-CB 4.43Å; M123-R133 PolarHBondContact O-NE 2.97Å; M123-R133 PolarHBondContact O-NH1 3.23Å; M123-R133 PolarHBondContact O-NH2 2.57Å; M123-R133 VanDerWaalsContact O-NH2 3.12Å; R133-K281 CarbonylContact O-C 3.42Å; R133-K281 WeakPolarHBondContact O-CA 3.32Å; R133-V282 PolarHBondContact N-O 3.3Å; R133-V282 PolarHBondContact O-N 2.73Å; R133-F284 HydrophobicContact CG-CE2 4.22Å |
| 134 | V | 93.8 | Very high | 91.3 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.3 | -179.9 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | V132 R279 I280 K281 | V132-V134 HydrophobicContact CG1-CG2 4.47Å; V134-R279 HydrophobicContact CG1-CG 3.51Å; V134-I280 WeakPolarHBondContact CA-O 3.37Å; V134-K281 HydrophobicContact CG2-CB 4.4Å; V134-K281 HydrophobicContact CG2-CD 4.08Å; V134-K281 HydrophobicContact CG2-CG 3.9Å |
| 135 | F | 91.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 66.1 Ų | 66.1 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159.1 | 175.1 | 66.2 | -78.1 | 0 | 0 | 0 | 111.2 | F120 V122 I280 V282 | F120-F135 HydrophobicContact CB-CE2 4.33Å; F120-F135 HydrophobicContact CB-CZ 4.22Å; F120-F135 HydrophobicContact CG-CE2 4.42Å; V122-F135 HydrophobicContact CG2-CD1 4.48Å; V122-F135 HydrophobicContact CG2-CE1 3.6Å; V122-F135 HydrophobicContact CG2-CZ 3.81Å; F135-I280 HydrophobicContact CD1-CB 4.26Å; F135-I280 HydrophobicContact CD1-CG2 4.44Å; F135-I280 HydrophobicContact CE1-CB 3.8Å; F135-I280 HydrophobicContact CE1-CD1 4.48Å; F135-I280 HydrophobicContact CE1-CG2 3.63Å; F135-I280 HydrophobicContact CE2-CB 4.29Å; F135-I280 HydrophobicContact CE2-CD1 3.74Å; F135-I280 HydrophobicContact CZ-CB 3.82Å; F135-I280 HydrophobicContact CZ-CD1 3.64Å; F135-I280 HydrophobicContact CZ-CG1 4.33Å; F135-I280 HydrophobicContact CZ-CG2 3.8Å; F135-I280 PolarHBondContact N-O 3.17Å; F135-I280 PolarHBondContact O-N 3.19Å; F135-V282 HydrophobicContact CD1-CG2 4.45Å; F135-V282 HydrophobicContact CE1-CG2 3.7Å |
| 136 | E | 91.1 | Very high | 91.5 | Very high | 62 Ų | 62 | 64.4 Ų | 64.4 | 29% | 0.29 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.5 | 170 | 175.7 | -179.5 | 159.5 | 0 | 0 | 109.3 | P138 S141 R275 Y277 | E136-P138 VanDerWaalsContact O-CD 3.27Å; E136-P138 WeakPolarHBondContact O-CD 3.4Å; E136-S141 WeakPolarHBondContact OE1-CB 3.49Å; E136-R275 IonicContact OE1-CZ 2.63Å; E136-R275 IonicContact OE1-NH2 2.78Å; E136-R275 PolarHBondContact OE1-NH2 3.32Å; E136-R275 IonicContact OE2-CZ 2.68Å; E136-R275 IonicContact OE2-NH1 3.92Å; E136-R275 PolarHBondContact OE2-NH1 3Å; E136-R275 IonicContact OE2-NH2 2.91Å; E136-R275 PolarHBondContact OE2-NH2 2.94Å; E136-Y277 HydrophobicContact CB-CD2 4.05Å; E136-Y277 HydrophobicContact CB-CE2 4.36Å; E136-Y277 HydrophobicContact CG-CD2 3.66Å; E136-Y277 HydrophobicContact CG-CE2 4.42Å; E136-Y277 HydrophobicContact CG-CG 4.05Å |
| 137 | M | 89 | Confident | 91.5 | Very high | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 119.3 | 173.4 | -176.5 | -174 | -63 | 0 | 0 | 109.6 | T89 P117 F120 G139 S140 T278 I280 | T89-M137 HydrophobicContact CG2-CE 4.13Å; P117-M137 HydrophobicContact CB-CE 4.41Å; P117-M137 HydrophobicContact CG-CE 3.91Å; F120-M137 HydrophobicContact CE2-CG 3.75Å; F120-M137 HydrophobicContact CZ-CG 4.02Å; M137-G139 PolarHBondContact O-N 2.87Å; M137-S140 VanDerWaalsContact O-CB 3.28Å; M137-S140 WeakPolarHBondContact O-CB 3.4Å; M137-S140 PolarHBondContact O-N 3.33Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 2.9Å; M137-T278 WeakPolarHBondContact CB-O 3.18Å; M137-T278 HydrophobicContact CE-CG2 3.46Å; M137-T278 VanDerWaalsContact CE-CG2 3.46Å; M137-T278 PolarHBondContact N-O 2.88Å; M137-T278 HydrophobicContact SD-CG2 4.33Å; M137-I280 HydrophobicContact CB-CD1 3.76Å; M137-I280 HydrophobicContact CB-CG1 4.07Å; M137-I280 HydrophobicContact CE-CD1 3.71Å; M137-I280 HydrophobicContact CE-CG1 3.79Å; M137-I280 HydrophobicContact CG-CD1 3.87Å |
| 138 | P | 86.7 | Confident | 91.4 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 133.1 | 178.9 | -27.9 | 35.8 | 0 | 0 | 0 | 112.2 | F120 E136 S140 | F120-P138 HydrophobicContact CD1-CG 4.01Å; F120-P138 HydrophobicContact CE1-CB 3.99Å; F120-P138 HydrophobicContact CE1-CG 3.65Å; F120-P138 HydrophobicContact CZ-CB 4.45Å; F120-P138 HydrophobicContact CZ-CG 4.26Å; E136-P138 VanDerWaalsContact O-CD 3.27Å; E136-P138 WeakPolarHBondContact O-CD 3.4Å; P138-S140 PolarHBondContact O-N 3.45Å |
| 139 | G | 81.1 | Confident | 91.4 | Very high | 63 Ų | 63 | 62.1 Ų | 62.1 | 65% | 0.649 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 0.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | M137 | M137-G139 PolarHBondContact O-N 2.87Š|
| 140 | S | 87.9 | Confident | 91.3 | Very high | 19 Ų | 19 | 65.1 Ų | 65.1 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | trans | -82.3 | -12.6 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | M137 P138 T278 | M137-S140 VanDerWaalsContact O-CB 3.28Å; M137-S140 WeakPolarHBondContact O-CB 3.4Å; M137-S140 PolarHBondContact O-N 3.33Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 2.9Å; P138-S140 PolarHBondContact O-N 3.45Å; S140-T278 PolarHBondContact OG-N 3.22Å | ||
| 141 | S | 88.3 | Confident | 91.2 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | trans | -72.8 | 127.5 | -176.1 | 155.7 | 0 | 0 | 0 | 0 | 112.8 | E136 R275 N276 | E136-S141 WeakPolarHBondContact OE1-CB 3.49Å; S141-R275 PolarHBondContact OG-NE 3.27Å; S141-R275 PolarHBondContact OG-NH2 2.78Å; S141-N276 CarbonylContact C-O 3.56Å; S141-N276 WeakPolarHBondContact CA-O 3.32Å | ||
| 142 | Q | 88.6 | Confident | 91.1 | Very high | 123 Ų | 123 | 65.7 Ų | 65.7 | 58% | 0.575 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.2 | 176.3 | -62.7 | 180 | -1.5 | 0 | 0 | 110.6 | R275 N276 | Q142-R275 WeakPolarHBondContact O-CA 3.45Å; Q142-N276 PolarHBondContact N-O 3.06Å; Q142-N276 PolarHBondContact O-N 2.81Å |
| 143 | I | 90.4 | Very high | 90.9 | Very high | 67 Ų | 67 | 62 Ų | 62 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.3 | 168.4 | -61.4 | 166.8 | 0 | 0 | 0 | 108.5 | F98 M101 V274 | F98-I143 HydrophobicContact CD1-CD1 4.26Å; F98-I143 HydrophobicContact CE1-CD1 3.74Å; M101-I143 HydrophobicContact CE-CD1 3.14Å; M101-I143 HydrophobicContact CE-CG1 3.76Å; M101-I143 HydrophobicContact SD-CD1 3.53Å; M101-I143 VanDerWaalsContact SD-CD1 3.53Å; M101-I143 HydrophobicContact SD-CG1 3.81Å; I143-V274 WeakPolarHBondContact CA-O 3.31Å |
| 144 | N | 90.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 153 | 175.3 | -70.4 | -52.4 | 0 | 0 | 0 | 111.2 | C146 S273 V274 N276 | N144-C146 PolarHBondContact O-N 2.79Å; N144-S273 WeakPolarHBondContact O-CA 3.17Å; N144-V274 HydrophobicContact CB-CG2 4.4Å; N144-V274 PolarHBondContact N-O 3.33Å; N144-V274 PolarHBondContact O-N 3.05Å; N144-N276 PolarHBondContact ND2-ND2 2.89Å; N144-N276 VanDerWaalsContact ND2-ND2 3.14Å |
| 145 | P | 93.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 57 Ų | 57 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 137.8 | 171 | 25.5 | -33.8 | 0 | 0 | 0 | 110.3 | S147 S151 | P145-S147 PolarHBondContact O-N 3.09Å; P145-S147 VanDerWaalsContact O-N 3.13Å; P145-S151 WeakPolarHBondContact CB-OG 3.48Å |
| 146 | C | 94.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | trans | -72.6 | 109.8 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | N144 A148 C149 N150 S151 C268 G272 V274 | N144-C146 PolarHBondContact O-N 2.79Å; C146-A148 VanDerWaalsContact C-N 3.29Å; C146-A148 PolarHBondContact O-N 3.28Å; C146-C149 PolarHBondContact O-N 3.39Å; C146-C149 VanDerWaalsContact SG-SG 3.67Å; C146-N150 WeakPolarHBondContact O-CA 3.48Å; C146-N150 PolarHBondContact O-N 3.49Å; C146-S151 PolarHBondContact O-N 2.95Å; C146-C268 HydrophobicContact CB-CB 3.84Å; C146-G272 WeakPolarHBondContact CB-O 2.98Å; C146-G272 PolarHBondContact N-O 2.9Å; C146-V274 HydrophobicContact CB-CG1 4.05Å | ||
| 147 | S | 92.9 | Very high | 90.6 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 73% | 0.734 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -31 | 177.5 | 56.9 | 0 | 0 | 0 | 0 | 113 | P145 C149 N150 | P145-S147 PolarHBondContact O-N 3.09Å; P145-S147 VanDerWaalsContact O-N 3.13Å; S147-C149 VanDerWaalsContact C-N 3.27Å; S147-C149 PolarHBondContact O-N 2.88Å; S147-N150 PolarHBondContact O-N 2.88Å; S147-N150 PolarHBondContact O-OD1 3.31Å |
| 148 | A | 91.9 | Very high | 90.5 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C146 | C146-A148 VanDerWaalsContact C-N 3.29Å; C146-A148 PolarHBondContact O-N 3.28Å |
| 149 | C | 93.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 10.4 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | C146 S147 S151 D152 G153 I155 C265 | C146-C149 PolarHBondContact O-N 3.39Å; C146-C149 VanDerWaalsContact SG-SG 3.67Å; S147-C149 VanDerWaalsContact C-N 3.27Å; S147-C149 PolarHBondContact O-N 2.88Å; C149-S151 PolarHBondContact O-N 3.31Å; C149-D152 VanDerWaalsContact O-CB 3.23Å; C149-D152 WeakPolarHBondContact O-CB 3.48Å; C149-D152 PolarHBondContact O-N 3.1Å; C149-G153 PolarHBondContact SG-N 2.81Å; C149-I155 HydrophobicContact CB-CG2 3.88Å; C149-C265 HydrophobicContact CB-CB 3.84Å |
| 150 | N | 93.3 | Very high | 90.3 | Very high | 142 Ų | 142 | 61.8 Ų | 61.8 | 76% | 0.759 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 46.1 | -173.1 | -62.2 | -38.1 | 0 | 0 | 0 | 112.8 | C146 S147 D152 | C146-N150 WeakPolarHBondContact O-CA 3.48Å; C146-N150 PolarHBondContact O-N 3.49Å; S147-N150 PolarHBondContact O-N 2.88Å; S147-N150 PolarHBondContact O-OD1 3.31Å; N150-D152 PolarHBondContact O-N 2.86Å; N150-D152 VanDerWaalsContact O-N 3.13Å |
| 151 | S | 92.6 | Very high | 90 | Very high | 62 Ų | 62 | 64.4 Ų | 64.4 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 7.2 | -177.5 | -47.3 | 0 | 0 | 0 | 0 | 117.3 | P145 C146 C149 G153 G272 | P145-S151 WeakPolarHBondContact CB-OG 3.48Å; C146-S151 PolarHBondContact O-N 2.95Å; C149-S151 PolarHBondContact O-N 3.31Å; S151-G153 PolarHBondContact O-N 3.02Å; S151-G272 WeakPolarHBondContact CA-O 3.4Å |
| 152 | D | 92.9 | Very high | 89.6 | Confident | 88 Ų | 88 | 64 Ų | 64 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | trans | -72 | -18.3 | 178.1 | -169.3 | 50.1 | 0 | 0 | 0 | 113 | C149 N150 T154 K262 | C149-D152 VanDerWaalsContact O-CB 3.23Å; C149-D152 WeakPolarHBondContact O-CB 3.48Å; C149-D152 PolarHBondContact O-N 3.1Å; N150-D152 PolarHBondContact O-N 2.86Å; N150-D152 VanDerWaalsContact O-N 3.13Å; D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; D152-K262 IonicContact OD1-NZ 2.87Å; D152-K262 IonicContact OD2-NZ 3.2Å; D152-K262 PolarHBondContact OD2-NZ 2.77Å | ||
| 153 | G | 92.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 69.7 | -13.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C149 S151 C265 G270 | C149-G153 PolarHBondContact SG-N 2.81Å; S151-G153 PolarHBondContact O-N 3.02Å; G153-C265 VanDerWaalsContact O-CB 3.29Å; G153-C265 WeakPolarHBondContact O-CB 3.37Å; G153-C265 PolarHBondContact O-N 3.3Å; G153-G270 WeakPolarHBondContact CA-O 3.23Å; G153-G270 VanDerWaalsContact O-CA 3.23Å; G153-G270 WeakPolarHBondContact O-CA 3.42Å |
| 154 | T | 93.6 | Very high | 88.9 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.7 | 177.2 | 78.1 | 0 | 0 | 0 | 0 | 111.7 | D152 K262 K263 | D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; T154-K262 WeakPolarHBondContact OG1-CD 3.25Å; T154-K262 PolarHBondContact OG1-NZ 3.03Å; T154-K263 CarbonylContact C-O 3.52Å; T154-K263 WeakPolarHBondContact CA-O 3.3Å; T154-K263 WeakPolarHBondContact CB-O 3.25Å |
| 155 | I | 92 | Very high | 88.5 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 150.3 | 170 | 58.9 | 176 | 0 | 0 | 0 | 108.7 | C149 F158 K262 K263 C265 | C149-I155 HydrophobicContact CB-CG2 3.88Å; I155-F158 HydrophobicContact CD1-CE2 3.99Å; I155-K262 CarbonylContact O-C 3.57Å; I155-K262 WeakPolarHBondContact O-CA 3.32Å; I155-K263 PolarHBondContact N-O 2.84Å; I155-K263 PolarHBondContact O-N 2.9Å; I155-C265 HydrophobicContact CG2-CB 4.05Å |
| 156 | H | 89.7 | Confident | 88 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 143.3 | 174.1 | 67 | -85.7 | 0 | 0 | 0 | 109.5 | F158 | H156-F158 AromaticContact NE2-CD1 3.89Å; H156-F158 AromaticContact NE2-CE1 3.91Å; H156-F158 PolarHBondContact O-N 3.23Å |
| 157 | C | 87.7 | Confident | 87.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | trans | -67 | 120.2 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | H159 C160 R161 G162 C257 G261 K263 | C157-H159 VanDerWaalsContact C-N 3.26Å; C157-H159 PolarHBondContact O-N 3.23Å; C157-C160 VanDerWaalsContact CB-SG 3.54Å; C157-R161 WeakPolarHBondContact O-CA 3.2Å; C157-R161 PolarHBondContact O-N 2.68Å; C157-G162 PolarHBondContact O-N 2.89Å; C157-C257 HydrophobicContact CB-CB 3.76Å; C157-G261 WeakPolarHBondContact CB-O 3.33Å; C157-G261 PolarHBondContact N-O 3.04Å; C157-K263 HydrophobicContact CB-CG 4.27Å | ||
| 158 | F | 85.7 | Confident | 87 | Confident | 148 Ų | 148 | 55 Ų | 55 | 65% | 0.649 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.4 | 179.7 | -70.1 | -73.8 | 0 | 0 | 0 | 113.6 | I155 H156 | I155-F158 HydrophobicContact CD1-CE2 3.99Å; H156-F158 AromaticContact NE2-CD1 3.89Å; H156-F158 AromaticContact NE2-CE1 3.91Å; H156-F158 PolarHBondContact O-N 3.23Å |
| 159 | H | 83.7 | Confident | 86.6 | Confident | 115 Ų | 115 | 57.1 Ų | 57.1 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -49.4 | -178.9 | -65.7 | -83.9 | 0 | 0 | 0 | 112.5 | C157 H256 | C157-H159 VanDerWaalsContact C-N 3.26Å; C157-H159 PolarHBondContact O-N 3.23Å; H159-H256 HydrophobicContact CB-CB 4.27Å; H159-H256 AromaticContact CD2-CD2 3.57Å; H159-H256 AromaticContact CD2-CG 3.36Å; H159-H256 AromaticContact CD2-ND1 3.69Å; H159-H256 AromaticContact CD2-NE2 4Å; H159-H256 AromaticContact CE1-CD2 3.95Å; H159-H256 AromaticContact CE1-CE1 3.65Å; H159-H256 AromaticContact CE1-NE2 3.62Å; H159-H256 AromaticContact CG-CD2 3.32Å; H159-H256 AromaticContact CG-CG 3.63Å; H159-H256 AromaticContact CG-NE2 3.76Å; H159-H256 AromaticContact ND1-CD2 3.59Å; H159-H256 AromaticContact ND1-NE2 3.52Å; H159-H256 AromaticContact NE2-CD2 3.96Å; H159-H256 AromaticContact NE2-CE1 3.66Å; H159-H256 AromaticContact NE2-CG 3.76Å; H159-H256 AromaticContact NE2-ND1 3.57Å; H159-H256 AromaticContact NE2-NE2 3.92Å |
| 160 | C | 80.9 | Confident | 86.2 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.034 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 7.8 | 178.1 | 68.8 | 0 | 0 | 0 | 0 | 113.2 | C157 G162 Y163 G164 D166 C254 | C157-C160 VanDerWaalsContact CB-SG 3.54Å; C160-G162 PolarHBondContact O-N 2.98Å; C160-Y163 VanDerWaalsContact O-CB 3.23Å; C160-Y163 WeakPolarHBondContact O-CB 3.13Å; C160-Y163 WeakPolarHBondContact O-CD2 3.17Å; C160-Y163 PolarHBondContact O-N 2.69Å; C160-G164 PolarHBondContact SG-N 2.98Å; C160-D166 WeakPolarHBondContact CB-OD1 3.36Å; C160-C254 HydrophobicContact CB-CB 3.67Å |
| 161 | R | 81.1 | Confident | 85.7 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 28% | 0.279 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 33.3 | -180 | -57.9 | -179.4 | 177 | 163.6 | -1.2 | 114.9 | C157 Y163 | C157-R161 WeakPolarHBondContact O-CA 3.2Å; C157-R161 PolarHBondContact O-N 2.68Å; R161-Y163 HydrophobicContact CB-CD2 4.31Å; R161-Y163 HydrophobicContact CB-CE2 4.37Å |
| 162 | G | 80.9 | Confident | 85.2 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -6.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C157 C160 G164 G261 | C157-G162 PolarHBondContact O-N 2.89Å; C160-G162 PolarHBondContact O-N 2.98Å; G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.29Å; G162-G261 VanDerWaalsContact CA-O 3.31Å; G162-G261 WeakPolarHBondContact CA-O 3.42Å |
| 163 | Y | 80 | Confident | 84.5 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -75.6 | -21.9 | -174.6 | -73.4 | -61.6 | 0 | 0 | 0 | 114.5 | C160 R161 T165 M210 | C160-Y163 VanDerWaalsContact O-CB 3.23Å; C160-Y163 WeakPolarHBondContact O-CB 3.13Å; C160-Y163 WeakPolarHBondContact O-CD2 3.17Å; C160-Y163 PolarHBondContact O-N 2.69Å; R161-Y163 HydrophobicContact CB-CD2 4.31Å; R161-Y163 HydrophobicContact CB-CE2 4.37Å; Y163-T165 PolarHBondContact O-N 2.88Å; Y163-T165 PolarHBondContact O-OG1 2.96Å; Y163-M210 VanDerWaalsContact CB-CE 3.41Å; Y163-M210 HydrophobicContact CD1-CE 3.27Å; Y163-M210 HydrophobicContact CD2-CE 4.28Å; Y163-M210 HydrophobicContact CE1-CE 4.11Å; Y163-M210 HydrophobicContact CG-CE 3.39Å |
| 164 | G | 83.1 | Confident | 84 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 74.8 | -4.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C160 G162 C254 G259 G261 | C160-G164 PolarHBondContact SG-N 2.98Å; G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.29Å; G164-C254 WeakPolarHBondContact O-CB 3.46Å; G164-C254 PolarHBondContact O-N 3.04Å; G164-G259 WeakPolarHBondContact CA-O 3.49Å; G164-G259 VanDerWaalsContact O-CA 3.23Å; G164-G259 WeakPolarHBondContact O-CA 3.43Å; G164-G261 VanDerWaalsContact CA-CA 3.48Å |
| 165 | T | 83.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.9 | -174.8 | 48 | 0 | 0 | 0 | 0 | 110.7 | Y163 M210 I251 K252 | Y163-T165 PolarHBondContact O-N 2.88Å; Y163-T165 PolarHBondContact O-OG1 2.96Å; T165-M210 VanDerWaalsContact OG1-CE 3.3Å; T165-M210 WeakPolarHBondContact OG1-CE 3.43Å; T165-M210 PolarHBondContact OG1-SD 2.97Å; T165-I251 HydrophobicContact CG2-CD1 4.13Å; T165-K252 CarbonylContact C-O 3.54Å; T165-K252 WeakPolarHBondContact CA-O 3.47Å; T165-K252 VanDerWaalsContact CB-O 3.23Å; T165-K252 WeakPolarHBondContact CB-O 3.37Å |
| 166 | D | 81.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.6 | 178.3 | -65 | -31.6 | 0 | 0 | 0 | 110 | C160 C168 I251 K252 C254 | C160-D166 WeakPolarHBondContact CB-OD1 3.36Å; D166-C168 PolarHBondContact O-N 3.18Å; D166-I251 CarbonylContact O-C 3.5Å; D166-I251 WeakPolarHBondContact O-CA 3.47Å; D166-K252 PolarHBondContact N-O 2.76Å; D166-K252 PolarHBondContact O-N 3.48Å; D166-C254 VanDerWaalsContact OD2-CA 3.24Å; D166-C254 WeakPolarHBondContact OD2-CA 3.45Å; D166-C254 WeakPolarHBondContact OD2-CB 3.32Å; D166-C254 PolarHBondContact OD2-SG 3.04Å |
| 167 | K | 81.6 | Confident | 83.1 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 131.9 | 171.7 | 173.3 | 177.2 | -83.6 | -155.8 | 0 | 109.2 | S169 R172 T208 | K167-S169 PolarHBondContact O-N 2.74Å; K167-R172 VanDerWaalsContact CD-O 3.23Å; K167-R172 WeakPolarHBondContact CD-O 3.46Å; K167-R172 WeakPolarHBondContact CE-O 3.42Å; K167-R172 PolarHBondContact NZ-O 3.03Å; K167-R172 VanDerWaalsContact NZ-O 3.11Å; K167-T208 WeakPolarHBondContact CE-OG1 3.41Å |
| 168 | C | 84.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -64.3 | 114.1 | 174.2 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | D166 F170 C171 R172 G173 C246 G250 K252 | D166-C168 PolarHBondContact O-N 3.18Å; C168-F170 VanDerWaalsContact C-N 3.26Å; C168-F170 PolarHBondContact O-N 3.19Å; C168-C171 VanDerWaalsContact CB-SG 3.53Å; C168-R172 WeakPolarHBondContact O-CA 3.42Å; C168-R172 PolarHBondContact O-N 3.29Å; C168-G173 PolarHBondContact O-N 2.63Å; C168-C246 HydrophobicContact CB-CB 4.02Å; C168-G250 WeakPolarHBondContact CB-O 3.03Å; C168-G250 PolarHBondContact N-O 3.24Å; C168-K252 HydrophobicContact CB-CG 4.36Å | ||
| 169 | S | 84.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 57.2 Ų | 57.2 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -34.1 | -179.9 | 52 | 0 | 0 | 0 | 0 | 113 | K167 | K167-S169 PolarHBondContact O-N 2.74Š|
| 170 | F | 85.1 | Confident | 82.2 | Confident | 82 Ų | 82 | 53.8 Ų | 53.8 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -46.5 | -177.1 | -168.1 | -92.8 | 0 | 0 | 0 | 113.1 | C168 Y244 M245 | C168-F170 VanDerWaalsContact C-N 3.26Å; C168-F170 PolarHBondContact O-N 3.19Å; F170-Y244 HydrophobicContact CD1-CD1 4.45Å; F170-Y244 HydrophobicContact CD1-CE1 4.05Å; F170-Y244 HydrophobicContact CD2-CE1 4.27Å; F170-Y244 AromaticContact CE1-CD1 3.95Å; F170-Y244 HydrophobicContact CE1-CD1 3.95Å; F170-Y244 AromaticContact CE1-CE1 3.5Å; F170-Y244 HydrophobicContact CE1-CE1 3.5Å; F170-Y244 AromaticContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CG-CE1 4.42Å; F170-Y244 HydrophobicContact CZ-CD1 4.23Å; F170-Y244 AromaticContact CZ-CE1 3.37Å; F170-Y244 HydrophobicContact CZ-CE1 3.37Å; F170-M245 HydrophobicContact CB-CB 4.02Å; F170-M245 HydrophobicContact CB-CG 3.93Å; F170-M245 HydrophobicContact CD1-CG 4.35Å; F170-M245 HydrophobicContact CD2-CG 4.22Å; F170-M245 HydrophobicContact CG-CB 4.33Å; F170-M245 HydrophobicContact CG-CG 3.89Å |
| 171 | C | 83.3 | Confident | 81.8 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 3.8 | 179.5 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | C168 G173 T174 G175 M176 C243 C246 | C168-C171 VanDerWaalsContact CB-SG 3.53Å; C171-G173 PolarHBondContact O-N 2.86Å; C171-T174 WeakPolarHBondContact O-CB 3.25Å; C171-T174 WeakPolarHBondContact O-CG2 3.23Å; C171-T174 PolarHBondContact O-N 3.49Å; C171-T174 PolarHBondContact O-OG1 3.44Å; C171-G175 PolarHBondContact SG-N 3.37Å; C171-M176 VanDerWaalsContact CB-O 3.24Å; C171-M176 WeakPolarHBondContact CB-O 3.45Å; C171-C243 HydrophobicContact CB-CB 3.76Å; C171-C246 VanDerWaalsContact SG-SG 3.62Å |
| 172 | R | 80.6 | Confident | 81.2 | Confident | 201 Ų | 201 | 52.6 Ų | 52.6 | 76% | 0.758 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 27.2 | -176.4 | -60.7 | -177.4 | 173.7 | 171.8 | -2.1 | 115.2 | K167 C168 | K167-R172 VanDerWaalsContact CD-O 3.23Å; K167-R172 WeakPolarHBondContact CD-O 3.46Å; K167-R172 WeakPolarHBondContact CE-O 3.42Å; K167-R172 PolarHBondContact NZ-O 3.03Å; K167-R172 VanDerWaalsContact NZ-O 3.11Å; C168-R172 WeakPolarHBondContact O-CA 3.42Å; C168-R172 PolarHBondContact O-N 3.29Å |
| 173 | G | 79.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | -11.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C168 C171 G175 T222 G250 | C168-G173 PolarHBondContact O-N 2.63Å; C171-G173 PolarHBondContact O-N 2.86Å; G173-G175 PolarHBondContact O-N 3.35Å; G173-T222 VanDerWaalsContact O-CG2 3.26Å; G173-T222 WeakPolarHBondContact O-CG2 3.43Å; G173-G250 WeakPolarHBondContact CA-O 3.39Å |
| 174 | T | 81.9 | Confident | 79.6 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 24% | 0.239 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74.6 | -24.3 | -174.6 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | C171 M176 F194 P223 | C171-T174 WeakPolarHBondContact O-CB 3.25Å; C171-T174 WeakPolarHBondContact O-CG2 3.23Å; C171-T174 PolarHBondContact O-N 3.49Å; C171-T174 PolarHBondContact O-OG1 3.44Å; T174-M176 PolarHBondContact O-N 3.29Å; T174-M176 PolarHBondContact OG1-N 2.84Å; T174-F194 HydrophobicContact CG2-CE2 4.38Å; T174-F194 HydrophobicContact CG2-CZ 4.08Å; T174-P223 WeakPolarHBondContact O-CD 3.1Å |
| 175 | G | 84.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | 73 | -1.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C171 G173 C243 G248 | C171-G175 PolarHBondContact SG-N 3.37Å; G173-G175 PolarHBondContact O-N 3.35Å; G175-C243 VanDerWaalsContact O-CB 3.28Å; G175-C243 WeakPolarHBondContact O-CB 3.22Å; G175-C243 PolarHBondContact O-N 3Å; G175-G248 VanDerWaalsContact O-CA 3.31Å; G175-G248 WeakPolarHBondContact O-CA 3.32Å | ||
| 176 | M | 84.8 | Confident | 76.9 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 154.2 | -179.2 | -61.3 | -86.7 | 21.6 | 0 | 0 | 111.5 | C171 T174 V180 H182 P183 P223 I237 D241 L242 | C171-M176 VanDerWaalsContact CB-O 3.24Å; C171-M176 WeakPolarHBondContact CB-O 3.45Å; T174-M176 PolarHBondContact O-N 3.29Å; T174-M176 PolarHBondContact OG1-N 2.84Å; M176-V180 HydrophobicContact CE-CB 4.28Å; M176-V180 HydrophobicContact CE-CG1 3.78Å; M176-V180 HydrophobicContact SD-CG1 4.48Å; M176-H182 HydrophobicContact CG-CB 4.31Å; M176-P183 WeakPolarHBondContact SD-CD 3.4Å; M176-P183 HydrophobicContact SD-CG 4.36Å; M176-P223 HydrophobicContact CE-CG 4.33Å; M176-P223 HydrophobicContact CG-CG 4.24Å; M176-P223 HydrophobicContact SD-CG 3.64Å; M176-I237 HydrophobicContact CE-CG2 4.3Å; M176-I237 HydrophobicContact SD-CD1 4.15Å; M176-D241 HydrophobicContact CE-CB 3.88Å; M176-D241 WeakPolarHBondContact CE-O 3.47Å; M176-L242 HydrophobicContact CE-CD2 4.33Å |
| 177 | K | 87.4 | Confident | 75.4 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 145.8 | 168.1 | -176.3 | -178.7 | 176.8 | -173.7 | 0 | 109.8 | G179 V180 D241 | K177-G179 PolarHBondContact O-N 3.4Å; K177-V180 HydrophobicContact CB-CG2 4.01Å; K177-V180 WeakPolarHBondContact O-CB 3.32Å; K177-V180 PolarHBondContact O-N 2.79Å; K177-V180 VanDerWaalsContact O-N 3.11Å; K177-D241 WeakPolarHBondContact CB-O 2.92Å; K177-D241 PolarHBondContact N-O 3.28Å |
| 178 | S | 80.5 | Confident | 73.6 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 62% | 0.622 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 133.8 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | V180 | S178-V180 VanDerWaalsContact C-N 3.31Š|
| 179 | G | 77 | Confident | 71.6 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 93% | 0.928 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -7.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | K177 | K177-G179 PolarHBondContact O-N 3.4Š|
| 180 | V | 79.9 | Confident | 69.5 | Low | 44 Ų | 44 | 71.7 Ų | 71.7 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 126.5 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | M176 K177 S178 H182 D241 | M176-V180 HydrophobicContact CE-CB 4.28Å; M176-V180 HydrophobicContact CE-CG1 3.78Å; M176-V180 HydrophobicContact SD-CG1 4.48Å; K177-V180 HydrophobicContact CB-CG2 4.01Å; K177-V180 WeakPolarHBondContact O-CB 3.32Å; K177-V180 PolarHBondContact O-N 2.79Å; K177-V180 VanDerWaalsContact O-N 3.11Å; S178-V180 VanDerWaalsContact C-N 3.31Å; V180-H182 PolarHBondContact O-N 3.21Å; V180-D241 HydrophobicContact CG1-CB 4.12Å; V180-D241 HydrophobicContact CG2-CB 4.47Å |
| 181 | A | 72.8 | Confident | 67.5 | Low | 41 Ų | 41 | 72.3 Ų | 72.3 | 34% | 0.339 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 132.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y186 | A181-Y186 HydrophobicContact CB-CE2 3.65Å; A181-Y186 WeakPolarHBondContact CB-OH 3.45Å |
| 182 | H | 69.4 | Low | 65.4 | Low | 13 Ų | 13 | 74.3 Ų | 74.3 | 6% | 0.06 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 138.5 | -178.6 | -174.4 | -87.1 | 0 | 0 | 0 | 110.6 | M176 V180 A184 V185 F194 G221 | M176-H182 HydrophobicContact CG-CB 4.31Å; V180-H182 PolarHBondContact O-N 3.21Å; H182-A184 VanDerWaalsContact ND1-CB 3.27Å; H182-A184 WeakPolarHBondContact ND1-CB 3.4Å; H182-A184 PolarHBondContact ND1-N 2.87Å; H182-A184 VanDerWaalsContact ND1-N 3.18Å; H182-A184 PolarHBondContact O-N 3.33Å; H182-V185 HydrophobicContact CB-CG2 4.19Å; H182-V185 VanDerWaalsContact O-CB 3.27Å; H182-V185 WeakPolarHBondContact O-CB 3.34Å; H182-V185 WeakPolarHBondContact O-CG2 3.49Å; H182-V185 PolarHBondContact O-N 2.79Å; H182-F194 HydrophobicContact CB-CZ 4.41Å; H182-F194 AromaticContact CD2-CE1 3.99Å; H182-F194 AromaticContact CD2-CZ 3.62Å; H182-F194 AromaticContact CE1-CE1 3.67Å; H182-F194 AromaticContact CE1-CZ 3.68Å; H182-F194 AromaticContact CG-CZ 3.7Å; H182-F194 AromaticContact ND1-CZ 3.73Å; H182-F194 AromaticContact NE2-CE1 3.51Å; H182-F194 AromaticContact NE2-CZ 3.61Å; H182-G221 PolarHBondContact CE1-O 2.82Å; H182-G221 PolarHBondContact NE2-O 2.82Å |
| 183 | P | 64.4 | Low | 63.7 | Low | 15 Ų | 15 | 69.9 Ų | 69.9 | 10% | 0.097 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56 | -30.8 | -175.5 | 11.6 | -24.1 | 0 | 0 | 0 | 113.9 | M176 V185 Y186 P223 P234 I237 | M176-P183 WeakPolarHBondContact SD-CD 3.4Å; M176-P183 HydrophobicContact SD-CG 4.36Å; P183-V185 PolarHBondContact O-N 2.85Å; P183-Y186 PolarHBondContact O-N 3.05Å; P183-Y186 VanDerWaalsContact O-N 3.16Å; P183-P223 HydrophobicContact CG-CG 4.38Å; P183-P234 HydrophobicContact CB-CB 3.99Å; P183-P234 HydrophobicContact CB-CG 4.41Å; P183-P234 HydrophobicContact CG-CB 4.36Å; P183-P234 HydrophobicContact CG-CG 4.31Å; P183-I237 HydrophobicContact CB-CD1 3.52Å; P183-I237 VanDerWaalsContact CD-CD1 3.44Å; P183-I237 HydrophobicContact CG-CD1 3.37Å |
| 184 | A | 61.5 | Low | 62.3 | Low | 5 Ų | 5 | 73 Ų | 73 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.6 | -16.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H182 Y186 I191 | H182-A184 VanDerWaalsContact ND1-CB 3.27Å; H182-A184 WeakPolarHBondContact ND1-CB 3.4Å; H182-A184 PolarHBondContact ND1-N 2.87Å; H182-A184 VanDerWaalsContact ND1-N 3.18Å; H182-A184 PolarHBondContact O-N 3.33Å; A184-Y186 VanDerWaalsContact C-N 3.33Å; A184-I191 HydrophobicContact CB-CG2 4.29Å |
| 185 | V | 57.4 | Low | 60.7 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 52% | 0.521 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.6 | -28.5 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | H182 P183 | H182-V185 HydrophobicContact CB-CG2 4.19Å; H182-V185 VanDerWaalsContact O-CB 3.27Å; H182-V185 WeakPolarHBondContact O-CB 3.34Å; H182-V185 WeakPolarHBondContact O-CG2 3.49Å; H182-V185 PolarHBondContact O-N 2.79Å; P183-V185 PolarHBondContact O-N 2.85Å |
| 186 | Y | 52.9 | Low | 59.1 | Low | 181 Ų | 181 | 82.2 Ų | 82.2 | 71% | 0.71 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -81.9 | -19.6 | 179.9 | -65.7 | -79.8 | 0 | 0 | 0 | 113.4 | A181 P183 A184 | A181-Y186 HydrophobicContact CB-CE2 3.65Å; A181-Y186 WeakPolarHBondContact CB-OH 3.45Å; P183-Y186 PolarHBondContact O-N 3.05Å; P183-Y186 VanDerWaalsContact O-N 3.16Å; A184-Y186 VanDerWaalsContact C-N 3.33Å |
| 187 | T | 50.3 | Low | 57.5 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -102.1 | -14.1 | -171.9 | 54.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 188 | H | 44 | Very low | 55.3 | Low | 124 Ų | 124 | 83 Ų | 83 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | trans | 178.3 | 143.1 | 157.8 | -114.1 | -79.9 | 0 | 0 | 0 | 110.4 | M190 I191 | H188-M190 PolarHBondContact O-N 3.24Å; H188-I191 HydrophobicContact CB-CD1 3.8Å; H188-I191 HydrophobicContact CB-CG1 3.96Å; H188-I191 PolarHBondContact O-N 3.26Å | ||
| 189 | P | 42.1 | Very low | 53.6 | Low | 115 Ų | 115 | 85.3 Ų | 85.3 | 75% | 0.747 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.1 | 179.3 | -21.9 | 31.7 | 0 | 0 | 0 | 115.5 | ||
| 190 | M | 40.1 | Very low | 52.2 | Low | 162 Ų | 162 | 85.4 Ų | 85.4 | 80% | 0.798 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -7 | -175.9 | -67.5 | -76.8 | -79.9 | 0 | 0 | 114 | H188 | H188-M190 PolarHBondContact O-N 3.24Š|
| 191 | I | 43.6 | Very low | 50.9 | Low | 95 Ų | 95 | 91.4 Ų | 91.4 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -90.2 | -6.9 | 179 | -59.1 | 175.4 | 0 | 0 | 0 | 111.2 | A184 H188 T193 | A184-I191 HydrophobicContact CB-CG2 4.29Å; H188-I191 HydrophobicContact CB-CD1 3.8Å; H188-I191 HydrophobicContact CB-CG1 3.96Å; H188-I191 PolarHBondContact O-N 3.26Å; I191-T193 PolarHBondContact O-N 2.85Å; I191-T193 VanDerWaalsContact O-N 3.08Å |
| 192 | A | 39.9 | Very low | 49.4 | Very low | 51 Ų | 51 | 92.1 Ų | 92.1 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | trans | -69.7 | 0.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F194 | A192-F194 VanDerWaalsContact C-N 3.26Å; A192-F194 PolarHBondContact O-N 2.92Å | ||
| 193 | T | 43.6 | Very low | 48.4 | Very low | 107 Ų | 107 | 99.9 Ų | 99.9 | 66% | 0.656 | 53% | 0.531 | S | S | * | . | trans | -77.6 | 82 | 168.4 | -31.1 | 0 | 0 | 0 | 0 | 108.1 | I191 P195 | I191-T193 PolarHBondContact O-N 2.85Å; I191-T193 VanDerWaalsContact O-N 3.08Å; T193-P195 WeakPolarHBondContact O-CD 3.28Å; T193-P195 VanDerWaalsContact O-N 3.09Å | ||
| 194 | F | 51.4 | Low | 47.4 | Very low | 69 Ų | 69 | 103.7 Ų | 103.7 | 30% | 0.303 | 56% | 0.564 | S | S | . | * | trans | -50.5 | 121.8 | 161 | -67.5 | -83.2 | 0 | 0 | 0 | 106.4 | T174 H182 A192 H196 | T174-F194 HydrophobicContact CG2-CE2 4.38Å; T174-F194 HydrophobicContact CG2-CZ 4.08Å; H182-F194 HydrophobicContact CB-CZ 4.41Å; H182-F194 AromaticContact CD2-CE1 3.99Å; H182-F194 AromaticContact CD2-CZ 3.62Å; H182-F194 AromaticContact CE1-CE1 3.67Å; H182-F194 AromaticContact CE1-CZ 3.68Å; H182-F194 AromaticContact CG-CZ 3.7Å; H182-F194 AromaticContact ND1-CZ 3.73Å; H182-F194 AromaticContact NE2-CE1 3.51Å; H182-F194 AromaticContact NE2-CZ 3.61Å; A192-F194 VanDerWaalsContact C-N 3.26Å; A192-F194 PolarHBondContact O-N 2.92Å; F194-H196 PolarHBondContact O-N 3.02Å | ||
| 195 | P | 47.3 | Very low | 46.7 | Very low | 63 Ų | 63 | 107.1 Ų | 107.1 | 41% | 0.409 | 59% | 0.588 | S | S | . | * | trans | -56.8 | 111.6 | -179.6 | -4.4 | 6.5 | 0 | 0 | 0 | 107.5 | T193 A209 I220 | T193-P195 WeakPolarHBondContact O-CD 3.28Å; T193-P195 VanDerWaalsContact O-N 3.09Å; P195-A209 HydrophobicContact CB-CB 4.07Å; P195-A209 HydrophobicContact CG-CB 4.18Å; P195-I220 HydrophobicContact CG-CB 4.49Å; P195-I220 HydrophobicContact CG-CG2 3.9Å | ||
| 196 | H | 51.2 | Low | 46.4 | Very low | 170 Ų | 170 | 107.6 Ų | 107.6 | 79% | 0.787 | 60% | 0.595 | S | S | * | * | B | Isolated β-bridge | trans | -59.7 | 143.5 | 160.3 | -75.1 | -80.2 | 0 | 0 | 0 | 106.8 | F194 | F194-H196 PolarHBondContact O-N 3.02Å |
| 197 | A | 50.3 | Low | 46.3 | Very low | 24 Ų | 24 | 100.3 Ų | 100.3 | 20% | 0.198 | 57% | 0.57 | C | S | . | * | trans | -28.7 | 139.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L199 S207 | A197-L199 PolarHBondContact O-N 2.87Å; A197-S207 WeakPolarHBondContact CB-O 3.02Å | ||
| 198 | D | 40.8 | Very low | 46.7 | Very low | 110 Ų | 110 | 97.2 Ų | 97.2 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | trans | -45.3 | 109.4 | 162.5 | -167.6 | -16.2 | 0 | 0 | 0 | 109.7 | S200 | D198-S200 PolarHBondContact O-N 3.35Å; D198-S200 VanDerWaalsContact OD1-CB 3.27Å; D198-S200 WeakPolarHBondContact OD1-CB 3.41Å; D198-S200 PolarHBondContact OD1-N 2.78Å; D198-S200 PolarHBondContact OD1-OG 2.94Å; D198-S200 PolarHBondContact OD2-OG 2.84Å | ||
| 199 | L | 46.9 | Very low | 47.7 | Very low | 138 Ų | 138 | 92.3 Ų | 92.3 | 72% | 0.723 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -76.8 | -3.6 | -173.1 | -152 | 75.6 | 0 | 0 | 0 | 111.9 | A197 R201 G202 | A197-L199 PolarHBondContact O-N 2.87Å; L199-R201 PolarHBondContact O-N 3.26Å; L199-R201 VanDerWaalsContact O-N 3.1Å; L199-G202 PolarHBondContact O-N 3.45Å |
| 200 | S | 47.1 | Very low | 49.1 | Very low | 92 Ų | 92 | 89.1 Ų | 89.1 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -63.7 | -14.5 | -178.7 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | D198 | D198-S200 PolarHBondContact O-N 3.35Å; D198-S200 VanDerWaalsContact OD1-CB 3.27Å; D198-S200 WeakPolarHBondContact OD1-CB 3.41Å; D198-S200 PolarHBondContact OD1-N 2.78Å; D198-S200 PolarHBondContact OD1-OG 2.94Å; D198-S200 PolarHBondContact OD2-OG 2.84Å |
| 201 | R | 52.4 | Low | 50.5 | Low | 170 Ų | 170 | 83.4 Ų | 83.4 | 64% | 0.642 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -112 | 16.7 | 177.2 | -70.2 | -175.8 | 171.6 | -173.6 | -2.8 | 115.3 | L199 Y203 | L199-R201 PolarHBondContact O-N 3.26Å; L199-R201 VanDerWaalsContact O-N 3.1Å; R201-Y203 PolarHBondContact O-N 3.37Å |
| 202 | G | 40.7 | Very low | 52 | Low | 55 Ų | 55 | 87.2 Ų | 87.2 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 77.2 | 10.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120 | L199 | L199-G202 PolarHBondContact O-N 3.45Š|
| 203 | Y | 48.3 | Very low | 53.6 | Low | 176 Ų | 176 | 90 Ų | 90 | 69% | 0.69 | 50% | 0.495 | S | S | * | . | trans | -138.9 | 117.9 | 176 | -70 | -84.4 | 0 | 0 | 0 | 113.7 | R201 S205 | R201-Y203 PolarHBondContact O-N 3.37Å; Y203-S205 PolarHBondContact O-N 3.12Å | ||
| 204 | A | 43.4 | Very low | 55.1 | Low | 95 Ų | 95 | 88.5 Ų | 88.5 | 79% | 0.785 | 50% | 0.5 | S | S | * | . | trans | -74.4 | 86.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 205 | S | 47.8 | Very low | 56.1 | Low | 78 Ų | 78 | 90.8 Ų | 90.8 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | S | Bend | trans | 168.5 | 141.2 | 148 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | Y203 | Y203-S205 PolarHBondContact O-N 3.12Š|
| 206 | S | 49.9 | Very low | 57.5 | Low | 96 Ų | 96 | 91.1 Ų | 91.1 | 67% | 0.671 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 98.5 | -13.1 | 158.1 | -51.2 | 0 | 0 | 0 | 0 | 120.5 | ||
| 207 | S | 51.9 | Low | 59 | Low | 27 Ų | 27 | 84.2 Ų | 84.2 | 19% | 0.189 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 116.4 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | A197 | A197-S207 WeakPolarHBondContact CB-O 3.02Š|
| 208 | T | 57.4 | Low | 60.6 | Low | 24 Ų | 24 | 84.1 Ų | 84.1 | 15% | 0.147 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 131.7 | 161.6 | -45.5 | 0 | 0 | 0 | 0 | 107 | K167 M210 | K167-T208 WeakPolarHBondContact CE-OG1 3.41Å; T208-M210 WeakPolarHBondContact O-CG 3.39Å; T208-M210 PolarHBondContact O-N 3.21Å |
| 209 | A | 65.2 | Low | 62.5 | Low | 22 Ų | 22 | 78.9 Ų | 78.9 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -60 | 136.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P195 I220 | P195-A209 HydrophobicContact CB-CB 4.07Å; P195-A209 HydrophobicContact CG-CB 4.18Å; A209-I220 HydrophobicContact CB-CB 4.28Å; A209-I220 HydrophobicContact CB-CD1 3.47Å; A209-I220 VanDerWaalsContact CB-CD1 3.47Å; A209-I220 HydrophobicContact CB-CG1 4.11Å; A209-I220 WeakPolarHBondContact O-CB 3.39Å; A209-I220 WeakPolarHBondContact O-CG1 3.33Å; A209-I220 PolarHBondContact O-N 2.83Å |
| 210 | M | 71.4 | Confident | 63.9 | Low | 48 Ų | 48 | 74.6 Ų | 74.6 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.8 | -171.7 | -55 | -167.5 | -70.8 | 0 | 0 | 111.9 | Y163 T165 T208 Y218 I251 | Y163-M210 VanDerWaalsContact CB-CE 3.41Å; Y163-M210 HydrophobicContact CD1-CE 3.27Å; Y163-M210 HydrophobicContact CD2-CE 4.28Å; Y163-M210 HydrophobicContact CE1-CE 4.11Å; Y163-M210 HydrophobicContact CG-CE 3.39Å; T165-M210 VanDerWaalsContact OG1-CE 3.3Å; T165-M210 WeakPolarHBondContact OG1-CE 3.43Å; T165-M210 PolarHBondContact OG1-SD 2.97Å; T208-M210 WeakPolarHBondContact O-CG 3.39Å; T208-M210 PolarHBondContact O-N 3.21Å; M210-Y218 WeakPolarHBondContact CA-O 3.44Å; M210-I251 HydrophobicContact CG-CG2 4.42Å; M210-I251 HydrophobicContact SD-CD1 3.67Å; M210-I251 HydrophobicContact SD-CG2 4Å |
| 211 | V | 70.6 | Confident | 65.3 | Low | 41 Ų | 41 | 70.8 Ų | 70.8 | 25% | 0.248 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.9 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 108.9 | Y218 I220 | V211-Y218 PolarHBondContact N-O 3.11Å; V211-Y218 PolarHBondContact O-N 2.83Å; V211-I220 HydrophobicContact CB-CG1 4.41Å; V211-I220 HydrophobicContact CG2-CD1 3.86Å; V211-I220 HydrophobicContact CG2-CG1 3.49Å; V211-I220 VanDerWaalsContact CG2-CG1 3.49Å |
| 212 | R | 75.1 | Confident | 66.7 | Low | 176 Ų | 176 | 62.7 Ų | 62.7 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.7 | 172.9 | -66.9 | -172.6 | 172.8 | 178.3 | -0.6 | 109 | ||
| 213 | H | 73.3 | Confident | 68.6 | Low | 110 Ų | 110 | 60.1 Ų | 60.1 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 107.1 | 173.1 | -168.2 | -84.4 | 0 | 0 | 0 | 108.7 | N216 | H213-N216 PolarHBondContact N-O 2.71Å; H213-N216 PolarHBondContact O-N 2.91Å |
| 214 | G | 75.2 | Confident | 70.3 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -133.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N216 | G214-N216 VanDerWaalsContact C-N 3.34Š|
| 215 | S | 71.2 | Confident | 72.2 | Confident | 116 Ų | 116 | 49.8 Ų | 49.8 | 81% | 0.811 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.2 | 176.8 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 216 | N | 78.2 | Confident | 73.8 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 142.4 | -173.4 | -71.6 | -35.1 | 0 | 0 | 0 | 112.4 | H213 G214 Y218 | H213-N216 PolarHBondContact N-O 2.71Å; H213-N216 PolarHBondContact O-N 2.91Å; G214-N216 VanDerWaalsContact C-N 3.34Å; N216-Y218 HydrophobicContact CB-CE1 4.11Å; N216-Y218 HydrophobicContact CB-CE2 3.74Å; N216-Y218 WeakPolarHBondContact CB-OH 3.38Å; N216-Y218 PolarHBondContact ND2-OH 3.39Å |
| 217 | S | 82 | Confident | 75.3 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.2 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | I251 | S217-I251 WeakPolarHBondContact O-CD1 3.39Å |
| 218 | Y | 83.4 | Confident | 76.7 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 149.3 | -179.9 | -45.3 | -76.6 | 0 | 0 | 0 | 110.2 | M210 V211 N216 M224 R249 | M210-Y218 WeakPolarHBondContact CA-O 3.44Å; V211-Y218 PolarHBondContact N-O 3.11Å; V211-Y218 PolarHBondContact O-N 2.83Å; N216-Y218 HydrophobicContact CB-CE1 4.11Å; N216-Y218 HydrophobicContact CB-CE2 3.74Å; N216-Y218 WeakPolarHBondContact CB-OH 3.38Å; N216-Y218 PolarHBondContact ND2-OH 3.39Å; Y218-M224 HydrophobicContact CD1-CB 3.44Å; Y218-M224 VanDerWaalsContact CD1-CB 3.44Å; Y218-M224 HydrophobicContact CD1-CG 4.39Å; Y218-M224 HydrophobicContact CE1-CB 3.73Å; Y218-M224 HydrophobicContact CE1-CE 4.12Å; Y218-M224 HydrophobicContact CE1-CG 4.44Å; Y218-M224 HydrophobicContact CG-CB 4.09Å; Y218-R249 HydrophobicContact CD1-CB 3.99Å; Y218-R249 HydrophobicContact CD1-CG 3.64Å; Y218-R249 HydrophobicContact CE1-CG 3.86Å |
| 219 | G | 80.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 140.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G221 T222 H225 R249 | G219-G221 PolarHBondContact O-N 2.84Å; G219-T222 WeakPolarHBondContact O-CB 3.43Å; G219-T222 WeakPolarHBondContact O-CG2 3.37Å; G219-T222 PolarHBondContact O-N 3.47Å; G219-T222 VanDerWaalsContact O-N 3.14Å; G219-T222 PolarHBondContact O-OG1 3.34Å; G219-H225 WeakPolarHBondContact O-CB 3.44Å; G219-R249 PolarHBondContact N-O 2.87Å |
| 220 | I | 78.1 | Confident | 78.5 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 136.2 | 175.7 | -71 | 178.8 | 0 | 0 | 0 | 109.5 | P195 A209 V211 T222 | P195-I220 HydrophobicContact CG-CB 4.49Å; P195-I220 HydrophobicContact CG-CG2 3.9Å; A209-I220 HydrophobicContact CB-CB 4.28Å; A209-I220 HydrophobicContact CB-CD1 3.47Å; A209-I220 VanDerWaalsContact CB-CD1 3.47Å; A209-I220 HydrophobicContact CB-CG1 4.11Å; A209-I220 WeakPolarHBondContact O-CB 3.39Å; A209-I220 WeakPolarHBondContact O-CG1 3.33Å; A209-I220 PolarHBondContact O-N 2.83Å; V211-I220 HydrophobicContact CB-CG1 4.41Å; V211-I220 HydrophobicContact CG2-CD1 3.86Å; V211-I220 HydrophobicContact CG2-CG1 3.49Å; V211-I220 VanDerWaalsContact CG2-CG1 3.49Å; I220-T222 PolarHBondContact O-N 2.89Å |
| 221 | G | 75 | Confident | 78.8 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -5.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H182 G219 H225 F226 | H182-G221 PolarHBondContact CE1-O 2.82Å; H182-G221 PolarHBondContact NE2-O 2.82Å; G219-G221 PolarHBondContact O-N 2.84Å; G221-H225 PolarHBondContact N-ND1 3.18Å; G221-F226 WeakPolarHBondContact O-CD2 3.29Å; G221-F226 WeakPolarHBondContact O-CE2 3.17Å |
| 222 | T | 82.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -66.9 | 156.5 | 178.2 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | G173 G219 I220 M224 H225 F226 G248 | G173-T222 VanDerWaalsContact O-CG2 3.26Å; G173-T222 WeakPolarHBondContact O-CG2 3.43Å; G219-T222 WeakPolarHBondContact O-CB 3.43Å; G219-T222 WeakPolarHBondContact O-CG2 3.37Å; G219-T222 PolarHBondContact O-N 3.47Å; G219-T222 VanDerWaalsContact O-N 3.14Å; G219-T222 PolarHBondContact O-OG1 3.34Å; I220-T222 PolarHBondContact O-N 2.89Å; T222-M224 PolarHBondContact O-N 3.12Å; T222-H225 WeakPolarHBondContact O-CA 3.39Å; T222-H225 WeakPolarHBondContact O-CB 3.46Å; T222-H225 PolarHBondContact O-N 2.84Å; T222-H225 WeakPolarHBondContact OG1-CB 3.38Å; T222-H225 PolarHBondContact OG1-N 3.04Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 3.48Å; T222-G248 WeakPolarHBondContact CB-O 3.47Å | ||
| 223 | P | 81.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -52.7 | -39.8 | 175.1 | -28.6 | 35.5 | 0 | 0 | 0 | 113.1 | T174 M176 P183 H225 F226 M227 L242 | T174-P223 WeakPolarHBondContact O-CD 3.1Å; M176-P223 HydrophobicContact CE-CG 4.33Å; M176-P223 HydrophobicContact CG-CG 4.24Å; M176-P223 HydrophobicContact SD-CG 3.64Å; P183-P223 HydrophobicContact CG-CG 4.38Å; P223-H225 PolarHBondContact O-N 3.39Å; P223-F226 PolarHBondContact O-N 3.5Å; P223-M227 WeakPolarHBondContact O-CB 3.48Å; P223-M227 VanDerWaalsContact O-CG 3.28Å; P223-M227 WeakPolarHBondContact O-CG 3.21Å; P223-M227 PolarHBondContact O-N 3.48Å; P223-L242 HydrophobicContact CB-CD2 3.57Å; P223-L242 HydrophobicContact CG-CD2 3.75Å |
| 224 | M | 84.3 | Confident | 78.5 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 21% | 0.207 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69 | -32.5 | 176.8 | -66.1 | -58.3 | -61.9 | 0 | 0 | 113 | Y218 T222 M227 S228 H247 G248 R249 | Y218-M224 HydrophobicContact CD1-CB 3.44Å; Y218-M224 VanDerWaalsContact CD1-CB 3.44Å; Y218-M224 HydrophobicContact CD1-CG 4.39Å; Y218-M224 HydrophobicContact CE1-CB 3.73Å; Y218-M224 HydrophobicContact CE1-CE 4.12Å; Y218-M224 HydrophobicContact CE1-CG 4.44Å; Y218-M224 HydrophobicContact CG-CB 4.09Å; T222-M224 PolarHBondContact O-N 3.12Å; M224-M227 HydrophobicContact SD-CE 4.46Å; M224-M227 HydrophobicContact SD-SD 3.8Å; M224-S228 WeakPolarHBondContact O-CB 3.47Å; M224-S228 PolarHBondContact O-N 3.48Å; M224-S228 PolarHBondContact O-OG 3.11Å; M224-H247 WeakPolarHBondContact CG-O 2.97Å; M224-G248 WeakPolarHBondContact CG-O 3.31Å; M224-R249 HydrophobicContact CB-CG 4.43Å; M224-R249 HydrophobicContact CG-CG 4.14Å |
| 225 | H | 83.3 | Confident | 78.2 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.06 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 171.1 | 169.5 | -119 | 0 | 0 | 0 | 111.3 | G219 G221 T222 P223 S228 K229 | G219-H225 WeakPolarHBondContact O-CB 3.44Å; G221-H225 PolarHBondContact N-ND1 3.18Å; T222-H225 WeakPolarHBondContact O-CA 3.39Å; T222-H225 WeakPolarHBondContact O-CB 3.46Å; T222-H225 PolarHBondContact O-N 2.84Å; T222-H225 WeakPolarHBondContact OG1-CB 3.38Å; T222-H225 PolarHBondContact OG1-N 3.04Å; P223-H225 PolarHBondContact O-N 3.39Å; H225-S228 PolarHBondContact O-N 3.09Å; H225-S228 PolarHBondContact O-OG 2.86Å; H225-K229 WeakPolarHBondContact NE2-CE 3.43Å; H225-K229 PolarHBondContact O-N 3.19Å |
| 226 | F | 79.5 | Confident | 78.2 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.1 | -76 | -69.8 | 0 | 0 | 0 | 112.7 | G221 T222 P223 S228 K229 T230 P234 | G221-F226 WeakPolarHBondContact O-CD2 3.29Å; G221-F226 WeakPolarHBondContact O-CE2 3.17Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 3.48Å; P223-F226 PolarHBondContact O-N 3.5Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.03Å; F226-K229 PolarHBondContact O-N 2.77Å; F226-T230 PolarHBondContact O-N 3.26Å; F226-T230 PolarHBondContact O-OG1 2.98Å; F226-P234 HydrophobicContact CB-CG 4.22Å |
| 227 | M | 81.8 | Confident | 78 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 30% | 0.3 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 174.1 | -74.5 | 175.4 | 71.5 | 0 | 0 | 111.9 | P223 M224 K229 T230 G231 P233 | P223-M227 WeakPolarHBondContact O-CB 3.48Å; P223-M227 VanDerWaalsContact O-CG 3.28Å; P223-M227 WeakPolarHBondContact O-CG 3.21Å; P223-M227 PolarHBondContact O-N 3.48Å; M224-M227 HydrophobicContact SD-CE 4.46Å; M224-M227 HydrophobicContact SD-SD 3.8Å; M227-K229 PolarHBondContact O-N 3.16Å; M227-T230 PolarHBondContact O-N 3.23Å; M227-G231 WeakPolarHBondContact O-CA 3.31Å; M227-G231 PolarHBondContact O-N 3.3Å; M227-P233 HydrophobicContact CE-CB 4.35Å; M227-P233 HydrophobicContact CG-CB 4.39Å; M227-P233 HydrophobicContact SD-CB 4.25Å |
| 228 | S | 82.6 | Confident | 77.8 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.5 | -29 | 179.6 | 74 | 0 | 0 | 0 | 0 | 113.3 | M224 H225 F226 | M224-S228 WeakPolarHBondContact O-CB 3.47Å; M224-S228 PolarHBondContact O-N 3.48Å; M224-S228 PolarHBondContact O-OG 3.11Å; H225-S228 PolarHBondContact O-N 3.09Å; H225-S228 PolarHBondContact O-OG 2.86Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.03Å |
| 229 | K | 80.3 | Confident | 77.5 | Confident | 151 Ų | 151 | 54.9 Ų | 54.9 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -86.6 | -36.8 | 177.6 | -75.4 | -163.9 | 173.3 | -170.5 | 0 | 114.2 | H225 F226 M227 | H225-K229 WeakPolarHBondContact NE2-CE 3.43Å; H225-K229 PolarHBondContact O-N 3.19Å; F226-K229 PolarHBondContact O-N 2.77Å; M227-K229 PolarHBondContact O-N 3.16Å |
| 230 | T | 80.3 | Confident | 77.7 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -102.2 | -14.8 | -170.5 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | F226 M227 V232 | F226-T230 PolarHBondContact O-N 3.26Å; F226-T230 PolarHBondContact O-OG1 2.98Å; M227-T230 PolarHBondContact O-N 3.23Å; T230-V232 PolarHBondContact O-N 3.36Å; T230-V232 PolarHBondContact OG1-O 3.31Å; T230-V232 VanDerWaalsContact OG1-O 3.07Å |
| 231 | G | 77.7 | Confident | 78 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 71% | 0.711 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 73.1 | -4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M227 | M227-G231 WeakPolarHBondContact O-CA 3.31Å; M227-G231 PolarHBondContact O-N 3.3Å |
| 232 | V | 75.3 | Confident | 78.7 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -128.3 | 146.5 | -177.7 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | T230 | T230-V232 PolarHBondContact O-N 3.36Å; T230-V232 PolarHBondContact OG1-O 3.31Å; T230-V232 VanDerWaalsContact OG1-O 3.07Å |
| 233 | P | 67.3 | Low | 78.9 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 145.9 | 172.8 | 27.3 | -33 | 0 | 0 | 0 | 110.9 | M227 | M227-P233 HydrophobicContact CE-CB 4.35Å; M227-P233 HydrophobicContact CG-CB 4.39Å; M227-P233 HydrophobicContact SD-CB 4.25Å |
| 234 | P | 69.4 | Low | 79.3 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 10% | 0.104 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 136.6 | 171.9 | -25 | 33.3 | 0 | 0 | 0 | 111 | P183 F226 G236 I237 | P183-P234 HydrophobicContact CB-CB 3.99Å; P183-P234 HydrophobicContact CB-CG 4.41Å; P183-P234 HydrophobicContact CG-CB 4.36Å; P183-P234 HydrophobicContact CG-CG 4.31Å; F226-P234 HydrophobicContact CB-CG 4.22Å; P234-G236 PolarHBondContact O-N 2.9Å; P234-I237 HydrophobicContact CB-CD1 4.09Å; P234-I237 PolarHBondContact O-N 2.94Å |
| 235 | P | 68.8 | Low | 79.5 | Confident | 133 Ų | 133 | 69.6 Ų | 69.6 | 86% | 0.864 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 132.2 | -179.1 | -24.2 | 32.6 | 0 | 0 | 0 | 111.8 | ||
| 236 | G | 70.4 | Confident | 79.8 | Confident | 85 Ų | 85 | 69 Ų | 69 | 88% | 0.876 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 10 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P234 | P234-G236 PolarHBondContact O-N 2.9Š|
| 237 | I | 74.9 | Confident | 80.2 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 15% | 0.154 | 42% | 0.424 | C | S | . | . | trans | -114.2 | 119.8 | 175.6 | -66 | -176.2 | 0 | 0 | 0 | 110 | M176 P183 P234 D241 L242 | M176-I237 HydrophobicContact CE-CG2 4.3Å; M176-I237 HydrophobicContact SD-CD1 4.15Å; P183-I237 HydrophobicContact CB-CD1 3.52Å; P183-I237 VanDerWaalsContact CD-CD1 3.44Å; P183-I237 HydrophobicContact CG-CD1 3.37Å; P234-I237 HydrophobicContact CB-CD1 4.09Å; P234-I237 PolarHBondContact O-N 2.94Å; I237-D241 HydrophobicContact CG2-CB 3.99Å; I237-L242 HydrophobicContact CG2-CD2 4.23Å | ||
| 238 | G | 77.1 | Confident | 80.4 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | trans | -92 | 169.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H240 D241 | G238-H240 PolarHBondContact O-N 3.46Å; G238-D241 PolarHBondContact N-OD2 3.12Å; G238-D241 WeakPolarHBondContact O-CB 3.25Å; G238-D241 PolarHBondContact O-N 3.44Å; G238-D241 VanDerWaalsContact O-N 3.12Å | ||
| 239 | T | 78.3 | Confident | 80.7 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.7 | 173.3 | 52.8 | 0 | 0 | 0 | 0 | 113 | D241 L242 | T239-D241 VanDerWaalsContact C-N 3.3Å; T239-L242 PolarHBondContact O-N 2.93Å |
| 240 | H | 82.8 | Confident | 80.8 | Confident | 139 Ų | 139 | 65 Ų | 65 | 64% | 0.644 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -17.1 | 177.4 | 61.3 | -88.9 | 0 | 0 | 0 | 114 | G238 | G238-H240 PolarHBondContact O-N 3.46Š|
| 241 | D | 85.9 | Confident | 81.1 | Confident | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.15 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -18.6 | 177.3 | -64.8 | -44.1 | 0 | 0 | 0 | 112.1 | M176 K177 V180 I237 G238 T239 | M176-D241 HydrophobicContact CE-CB 3.88Å; M176-D241 WeakPolarHBondContact CE-O 3.47Å; K177-D241 WeakPolarHBondContact CB-O 2.92Å; K177-D241 PolarHBondContact N-O 3.28Å; V180-D241 HydrophobicContact CG1-CB 4.12Å; V180-D241 HydrophobicContact CG2-CB 4.47Å; I237-D241 HydrophobicContact CG2-CB 3.99Å; G238-D241 PolarHBondContact N-OD2 3.12Å; G238-D241 WeakPolarHBondContact O-CB 3.25Å; G238-D241 PolarHBondContact O-N 3.44Å; G238-D241 VanDerWaalsContact O-N 3.12Å; T239-D241 VanDerWaalsContact C-N 3.3Å |
| 242 | L | 88.1 | Confident | 81.5 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 149.1 | 179.3 | -56.5 | -178.3 | 0 | 0 | 0 | 111 | M176 P223 I237 T239 Y244 | M176-L242 HydrophobicContact CE-CD2 4.33Å; P223-L242 HydrophobicContact CB-CD2 3.57Å; P223-L242 HydrophobicContact CG-CD2 3.75Å; I237-L242 HydrophobicContact CG2-CD2 4.23Å; T239-L242 PolarHBondContact O-N 2.93Å; L242-Y244 PolarHBondContact O-N 3.47Å |
| 243 | C | 88.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -58 | 114.2 | 170.3 | 173.1 | 0 | 0 | 0 | 0 | 109.5 | C171 G175 M245 C246 H247 | C171-C243 HydrophobicContact CB-CB 3.76Å; G175-C243 VanDerWaalsContact O-CB 3.28Å; G175-C243 WeakPolarHBondContact O-CB 3.22Å; G175-C243 PolarHBondContact O-N 3Å; C243-M245 PolarHBondContact O-N 2.91Å; C243-M245 VanDerWaalsContact O-N 3.16Å; C243-C246 VanDerWaalsContact CB-SG 3.55Å; C243-C246 PolarHBondContact O-N 2.81Å; C243-C246 PolarHBondContact SG-SG 2.83Å; C243-H247 VanDerWaalsContact O-CA 3.23Å; C243-H247 WeakPolarHBondContact O-CA 3.41Å; C243-H247 PolarHBondContact O-N 2.77Å | ||
| 244 | Y | 89.2 | Confident | 83 | Confident | 138 Ų | 138 | 59.4 Ų | 59.4 | 54% | 0.541 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.8 | -179.1 | 76.9 | -87.9 | 0 | 0 | 0 | 112.8 | F170 L242 H247 | F170-Y244 HydrophobicContact CD1-CD1 4.45Å; F170-Y244 HydrophobicContact CD1-CE1 4.05Å; F170-Y244 HydrophobicContact CD2-CE1 4.27Å; F170-Y244 AromaticContact CE1-CD1 3.95Å; F170-Y244 HydrophobicContact CE1-CD1 3.95Å; F170-Y244 AromaticContact CE1-CE1 3.5Å; F170-Y244 HydrophobicContact CE1-CE1 3.5Å; F170-Y244 AromaticContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CG-CE1 4.42Å; F170-Y244 HydrophobicContact CZ-CD1 4.23Å; F170-Y244 AromaticContact CZ-CE1 3.37Å; F170-Y244 HydrophobicContact CZ-CE1 3.37Å; L242-Y244 PolarHBondContact O-N 3.47Å; Y244-H247 PolarHBondContact O-CE1 3.39Å; Y244-H247 PolarHBondContact O-ND1 3.31Å |
| 245 | M | 88.9 | Confident | 83.9 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 40% | 0.404 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -27.8 | -177.8 | -76.1 | -58.6 | -102.9 | 0 | 0 | 114.2 | F170 C243 K252 | F170-M245 HydrophobicContact CB-CB 4.02Å; F170-M245 HydrophobicContact CB-CG 3.93Å; F170-M245 HydrophobicContact CD1-CG 4.35Å; F170-M245 HydrophobicContact CD2-CG 4.22Å; F170-M245 HydrophobicContact CG-CB 4.33Å; F170-M245 HydrophobicContact CG-CG 3.89Å; C243-M245 PolarHBondContact O-N 2.91Å; C243-M245 VanDerWaalsContact O-N 3.16Å; M245-K252 WeakPolarHBondContact O-CE 3.28Å |
| 246 | C | 88.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 4.6 | -179.9 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | C168 C171 C243 G248 R249 G250 I251 K252 | C168-C246 HydrophobicContact CB-CB 4.02Å; C171-C246 VanDerWaalsContact SG-SG 3.62Å; C243-C246 VanDerWaalsContact CB-SG 3.55Å; C243-C246 PolarHBondContact O-N 2.81Å; C243-C246 PolarHBondContact SG-SG 2.83Å; C246-G248 VanDerWaalsContact C-N 3.28Å; C246-G248 PolarHBondContact O-N 2.78Å; C246-R249 VanDerWaalsContact O-CB 3.29Å; C246-R249 WeakPolarHBondContact O-CB 2.95Å; C246-R249 VanDerWaalsContact O-CG 3.27Å; C246-R249 WeakPolarHBondContact O-CG 3.23Å; C246-R249 PolarHBondContact O-N 3.19Å; C246-G250 PolarHBondContact SG-N 3.34Å; C246-I251 WeakPolarHBondContact CB-O 3.24Å; C246-K252 HydrophobicContact CB-CG 4.43Å |
| 247 | H | 89.4 | Confident | 85.5 | Confident | 130 Ų | 130 | 60.9 Ų | 60.9 | 60% | 0.602 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 48.7 | -177 | -54.2 | -69.4 | 0 | 0 | 0 | 112.6 | M224 C243 Y244 R249 | M224-H247 WeakPolarHBondContact CG-O 2.97Å; C243-H247 VanDerWaalsContact O-CA 3.23Å; C243-H247 WeakPolarHBondContact O-CA 3.41Å; C243-H247 PolarHBondContact O-N 2.77Å; Y244-H247 PolarHBondContact O-CE1 3.39Å; Y244-H247 PolarHBondContact O-ND1 3.31Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 2.84Å |
| 248 | G | 85.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -5.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G175 T222 M224 C246 | G175-G248 VanDerWaalsContact O-CA 3.31Å; G175-G248 WeakPolarHBondContact O-CA 3.32Å; T222-G248 WeakPolarHBondContact CB-O 3.47Å; M224-G248 WeakPolarHBondContact CG-O 3.31Å; C246-G248 VanDerWaalsContact C-N 3.28Å; C246-G248 PolarHBondContact O-N 2.78Å |
| 249 | R | 87.4 | Confident | 86.6 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | trans | -77.4 | -19.7 | -176 | -58.9 | -166.6 | -74.6 | -167.5 | -2.5 | 114.6 | Y218 G219 M224 C246 H247 I251 | Y218-R249 HydrophobicContact CD1-CB 3.99Å; Y218-R249 HydrophobicContact CD1-CG 3.64Å; Y218-R249 HydrophobicContact CE1-CG 3.86Å; G219-R249 PolarHBondContact N-O 2.87Å; M224-R249 HydrophobicContact CB-CG 4.43Å; M224-R249 HydrophobicContact CG-CG 4.14Å; C246-R249 VanDerWaalsContact O-CB 3.29Å; C246-R249 WeakPolarHBondContact O-CB 2.95Å; C246-R249 VanDerWaalsContact O-CG 3.27Å; C246-R249 WeakPolarHBondContact O-CG 3.23Å; C246-R249 PolarHBondContact O-N 3.19Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 2.84Å; R249-I251 HydrophobicContact CB-CG1 4.4Å; R249-I251 PolarHBondContact O-N 3.21Å | ||
| 250 | G | 84.2 | Confident | 87 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 70.4 | -8.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | C168 G173 C246 | C168-G250 WeakPolarHBondContact CB-O 3.03Å; C168-G250 PolarHBondContact N-O 3.24Å; G173-G250 WeakPolarHBondContact CA-O 3.39Å; C246-G250 PolarHBondContact SG-N 3.34Å |
| 251 | I | 86 | Confident | 87.1 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162.7 | -178.5 | 63.7 | 175.4 | 0 | 0 | 0 | 111 | T165 D166 M210 S217 C246 R249 | T165-I251 HydrophobicContact CG2-CD1 4.13Å; D166-I251 CarbonylContact O-C 3.5Å; D166-I251 WeakPolarHBondContact O-CA 3.47Å; M210-I251 HydrophobicContact CG-CG2 4.42Å; M210-I251 HydrophobicContact SD-CD1 3.67Å; M210-I251 HydrophobicContact SD-CG2 4Å; S217-I251 WeakPolarHBondContact O-CD1 3.39Å; C246-I251 WeakPolarHBondContact CB-O 3.24Å; R249-I251 HydrophobicContact CB-CG1 4.4Å; R249-I251 PolarHBondContact O-N 3.21Å |
| 252 | K | 86.6 | Confident | 87.3 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 27% | 0.274 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.8 | 174.8 | -71 | -174.2 | 166.2 | -169.3 | 0 | 109.9 | T165 D166 C168 M245 C246 C254 | T165-K252 CarbonylContact C-O 3.54Å; T165-K252 WeakPolarHBondContact CA-O 3.47Å; T165-K252 VanDerWaalsContact CB-O 3.23Å; T165-K252 WeakPolarHBondContact CB-O 3.37Å; D166-K252 PolarHBondContact N-O 2.76Å; D166-K252 PolarHBondContact O-N 3.48Å; C168-K252 HydrophobicContact CB-CG 4.36Å; M245-K252 WeakPolarHBondContact O-CE 3.28Å; C246-K252 HydrophobicContact CB-CG 4.43Å; K252-C254 PolarHBondContact O-N 3.29Å |
| 253 | E | 87.8 | Confident | 87.5 | Confident | 134 Ų | 134 | 64.6 Ų | 64.6 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 138.8 | 169.8 | -71.2 | 176.3 | -169.1 | 0 | 0 | 110.4 | H255 | E253-H255 PolarHBondContact O-N 3.24Å |
| 254 | C | 86 | Confident | 87.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -68.3 | 120.5 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | C160 G164 D166 K252 H256 C257 K258 G259 | C160-C254 HydrophobicContact CB-CB 3.67Å; G164-C254 WeakPolarHBondContact O-CB 3.46Å; G164-C254 PolarHBondContact O-N 3.04Å; D166-C254 VanDerWaalsContact OD2-CA 3.24Å; D166-C254 WeakPolarHBondContact OD2-CA 3.45Å; D166-C254 WeakPolarHBondContact OD2-CB 3.32Å; D166-C254 PolarHBondContact OD2-SG 3.04Å; K252-C254 PolarHBondContact O-N 3.29Å; C254-H256 PolarHBondContact O-N 3.27Å; C254-C257 VanDerWaalsContact CB-SG 3.55Å; C254-C257 PolarHBondContact O-N 3.05Å; C254-K258 VanDerWaalsContact O-CA 3.28Å; C254-K258 WeakPolarHBondContact O-CA 3.24Å; C254-K258 PolarHBondContact O-N 3.11Å; C254-G259 PolarHBondContact O-N 3.25Å | ||
| 255 | H | 86.9 | Confident | 88 | Confident | 161 Ų | 161 | 62.4 Ų | 62.4 | 75% | 0.745 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.9 | -178.2 | -177.6 | -96.8 | 0 | 0 | 0 | 111.9 | E253 | E253-H255 PolarHBondContact O-N 3.24Š|
| 256 | H | 87 | Confident | 88.1 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -36.9 | -176 | -68 | -77.5 | 0 | 0 | 0 | 113.5 | H159 C254 K263 | H159-H256 HydrophobicContact CB-CB 4.27Å; H159-H256 AromaticContact CD2-CD2 3.57Å; H159-H256 AromaticContact CD2-CG 3.36Å; H159-H256 AromaticContact CD2-ND1 3.69Å; H159-H256 AromaticContact CD2-NE2 4Å; H159-H256 AromaticContact CE1-CD2 3.95Å; H159-H256 AromaticContact CE1-CE1 3.65Å; H159-H256 AromaticContact CE1-NE2 3.62Å; H159-H256 AromaticContact CG-CD2 3.32Å; H159-H256 AromaticContact CG-CG 3.63Å; H159-H256 AromaticContact CG-NE2 3.76Å; H159-H256 AromaticContact ND1-CD2 3.59Å; H159-H256 AromaticContact ND1-NE2 3.52Å; H159-H256 AromaticContact NE2-CD2 3.96Å; H159-H256 AromaticContact NE2-CE1 3.66Å; H159-H256 AromaticContact NE2-CG 3.76Å; H159-H256 AromaticContact NE2-ND1 3.57Å; H159-H256 AromaticContact NE2-NE2 3.92Å; C254-H256 PolarHBondContact O-N 3.27Å; H256-K263 WeakPolarHBondContact O-CE 3.37Å; H256-K263 PolarHBondContact O-NZ 3.47Å |
| 257 | C | 87.7 | Confident | 88.3 | Confident | 17 Ų | 17 | 67 Ų | 67 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 5.9 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | C157 C254 G259 G260 G261 K263 | C157-C257 HydrophobicContact CB-CB 3.76Å; C254-C257 VanDerWaalsContact CB-SG 3.55Å; C254-C257 PolarHBondContact O-N 3.05Å; C257-G259 VanDerWaalsContact C-N 3.31Å; C257-G259 PolarHBondContact O-N 3.31Å; C257-G260 PolarHBondContact O-N 2.95Å; C257-G261 PolarHBondContact SG-N 3.3Å; C257-K263 HydrophobicContact CB-CG 4.17Å |
| 258 | K | 89.5 | Confident | 88.5 | Confident | 182 Ų | 182 | 60.8 Ų | 60.8 | 79% | 0.791 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 48.5 | -179.7 | -56 | -177.5 | 179.3 | -177.6 | 0 | 112.8 | C254 G260 | C254-K258 VanDerWaalsContact O-CA 3.28Å; C254-K258 WeakPolarHBondContact O-CA 3.24Å; C254-K258 PolarHBondContact O-N 3.11Å; K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.34Å |
| 259 | G | 84.9 | Confident | 88.9 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -20.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G164 C254 C257 G261 | G164-G259 WeakPolarHBondContact CA-O 3.49Å; G164-G259 VanDerWaalsContact O-CA 3.23Å; G164-G259 WeakPolarHBondContact O-CA 3.43Å; C254-G259 PolarHBondContact O-N 3.25Å; C257-G259 VanDerWaalsContact C-N 3.31Å; C257-G259 PolarHBondContact O-N 3.31Å; G259-G261 VanDerWaalsContact C-N 3.33Å; G259-G261 PolarHBondContact O-N 3.24Å |
| 260 | G | 85.5 | Confident | 89.1 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | trans | -72.5 | -17.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C257 K258 K262 | C257-G260 PolarHBondContact O-N 2.95Å; K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.34Å; G260-K262 PolarHBondContact O-N 3.49Å | ||
| 261 | G | 86.1 | Confident | 89.4 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 69.3 | -23 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C157 G162 G164 C257 G259 | C157-G261 WeakPolarHBondContact CB-O 3.33Å; C157-G261 PolarHBondContact N-O 3.04Å; G162-G261 VanDerWaalsContact CA-O 3.31Å; G162-G261 WeakPolarHBondContact CA-O 3.42Å; G164-G261 VanDerWaalsContact CA-CA 3.48Å; C257-G261 PolarHBondContact SG-N 3.3Å; G259-G261 VanDerWaalsContact C-N 3.33Å; G259-G261 PolarHBondContact O-N 3.24Å |
| 262 | K | 90.7 | Very high | 89.7 | Confident | 112 Ų | 112 | 65.2 Ų | 65.2 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 158.2 | 175.6 | -71.1 | 173.7 | 159.3 | -142.2 | 0 | 110.7 | D152 T154 I155 G260 | D152-K262 IonicContact OD1-NZ 2.87Å; D152-K262 IonicContact OD2-NZ 3.2Å; D152-K262 PolarHBondContact OD2-NZ 2.77Å; T154-K262 WeakPolarHBondContact OG1-CD 3.25Å; T154-K262 PolarHBondContact OG1-NZ 3.03Å; I155-K262 CarbonylContact O-C 3.57Å; I155-K262 WeakPolarHBondContact O-CA 3.32Å; G260-K262 PolarHBondContact O-N 3.49Å |
| 263 | K | 92.2 | Very high | 90 | Very high | 68 Ų | 68 | 63.4 Ų | 63.4 | 30% | 0.296 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.4 | 172.8 | -72 | -169.6 | 170 | -158.5 | 0 | 109.2 | T154 I155 C157 H256 C257 C265 | T154-K263 CarbonylContact C-O 3.52Å; T154-K263 WeakPolarHBondContact CA-O 3.3Å; T154-K263 WeakPolarHBondContact CB-O 3.25Å; I155-K263 PolarHBondContact N-O 2.84Å; I155-K263 PolarHBondContact O-N 2.9Å; C157-K263 HydrophobicContact CB-CG 4.27Å; H256-K263 WeakPolarHBondContact O-CE 3.37Å; H256-K263 PolarHBondContact O-NZ 3.47Å; C257-K263 HydrophobicContact CB-CG 4.17Å; K263-C265 PolarHBondContact O-N 3.03Å |
| 264 | P | 92.9 | Very high | 90.3 | Very high | 91 Ų | 91 | 57.6 Ų | 57.6 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 136 | 170.7 | 25.9 | -33.9 | 0 | 0 | 0 | 109.3 | T266 | P264-T266 PolarHBondContact O-N 3.27Å |
| 265 | C | 93.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | trans | -62.9 | 128.3 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | C149 G153 I155 K263 S267 C268 S269 G270 | C149-C265 HydrophobicContact CB-CB 3.84Å; G153-C265 VanDerWaalsContact O-CB 3.29Å; G153-C265 WeakPolarHBondContact O-CB 3.37Å; G153-C265 PolarHBondContact O-N 3.3Å; I155-C265 HydrophobicContact CG2-CB 4.05Å; K263-C265 PolarHBondContact O-N 3.03Å; C265-S267 VanDerWaalsContact C-N 3.34Å; C265-C268 WeakPolarHBondContact CB-SG 3.42Å; C265-C268 VanDerWaalsContact SG-SG 3.61Å; C265-S269 CarbonylContact O-C 3.54Å; C265-S269 WeakPolarHBondContact O-CA 3.47Å; C265-S269 PolarHBondContact O-N 3.33Å; C265-G270 PolarHBondContact O-N 3.22Å; C265-G270 VanDerWaalsContact O-N 3.13Å | ||
| 266 | T | 92.6 | Very high | 90.8 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -26.8 | -178.6 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | P264 | P264-T266 PolarHBondContact O-N 3.27Š|
| 267 | S | 92 | Very high | 90.9 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 43% | 0.427 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -35.1 | -179.7 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | C265 | C265-S267 VanDerWaalsContact C-N 3.34Š|
| 268 | C | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 8.1 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | C146 C265 G270 T271 G272 S273 V274 | C146-C268 HydrophobicContact CB-CB 3.84Å; C265-C268 WeakPolarHBondContact CB-SG 3.42Å; C265-C268 VanDerWaalsContact SG-SG 3.61Å; C268-G270 PolarHBondContact O-N 2.85Å; C268-G270 VanDerWaalsContact O-N 3.1Å; C268-T271 WeakPolarHBondContact O-CG2 3.22Å; C268-T271 PolarHBondContact O-N 3.46Å; C268-T271 PolarHBondContact O-OG1 2.81Å; C268-G272 PolarHBondContact SG-N 3.4Å; C268-S273 VanDerWaalsContact CB-O 3.27Å; C268-S273 WeakPolarHBondContact CB-O 3.49Å; C268-V274 HydrophobicContact CB-CG1 3.89Å |
| 269 | S | 92.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 60% | 0.601 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 35.1 | -178 | -59.1 | 0 | 0 | 0 | 0 | 114.5 | C265 | C265-S269 CarbonylContact O-C 3.54Å; C265-S269 WeakPolarHBondContact O-CA 3.47Å; C265-S269 PolarHBondContact O-N 3.33Å |
| 270 | G | 92.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -10.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | G153 C265 C268 | G153-G270 WeakPolarHBondContact CA-O 3.23Å; G153-G270 VanDerWaalsContact O-CA 3.23Å; G153-G270 WeakPolarHBondContact O-CA 3.42Å; C265-G270 PolarHBondContact O-N 3.22Å; C265-G270 VanDerWaalsContact O-N 3.13Å; C268-G270 PolarHBondContact O-N 2.85Å; C268-G270 VanDerWaalsContact O-N 3.1Å |
| 271 | T | 91.8 | Very high | 92 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 37% | 0.368 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -83.1 | -19.4 | -169.2 | 66.8 | 0 | 0 | 0 | 0 | 114.5 | C268 S273 | C268-T271 WeakPolarHBondContact O-CG2 3.22Å; C268-T271 PolarHBondContact O-N 3.46Å; C268-T271 PolarHBondContact O-OG1 2.81Å; T271-S273 PolarHBondContact O-N 3.24Å; T271-S273 PolarHBondContact OG1-N 3.01Å; T271-S273 PolarHBondContact OG1-O 2.89Å |
| 272 | G | 92.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 78.4 | -2.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C146 S151 C268 | C146-G272 WeakPolarHBondContact CB-O 2.98Å; C146-G272 PolarHBondContact N-O 2.9Å; S151-G272 WeakPolarHBondContact CA-O 3.4Å; C268-G272 PolarHBondContact SG-N 3.4Å |
| 273 | S | 92.6 | Very high | 92.6 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145 | -177.2 | -58 | 0 | 0 | 0 | 0 | 111.8 | A96 N144 C268 T271 | A96-S273 WeakPolarHBondContact CB-O 2.89Å; A96-S273 PolarHBondContact N-O 3.33Å; A96-S273 VanDerWaalsContact N-O 3.11Å; N144-S273 WeakPolarHBondContact O-CA 3.17Å; C268-S273 VanDerWaalsContact CB-O 3.27Å; C268-S273 WeakPolarHBondContact CB-O 3.49Å; T271-S273 PolarHBondContact O-N 3.24Å; T271-S273 PolarHBondContact OG1-N 3.01Å; T271-S273 PolarHBondContact OG1-O 2.89Å |
| 274 | V | 93.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149 | 174.8 | -64.3 | 0 | 0 | 0 | 0 | 109.4 | T93 E94 I143 N144 C146 C268 | T93-V274 HydrophobicContact CG2-CB 3.72Å; T93-V274 HydrophobicContact CG2-CG1 4.19Å; T93-V274 HydrophobicContact CG2-CG2 3.96Å; E94-V274 CarbonylContact O-C 3.53Å; E94-V274 VanDerWaalsContact O-CA 3.3Å; E94-V274 WeakPolarHBondContact O-CA 3.07Å; E94-V274 WeakPolarHBondContact O-CB 3.46Å; I143-V274 WeakPolarHBondContact CA-O 3.31Å; N144-V274 HydrophobicContact CB-CG2 4.4Å; N144-V274 PolarHBondContact N-O 3.33Å; N144-V274 PolarHBondContact O-N 3.05Å; C146-V274 HydrophobicContact CB-CG1 4.05Å; C268-V274 HydrophobicContact CB-CG1 3.89Å |
| 275 | R | 91.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 19% | 0.185 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119 | 173.8 | -178.9 | -178 | 178.1 | -136.7 | 0.4 | 108 | T93 E94 E136 S141 Q142 Y277 | T93-R275 WeakPolarHBondContact CA-O 3.27Å; E94-R275 HydrophobicContact CG-CB 4.05Å; E94-R275 PolarHBondContact N-O 2.88Å; E94-R275 PolarHBondContact O-N 3.09Å; E94-R275 IonicContact OE1-CZ 3.89Å; E94-R275 IonicContact OE1-NH1 3.26Å; E94-R275 PolarHBondContact OE1-NH1 3.21Å; E136-R275 IonicContact OE1-CZ 2.63Å; E136-R275 IonicContact OE1-NH2 2.78Å; E136-R275 PolarHBondContact OE1-NH2 3.32Å; E136-R275 IonicContact OE2-CZ 2.68Å; E136-R275 IonicContact OE2-NH1 3.92Å; E136-R275 PolarHBondContact OE2-NH1 3Å; E136-R275 IonicContact OE2-NH2 2.91Å; E136-R275 PolarHBondContact OE2-NH2 2.94Å; S141-R275 PolarHBondContact OG-NE 3.27Å; S141-R275 PolarHBondContact OG-NH2 2.78Å; Q142-R275 WeakPolarHBondContact O-CA 3.45Å; R275-Y277 HydrophobicContact CG-CD1 4.47Å |
| 276 | N | 90.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.8 | 172 | -66.9 | -10.9 | 0 | 0 | 0 | 108.9 | A92 T93 S141 Q142 N144 | A92-N276 CarbonylContact O-C 3.57Å; A92-N276 VanDerWaalsContact O-CA 3.3Å; A92-N276 WeakPolarHBondContact O-CA 3.49Å; T93-N276 WeakPolarHBondContact CB-OD1 3.47Å; T93-N276 WeakPolarHBondContact CG2-OD1 3.44Å; T93-N276 PolarHBondContact OG1-OD1 3.41Å; S141-N276 CarbonylContact C-O 3.56Å; S141-N276 WeakPolarHBondContact CA-O 3.32Å; Q142-N276 PolarHBondContact N-O 3.06Å; Q142-N276 PolarHBondContact O-N 2.81Å; N144-N276 PolarHBondContact ND2-ND2 2.89Å; N144-N276 VanDerWaalsContact ND2-ND2 3.14Å |
| 277 | Y | 89.9 | Confident | 93 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 158.2 | 176.1 | 59.7 | -88.4 | 0 | 0 | 0 | 110.5 | A92 E94 E136 R275 R279 | A92-Y277 HydrophobicContact CB-CD1 4.49Å; A92-Y277 HydrophobicContact CB-CD2 4.1Å; A92-Y277 HydrophobicContact CB-CE1 4.05Å; A92-Y277 HydrophobicContact CB-CE2 3.63Å; A92-Y277 PolarHBondContact N-O 3.31Å; A92-Y277 PolarHBondContact O-N 3.18Å; E94-Y277 HydrophobicContact CG-CE1 3.93Å; E94-Y277 PolarHBondContact OE2-OH 3.44Å; E136-Y277 HydrophobicContact CB-CD2 4.05Å; E136-Y277 HydrophobicContact CB-CE2 4.36Å; E136-Y277 HydrophobicContact CG-CD2 3.66Å; E136-Y277 HydrophobicContact CG-CE2 4.42Å; E136-Y277 HydrophobicContact CG-CG 4.05Å; R275-Y277 HydrophobicContact CG-CD1 4.47Å; Y277-R279 HydrophobicContact CE2-CB 4.5Å; Y277-R279 PolarHBondContact OH-NH2 2.74Å |
| 278 | T | 90.1 | Very high | 93.2 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.2 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | T89 M137 S140 | T89-T278 HydrophobicContact CG2-CG2 4.09Å; M137-T278 WeakPolarHBondContact CB-O 3.18Å; M137-T278 HydrophobicContact CE-CG2 3.46Å; M137-T278 VanDerWaalsContact CE-CG2 3.46Å; M137-T278 PolarHBondContact N-O 2.88Å; M137-T278 HydrophobicContact SD-CG2 4.33Å; S140-T278 PolarHBondContact OG-N 3.22Å |
| 279 | R | 92.8 | Very high | 93.3 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.1 | 173.5 | -177.1 | 179.2 | -70 | 171.6 | 1.9 | 109.4 | T89 S90 A92 V134 Y277 | T89-R279 WeakPolarHBondContact CA-O 3.39Å; S90-R279 PolarHBondContact N-O 3.03Å; S90-R279 WeakPolarHBondContact O-CB 3.48Å; S90-R279 PolarHBondContact O-N 3.07Å; A92-R279 HydrophobicContact CB-CB 4.45Å; V134-R279 HydrophobicContact CG1-CG 3.51Å; Y277-R279 HydrophobicContact CE2-CB 4.5Å; Y277-R279 PolarHBondContact OH-NH2 2.74Å |
| 280 | I | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.4 | 171.5 | -61.3 | 170.2 | 0 | 0 | 0 | 108.2 | T89 P117 F120 V134 F135 M137 V282 | T89-I280 HydrophobicContact CG2-CG1 4.19Å; P117-I280 HydrophobicContact CB-CD1 4.18Å; P117-I280 HydrophobicContact CB-CG1 4.39Å; F120-I280 HydrophobicContact CD2-CD1 3.96Å; F120-I280 HydrophobicContact CE2-CD1 4.22Å; V134-I280 WeakPolarHBondContact CA-O 3.37Å; F135-I280 HydrophobicContact CD1-CB 4.26Å; F135-I280 HydrophobicContact CD1-CG2 4.44Å; F135-I280 HydrophobicContact CE1-CB 3.8Å; F135-I280 HydrophobicContact CE1-CD1 4.48Å; F135-I280 HydrophobicContact CE1-CG2 3.63Å; F135-I280 HydrophobicContact CE2-CB 4.29Å; F135-I280 HydrophobicContact CE2-CD1 3.74Å; F135-I280 HydrophobicContact CZ-CB 3.82Å; F135-I280 HydrophobicContact CZ-CD1 3.64Å; F135-I280 HydrophobicContact CZ-CG1 4.33Å; F135-I280 HydrophobicContact CZ-CG2 3.8Å; F135-I280 PolarHBondContact N-O 3.17Å; F135-I280 PolarHBondContact O-N 3.19Å; M137-I280 HydrophobicContact CB-CD1 3.76Å; M137-I280 HydrophobicContact CB-CG1 4.07Å; M137-I280 HydrophobicContact CE-CD1 3.71Å; M137-I280 HydrophobicContact CE-CG1 3.79Å; M137-I280 HydrophobicContact CG-CD1 3.87Å; I280-V282 HydrophobicContact CG2-CG2 3.96Å |
| 281 | K | 94.8 | Very high | 93.6 | Very high | 77 Ų | 77 | 38.2 Ų | 38.2 | 34% | 0.335 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.9 | 171.8 | -171.3 | 162.1 | 177.2 | -164.5 | 0 | 109.1 | R87 S88 V132 R133 V134 Y283 | R87-K281 WeakPolarHBondContact CA-O 3.29Å; S88-K281 PolarHBondContact N-O 2.66Å; S88-K281 PolarHBondContact O-N 2.81Å; V132-K281 HydrophobicContact CG1-CD 4.16Å; V132-K281 VanDerWaalsContact CG1-CE 3.42Å; V132-K281 HydrophobicContact CG1-CG 3.71Å; R133-K281 CarbonylContact O-C 3.42Å; R133-K281 WeakPolarHBondContact O-CA 3.32Å; V134-K281 HydrophobicContact CG2-CB 4.4Å; V134-K281 HydrophobicContact CG2-CD 4.08Å; V134-K281 HydrophobicContact CG2-CG 3.9Å; K281-Y283 HydrophobicContact CB-CE2 4.18Å; K281-Y283 HydrophobicContact CD-CE1 4.18Å; K281-Y283 HydrophobicContact CD-CE2 4.43Å; K281-Y283 VanDerWaalsContact CD-OH 3.24Å; K281-Y283 WeakPolarHBondContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CE-OH 3.46Å; K281-Y283 HydrophobicContact CG-CE1 4.11Å; K281-Y283 HydrophobicContact CG-CE2 3.87Å |
| 282 | V | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.4 | -179.8 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | E85 A86 R87 V122 V132 R133 F135 I280 F284 | E85-V282 HydrophobicContact CG-CG1 3.51Å; E85-V282 WeakPolarHBondContact OE1-CG1 3.1Å; A86-V282 WeakPolarHBondContact O-CA 3.24Å; R87-V282 HydrophobicContact CG-CB 4.46Å; R87-V282 HydrophobicContact CG-CG1 4.22Å; R87-V282 HydrophobicContact CG-CG2 4.07Å; V122-V282 HydrophobicContact CB-CG2 4.39Å; V122-V282 HydrophobicContact CG1-CG2 4.29Å; V122-V282 HydrophobicContact CG2-CG2 4.15Å; V132-V282 WeakPolarHBondContact CA-O 3.23Å; R133-V282 PolarHBondContact N-O 3.3Å; R133-V282 PolarHBondContact O-N 2.73Å; F135-V282 HydrophobicContact CD1-CG2 4.45Å; F135-V282 HydrophobicContact CE1-CG2 3.7Å; I280-V282 HydrophobicContact CG2-CG2 3.96Å; V282-F284 HydrophobicContact CB-CE2 4.19Å; V282-F284 HydrophobicContact CG1-CD2 4.13Å; V282-F284 HydrophobicContact CG1-CE1 4.25Å; V282-F284 HydrophobicContact CG1-CE2 3.58Å; V282-F284 HydrophobicContact CG1-CZ 3.65Å |
| 283 | Y | 95.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.3 | 178.1 | -55.8 | -93.7 | 0 | 0 | 0 | 108 | I8 F10 E85 A86 S88 V132 K281 | I8-Y283 HydrophobicContact CD1-CE1 4.46Å; F10-Y283 AromaticContact CE1-CD2 3.74Å; F10-Y283 HydrophobicContact CE1-CD2 3.74Å; F10-Y283 AromaticContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CG 4.49Å; E85-Y283 CarbonylContact C-O 3.49Å; E85-Y283 VanDerWaalsContact CA-O 3.3Å; E85-Y283 WeakPolarHBondContact CA-O 3.33Å; A86-Y283 PolarHBondContact N-O 3.35Å; A86-Y283 PolarHBondContact O-N 2.89Å; S88-Y283 WeakPolarHBondContact OG-CE2 3.47Å; S88-Y283 PolarHBondContact OG-OH 2.65Å; V132-Y283 HydrophobicContact CG1-CD1 4.35Å; V132-Y283 HydrophobicContact CG1-CE1 4.39Å; V132-Y283 HydrophobicContact CG2-CD1 3.88Å; V132-Y283 HydrophobicContact CG2-CE1 4.4Å; K281-Y283 HydrophobicContact CB-CE2 4.18Å; K281-Y283 HydrophobicContact CD-CE1 4.18Å; K281-Y283 HydrophobicContact CD-CE2 4.43Å; K281-Y283 VanDerWaalsContact CD-OH 3.24Å; K281-Y283 WeakPolarHBondContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CE-OH 3.46Å; K281-Y283 HydrophobicContact CG-CE1 4.11Å; K281-Y283 HydrophobicContact CG-CE2 3.87Å |
| 284 | F | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.8 | 167.5 | -60.8 | -84.6 | 0 | 0 | 0 | 108 | F83 T84 E85 V122 P124 D130 Q131 R133 V282 I351 | F83-F284 HydrophobicContact CE1-CB 4.28Å; F83-F284 AromaticContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE2-CB 4.02Å; F83-F284 HydrophobicContact CZ-CB 3.58Å; F83-F284 HydrophobicContact CZ-CD1 4.13Å; F83-F284 HydrophobicContact CZ-CG 4.18Å; T84-F284 CarbonylContact O-C 3.53Å; T84-F284 VanDerWaalsContact O-CA 3.25Å; T84-F284 WeakPolarHBondContact O-CA 3.24Å; E85-F284 HydrophobicContact CB-CD1 4.3Å; E85-F284 HydrophobicContact CB-CE1 4.33Å; E85-F284 HydrophobicContact CG-CD1 4.24Å; E85-F284 HydrophobicContact CG-CE1 3.95Å; E85-F284 HydrophobicContact CG-CZ 4.49Å; V122-F284 HydrophobicContact CB-CZ 4.35Å; V122-F284 HydrophobicContact CG1-CE2 4.14Å; V122-F284 HydrophobicContact CG1-CZ 3.94Å; V122-F284 WeakPolarHBondContact O-CZ 3.28Å; P124-F284 HydrophobicContact CB-CD1 4.03Å; P124-F284 HydrophobicContact CB-CE1 4.03Å; P124-F284 HydrophobicContact CB-CG 4.41Å; P124-F284 HydrophobicContact CB-CZ 4.41Å; P124-F284 HydrophobicContact CG-CE1 4.41Å; D130-F284 WeakPolarHBondContact CA-O 3.33Å; Q131-F284 HydrophobicContact CG-CB 3.56Å; Q131-F284 HydrophobicContact CG-CD2 3.69Å; Q131-F284 HydrophobicContact CG-CG 3.92Å; Q131-F284 PolarHBondContact N-O 2.76Å; Q131-F284 PolarHBondContact O-N 2.81Å; R133-F284 HydrophobicContact CG-CE2 4.22Å; V282-F284 HydrophobicContact CB-CE2 4.19Å; V282-F284 HydrophobicContact CG1-CD2 4.13Å; V282-F284 HydrophobicContact CG1-CE1 4.25Å; V282-F284 HydrophobicContact CG1-CE2 3.58Å; V282-F284 HydrophobicContact CG1-CZ 3.65Å; F284-I351 HydrophobicContact CD1-CD1 3.55Å; F284-I351 HydrophobicContact CE1-CD1 3.52Å |
| 285 | K | 94.9 | Very high | 93.5 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.4 | -179.3 | -69 | -145.7 | -174.4 | 172.1 | 0 | 112.1 | Y5 F83 T84 D130 | Y5-K285 HydrophobicContact CE2-CD 4.05Å; Y5-K285 VanDerWaalsContact CZ-CE 3.42Å; Y5-K285 WeakPolarHBondContact OH-CD 3.44Å; Y5-K285 WeakPolarHBondContact OH-CE 3Å; Y5-K285 PolarHBondContact OH-NZ 2.74Å; F83-K285 WeakPolarHBondContact CA-O 2.84Å; T84-K285 PolarHBondContact N-O 3.37Å; T84-K285 PolarHBondContact O-N 2.64Å; T84-K285 PolarHBondContact OG1-O 3Å; D130-K285 WeakPolarHBondContact OD1-CA 3.35Å |
| 286 | N | 95.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 103.3 | 170.6 | -174.8 | 25.1 | 0 | 0 | 0 | 109.9 | E81 F83 F128 D130 | E81-N286 WeakPolarHBondContact CB-OD1 3.43Å; E81-N286 PolarHBondContact OE1-ND2 3.16Å; F83-N286 HydrophobicContact CD2-CB 4.27Å; F128-N286 PolarHBondContact O-ND2 2.87Å; D130-N286 PolarHBondContact OD1-N 2.67Å |
| 287 | E | 94.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 46.6 Ų | 46.6 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.5 | 171.3 | -175.1 | 69.4 | -172.5 | 0 | 0 | 109 | E81 S82 H340 K343 | E81-E287 CarbonylContact C-O 3.55Å; E81-E287 WeakPolarHBondContact CA-O 3.38Å; S82-E287 PolarHBondContact N-O 2.85Å; S82-E287 PolarHBondContact O-N 3.25Å; E287-H340 PolarHBondContact O-CE1 2.98Å; E287-K343 IonicContact OE1-NZ 3.19Å; E287-K343 PolarHBondContact OE1-NZ 3.2Å |
| 288 | K | 95.3 | Very high | 93.6 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 39% | 0.391 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.8 | -175.6 | -172.6 | -177.1 | -173.7 | -146.7 | 0 | 110.7 | I79 L80 E81 E290 | I79-K288 HydrophobicContact CG2-CD 4.48Å; I79-K288 HydrophobicContact CG2-CG 3.94Å; L80-K288 WeakPolarHBondContact O-CA 3.36Å; E81-K288 HydrophobicContact CG-CB 4.09Å; E81-K288 HydrophobicContact CG-CD 4.44Å; E81-K288 HydrophobicContact CG-CG 3.8Å; K288-E290 HydrophobicContact CD-CG 4.31Å; K288-E290 WeakPolarHBondContact CE-OE1 3.5Å; K288-E290 HydrophobicContact CG-CG 4.07Å; K288-E290 IonicContact NZ-OE1 3.64Å; K288-E290 PolarHBondContact NZ-OE1 3.05Å; K288-E290 IonicContact NZ-OE2 3.09Å; K288-E290 PolarHBondContact NZ-OE2 3.36Å |
| 289 | S | 96.5 | Very high | 93.6 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.4 | 170.4 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | I79 L80 H340 | I79-S289 WeakPolarHBondContact CA-O 3.37Å; L80-S289 PolarHBondContact N-O 2.89Å; L80-S289 PolarHBondContact O-N 3.18Å; S289-H340 WeakPolarHBondContact CB-NE2 3.3Å; S289-H340 PolarHBondContact OG-NE2 3.09Å |
| 290 | E | 95.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 55.8 Ų | 55.8 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.5 | -173.4 | -60.1 | -172.4 | 110.6 | 0 | 0 | 110.2 | H77 Y78 I79 K288 F336 | H77-E290 IonicContact CE1-OE1 2.64Å; H77-E290 PolarHBondContact CE1-OE1 2.87Å; H77-E290 IonicContact NE2-OE1 3.37Å; H77-E290 PolarHBondContact NE2-OE1 3.04Å; H77-E290 VanDerWaalsContact NE2-OE1 3.17Å; Y78-E290 CarbonylContact O-C 3.52Å; Y78-E290 WeakPolarHBondContact O-CA 3.36Å; I79-E290 HydrophobicContact CB-CG 4.4Å; I79-E290 HydrophobicContact CG1-CB 4.42Å; I79-E290 HydrophobicContact CG1-CG 3.8Å; I79-E290 WeakPolarHBondContact CG1-OE1 3.23Å; I79-E290 HydrophobicContact CG2-CG 4.08Å; K288-E290 HydrophobicContact CD-CG 4.31Å; K288-E290 WeakPolarHBondContact CE-OE1 3.5Å; K288-E290 HydrophobicContact CG-CG 4.07Å; K288-E290 IonicContact NZ-OE1 3.64Å; K288-E290 PolarHBondContact NZ-OE1 3.05Å; K288-E290 IonicContact NZ-OE2 3.09Å; K288-E290 PolarHBondContact NZ-OE2 3.36Å; E290-F336 WeakPolarHBondContact O-CZ 3.49Å |
| 291 | H | 95.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 15% | 0.148 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.4 | 177.6 | -179.4 | 67.7 | 0 | 0 | 0 | 111.2 | H77 Y78 D328 M332 F336 | H77-H291 CarbonylContact C-O 3.48Å; H77-H291 WeakPolarHBondContact CA-O 3.26Å; Y78-H291 PolarHBondContact N-O 2.96Å; Y78-H291 PolarHBondContact O-N 3.03Å; H291-D328 IonicContact CD2-OD2 3.91Å; H291-D328 IonicContact CE1-OD2 2.86Å; H291-D328 IonicContact NE2-OD1 3.41Å; H291-D328 IonicContact NE2-OD2 2.66Å; H291-D328 PolarHBondContact NE2-OD2 3.1Å; H291-M332 HydrophobicContact CB-CB 4.4Å; H291-M332 HydrophobicContact CB-CE 4Å; H291-M332 HydrophobicContact CB-CG 4.39Å; H291-F336 HydrophobicContact CB-CE2 3.93Å; H291-F336 HydrophobicContact CB-CZ 3.92Å |
| 292 | Y | 94.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 8% | 0.078 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.7 | 173.1 | -63.7 | -92.6 | 0 | 0 | 0 | 109.7 | I76 H77 E299 L302 F303 I360 | I76-Y292 WeakPolarHBondContact O-CA 3.38Å; H77-Y292 HydrophobicContact CB-CD1 3.77Å; H77-Y292 HydrophobicContact CB-CE1 3.57Å; H77-Y292 AromaticContact CD2-CE1 3.56Å; H77-Y292 AromaticContact CD2-CE2 3.83Å; H77-Y292 AromaticContact CD2-CZ 3.44Å; H77-Y292 VanDerWaalsContact CD2-CZ 3.44Å; H77-Y292 AromaticContact CE1-CZ 3.78Å; H77-Y292 PolarHBondContact CE1-OH 3.21Å; H77-Y292 VanDerWaalsContact CE1-OH 3.25Å; H77-Y292 AromaticContact CG-CD1 3.94Å; H77-Y292 AromaticContact CG-CE1 3.36Å; H77-Y292 AromaticContact CG-CZ 3.64Å; H77-Y292 AromaticContact ND1-CE1 3.8Å; H77-Y292 AromaticContact ND1-CZ 3.84Å; H77-Y292 AromaticContact NE2-CE2 3.93Å; H77-Y292 AromaticContact NE2-CZ 3.56Å; H77-Y292 PolarHBondContact NE2-OH 3.33Å; Y292-E299 HydrophobicContact CD2-CG 3.71Å; Y292-E299 HydrophobicContact CE2-CG 4.38Å; Y292-E299 HydrophobicContact CG-CG 4.28Å; Y292-L302 HydrophobicContact CD1-CB 3.69Å; Y292-L302 HydrophobicContact CD1-CD1 4.17Å; Y292-L302 HydrophobicContact CE1-CB 3.79Å; Y292-L302 HydrophobicContact CG-CB 4.24Å; Y292-L302 HydrophobicContact CG-CD1 4.35Å; Y292-F303 WeakPolarHBondContact OH-CA 3.27Å; Y292-I360 HydrophobicContact CD1-CD1 4Å; Y292-I360 HydrophobicContact CE1-CD1 3.7Å |
| 293 | T | 92.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | trans | -65.8 | 155.2 | 173.6 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | S75 I76 S295 V329 | S75-T293 PolarHBondContact OG-O 2.71Å; S75-T293 VanDerWaalsContact OG-O 3.13Å; I76-T293 HydrophobicContact CB-CG2 3.79Å; I76-T293 HydrophobicContact CG1-CG2 4.42Å; I76-T293 PolarHBondContact N-OG1 3.26Å; I76-T293 PolarHBondContact O-N 3.14Å; T293-S295 PolarHBondContact O-N 3.43Å; T293-V329 HydrophobicContact CG2-CG2 3.81Å | ||
| 294 | E | 90.4 | Very high | 93.1 | Very high | 188 Ų | 188 | 65.9 Ų | 65.9 | 88% | 0.879 | 31% | 0.314 | S | S | * | . | trans | -49.6 | 131.9 | -176.8 | -170.3 | 173.1 | -176.2 | 0 | 0 | 112.6 | ||||
| 295 | S | 90.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 66.3 Ų | 66.3 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | trans | -151 | 151.8 | -178 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | T293 I297 I362 | T293-S295 PolarHBondContact O-N 3.43Å; S295-I297 PolarHBondContact O-N 3.44Å; S295-I297 PolarHBondContact OG-N 2.89Å; S295-I362 VanDerWaalsContact OG-CD1 3.24Å; S295-I362 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 296 | E | 90.6 | Very high | 92.8 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -69.1 | -13.3 | 171 | -62.2 | -176.7 | -179.2 | 0 | 0 | 112.3 | K364 Y377 | E296-K364 VanDerWaalsContact CD-NZ 3.28Å; E296-K364 IonicContact OE1-NZ 2.82Å; E296-K364 PolarHBondContact OE1-NZ 2.82Å; E296-K364 WeakPolarHBondContact OE2-CD 3.23Å; E296-K364 VanDerWaalsContact OE2-CE 3.27Å; E296-K364 WeakPolarHBondContact OE2-CE 3.2Å; E296-K364 IonicContact OE2-NZ 2.95Å; E296-K364 PolarHBondContact OE2-NZ 2.92Å; E296-Y377 HydrophobicContact CB-CE1 3.79Å; E296-Y377 WeakPolarHBondContact OE2-CE1 3.35Å; E296-Y377 PolarHBondContact OE2-OH 3.45Å |
| 297 | I | 91.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -88.6 | 129.7 | 175.1 | -57.3 | -176 | 0 | 0 | 0 | 109.6 | S295 E299 L301 L302 I362 Y377 Y379 Y386 | S295-I297 PolarHBondContact O-N 3.44Å; S295-I297 PolarHBondContact OG-N 2.89Å; I297-E299 PolarHBondContact O-N 3.5Å; I297-L301 HydrophobicContact CG2-CB 3.89Å; I297-L301 HydrophobicContact CG2-CD1 4.22Å; I297-L302 HydrophobicContact CB-CD2 4.18Å; I297-L302 HydrophobicContact CB-CG 4.41Å; I297-L302 HydrophobicContact CG2-CD2 4.03Å; I297-L302 HydrophobicContact CG2-CG 4.15Å; I297-I362 HydrophobicContact CD1-CD1 3.91Å; I297-I362 HydrophobicContact CD1-CG1 3.96Å; I297-I362 HydrophobicContact CD1-CG2 3.78Å; I297-I362 HydrophobicContact CG1-CD1 4.43Å; I297-I362 HydrophobicContact CG1-CG2 4.46Å; I297-Y377 HydrophobicContact CD1-CD1 4.33Å; I297-Y377 HydrophobicContact CD1-CG 4.31Å; I297-Y377 HydrophobicContact CG1-CD1 4.02Å; I297-Y377 HydrophobicContact CG1-CG 4.11Å; I297-Y379 VanDerWaalsContact CD1-CB 3.44Å; I297-Y379 HydrophobicContact CD1-CD1 3.72Å; I297-Y379 HydrophobicContact CD1-CD2 4.21Å; I297-Y379 HydrophobicContact CD1-CG 3.53Å; I297-Y386 HydrophobicContact CG1-CD1 4.31Å; I297-Y386 HydrophobicContact CG2-CD1 4.4Å |
| 298 | P | 92.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 70.2 Ų | 70.2 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | trans | -55.4 | 135.7 | 175 | -26.4 | 33.2 | 0 | 0 | 0 | 113.3 | K300 L301 L302 Y386 | P298-K300 PolarHBondContact O-N 2.89Å; P298-K300 VanDerWaalsContact O-N 3.09Å; P298-L301 HydrophobicContact CG-CD1 4.43Å; P298-L301 WeakPolarHBondContact O-CB 3.33Å; P298-L301 PolarHBondContact O-N 3.5Å; P298-L302 PolarHBondContact O-N 2.77Å; P298-Y386 HydrophobicContact CG-CE1 4.32Å; P298-Y386 HydrophobicContact CG-CE2 4.5Å | ||
| 299 | E | 90.1 | Very high | 92.2 | Very high | 119 Ų | 119 | 69.5 Ų | 69.5 | 56% | 0.556 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -53.6 | -35.2 | -178.6 | -168 | -178.4 | -180 | 0 | 0 | 113.5 | Y292 I297 L301 L302 F303 | Y292-E299 HydrophobicContact CD2-CG 3.71Å; Y292-E299 HydrophobicContact CE2-CG 4.38Å; Y292-E299 HydrophobicContact CG-CG 4.28Å; I297-E299 PolarHBondContact O-N 3.5Å; E299-L301 PolarHBondContact O-N 3.06Å; E299-L302 WeakPolarHBondContact O-CB 3.49Å; E299-L302 PolarHBondContact O-N 2.91Å; E299-F303 PolarHBondContact O-N 3.15Å |
| 300 | K | 91.9 | Very high | 91.9 | Very high | 180 Ų | 180 | 69.2 Ų | 69.2 | 78% | 0.783 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.6 | -30.7 | 176 | -64.2 | -177.7 | -178 | 177.6 | 0 | 113.6 | P298 | P298-K300 PolarHBondContact O-N 2.89Å; P298-K300 VanDerWaalsContact O-N 3.09Å |
| 301 | L | 92.4 | Very high | 91.6 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -82.8 | -37 | 176 | -63 | -179.1 | 0 | 0 | 0 | 111 | I297 P298 E299 F303 Q304 A305 Y379 Y386 | I297-L301 HydrophobicContact CG2-CB 3.89Å; I297-L301 HydrophobicContact CG2-CD1 4.22Å; P298-L301 HydrophobicContact CG-CD1 4.43Å; P298-L301 WeakPolarHBondContact O-CB 3.33Å; P298-L301 PolarHBondContact O-N 3.5Å; E299-L301 PolarHBondContact O-N 3.06Å; L301-F303 PolarHBondContact O-N 3.28Å; L301-Q304 PolarHBondContact O-N 3.19Å; L301-A305 PolarHBondContact O-N 3.47Å; L301-Y379 HydrophobicContact CB-CE2 4.21Å; L301-Y386 HydrophobicContact CD1-CD1 4.39Å; L301-Y386 HydrophobicContact CD1-CD2 3.32Å; L301-Y386 HydrophobicContact CD1-CE2 3.74Å; L301-Y386 HydrophobicContact CD1-CG 3.7Å |
| 302 | L | 92.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -33 | 173.8 | -63.4 | 176.8 | 0 | 0 | 0 | 111.9 | Y292 I297 P298 E299 Q304 A305 I360 I362 Y379 | Y292-L302 HydrophobicContact CD1-CB 3.69Å; Y292-L302 HydrophobicContact CD1-CD1 4.17Å; Y292-L302 HydrophobicContact CE1-CB 3.79Å; Y292-L302 HydrophobicContact CG-CB 4.24Å; Y292-L302 HydrophobicContact CG-CD1 4.35Å; I297-L302 HydrophobicContact CB-CD2 4.18Å; I297-L302 HydrophobicContact CB-CG 4.41Å; I297-L302 HydrophobicContact CG2-CD2 4.03Å; I297-L302 HydrophobicContact CG2-CG 4.15Å; P298-L302 PolarHBondContact O-N 2.77Å; E299-L302 WeakPolarHBondContact O-CB 3.49Å; E299-L302 PolarHBondContact O-N 2.91Å; L302-Q304 PolarHBondContact O-N 3.29Å; L302-A305 WeakPolarHBondContact O-CB 3.41Å; L302-A305 PolarHBondContact O-N 3.25Å; L302-I360 HydrophobicContact CB-CD1 4.46Å; L302-I360 HydrophobicContact CD2-CD1 4.4Å; L302-I360 HydrophobicContact CD2-CG2 4.19Å; L302-I362 HydrophobicContact CD2-CD1 4.37Å; L302-Y379 HydrophobicContact CD2-CD2 4.5Å |
| 303 | F | 91.3 | Very high | 91.2 | Very high | 136 Ų | 136 | 68.9 Ų | 68.9 | 60% | 0.596 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.8 | 172.8 | -169.2 | -97.6 | 0 | 0 | 0 | 113.9 | Y292 E299 L301 | Y292-F303 WeakPolarHBondContact OH-CA 3.27Å; E299-F303 PolarHBondContact O-N 3.15Å; L301-F303 PolarHBondContact O-N 3.28Å |
| 304 | Q | 90.5 | Very high | 91.2 | Very high | 129 Ų | 129 | 72 Ų | 72 | 60% | 0.603 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.9 | 178.9 | -58.9 | 178.1 | 13.3 | 0 | 0 | 112.6 | L301 L302 Q382 | L301-Q304 PolarHBondContact O-N 3.19Å; L302-Q304 PolarHBondContact O-N 3.29Å; Q304-Q382 PolarHBondContact O-NE2 3.2Å |
| 305 | A | 92.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | trans | -91.7 | 136.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L301 L302 I360 Y379 | L301-A305 PolarHBondContact O-N 3.47Å; L302-A305 WeakPolarHBondContact O-CB 3.41Å; L302-A305 PolarHBondContact O-N 3.25Å; A305-I360 HydrophobicContact CB-CD1 4.39Å; A305-I360 HydrophobicContact CB-CG2 4.09Å; A305-Y379 HydrophobicContact CB-CD2 3.71Å; A305-Y379 HydrophobicContact CB-CE2 3.84Å | ||
| 306 | E | 92.1 | Very high | 90.9 | Very high | 128 Ų | 128 | 66.7 Ų | 66.7 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | trans | -89.6 | 146.2 | 168.1 | -53.7 | 168.5 | -172.5 | 0 | 0 | 109.5 | G380 T381 Q382 | E306-G380 CarbonylContact O-C 3.57Å; E306-G380 WeakPolarHBondContact O-CA 3.48Å; E306-T381 WeakPolarHBondContact CB-OG1 3.39Å; E306-T381 PolarHBondContact O-N 3.13Å; E306-T381 PolarHBondContact O-OG1 2.82Å; E306-Q382 VanDerWaalsContact N-NE2 3.11Å; E306-Q382 VanDerWaalsContact N-OE1 3.12Å | ||
| 307 | G | 90.7 | Very high | 90.8 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | trans | -121 | 168.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A359 | G307-A359 CarbonylContact C-O 3.58Å; G307-A359 WeakPolarHBondContact CA-O 3.27Å | ||
| 308 | K | 90.5 | Very high | 90.6 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133 | 171.5 | -175.1 | 177.1 | 175.8 | 178.3 | 0 | 109.5 | D34 I310 N358 A359 | D34-K308 VanDerWaalsContact O-CD 3.25Å; D34-K308 WeakPolarHBondContact O-CD 3.27Å; D34-K308 WeakPolarHBondContact O-CE 3.4Å; D34-K308 PolarHBondContact O-NZ 3.24Å; K308-I310 PolarHBondContact O-N 3.28Å; K308-N358 CarbonylContact O-C 3.4Å; K308-N358 VanDerWaalsContact O-CA 3.3Å; K308-N358 WeakPolarHBondContact O-CA 3.16Å; K308-A359 PolarHBondContact N-O 3.44Å; K308-A359 PolarHBondContact O-N 3.14Å |
| 309 | R | 91.3 | Very high | 90.5 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 119.8 | 172.7 | -174.7 | 64.1 | 61.2 | 93.9 | -5.4 | 109.5 | F32 F311 E312 Y356 N358 | F32-R309 WeakPolarHBondContact CD2-O 3.37Å; F32-R309 HydrophobicContact CE2-CG 4.5Å; R309-F311 WeakPolarHBondContact CD-O 3.45Å; R309-E312 IonicContact CZ-OE2 2.98Å; R309-E312 IonicContact NH1-OE1 3.82Å; R309-E312 PolarHBondContact NH1-OE1 3.29Å; R309-E312 IonicContact NH1-OE2 3.37Å; R309-E312 PolarHBondContact NH1-OE2 3.01Å; R309-Y356 VanDerWaalsContact CZ-CG 3.48Å; R309-Y356 VanDerWaalsContact NH2-CE2 3.28Å; R309-N358 PolarHBondContact NE-OD1 2.79Å |
| 310 | I | 90.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -12.2 | -179.5 | 57 | 153.4 | 0 | 0 | 0 | 113.8 | Y31 F32 I35 I76 K308 Y324 M357 A359 | Y31-I310 WeakPolarHBondContact CA-O 3.35Å; F32-I310 PolarHBondContact N-O 3.27Å; I35-I310 HydrophobicContact CD1-CG2 4.21Å; I35-I310 HydrophobicContact CG1-CG2 4.19Å; I76-I310 HydrophobicContact CD1-CD1 3.72Å; K308-I310 PolarHBondContact O-N 3.28Å; I310-Y324 WeakPolarHBondContact CD1-OH 3.41Å; I310-M357 HydrophobicContact CD1-CB 4.05Å; I310-M357 HydrophobicContact CG1-CB 3.78Å; I310-M357 WeakPolarHBondContact CG1-O 3.46Å; I310-M357 PolarHBondContact N-O 2.8Å; I310-A359 HydrophobicContact CB-CB 4.44Å; I310-A359 HydrophobicContact CD1-CB 4.1Å; I310-A359 HydrophobicContact CG1-CB 4.12Å; I310-A359 HydrophobicContact CG2-CB 3.52Å |
| 311 | F | 88.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 141.7 | 176.6 | 173.6 | -94.9 | 0 | 0 | 0 | 109.4 | M29 Y31 R309 E313 I321 H355 Y356 M357 | M29-F311 HydrophobicContact CB-CE2 4.24Å; M29-F311 HydrophobicContact CE-CE2 3.86Å; M29-F311 HydrophobicContact CE-CZ 4.46Å; M29-F311 HydrophobicContact CG-CE2 4.24Å; Y31-F311 HydrophobicContact CE1-CD2 4.46Å; R309-F311 WeakPolarHBondContact CD-O 3.45Å; F311-E313 HydrophobicContact CE1-CB 4.2Å; F311-E313 HydrophobicContact CZ-CB 3.84Å; F311-I321 HydrophobicContact CD1-CD1 4.15Å; F311-I321 HydrophobicContact CE1-CD1 3.65Å; F311-I321 HydrophobicContact CE1-CG1 4.41Å; F311-I321 HydrophobicContact CZ-CD1 4.09Å; F311-I321 HydrophobicContact CZ-CG1 4.47Å; F311-H355 AromaticContact CE1-CD2 3.49Å; F311-H355 VanDerWaalsContact CE1-CD2 3.49Å; F311-H355 WeakPolarHBondContact CE1-CD2 3.3Å; F311-H355 AromaticContact CE1-CE1 3.85Å; F311-H355 AromaticContact CE1-CG 3.97Å; F311-H355 AromaticContact CE1-NE2 3.41Å; F311-H355 WeakPolarHBondContact CE1-NE2 3.26Å; F311-H355 AromaticContact CZ-NE2 3.54Å; F311-Y356 CarbonylContact O-C 3.54Å; F311-Y356 WeakPolarHBondContact O-CA 3.17Å; F311-Y356 WeakPolarHBondContact O-CB 3.5Å; F311-M357 HydrophobicContact CB-CB 4.03Å; F311-M357 HydrophobicContact CB-CE 3.32Å; F311-M357 HydrophobicContact CB-CG 4.29Å; F311-M357 HydrophobicContact CD1-CE 3.72Å; F311-M357 HydrophobicContact CD1-CG 4.27Å; F311-M357 HydrophobicContact CD2-CE 4.14Å; F311-M357 HydrophobicContact CG-CE 3.46Å; F311-M357 VanDerWaalsContact CG-CE 3.46Å; F311-M357 PolarHBondContact N-O 3.28Å; F311-M357 PolarHBondContact O-N 3.35Å |
| 312 | E | 91.6 | Very high | 90.1 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 134.9 | 171.3 | 179.9 | 163.6 | -146 | 0 | 0 | 109.7 | R309 H355 | R309-E312 IonicContact CZ-OE2 2.98Å; R309-E312 IonicContact NH1-OE1 3.82Å; R309-E312 PolarHBondContact NH1-OE1 3.29Å; R309-E312 IonicContact NH1-OE2 3.37Å; R309-E312 PolarHBondContact NH1-OE2 3.01Å; E312-H355 WeakPolarHBondContact CA-O 3.47Å |
| 313 | E | 90.7 | Very high | 89.7 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 136.2 | 173.5 | 170 | 172.1 | -158.9 | 0 | 0 | 108.7 | F311 Q315 R354 H355 | F311-E313 HydrophobicContact CE1-CB 4.2Å; F311-E313 HydrophobicContact CZ-CB 3.84Å; E313-Q315 HydrophobicContact CG-CG 4.38Å; E313-Q315 PolarHBondContact OE1-NE2 2.82Å; E313-R354 CarbonylContact O-C 3.5Å; E313-R354 WeakPolarHBondContact O-CA 3.48Å; E313-R354 WeakPolarHBondContact O-CB 3.44Å; E313-H355 PolarHBondContact N-O 2.66Å; E313-H355 PolarHBondContact O-N 3.31Å; E313-H355 IonicContact OE2-NE2 3.98Å; E313-H355 PolarHBondContact OE2-NE2 2.93Å |
| 314 | E | 92.3 | Very high | 89.4 | Confident | 77 Ų | 77 | 57.8 Ų | 57.8 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124 | 179.8 | 179.4 | -176.2 | 140.8 | 0 | 0 | 109 | F128 R352 Q353 R354 | F128-E314 HydrophobicContact CE2-CG 4.33Å; F128-E314 HydrophobicContact CZ-CG 4.32Å; E314-R352 HydrophobicContact CG-CG 3.82Å; E314-R352 WeakPolarHBondContact OE1-CG 3.41Å; E314-R352 IonicContact OE1-CZ 3.73Å; E314-R352 IonicContact OE1-NH1 2.85Å; E314-R352 PolarHBondContact OE1-NH1 3.01Å; E314-Q353 WeakPolarHBondContact CA-O 3.38Å; E314-R354 HydrophobicContact CB-CB 3.94Å; E314-R354 HydrophobicContact CG-CB 4.12Å |
| 315 | Q | 89.4 | Confident | 89.2 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 160.5 | -179.7 | -71.9 | 177.3 | -2.1 | 0 | 0 | 109.4 | E313 Y317 I318 R352 Q353 | E313-Q315 HydrophobicContact CG-CG 4.38Å; E313-Q315 PolarHBondContact OE1-NE2 2.82Å; Q315-Y317 PolarHBondContact O-N 3.36Å; Q315-Y317 PolarHBondContact OE1-O 2.83Å; Q315-I318 HydrophobicContact CB-CG2 4.43Å; Q315-R352 VanDerWaalsContact C-CD 3.43Å; Q315-R352 VanDerWaalsContact O-CD 3.25Å; Q315-R352 WeakPolarHBondContact O-CD 3.37Å; Q315-Q353 PolarHBondContact N-O 3.36Å; Q315-Q353 CarbonylContact O-C 3.54Å; Q315-Q353 PolarHBondContact O-N 2.97Å |
| 316 | D | 86.6 | Confident | 88.8 | Confident | 87 Ų | 87 | 64.9 Ų | 64.9 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -54.2 | -38.9 | 174.8 | -68.6 | -17.6 | 0 | 0 | 0 | 110.6 | R352 | D316-R352 IonicContact OD1-CZ 3.43Å; D316-R352 IonicContact OD1-NE 2.79Å; D316-R352 PolarHBondContact OD1-NE 3Å; D316-R352 IonicContact OD1-NH2 2.75Å; D316-R352 PolarHBondContact OD1-NH2 2.83Å |
| 317 | Y | 86.9 | Confident | 88.7 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -141.3 | 125.9 | 169.6 | -64 | -105.3 | 0 | 0 | 0 | 109.4 | Y16 P19 Q315 V350 | Y16-Y317 WeakPolarHBondContact OH-CE1 3.34Å; Y16-Y317 PolarHBondContact OH-OH 3.39Å; P19-Y317 HydrophobicContact CB-CD2 3.81Å; P19-Y317 HydrophobicContact CB-CE2 3.78Å; P19-Y317 HydrophobicContact CB-CG 4.39Å; P19-Y317 VanDerWaalsContact CD-CE1 3.41Å; P19-Y317 HydrophobicContact CG-CD1 3.65Å; P19-Y317 HydrophobicContact CG-CD2 3.28Å; P19-Y317 HydrophobicContact CG-CE1 3.78Å; P19-Y317 HydrophobicContact CG-CE2 3.43Å; P19-Y317 VanDerWaalsContact CG-CE2 3.43Å; P19-Y317 HydrophobicContact CG-CG 3.4Å; P19-Y317 VanDerWaalsContact CG-CG 3.4Å; Q315-Y317 PolarHBondContact O-N 3.36Å; Q315-Y317 PolarHBondContact OE1-O 2.83Å; Y317-V350 HydrophobicContact CD1-CB 4.34Å; Y317-V350 HydrophobicContact CD1-CG1 4.22Å; Y317-V350 HydrophobicContact CE1-CB 3.6Å; Y317-V350 HydrophobicContact CE1-CG1 3.95Å; Y317-V350 HydrophobicContact CE1-CG2 4.05Å; Y317-V350 PolarHBondContact OH-O 3.27Å |
| 318 | I | 88.9 | Confident | 88.8 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 150.4 | -178.4 | 68.1 | 144.8 | 0 | 0 | 0 | 111.1 | L80 Q315 C337 Q353 H355 | L80-I318 HydrophobicContact CD1-CD1 3.39Å; L80-I318 HydrophobicContact CD1-CG1 3.9Å; Q315-I318 HydrophobicContact CB-CG2 4.43Å; I318-C337 VanDerWaalsContact CD1-SG 3.57Å; I318-Q353 HydrophobicContact CB-CB 4.45Å; I318-Q353 HydrophobicContact CG1-CB 4.33Å; I318-Q353 HydrophobicContact CG2-CB 3.7Å; I318-H355 HydrophobicContact CD1-CB 3.97Å; I318-H355 WeakPolarHBondContact CD1-ND1 3.37Å |
| 319 | I | 88.9 | Confident | 88.8 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 46% | 0.462 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 134.9 | 167.4 | -59.5 | 173.2 | 0 | 0 | 0 | 107.9 | I321 | I319-I321 PolarHBondContact O-N 3.13Š|
| 320 | P | 91.3 | Very high | 88.9 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 138.2 | 175.3 | -24.3 | 32.6 | 0 | 0 | 0 | 112.6 | S322 S333 K334 C337 | P320-S322 PolarHBondContact O-N 2.86Å; P320-S333 WeakPolarHBondContact CA-OG 3.09Å; P320-K334 HydrophobicContact CB-CB 4.39Å; P320-K334 HydrophobicContact CB-CG 3.7Å; P320-K334 HydrophobicContact CG-CG 4.42Å; P320-C337 HydrophobicContact CG-CB 3.94Å |
| 321 | I | 89.8 | Confident | 89.1 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 130 | 173.8 | -50.8 | 179.4 | 0 | 0 | 0 | 108.2 | Y78 F311 I319 V329 N330 S333 H355 M357 | Y78-I321 HydrophobicContact CD2-CD1 4.28Å; Y78-I321 HydrophobicContact CE2-CD1 3.7Å; F311-I321 HydrophobicContact CD1-CD1 4.15Å; F311-I321 HydrophobicContact CE1-CD1 3.65Å; F311-I321 HydrophobicContact CE1-CG1 4.41Å; F311-I321 HydrophobicContact CZ-CD1 4.09Å; F311-I321 HydrophobicContact CZ-CG1 4.47Å; I319-I321 PolarHBondContact O-N 3.13Å; I321-V329 HydrophobicContact CD1-CG1 4.27Å; I321-N330 WeakPolarHBondContact CG2-OD1 3.36Å; I321-N330 WeakPolarHBondContact O-CA 3.28Å; I321-S333 PolarHBondContact N-OG 3.47Å; I321-H355 WeakPolarHBondContact CG1-CE1 3.35Å; I321-M357 HydrophobicContact CD1-CE 4.19Å; I321-M357 HydrophobicContact CD1-SD 4.45Å |
| 322 | S | 84.8 | Confident | 89.4 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | trans | -131.2 | -13.5 | -174.9 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | P320 | P320-S322 PolarHBondContact O-N 2.86Š| ||
| 323 | Q | 84.6 | Confident | 89.6 | Confident | 171 Ų | 171 | 64.8 Ų | 64.8 | 80% | 0.799 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -125.5 | 20.1 | -173.5 | -60.8 | -176.4 | 2.2 | 0 | 0 | 112.7 | N330 | Q323-N330 PolarHBondContact N-OD1 3.18Š|
| 324 | Y | 85.7 | Confident | 89.7 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | trans | -76 | 151.1 | 174.4 | -167.8 | -113 | 0 | 0 | 0 | 111 | Y31 I76 I310 E326 V329 N330 M357 | Y31-Y324 HydrophobicContact CD1-CE2 4.43Å; Y31-Y324 AromaticContact CE1-CD2 3.83Å; Y31-Y324 HydrophobicContact CE1-CD2 3.83Å; Y31-Y324 AromaticContact CE1-CE2 3.79Å; Y31-Y324 HydrophobicContact CE1-CE2 3.79Å; I76-Y324 HydrophobicContact CG1-CE1 4.49Å; I310-Y324 WeakPolarHBondContact CD1-OH 3.41Å; Y324-E326 VanDerWaalsContact C-N 3.27Å; Y324-E326 HydrophobicContact CD1-CB 3.82Å; Y324-E326 HydrophobicContact CD1-CG 4.47Å; Y324-E326 HydrophobicContact CE1-CB 3.85Å; Y324-E326 HydrophobicContact CE1-CG 4.04Å; Y324-E326 PolarHBondContact O-N 2.94Å; Y324-V329 HydrophobicContact CD1-CB 3.9Å; Y324-V329 HydrophobicContact CD1-CG1 4.09Å; Y324-V329 HydrophobicContact CD1-CG2 3.99Å; Y324-V329 HydrophobicContact CE1-CG2 4.13Å; Y324-N330 WeakPolarHBondContact CB-OD1 3.46Å; Y324-N330 PolarHBondContact N-OD1 2.78Å; Y324-N330 PolarHBondContact O-ND2 3.11Å; Y324-M357 HydrophobicContact CD1-SD 4.33Å; Y324-M357 HydrophobicContact CD2-CE 3.86Å; Y324-M357 HydrophobicContact CE1-CE 4.4Å; Y324-M357 HydrophobicContact CE1-SD 4.09Å; Y324-M357 HydrophobicContact CE2-CE 3.72Å; Y324-M357 HydrophobicContact CE2-SD 4.45Å; Y324-M357 HydrophobicContact CG-CE 4.26Å | ||
| 325 | Q | 85.9 | Confident | 89.9 | Confident | 189 Ų | 189 | 69 Ų | 69 | 88% | 0.883 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -60.3 | -36.7 | -176.2 | -66.5 | 179.5 | 2.1 | 0 | 0 | 112.3 | ||
| 326 | E | 85.1 | Confident | 90.2 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -87.2 | 113.7 | 175.7 | -67 | -65.8 | 171.7 | 0 | 0 | 111.2 | Y324 D328 V329 | Y324-E326 VanDerWaalsContact C-N 3.27Å; Y324-E326 HydrophobicContact CD1-CB 3.82Å; Y324-E326 HydrophobicContact CD1-CG 4.47Å; Y324-E326 HydrophobicContact CE1-CB 3.85Å; Y324-E326 HydrophobicContact CE1-CG 4.04Å; Y324-E326 PolarHBondContact O-N 2.94Å; E326-D328 VanDerWaalsContact C-N 3.26Å; E326-D328 PolarHBondContact O-N 2.81Å; E326-V329 HydrophobicContact CB-CG2 4.04Å; E326-V329 PolarHBondContact O-N 2.89Å |
| 327 | E | 89.6 | Confident | 90.5 | Very high | 160 Ų | 160 | 65 Ų | 65 | 75% | 0.748 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.3 | -32.2 | -177.1 | -170.2 | 178.7 | 179 | 0 | 0 | 112.7 | V329 N330 K331 | E327-V329 VanDerWaalsContact C-N 3.31Å; E327-V329 PolarHBondContact O-N 3.06Å; E327-N330 WeakPolarHBondContact O-CB 3.39Å; E327-N330 PolarHBondContact O-N 2.88Å; E327-N330 VanDerWaalsContact O-N 3.1Å; E327-K331 PolarHBondContact O-N 3.01Å |
| 328 | D | 91.8 | Very high | 90.7 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 179.9 | -167.4 | 32.2 | 0 | 0 | 0 | 111.8 | H291 E326 N330 K331 M332 | H291-D328 IonicContact CD2-OD2 3.91Å; H291-D328 IonicContact CE1-OD2 2.86Å; H291-D328 IonicContact NE2-OD1 3.41Å; H291-D328 IonicContact NE2-OD2 2.66Å; H291-D328 PolarHBondContact NE2-OD2 3.1Å; E326-D328 VanDerWaalsContact C-N 3.26Å; E326-D328 PolarHBondContact O-N 2.81Å; D328-N330 PolarHBondContact O-N 2.9Å; D328-K331 PolarHBondContact O-N 2.89Å; D328-M332 WeakPolarHBondContact O-CB 3.3Å; D328-M332 WeakPolarHBondContact O-CG 3.23Å; D328-M332 PolarHBondContact O-N 3.27Å |
| 329 | V | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 173.4 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | I76 Y78 T293 I321 Y324 E326 E327 K331 M332 S333 M357 | I76-V329 HydrophobicContact CB-CG2 4.39Å; I76-V329 HydrophobicContact CG2-CG2 4.08Å; Y78-V329 HydrophobicContact CD2-CG1 4.18Å; Y78-V329 HydrophobicContact CG-CG1 4.47Å; T293-V329 HydrophobicContact CG2-CG2 3.81Å; I321-V329 HydrophobicContact CD1-CG1 4.27Å; Y324-V329 HydrophobicContact CD1-CB 3.9Å; Y324-V329 HydrophobicContact CD1-CG1 4.09Å; Y324-V329 HydrophobicContact CD1-CG2 3.99Å; Y324-V329 HydrophobicContact CE1-CG2 4.13Å; E326-V329 HydrophobicContact CB-CG2 4.04Å; E326-V329 PolarHBondContact O-N 2.89Å; E327-V329 VanDerWaalsContact C-N 3.31Å; E327-V329 PolarHBondContact O-N 3.06Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 2.93Å; V329-M332 PolarHBondContact O-N 3.3Å; V329-S333 VanDerWaalsContact O-CB 3.23Å; V329-S333 WeakPolarHBondContact O-CB 3.21Å; V329-S333 PolarHBondContact O-N 2.63Å; V329-M357 HydrophobicContact CG1-SD 3.56Å; V329-M357 VanDerWaalsContact CG1-SD 3.56Å; V329-M357 HydrophobicContact CG2-SD 4.33Å |
| 330 | N | 92.3 | Very high | 91 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 179.3 | -62 | -39.1 | 0 | 0 | 0 | 111.3 | I321 Q323 Y324 E327 D328 K334 | I321-N330 WeakPolarHBondContact CG2-OD1 3.36Å; I321-N330 WeakPolarHBondContact O-CA 3.28Å; Q323-N330 PolarHBondContact N-OD1 3.18Å; Y324-N330 WeakPolarHBondContact CB-OD1 3.46Å; Y324-N330 PolarHBondContact N-OD1 2.78Å; Y324-N330 PolarHBondContact O-ND2 3.11Å; E327-N330 WeakPolarHBondContact O-CB 3.39Å; E327-N330 PolarHBondContact O-N 2.88Å; E327-N330 VanDerWaalsContact O-N 3.1Å; D328-N330 PolarHBondContact O-N 2.9Å; N330-K334 WeakPolarHBondContact O-CG 3.48Å; N330-K334 PolarHBondContact O-N 3.45Å |
| 331 | K | 94.7 | Very high | 90.9 | Very high | 141 Ų | 141 | 65.4 Ų | 65.4 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66 | -48.9 | 177 | -178.3 | -175.5 | 174.4 | -171.7 | 0 | 111.6 | E327 D328 V329 K334 L335 | E327-K331 PolarHBondContact O-N 3.01Å; D328-K331 PolarHBondContact O-N 2.89Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 2.93Å; K331-K334 PolarHBondContact O-N 2.86Å; K331-L335 PolarHBondContact O-N 2.85Å |
| 332 | M | 95.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 72.1 Ų | 72.1 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.8 | -33.8 | -178 | -68.9 | -57.9 | -74.4 | 0 | 0 | 112.4 | H291 D328 V329 L335 F336 | H291-M332 HydrophobicContact CB-CB 4.4Å; H291-M332 HydrophobicContact CB-CE 4Å; H291-M332 HydrophobicContact CB-CG 4.39Å; D328-M332 WeakPolarHBondContact O-CB 3.3Å; D328-M332 WeakPolarHBondContact O-CG 3.23Å; D328-M332 PolarHBondContact O-N 3.27Å; V329-M332 PolarHBondContact O-N 3.3Å; M332-L335 HydrophobicContact CE-CD2 4.18Å; M332-L335 PolarHBondContact O-N 2.99Å; M332-L335 HydrophobicContact SD-CD2 3.87Å; M332-F336 HydrophobicContact CE-CD1 4.36Å; M332-F336 HydrophobicContact CE-CE1 3.49Å; M332-F336 VanDerWaalsContact CE-CE1 3.49Å; M332-F336 HydrophobicContact CE-CE2 4.44Å; M332-F336 HydrophobicContact CE-CZ 3.53Å; M332-F336 WeakPolarHBondContact O-CB 3.1Å; M332-F336 WeakPolarHBondContact O-CG 3.36Å; M332-F336 PolarHBondContact O-N 2.82Å |
| 333 | S | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -48.8 | 171.9 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | Y78 P320 I321 V329 L335 F336 C337 | Y78-S333 WeakPolarHBondContact OH-CA 3.45Å; Y78-S333 WeakPolarHBondContact OH-CB 3.21Å; Y78-S333 PolarHBondContact OH-OG 3.46Å; P320-S333 WeakPolarHBondContact CA-OG 3.09Å; I321-S333 PolarHBondContact N-OG 3.47Å; V329-S333 VanDerWaalsContact O-CB 3.23Å; V329-S333 WeakPolarHBondContact O-CB 3.21Å; V329-S333 PolarHBondContact O-N 2.63Å; S333-L335 PolarHBondContact O-N 3.43Å; S333-F336 PolarHBondContact O-N 2.75Å; S333-C337 WeakPolarHBondContact O-CB 3.19Å; S333-C337 PolarHBondContact O-N 2.75Å; S333-C337 PolarHBondContact O-SG 3.24Å |
| 334 | K | 94 | Very high | 90.9 | Very high | 115 Ų | 115 | 66 Ų | 66 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.2 | -70 | 171.5 | -174.9 | 174.7 | 0 | 112.2 | P320 N330 K331 A338 | P320-K334 HydrophobicContact CB-CB 4.39Å; P320-K334 HydrophobicContact CB-CG 3.7Å; P320-K334 HydrophobicContact CG-CG 4.42Å; N330-K334 WeakPolarHBondContact O-CG 3.48Å; N330-K334 PolarHBondContact O-N 3.45Å; K331-K334 PolarHBondContact O-N 2.86Å; K334-A338 WeakPolarHBondContact O-CB 3.39Å; K334-A338 PolarHBondContact O-N 3.47Å; K334-A338 VanDerWaalsContact O-N 3.12Å |
| 335 | L | 95.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 70.1 Ų | 70.1 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -50.4 | -179.8 | -178.1 | 66 | 0 | 0 | 0 | 111.7 | K331 M332 S333 A338 Q339 | K331-L335 PolarHBondContact O-N 2.85Å; M332-L335 HydrophobicContact CE-CD2 4.18Å; M332-L335 PolarHBondContact O-N 2.99Å; M332-L335 HydrophobicContact SD-CD2 3.87Å; S333-L335 PolarHBondContact O-N 3.43Å; L335-A338 PolarHBondContact O-N 2.72Å; L335-Q339 HydrophobicContact CD1-CG 4.39Å; L335-Q339 HydrophobicContact CG-CG 4.45Å; L335-Q339 WeakPolarHBondContact O-CB 3.32Å; L335-Q339 VanDerWaalsContact O-CG 3.31Å; L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.2Å |
| 336 | F | 96.2 | Very high | 90.2 | Very high | 14 Ų | 14 | 63 Ų | 63 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | -178.5 | -70.2 | -10.2 | 0 | 0 | 0 | 111.8 | Y78 L80 E290 H291 M332 S333 A338 Q339 H340 | Y78-F336 AromaticContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CE2 4.04Å; Y78-F336 AromaticContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CE2 4.23Å; L80-F336 HydrophobicContact CB-CB 4.13Å; L80-F336 HydrophobicContact CB-CD2 4.15Å; L80-F336 VanDerWaalsContact CD2-C 3.48Å; L80-F336 HydrophobicContact CD2-CB 3.55Å; L80-F336 HydrophobicContact CG-CB 4.47Å; E290-F336 WeakPolarHBondContact O-CZ 3.49Å; H291-F336 HydrophobicContact CB-CE2 3.93Å; H291-F336 HydrophobicContact CB-CZ 3.92Å; M332-F336 HydrophobicContact CE-CD1 4.36Å; M332-F336 HydrophobicContact CE-CE1 3.49Å; M332-F336 VanDerWaalsContact CE-CE1 3.49Å; M332-F336 HydrophobicContact CE-CE2 4.44Å; M332-F336 HydrophobicContact CE-CZ 3.53Å; M332-F336 WeakPolarHBondContact O-CB 3.1Å; M332-F336 WeakPolarHBondContact O-CG 3.36Å; M332-F336 PolarHBondContact O-N 2.82Å; S333-F336 PolarHBondContact O-N 2.75Å; F336-A338 VanDerWaalsContact C-N 3.35Å; F336-A338 PolarHBondContact O-N 3.26Å; F336-Q339 PolarHBondContact O-N 3.23Å; F336-H340 WeakPolarHBondContact O-CB 3.23Å; F336-H340 PolarHBondContact O-CD2 3.21Å; F336-H340 PolarHBondContact O-N 3.23Å |
| 337 | C | 92.3 | Very high | 90 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.3 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | I318 P320 S333 L341 | I318-C337 VanDerWaalsContact CD1-SG 3.57Å; P320-C337 HydrophobicContact CG-CB 3.94Å; S333-C337 WeakPolarHBondContact O-CB 3.19Å; S333-C337 PolarHBondContact O-N 2.75Å; S333-C337 PolarHBondContact O-SG 3.24Å; C337-L341 WeakPolarHBondContact O-CB 3.31Å; C337-L341 PolarHBondContact O-N 2.8Å |
| 338 | A | 91.1 | Very high | 89.9 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K334 L335 F336 L341 Q342 | K334-A338 WeakPolarHBondContact O-CB 3.39Å; K334-A338 PolarHBondContact O-N 3.47Å; K334-A338 VanDerWaalsContact O-N 3.12Å; L335-A338 PolarHBondContact O-N 2.72Å; F336-A338 VanDerWaalsContact C-N 3.35Å; F336-A338 PolarHBondContact O-N 3.26Å; A338-L341 PolarHBondContact O-N 2.92Å; A338-Q342 WeakPolarHBondContact O-CB 3.35Å; A338-Q342 PolarHBondContact O-N 3.28Å |
| 339 | Q | 92.6 | Very high | 89.7 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 177.4 | -75.2 | 177 | -11.9 | 0 | 0 | 112.3 | L335 F336 Q342 K343 | L335-Q339 HydrophobicContact CD1-CG 4.39Å; L335-Q339 HydrophobicContact CG-CG 4.45Å; L335-Q339 WeakPolarHBondContact O-CB 3.32Å; L335-Q339 VanDerWaalsContact O-CG 3.31Å; L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.2Å; F336-Q339 PolarHBondContact O-N 3.23Å; Q339-Q342 PolarHBondContact O-N 3.02Å; Q339-K343 WeakPolarHBondContact O-CG 3.21Å; Q339-K343 PolarHBondContact O-N 3.08Å |
| 340 | H | 91.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 178.4 | -78.1 | -143.5 | 0 | 0 | 0 | 110.7 | L80 S82 E287 S289 F336 Q342 K343 C344 | L80-H340 HydrophobicContact CD2-CB 4.45Å; S82-H340 VanDerWaalsContact CB-ND1 3.29Å; S82-H340 WeakPolarHBondContact CB-ND1 3.19Å; S82-H340 PolarHBondContact OG-ND1 3.29Å; E287-H340 PolarHBondContact O-CE1 2.98Å; S289-H340 WeakPolarHBondContact CB-NE2 3.3Å; S289-H340 PolarHBondContact OG-NE2 3.09Å; F336-H340 WeakPolarHBondContact O-CB 3.23Å; F336-H340 PolarHBondContact O-CD2 3.21Å; F336-H340 PolarHBondContact O-N 3.23Å; H340-Q342 PolarHBondContact O-N 2.82Å; H340-K343 PolarHBondContact O-N 2.95Å; H340-C344 PolarHBondContact O-N 3.29Å; H340-C344 VanDerWaalsContact O-N 3.09Å; H340-C344 PolarHBondContact O-SG 3.35Å |
| 341 | L | 87.8 | Confident | 89.5 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.7 | -50 | 174.2 | -178.9 | 61.7 | 0 | 0 | 0 | 111 | C337 A338 K343 C344 M345 | C337-L341 WeakPolarHBondContact O-CB 3.31Å; C337-L341 PolarHBondContact O-N 2.8Å; A338-L341 PolarHBondContact O-N 2.92Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.07Å; L341-C344 PolarHBondContact O-N 2.8Å; L341-M345 VanDerWaalsContact O-CG 3.3Å; L341-M345 WeakPolarHBondContact O-CG 3.37Å; L341-M345 PolarHBondContact O-N 2.87Å |
| 342 | Q | 87.8 | Confident | 89.4 | Confident | 148 Ų | 148 | 54 Ų | 54 | 69% | 0.692 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.2 | -39 | 179.6 | -173.2 | 179.3 | 5.4 | 0 | 0 | 112.8 | A338 Q339 H340 C344 | A338-Q342 WeakPolarHBondContact O-CB 3.35Å; A338-Q342 PolarHBondContact O-N 3.28Å; Q339-Q342 PolarHBondContact O-N 3.02Å; H340-Q342 PolarHBondContact O-N 2.82Å; Q342-C344 VanDerWaalsContact C-N 3.32Å |
| 343 | K | 86.5 | Confident | 89.4 | Confident | 108 Ų | 108 | 53.3 Ų | 53.3 | 47% | 0.47 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -32.8 | 175.6 | -74.1 | 177.3 | -178.5 | 173.6 | 0 | 112.8 | E287 Q339 H340 L341 | E287-K343 IonicContact OE1-NZ 3.19Å; E287-K343 PolarHBondContact OE1-NZ 3.2Å; Q339-K343 WeakPolarHBondContact O-CG 3.21Å; Q339-K343 PolarHBondContact O-N 3.08Å; H340-K343 PolarHBondContact O-N 2.95Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.07Å |
| 344 | C | 84.9 | Confident | 89.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -82.6 | -28.6 | -177.5 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | H340 L341 Q342 G346 V347 C348 V350 | H340-C344 PolarHBondContact O-N 3.29Å; H340-C344 VanDerWaalsContact O-N 3.09Å; H340-C344 PolarHBondContact O-SG 3.35Å; L341-C344 PolarHBondContact O-N 2.8Å; Q342-C344 VanDerWaalsContact C-N 3.32Å; C344-G346 PolarHBondContact O-N 3.44Å; C344-V347 PolarHBondContact O-N 3.28Å; C344-C348 VanDerWaalsContact CA-SG 3.53Å; C344-C348 PolarHBondContact O-N 3.21Å; C344-V350 HydrophobicContact CB-CG2 4.11Å |
| 345 | M | 81.4 | Confident | 89.4 | Confident | 122 Ų | 122 | 50.5 Ų | 50.5 | 60% | 0.601 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 111.6 | -174.9 | -79.8 | 177.2 | 74.5 | 0 | 0 | 112.7 | L341 V347 | L341-M345 VanDerWaalsContact O-CG 3.3Å; L341-M345 WeakPolarHBondContact O-CG 3.37Å; L341-M345 PolarHBondContact O-N 2.87Å; M345-V347 PolarHBondContact O-N 2.99Å |
| 346 | G | 75.4 | Confident | 89.3 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -7.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | C344 | C344-G346 PolarHBondContact O-N 3.44Š|
| 347 | V | 81.5 | Confident | 89.2 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -42.9 | -174.4 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | F10 C344 M345 | F10-V347 HydrophobicContact CD2-CG1 4.34Å; C344-V347 PolarHBondContact O-N 3.28Å; M345-V347 PolarHBondContact O-N 2.99Å |
| 348 | C | 87 | Confident | 89.2 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 8% | 0.081 | 24% | 0.242 | C | C | . | . | trans | -145.2 | 157.9 | -177.7 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | I13 E85 A86 C344 | I13-C348 VanDerWaalsContact CD1-C 3.43Å; E85-C348 CarbonylContact O-C 3.56Å; E85-C348 VanDerWaalsContact O-CA 3.26Å; E85-C348 WeakPolarHBondContact O-CA 3.29Å; E85-C348 VanDerWaalsContact O-CB 3.23Å; E85-C348 WeakPolarHBondContact O-CB 3.45Å; A86-C348 HydrophobicContact CB-CB 3.91Å; C344-C348 VanDerWaalsContact CA-SG 3.53Å; C344-C348 PolarHBondContact O-N 3.21Å | ||
| 349 | R | 87.4 | Confident | 89.3 | Confident | 89 Ų | 89 | 44.9 Ų | 44.9 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.9 | 175.5 | 173 | 173.1 | 73.9 | 168.4 | 8.1 | 109.1 | I13 Y16 T84 E85 W118 I351 | I13-R349 HydrophobicContact CD1-CB 4.06Å; Y16-R349 HydrophobicContact CE2-CB 4.38Å; Y16-R349 HydrophobicContact CE2-CG 4.17Å; T84-R349 CarbonylContact C-O 3.58Å; T84-R349 VanDerWaalsContact CA-O 3.25Å; T84-R349 WeakPolarHBondContact CA-O 3.26Å; E85-R349 PolarHBondContact N-O 2.87Å; E85-R349 PolarHBondContact O-N 3.44Å; E85-R349 IonicContact OE1-NH2 3.73Å; E85-R349 IonicContact OE2-CZ 3.72Å; E85-R349 IonicContact OE2-NE 2.69Å; E85-R349 PolarHBondContact OE2-NE 2.7Å; E85-R349 IonicContact OE2-NH2 3.1Å; E85-R349 PolarHBondContact OE2-NH2 3.49Å; W118-R349 HydrophobicContact CZ3-CB 4.42Å; R349-I351 PolarHBondContact O-N 3.26Å |
| 350 | V | 90.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 125.8 | 167.2 | -179 | 0 | 0 | 0 | 0 | 108.9 | T84 Y317 C344 Q353 | T84-V350 HydrophobicContact CG2-CG2 4.32Å; Y317-V350 HydrophobicContact CD1-CB 4.34Å; Y317-V350 HydrophobicContact CD1-CG1 4.22Å; Y317-V350 HydrophobicContact CE1-CB 3.6Å; Y317-V350 HydrophobicContact CE1-CG1 3.95Å; Y317-V350 HydrophobicContact CE1-CG2 4.05Å; Y317-V350 PolarHBondContact OH-O 3.27Å; C344-V350 HydrophobicContact CB-CG2 4.11Å; V350-Q353 HydrophobicContact CG1-CG 3.51Å |
| 351 | I | 90.7 | Very high | 89.4 | Confident | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.179 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -48.3 | 174.6 | -67 | 173.4 | 0 | 0 | 0 | 110 | F83 E85 L127 F284 R349 | F83-I351 HydrophobicContact CD1-CB 4.08Å; F83-I351 HydrophobicContact CD1-CD1 4.16Å; F83-I351 HydrophobicContact CD1-CG2 4.22Å; F83-I351 HydrophobicContact CE1-CD1 4.14Å; F83-I351 PolarHBondContact O-N 2.9Å; E85-I351 HydrophobicContact CB-CD1 3.7Å; E85-I351 HydrophobicContact CB-CG1 4.09Å; E85-I351 HydrophobicContact CG-CD1 4.47Å; L127-I351 HydrophobicContact CD2-CG2 4.34Å; F284-I351 HydrophobicContact CD1-CD1 3.55Å; F284-I351 HydrophobicContact CE1-CD1 3.52Å; R349-I351 PolarHBondContact O-N 3.26Å |
| 352 | R | 92.5 | Very high | 89.6 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 27% | 0.272 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 141.6 | -174 | -166.2 | 59.3 | 59.8 | 99.1 | -15.4 | 109.9 | F83 L127 F128 E314 Q315 D316 | F83-R352 WeakPolarHBondContact CA-O 3.15Å; F83-R352 HydrophobicContact CB-CB 4.38Å; F83-R352 WeakPolarHBondContact CB-O 3.19Å; F83-R352 PolarHBondContact N-O 2.93Å; F83-R352 PolarHBondContact O-N 2.77Å; L127-R352 HydrophobicContact CD2-CB 4.42Å; F128-R352 HydrophobicContact CE2-CG 4.07Å; F128-R352 HydrophobicContact CZ-CB 4.18Å; F128-R352 HydrophobicContact CZ-CG 3.73Å; E314-R352 HydrophobicContact CG-CG 3.82Å; E314-R352 WeakPolarHBondContact OE1-CG 3.41Å; E314-R352 IonicContact OE1-CZ 3.73Å; E314-R352 IonicContact OE1-NH1 2.85Å; E314-R352 PolarHBondContact OE1-NH1 3.01Å; Q315-R352 VanDerWaalsContact C-CD 3.43Å; Q315-R352 VanDerWaalsContact O-CD 3.25Å; Q315-R352 WeakPolarHBondContact O-CD 3.37Å; D316-R352 IonicContact OD1-CZ 3.43Å; D316-R352 IonicContact OD1-NE 2.79Å; D316-R352 PolarHBondContact OD1-NE 3Å; D316-R352 IonicContact OD1-NH2 2.75Å; D316-R352 PolarHBondContact OD1-NH2 2.83Å |
| 353 | Q | 94.6 | Very high | 90 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148 | 172 | -65.2 | -171.7 | -46.2 | 0 | 0 | 109.7 | E81 S82 E314 Q315 I318 V350 | E81-Q353 VanDerWaalsContact O-CA 3.31Å; E81-Q353 WeakPolarHBondContact O-CA 3.3Å; S82-Q353 WeakPolarHBondContact OG-CG 3.47Å; S82-Q353 PolarHBondContact OG-NE2 2.84Å; E314-Q353 WeakPolarHBondContact CA-O 3.38Å; Q315-Q353 PolarHBondContact N-O 3.36Å; Q315-Q353 CarbonylContact O-C 3.54Å; Q315-Q353 PolarHBondContact O-N 2.97Å; I318-Q353 HydrophobicContact CB-CB 4.45Å; I318-Q353 HydrophobicContact CG1-CB 4.33Å; I318-Q353 HydrophobicContact CG2-CB 3.7Å; V350-Q353 HydrophobicContact CG1-CG 3.51Å |
| 354 | R | 94.9 | Very high | 90.3 | Very high | 57 Ų | 57 | 28.7 Ų | 28.7 | 22% | 0.215 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.3 | 167.3 | 70.8 | -177.7 | 176.1 | -168.8 | -1.1 | 109.9 | E81 F128 E313 E314 Y356 | E81-R354 HydrophobicContact CB-CG 3.97Å; E81-R354 PolarHBondContact N-O 2.86Å; E81-R354 PolarHBondContact O-N 3.31Å; E81-R354 IonicContact OE1-NH2 2.57Å; E81-R354 IonicContact OE2-CZ 2.73Å; E81-R354 IonicContact OE2-NE 3.17Å; E81-R354 PolarHBondContact OE2-NE 3.42Å; E81-R354 IonicContact OE2-NH2 3.74Å; E81-R354 PolarHBondContact OE2-NH2 3.41Å; F128-R354 HydrophobicContact CD1-CG 4.21Å; F128-R354 HydrophobicContact CE1-CB 4.19Å; F128-R354 HydrophobicContact CE1-CG 3.59Å; F128-R354 HydrophobicContact CE2-CB 4.36Å; F128-R354 HydrophobicContact CE2-CG 4.02Å; F128-R354 HydrophobicContact CZ-CB 3.71Å; F128-R354 HydrophobicContact CZ-CG 3.47Å; F128-R354 VanDerWaalsContact CZ-CG 3.47Å; E313-R354 CarbonylContact O-C 3.5Å; E313-R354 WeakPolarHBondContact O-CA 3.48Å; E313-R354 WeakPolarHBondContact O-CB 3.44Å; E314-R354 HydrophobicContact CB-CB 3.94Å; E314-R354 HydrophobicContact CG-CB 4.12Å; R354-Y356 HydrophobicContact CG-CD1 4.38Å; R354-Y356 HydrophobicContact CG-CE1 4.46Å |
| 355 | H | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.9 | 165.7 | 61.1 | 177.4 | 0 | 0 | 0 | 110.2 | Y78 I79 L80 F311 E312 E313 I318 I321 | Y78-H355 HydrophobicContact CE2-CB 3.77Å; Y78-H355 AromaticContact CE2-ND1 3.77Å; Y78-H355 AromaticContact CZ-ND1 3.98Å; Y78-H355 PolarHBondContact OH-ND1 3.33Å; I79-H355 CarbonylContact O-C 3.53Å; I79-H355 WeakPolarHBondContact O-CA 3.27Å; I79-H355 VanDerWaalsContact O-CB 3.25Å; I79-H355 WeakPolarHBondContact O-CB 3.4Å; L80-H355 HydrophobicContact CD1-CB 4.03Å; F311-H355 AromaticContact CE1-CD2 3.49Å; F311-H355 VanDerWaalsContact CE1-CD2 3.49Å; F311-H355 WeakPolarHBondContact CE1-CD2 3.3Å; F311-H355 AromaticContact CE1-CE1 3.85Å; F311-H355 AromaticContact CE1-CG 3.97Å; F311-H355 AromaticContact CE1-NE2 3.41Å; F311-H355 WeakPolarHBondContact CE1-NE2 3.26Å; F311-H355 AromaticContact CZ-NE2 3.54Å; E312-H355 WeakPolarHBondContact CA-O 3.47Å; E313-H355 PolarHBondContact N-O 2.66Å; E313-H355 PolarHBondContact O-N 3.31Å; E313-H355 IonicContact OE2-NE2 3.98Å; E313-H355 PolarHBondContact OE2-NE2 2.93Å; I318-H355 HydrophobicContact CD1-CB 3.97Å; I318-H355 WeakPolarHBondContact CD1-ND1 3.37Å; I321-H355 WeakPolarHBondContact CG1-CE1 3.35Å |
| 356 | Y | 93.6 | Very high | 91.4 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 8% | 0.078 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156.3 | 179.2 | 53.5 | -88.5 | 0 | 0 | 0 | 110.2 | I79 E81 R309 F311 R354 | I79-Y356 HydrophobicContact CB-CD1 4.42Å; I79-Y356 HydrophobicContact CB-CD2 4.14Å; I79-Y356 HydrophobicContact CB-CE1 4.02Å; I79-Y356 HydrophobicContact CB-CE2 3.76Å; I79-Y356 HydrophobicContact CB-CG 4.48Å; I79-Y356 HydrophobicContact CD1-CD2 3.6Å; I79-Y356 HydrophobicContact CD1-CE2 3.27Å; I79-Y356 HydrophobicContact CG1-CD2 4.38Å; I79-Y356 HydrophobicContact CG1-CE2 3.8Å; I79-Y356 HydrophobicContact CG2-CE1 3.89Å; I79-Y356 HydrophobicContact CG2-CE2 4.24Å; I79-Y356 PolarHBondContact N-O 2.47Å; I79-Y356 PolarHBondContact O-N 2.82Å; E81-Y356 WeakPolarHBondContact OE2-CE1 3.21Å; R309-Y356 VanDerWaalsContact CZ-CG 3.48Å; R309-Y356 VanDerWaalsContact NH2-CE2 3.28Å; F311-Y356 CarbonylContact O-C 3.54Å; F311-Y356 WeakPolarHBondContact O-CA 3.17Å; F311-Y356 WeakPolarHBondContact O-CB 3.5Å; R354-Y356 HydrophobicContact CG-CD1 4.38Å; R354-Y356 HydrophobicContact CG-CE1 4.46Å |
| 357 | M | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.8 | 176.9 | -63.6 | -175.6 | -77.6 | 0 | 0 | 109.8 | I76 H77 Y78 I310 F311 I321 Y324 V329 | I76-M357 HydrophobicContact CG2-CB 3.88Å; I76-M357 HydrophobicContact CG2-CG 3.99Å; I76-M357 HydrophobicContact CG2-SD 3.81Å; H77-M357 CarbonylContact O-C 3.54Å; H77-M357 VanDerWaalsContact O-CA 3.32Å; H77-M357 WeakPolarHBondContact O-CA 3.46Å; Y78-M357 HydrophobicContact CD2-CG 3.8Å; Y78-M357 HydrophobicContact CD2-SD 4.46Å; I310-M357 HydrophobicContact CD1-CB 4.05Å; I310-M357 HydrophobicContact CG1-CB 3.78Å; I310-M357 WeakPolarHBondContact CG1-O 3.46Å; I310-M357 PolarHBondContact N-O 2.8Å; F311-M357 HydrophobicContact CB-CB 4.03Å; F311-M357 HydrophobicContact CB-CE 3.32Å; F311-M357 HydrophobicContact CB-CG 4.29Å; F311-M357 HydrophobicContact CD1-CE 3.72Å; F311-M357 HydrophobicContact CD1-CG 4.27Å; F311-M357 HydrophobicContact CD2-CE 4.14Å; F311-M357 HydrophobicContact CG-CE 3.46Å; F311-M357 VanDerWaalsContact CG-CE 3.46Å; F311-M357 PolarHBondContact N-O 3.28Å; F311-M357 PolarHBondContact O-N 3.35Å; I321-M357 HydrophobicContact CD1-CE 4.19Å; I321-M357 HydrophobicContact CD1-SD 4.45Å; Y324-M357 HydrophobicContact CD1-SD 4.33Å; Y324-M357 HydrophobicContact CD2-CE 3.86Å; Y324-M357 HydrophobicContact CE1-CE 4.4Å; Y324-M357 HydrophobicContact CE1-SD 4.09Å; Y324-M357 HydrophobicContact CE2-CE 3.72Å; Y324-M357 HydrophobicContact CE2-SD 4.45Å; Y324-M357 HydrophobicContact CG-CE 4.26Å; V329-M357 HydrophobicContact CG1-SD 3.56Å; V329-M357 VanDerWaalsContact CG1-SD 3.56Å; V329-M357 HydrophobicContact CG2-SD 4.33Å |
| 358 | N | 93.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 21.6 Ų | 21.6 | 13% | 0.134 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124 | 168.2 | -54.2 | -53.6 | 0 | 0 | 0 | 108.9 | H77 I79 K308 R309 | H77-N358 HydrophobicContact CB-CB 4.3Å; H77-N358 PolarHBondContact N-O 3.26Å; H77-N358 PolarHBondContact O-N 2.85Å; I79-N358 WeakPolarHBondContact CD1-ND2 3.46Å; K308-N358 CarbonylContact O-C 3.4Å; K308-N358 VanDerWaalsContact O-CA 3.3Å; K308-N358 WeakPolarHBondContact O-CA 3.16Å; R309-N358 PolarHBondContact NE-OD1 2.79Å |
| 359 | A | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I35 T74 I76 G307 K308 I310 P361 | I35-A359 HydrophobicContact CD1-CB 3.27Å; I35-A359 HydrophobicContact CG1-CB 3.68Å; T74-A359 HydrophobicContact CG2-CB 3.75Å; I76-A359 HydrophobicContact CD1-CB 4.11Å; G307-A359 CarbonylContact C-O 3.58Å; G307-A359 WeakPolarHBondContact CA-O 3.27Å; K308-A359 PolarHBondContact N-O 3.44Å; K308-A359 PolarHBondContact O-N 3.14Å; I310-A359 HydrophobicContact CB-CB 4.44Å; I310-A359 HydrophobicContact CD1-CB 4.1Å; I310-A359 HydrophobicContact CG1-CB 4.12Å; I310-A359 HydrophobicContact CG2-CB 3.52Å; A359-P361 VanDerWaalsContact O-CD 3.27Å; A359-P361 WeakPolarHBondContact O-CD 3.38Å |
| 360 | I | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 104.5 | 174.7 | -60.1 | 174.6 | 0 | 0 | 0 | 106.7 | T74 S75 H77 Y292 L302 A305 I362 | T74-I360 WeakPolarHBondContact CA-O 3.06Å; S75-I360 PolarHBondContact N-O 2.87Å; S75-I360 WeakPolarHBondContact O-CB 3.36Å; S75-I360 PolarHBondContact O-N 3.29Å; H77-I360 HydrophobicContact CB-CD1 4.11Å; Y292-I360 HydrophobicContact CD1-CD1 4Å; Y292-I360 HydrophobicContact CE1-CD1 3.7Å; L302-I360 HydrophobicContact CB-CD1 4.46Å; L302-I360 HydrophobicContact CD2-CD1 4.4Å; L302-I360 HydrophobicContact CD2-CG2 4.19Å; A305-I360 HydrophobicContact CB-CD1 4.39Å; A305-I360 HydrophobicContact CB-CG2 4.09Å; I360-I362 HydrophobicContact CG2-CG1 4.48Å |
| 361 | P | 92.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 138 | 175.6 | 27.1 | -34.5 | 0 | 0 | 0 | 109.6 | I35 F38 A359 Y379 G380 | I35-P361 HydrophobicContact CG2-CB 3.87Å; F38-P361 HydrophobicContact CE1-CG 4.42Å; F38-P361 HydrophobicContact CE2-CB 3.82Å; F38-P361 HydrophobicContact CE2-CG 3.81Å; F38-P361 HydrophobicContact CZ-CB 3.91Å; F38-P361 HydrophobicContact CZ-CG 3.5Å; F38-P361 VanDerWaalsContact CZ-CG 3.5Å; A359-P361 VanDerWaalsContact O-CD 3.27Å; A359-P361 WeakPolarHBondContact O-CD 3.38Å; P361-Y379 CarbonylContact O-C 3.47Å; P361-Y379 VanDerWaalsContact O-CA 3.24Å; P361-Y379 WeakPolarHBondContact O-CA 3.49Å; P361-G380 PolarHBondContact O-N 2.84Å |
| 362 | I | 93.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.4 | 178.2 | -61.4 | 171.7 | 0 | 0 | 0 | 108 | P72 S73 S295 I297 L302 I360 Y377 V378 | P72-I362 WeakPolarHBondContact CA-O 3.39Å; S73-I362 PolarHBondContact N-O 2.86Å; S73-I362 CarbonylContact O-C 3.58Å; S73-I362 WeakPolarHBondContact O-CA 3.44Å; S73-I362 PolarHBondContact O-N 3.18Å; S73-I362 WeakPolarHBondContact OG-CB 3.39Å; S73-I362 WeakPolarHBondContact OG-CG2 3.35Å; S295-I362 VanDerWaalsContact OG-CD1 3.24Å; S295-I362 WeakPolarHBondContact OG-CD1 3.44Å; I297-I362 HydrophobicContact CD1-CD1 3.91Å; I297-I362 HydrophobicContact CD1-CG1 3.96Å; I297-I362 HydrophobicContact CD1-CG2 3.78Å; I297-I362 HydrophobicContact CG1-CD1 4.43Å; I297-I362 HydrophobicContact CG1-CG2 4.46Å; L302-I362 HydrophobicContact CD2-CD1 4.37Å; I360-I362 HydrophobicContact CG2-CG1 4.48Å; I362-Y377 HydrophobicContact CG2-CD1 4.12Å; I362-V378 CarbonylContact C-O 3.5Å; I362-V378 WeakPolarHBondContact CA-O 3.28Å |
| 363 | S | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 113.1 | 174.2 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | F38 Y377 V378 | F38-S363 WeakPolarHBondContact CB-OG 3.34Å; F38-S363 PolarHBondContact N-OG 3.16Å; S363-Y377 CarbonylContact O-C 3.56Å; S363-Y377 WeakPolarHBondContact O-CA 3.42Å; S363-V378 PolarHBondContact N-O 3.49Å; S363-V378 PolarHBondContact O-N 3.38Å |
| 364 | K | 94.8 | Very high | 90.7 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 112 | 176.4 | 177.1 | 179.7 | -176.7 | 172.5 | 0 | 108.3 | I70 E71 E296 Y377 | I70-K364 WeakPolarHBondContact CA-O 3.34Å; E71-K364 HydrophobicContact CB-CB 4.25Å; E71-K364 PolarHBondContact N-O 2.91Å; E71-K364 PolarHBondContact O-N 3.37Å; E296-K364 VanDerWaalsContact CD-NZ 3.28Å; E296-K364 IonicContact OE1-NZ 2.82Å; E296-K364 PolarHBondContact OE1-NZ 2.82Å; E296-K364 WeakPolarHBondContact OE2-CD 3.23Å; E296-K364 VanDerWaalsContact OE2-CE 3.27Å; E296-K364 WeakPolarHBondContact OE2-CE 3.2Å; E296-K364 IonicContact OE2-NZ 2.95Å; E296-K364 PolarHBondContact OE2-NZ 2.92Å; K364-Y377 HydrophobicContact CB-CD1 4.01Å; K364-Y377 HydrophobicContact CB-CE1 3.87Å; K364-Y377 HydrophobicContact CD-CE1 3.92Å; K364-Y377 HydrophobicContact CG-CD1 4.3Å; K364-Y377 HydrophobicContact CG-CE1 3.77Å |
| 365 | V | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.8 | -176.8 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | C43 F67 I70 I375 F376 V378 | C43-V365 HydrophobicContact CB-CG2 4.01Å; F67-V365 HydrophobicContact CB-CG1 4.18Å; F67-V365 HydrophobicContact CD1-CG1 4.07Å; F67-V365 HydrophobicContact CD2-CG1 3.69Å; F67-V365 HydrophobicContact CE1-CG1 4.42Å; F67-V365 HydrophobicContact CE2-CG1 4.07Å; F67-V365 HydrophobicContact CG-CG1 3.72Å; F67-V365 HydrophobicContact CZ-CG1 4.44Å; I70-V365 HydrophobicContact CG1-CG1 4.37Å; I70-V365 HydrophobicContact CG1-CG2 4.31Å; I70-V365 HydrophobicContact CG2-CG2 4.39Å; V365-I375 WeakPolarHBondContact O-CA 3.35Å; V365-F376 HydrophobicContact CB-CD1 3.95Å; V365-F376 HydrophobicContact CB-CD2 4.4Å; V365-F376 HydrophobicContact CB-CE1 3.52Å; V365-F376 HydrophobicContact CB-CE2 4.02Å; V365-F376 HydrophobicContact CB-CG 4.37Å; V365-F376 HydrophobicContact CB-CZ 3.55Å; V365-F376 HydrophobicContact CG1-CD1 4.23Å; V365-F376 HydrophobicContact CG1-CE1 3.41Å; V365-F376 VanDerWaalsContact CG1-CE1 3.41Å; V365-F376 HydrophobicContact CG1-CZ 3.59Å; V365-F376 HydrophobicContact CG2-CE1 4.27Å; V365-F376 HydrophobicContact CG2-CE2 3.93Å; V365-F376 HydrophobicContact CG2-CZ 3.77Å; V365-F376 PolarHBondContact N-O 3.1Å; V365-F376 PolarHBondContact O-N 3.29Å; V365-F376 VanDerWaalsContact O-N 3.07Å; V365-V378 HydrophobicContact CG2-CG2 4.42Å |
| 366 | H | 93.6 | Very high | 90.5 | Very high | 44 Ų | 44 | 35.3 Ų | 35.3 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.1 | 166.2 | -63 | -96.3 | 0 | 0 | 0 | 108.3 | D68 R69 E71 | D68-H366 PolarHBondContact N-O 2.82Å; R69-H366 HydrophobicContact CB-CB 4.14Å; R69-H366 PolarHBondContact N-O 2.99Å; R69-H366 PolarHBondContact NH2-NE2 2.68Å; R69-H366 PolarHBondContact O-N 2.86Å; E71-H366 IonicContact OE2-NE2 2.8Å; E71-H366 PolarHBondContact OE2-NE2 3.43Å |
| 367 | F | 91 | Very high | 90.5 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.8 | 179.9 | 71.4 | -86 | 0 | 0 | 0 | 112 | M65 N66 F67 K373 G374 F376 F387 F390 | M65-F367 HydrophobicContact CE-CD2 4.1Å; M65-F367 HydrophobicContact CE-CE2 3.68Å; M65-F367 HydrophobicContact CE-CZ 4.26Å; M65-F367 HydrophobicContact CG-CD2 4.22Å; M65-F367 HydrophobicContact SD-CD2 4.07Å; M65-F367 HydrophobicContact SD-CE2 4.24Å; N66-F367 CarbonylContact O-C 3.55Å; N66-F367 WeakPolarHBondContact O-CA 3.23Å; N66-F367 VanDerWaalsContact O-CB 3.28Å; N66-F367 WeakPolarHBondContact O-CB 3.42Å; F67-F367 HydrophobicContact CD1-CB 4.15Å; F367-K373 WeakPolarHBondContact O-CA 3.27Å; F367-G374 WeakPolarHBondContact CD1-O 3.48Å; F367-G374 PolarHBondContact N-O 2.61Å; F367-G374 PolarHBondContact O-N 3.16Å; F367-F376 AromaticContact CD1-CD1 3.48Å; F367-F376 HydrophobicContact CD1-CD1 3.48Å; F367-F376 VanDerWaalsContact CD1-CD1 3.48Å; F367-F376 AromaticContact CD1-CE1 3.89Å; F367-F376 HydrophobicContact CD1-CE1 3.89Å; F367-F376 AromaticContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CG-CD1 4.42Å; F367-F376 HydrophobicContact CG-CE1 4.45Å; F367-F387 HydrophobicContact CE1-CE1 4.39Å; F367-F390 HydrophobicContact CZ-CE2 4.5Å |
| 368 | S | 89.4 | Confident | 90.5 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138 | 170 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | N66 D68 E372 | N66-S368 PolarHBondContact N-O 3.29Å; N66-S368 PolarHBondContact O-N 2.76Å; D68-S368 PolarHBondContact OD1-OG 3.08Å; D68-S368 VanDerWaalsContact OD2-CB 3.24Å; D68-S368 WeakPolarHBondContact OD2-CB 3.41Å; D68-S368 PolarHBondContact OD2-N 2.77Å; D68-S368 PolarHBondContact OD2-OG 3.37Å; S368-E372 WeakPolarHBondContact CA-O 3.49Å |
| 369 | L | 85.3 | Confident | 90.5 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 105.5 | 176.6 | 179.4 | 68.8 | 0 | 0 | 0 | 109.1 | T61 K64 M65 G371 E372 L397 | T61-L369 HydrophobicContact CG2-CD1 3.78Å; T61-L369 HydrophobicContact CG2-CD2 3.4Å; T61-L369 HydrophobicContact CG2-CG 4.18Å; K64-L369 HydrophobicContact CB-CD1 4.01Å; M65-L369 HydrophobicContact CE-CD2 4.01Å; M65-L369 HydrophobicContact CG-CB 4.24Å; M65-L369 HydrophobicContact CG-CD1 3.91Å; M65-L369 HydrophobicContact CG-CD2 4.43Å; M65-L369 HydrophobicContact CG-CG 4.41Å; L369-G371 PolarHBondContact O-N 3.01Å; L369-E372 PolarHBondContact N-O 3.4Å; L369-E372 PolarHBondContact O-N 2.93Å; L369-L397 HydrophobicContact CD2-CD2 3.74Å |
| 370 | G | 80.1 | Confident | 90.6 | Very high | 87 Ų | 87 | 34.1 Ų | 34.1 | 90% | 0.897 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -103.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 371 | G | 79.5 | Confident | 90.4 | Very high | 78 Ų | 78 | 37.1 Ų | 37.1 | 80% | 0.804 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -7.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | L369 | L369-G371 PolarHBondContact O-N 3.01Š|
| 372 | E | 82.8 | Confident | 90.3 | Very high | 120 Ų | 120 | 39.3 Ų | 39.3 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 141.4 | -179.5 | -68.3 | -66.8 | 152.7 | 0 | 0 | 110.4 | S368 L369 I396 | S368-E372 WeakPolarHBondContact CA-O 3.49Å; L369-E372 PolarHBondContact N-O 3.4Å; L369-E372 PolarHBondContact O-N 2.93Å; E372-I396 HydrophobicContact CG-CG2 4.27Å |
| 373 | K | 88.1 | Confident | 90.3 | Very high | 177 Ų | 177 | 41.8 Ų | 41.8 | 77% | 0.77 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.6 | 174.8 | -66.2 | -175.7 | -180 | -177.6 | 0 | 109.7 | F367 | F367-K373 WeakPolarHBondContact O-CA 3.27Å |
| 374 | G | 88.9 | Confident | 90.2 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 171.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F367 | F367-G374 WeakPolarHBondContact CD1-O 3.48Å; F367-G374 PolarHBondContact N-O 2.61Å; F367-G374 PolarHBondContact O-N 3.16Å |
| 375 | I | 92.2 | Very high | 90.1 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.5 | 173.1 | 60.1 | 174.9 | 0 | 0 | 0 | 109.8 | V365 Y377 P388 | V365-I375 WeakPolarHBondContact O-CA 3.35Å; I375-Y377 HydrophobicContact CD1-CE2 4.3Å; I375-P388 HydrophobicContact CD1-CG 4.34Å; I375-P388 HydrophobicContact CG1-CG 4.44Å |
| 376 | F | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 164.9 | 164.4 | 74.2 | -87 | 0 | 0 | 0 | 109.6 | L47 F67 V365 F367 V378 Y386 F387 | L47-F376 HydrophobicContact CB-CE2 4.47Å; L47-F376 HydrophobicContact CD2-CE1 4.26Å; L47-F376 HydrophobicContact CD2-CZ 4.02Å; F67-F376 HydrophobicContact CE1-CE1 4.04Å; F67-F376 HydrophobicContact CE1-CZ 4.09Å; F67-F376 HydrophobicContact CE2-CZ 4.02Å; F67-F376 HydrophobicContact CZ-CE1 4.05Å; F67-F376 AromaticContact CZ-CZ 3.61Å; F67-F376 HydrophobicContact CZ-CZ 3.61Å; V365-F376 HydrophobicContact CB-CD1 3.95Å; V365-F376 HydrophobicContact CB-CD2 4.4Å; V365-F376 HydrophobicContact CB-CE1 3.52Å; V365-F376 HydrophobicContact CB-CE2 4.02Å; V365-F376 HydrophobicContact CB-CG 4.37Å; V365-F376 HydrophobicContact CB-CZ 3.55Å; V365-F376 HydrophobicContact CG1-CD1 4.23Å; V365-F376 HydrophobicContact CG1-CE1 3.41Å; V365-F376 VanDerWaalsContact CG1-CE1 3.41Å; V365-F376 HydrophobicContact CG1-CZ 3.59Å; V365-F376 HydrophobicContact CG2-CE1 4.27Å; V365-F376 HydrophobicContact CG2-CE2 3.93Å; V365-F376 HydrophobicContact CG2-CZ 3.77Å; V365-F376 PolarHBondContact N-O 3.1Å; V365-F376 PolarHBondContact O-N 3.29Å; V365-F376 VanDerWaalsContact O-N 3.07Å; F367-F376 AromaticContact CD1-CD1 3.48Å; F367-F376 HydrophobicContact CD1-CD1 3.48Å; F367-F376 VanDerWaalsContact CD1-CD1 3.48Å; F367-F376 AromaticContact CD1-CE1 3.89Å; F367-F376 HydrophobicContact CD1-CE1 3.89Å; F367-F376 AromaticContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CG-CD1 4.42Å; F367-F376 HydrophobicContact CG-CE1 4.45Å; F376-V378 HydrophobicContact CD2-CG2 4.07Å; F376-V378 HydrophobicContact CE2-CG2 3.55Å; F376-Y386 CarbonylContact C-O 3.56Å; F376-Y386 WeakPolarHBondContact CA-O 3.34Å; F376-Y386 WeakPolarHBondContact CB-O 3.33Å; F376-F387 HydrophobicContact CB-CD1 3.47Å; F376-F387 VanDerWaalsContact CB-CD1 3.47Å; F376-F387 HydrophobicContact CB-CD2 4.17Å; F376-F387 HydrophobicContact CB-CE1 3.34Å; F376-F387 HydrophobicContact CB-CE2 4.03Å; F376-F387 HydrophobicContact CB-CG 3.89Å; F376-F387 HydrophobicContact CB-CZ 3.63Å; F376-F387 HydrophobicContact CD1-CE1 4.09Å; F376-F387 HydrophobicContact CD1-CZ 4.26Å; F376-F387 HydrophobicContact CD2-CZ 4.21Å; F376-F387 HydrophobicContact CG-CD1 4.44Å; F376-F387 AromaticContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE2 4.41Å; F376-F387 AromaticContact CG-CZ 3.8Å; F376-F387 HydrophobicContact CG-CZ 3.8Å |
| 377 | Y | 93.9 | Very high | 89.8 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.3 | -176.9 | -58.7 | -102.9 | 0 | 0 | 0 | 108.5 | E296 I297 I362 S363 K364 I375 C385 Y386 P388 | E296-Y377 HydrophobicContact CB-CE1 3.79Å; E296-Y377 WeakPolarHBondContact OE2-CE1 3.35Å; E296-Y377 PolarHBondContact OE2-OH 3.45Å; I297-Y377 HydrophobicContact CD1-CD1 4.33Å; I297-Y377 HydrophobicContact CD1-CG 4.31Å; I297-Y377 HydrophobicContact CG1-CD1 4.02Å; I297-Y377 HydrophobicContact CG1-CG 4.11Å; I362-Y377 HydrophobicContact CG2-CD1 4.12Å; S363-Y377 CarbonylContact O-C 3.56Å; S363-Y377 WeakPolarHBondContact O-CA 3.42Å; K364-Y377 HydrophobicContact CB-CD1 4.01Å; K364-Y377 HydrophobicContact CB-CE1 3.87Å; K364-Y377 HydrophobicContact CD-CE1 3.92Å; K364-Y377 HydrophobicContact CG-CD1 4.3Å; K364-Y377 HydrophobicContact CG-CE1 3.77Å; I375-Y377 HydrophobicContact CD1-CE2 4.3Å; Y377-C385 CarbonylContact O-C 3.57Å; Y377-C385 VanDerWaalsContact O-CA 3.24Å; Y377-C385 WeakPolarHBondContact O-CA 3.09Å; Y377-Y386 AromaticContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CE1 4.35Å; Y377-Y386 HydrophobicContact CE2-CD1 4.44Å; Y377-Y386 HydrophobicContact CG-CD1 4.27Å; Y377-Y386 PolarHBondContact N-O 2.93Å; Y377-Y386 PolarHBondContact O-N 3.49Å; Y377-P388 HydrophobicContact CD2-CG 3.99Å; Y377-P388 HydrophobicContact CE2-CG 3.36Å |
| 378 | V | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.8 | 165.3 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | F38 C43 A46 I362 S363 V365 F376 K383 L384 | F38-V378 HydrophobicContact CD2-CB 4.3Å; F38-V378 HydrophobicContact CD2-CG1 3.89Å; F38-V378 HydrophobicContact CE2-CG1 4.21Å; F38-V378 HydrophobicContact CG-CG1 4.41Å; C43-V378 HydrophobicContact CB-CG2 4.11Å; A46-V378 HydrophobicContact CB-CG1 3.77Å; A46-V378 HydrophobicContact CB-CG2 4.27Å; I362-V378 CarbonylContact C-O 3.5Å; I362-V378 WeakPolarHBondContact CA-O 3.28Å; S363-V378 PolarHBondContact N-O 3.49Å; S363-V378 PolarHBondContact O-N 3.38Å; V365-V378 HydrophobicContact CG2-CG2 4.42Å; F376-V378 HydrophobicContact CD2-CG2 4.07Å; F376-V378 HydrophobicContact CE2-CG2 3.55Å; V378-K383 HydrophobicContact CG1-CB 4.02Å; V378-L384 CarbonylContact C-O 3.53Å; V378-L384 VanDerWaalsContact CA-O 3.24Å; V378-L384 WeakPolarHBondContact CA-O 3.47Å |
| 379 | Y | 93.8 | Very high | 88.4 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 155.2 | -172.3 | 67.3 | -77.3 | 0 | 0 | 0 | 114.1 | I297 L301 L302 A305 P361 L384 | I297-Y379 VanDerWaalsContact CD1-CB 3.44Å; I297-Y379 HydrophobicContact CD1-CD1 3.72Å; I297-Y379 HydrophobicContact CD1-CD2 4.21Å; I297-Y379 HydrophobicContact CD1-CG 3.53Å; L301-Y379 HydrophobicContact CB-CE2 4.21Å; L302-Y379 HydrophobicContact CD2-CD2 4.5Å; A305-Y379 HydrophobicContact CB-CD2 3.71Å; A305-Y379 HydrophobicContact CB-CE2 3.84Å; P361-Y379 CarbonylContact O-C 3.47Å; P361-Y379 VanDerWaalsContact O-CA 3.24Å; P361-Y379 WeakPolarHBondContact O-CA 3.49Å; Y379-L384 HydrophobicContact CD1-CB 4.1Å; Y379-L384 VanDerWaalsContact CD1-O 3.23Å; Y379-L384 WeakPolarHBondContact CD1-O 3.23Å; Y379-L384 HydrophobicContact CD2-CB 4.4Å; Y379-L384 HydrophobicContact CE1-CB 3.61Å; Y379-L384 HydrophobicContact CE2-CB 3.97Å; Y379-L384 HydrophobicContact CE2-CD1 3.9Å; Y379-L384 HydrophobicContact CG-CB 4.45Å; Y379-L384 PolarHBondContact N-O 3.13Å; Y379-L384 PolarHBondContact O-N 2.92Å |
| 380 | G | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 159.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F38 E306 P361 Q382 K383 | F38-G380 WeakPolarHBondContact CZ-O 3.42Å; E306-G380 CarbonylContact O-C 3.57Å; E306-G380 WeakPolarHBondContact O-CA 3.48Å; P361-G380 PolarHBondContact O-N 2.84Å; G380-Q382 PolarHBondContact O-N 2.96Å; G380-K383 PolarHBondContact O-N 3.22Å |
| 381 | T | 90.4 | Very high | 85.5 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.8 | -179.9 | 53 | 0 | 0 | 0 | 0 | 112.4 | E306 K383 | E306-T381 WeakPolarHBondContact CB-OG1 3.39Å; E306-T381 PolarHBondContact O-N 3.13Å; E306-T381 PolarHBondContact O-OG1 2.82Å; T381-K383 PolarHBondContact O-N 3.02Å |
| 382 | Q | 90.9 | Very high | 84 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2.2 | 171.2 | 56.6 | -107.7 | 39.8 | 0 | 0 | 115.7 | Q304 E306 G380 L384 | Q304-Q382 PolarHBondContact O-NE2 3.2Å; E306-Q382 VanDerWaalsContact N-NE2 3.11Å; E306-Q382 VanDerWaalsContact N-OE1 3.12Å; G380-Q382 PolarHBondContact O-N 2.96Å; Q382-L384 HydrophobicContact CG-CD1 3.92Å; Q382-L384 HydrophobicContact CG-CD2 3.96Å; Q382-L384 HydrophobicContact CG-CG 3.56Å |
| 383 | K | 92.7 | Very high | 82.1 | Confident | 56 Ų | 56 | 58 Ų | 58 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 56.5 | 179.3 | -50.8 | 173.1 | -177.3 | 174.4 | 0 | 112.9 | F38 E42 E45 A46 V378 G380 T381 | F38-K383 HydrophobicContact CD1-CG 4.38Å; F38-K383 HydrophobicContact CE1-CG 3.9Å; F38-K383 HydrophobicContact CZ-CG 4.18Å; E42-K383 HydrophobicContact CB-CD 4.42Å; E45-K383 IonicContact OE2-NZ 2.74Å; E45-K383 PolarHBondContact OE2-NZ 2.95Å; A46-K383 HydrophobicContact CB-CB 3.81Å; A46-K383 WeakPolarHBondContact CB-O 3.27Å; V378-K383 HydrophobicContact CG1-CB 4.02Å; G380-K383 PolarHBondContact O-N 3.22Å; T381-K383 PolarHBondContact O-N 3.02Å |
| 384 | L | 93.1 | Very high | 80 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 151.7 | 174.8 | -62.5 | 175.1 | 0 | 0 | 0 | 110.7 | V378 Y379 Q382 | V378-L384 CarbonylContact C-O 3.53Å; V378-L384 VanDerWaalsContact CA-O 3.24Å; V378-L384 WeakPolarHBondContact CA-O 3.47Å; Y379-L384 HydrophobicContact CD1-CB 4.1Å; Y379-L384 VanDerWaalsContact CD1-O 3.23Å; Y379-L384 WeakPolarHBondContact CD1-O 3.23Å; Y379-L384 HydrophobicContact CD2-CB 4.4Å; Y379-L384 HydrophobicContact CE1-CB 3.61Å; Y379-L384 HydrophobicContact CE2-CB 3.97Å; Y379-L384 HydrophobicContact CE2-CD1 3.9Å; Y379-L384 HydrophobicContact CG-CB 4.45Å; Y379-L384 PolarHBondContact N-O 3.13Å; Y379-L384 PolarHBondContact O-N 2.92Å; Q382-L384 HydrophobicContact CG-CD1 3.92Å; Q382-L384 HydrophobicContact CG-CD2 3.96Å; Q382-L384 HydrophobicContact CG-CG 3.56Å |
| 385 | C | 92.9 | Very high | 77.8 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.7 | 177 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | A46 E50 Y377 F387 | A46-C385 VanDerWaalsContact C-SG 3.57Å; E50-C385 HydrophobicContact CB-CB 4Å; E50-C385 HydrophobicContact CG-CB 3.93Å; Y377-C385 CarbonylContact O-C 3.57Å; Y377-C385 VanDerWaalsContact O-CA 3.24Å; Y377-C385 WeakPolarHBondContact O-CA 3.09Å; C385-F387 HydrophobicContact CB-CE2 4.21Å |
| 386 | Y | 91.1 | Very high | 75.3 | Confident | 53 Ų | 53 | 60 Ų | 60 | 21% | 0.208 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.6 | 174.3 | 168.6 | -119 | 0 | 0 | 0 | 110.9 | I297 P298 L301 F376 Y377 P388 | I297-Y386 HydrophobicContact CG1-CD1 4.31Å; I297-Y386 HydrophobicContact CG2-CD1 4.4Å; P298-Y386 HydrophobicContact CG-CE1 4.32Å; P298-Y386 HydrophobicContact CG-CE2 4.5Å; L301-Y386 HydrophobicContact CD1-CD1 4.39Å; L301-Y386 HydrophobicContact CD1-CD2 3.32Å; L301-Y386 HydrophobicContact CD1-CE2 3.74Å; L301-Y386 HydrophobicContact CD1-CG 3.7Å; F376-Y386 CarbonylContact C-O 3.56Å; F376-Y386 WeakPolarHBondContact CA-O 3.34Å; F376-Y386 WeakPolarHBondContact CB-O 3.33Å; Y377-Y386 AromaticContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CE1 4.35Å; Y377-Y386 HydrophobicContact CE2-CD1 4.44Å; Y377-Y386 HydrophobicContact CG-CD1 4.27Å; Y377-Y386 PolarHBondContact N-O 2.93Å; Y377-Y386 PolarHBondContact O-N 3.49Å; Y386-P388 HydrophobicContact CD1-CG 4.37Å; Y386-P388 HydrophobicContact CE1-CB 4.22Å; Y386-P388 HydrophobicContact CE1-CG 3.8Å |
| 387 | F | 89.4 | Confident | 73.1 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | trans | -122.5 | 112 | 178.1 | -70.1 | -101.9 | 0 | 0 | 0 | 109.6 | L47 W57 F367 F376 C385 F390 | L47-F387 HydrophobicContact CD1-CE2 4.11Å; L47-F387 HydrophobicContact CD1-CZ 3.6Å; W57-F387 AromaticContact CH2-CD2 3.74Å; W57-F387 HydrophobicContact CH2-CD2 3.74Å; W57-F387 AromaticContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CE2 3.47Å; W57-F387 VanDerWaalsContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CZ 4.16Å; W57-F387 AromaticContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CZ 4.21Å; F367-F387 HydrophobicContact CE1-CE1 4.39Å; F376-F387 HydrophobicContact CB-CD1 3.47Å; F376-F387 VanDerWaalsContact CB-CD1 3.47Å; F376-F387 HydrophobicContact CB-CD2 4.17Å; F376-F387 HydrophobicContact CB-CE1 3.34Å; F376-F387 HydrophobicContact CB-CE2 4.03Å; F376-F387 HydrophobicContact CB-CG 3.89Å; F376-F387 HydrophobicContact CB-CZ 3.63Å; F376-F387 HydrophobicContact CD1-CE1 4.09Å; F376-F387 HydrophobicContact CD1-CZ 4.26Å; F376-F387 HydrophobicContact CD2-CZ 4.21Å; F376-F387 HydrophobicContact CG-CD1 4.44Å; F376-F387 AromaticContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE2 4.41Å; F376-F387 AromaticContact CG-CZ 3.8Å; F376-F387 HydrophobicContact CG-CZ 3.8Å; C385-F387 HydrophobicContact CB-CE2 4.21Å; F387-F390 HydrophobicContact CB-CB 3.84Å; F387-F390 HydrophobicContact CD1-CB 4.42Å; F387-F390 AromaticContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CG 4.32Å; F387-F390 HydrophobicContact CE1-CD2 4.47Å; F387-F390 HydrophobicContact CG-CB 4.41Å | ||
| 388 | P | 81.9 | Confident | 72.1 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 26% | 0.26 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -40.4 | -175.3 | -18.1 | 26.9 | 0 | 0 | 0 | 114.5 | I375 Y377 Y386 | I375-P388 HydrophobicContact CD1-CG 4.34Å; I375-P388 HydrophobicContact CG1-CG 4.44Å; Y377-P388 HydrophobicContact CD2-CG 3.99Å; Y377-P388 HydrophobicContact CE2-CG 3.36Å; Y386-P388 HydrophobicContact CD1-CG 4.37Å; Y386-P388 HydrophobicContact CE1-CB 4.22Å; Y386-P388 HydrophobicContact CE1-CG 3.8Å |
| 389 | N | 69.3 | Low | 70.9 | Confident | 151 Ų | 151 | 68.6 Ų | 68.6 | 81% | 0.807 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | 34.4 | -167.7 | -69.7 | -29 | 0 | 0 | 0 | 112.9 | ||
| 390 | F | 59.1 | Low | 69.6 | Low | 79 Ų | 79 | 71.9 Ų | 71.9 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | trans | -91.2 | 124.9 | -178.1 | -140.9 | -96.2 | 0 | 0 | 0 | 111.9 | F367 F387 S392 L397 | F367-F390 HydrophobicContact CZ-CE2 4.5Å; F387-F390 HydrophobicContact CB-CB 3.84Å; F387-F390 HydrophobicContact CD1-CB 4.42Å; F387-F390 AromaticContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CG 4.32Å; F387-F390 HydrophobicContact CE1-CD2 4.47Å; F387-F390 HydrophobicContact CG-CB 4.41Å; F390-S392 PolarHBondContact O-N 3.19Å; F390-L397 HydrophobicContact CE1-CD1 4.11Å; F390-L397 HydrophobicContact CZ-CD1 4.17Å; F390-L397 HydrophobicContact CZ-CG 4.4Å | ||
| 391 | P | 46.4 | Very low | 68.3 | Low | 72 Ų | 72 | 76.2 Ų | 76.2 | 47% | 0.468 | 42% | 0.415 | S | S | . | . | trans | -64.9 | 131.6 | -172.8 | 23.7 | -31.8 | 0 | 0 | 0 | 111.3 | K393 | P391-K393 PolarHBondContact O-N 2.93Š| ||
| 392 | S | 47.4 | Very low | 66.9 | Low | 132 Ų | 132 | 76.9 Ų | 76.9 | 92% | 0.923 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -62.1 | -7.1 | 177.5 | -19.8 | 0 | 0 | 0 | 0 | 113.5 | F390 | F390-S392 PolarHBondContact O-N 3.19Š|
| 393 | K | 42.4 | Very low | 65.3 | Low | 169 Ų | 169 | 78.5 Ų | 78.5 | 74% | 0.735 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -120.2 | 122.9 | 174.5 | -72.8 | -177.8 | 179 | 177.6 | 0 | 109.9 | P391 V395 | P391-K393 PolarHBondContact O-N 2.93Å; K393-V395 PolarHBondContact O-N 2.83Å |
| 394 | C | 43.5 | Very low | 63.3 | Low | 70 Ų | 70 | 80.1 Ų | 80.1 | 47% | 0.473 | 44% | 0.44 | S | S | . | . | trans | -60.6 | 88.6 | 179.9 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | Y56 | Y56-C394 PolarHBondContact O-SG 3.02Š| ||
| 395 | V | 44.4 | Very low | 61 | Low | 126 Ų | 126 | 83.9 Ų | 83.9 | 76% | 0.764 | 46% | 0.462 | S | S | * | . | trans | -126.6 | -0.8 | 175.7 | -167.3 | 0 | 0 | 0 | 0 | 114.4 | K393 | K393-V395 PolarHBondContact O-N 2.83Š| ||
| 396 | I | 39.7 | Very low | 58.4 | Low | 101 Ų | 101 | 89.8 Ų | 89.8 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | trans | -127.4 | 22.9 | 177 | -40 | -178.8 | 0 | 0 | 0 | 113.1 | E372 | E372-I396 HydrophobicContact CG-CG2 4.27Š| ||
| 397 | L | 45.9 | Very low | 55.4 | Low | 54 Ų | 54 | 93.2 Ų | 93.2 | 28% | 0.283 | 52% | 0.519 | S | S | . | . | trans | -129.2 | 0 | 175.1 | -64.7 | 175.3 | 0 | 0 | 0 | 114.3 | K58 T61 M65 L369 F390 | K58-L397 PolarHBondContact NZ-O 3.21Å; K58-L397 PolarHBondContact NZ-OXT 3.02Å; T61-L397 HydrophobicContact CG2-CD2 3.22Å; T61-L397 HydrophobicContact CG2-CG 4.43Å; T61-L397 PolarHBondContact OG1-OXT 2.89Å; M65-L397 HydrophobicContact CE-CD2 4.3Å; L369-L397 HydrophobicContact CD2-CD2 3.74Å; F390-L397 HydrophobicContact CE1-CD1 4.11Å; F390-L397 HydrophobicContact CZ-CD1 4.17Å; F390-L397 HydrophobicContact CZ-CG 4.4Å |
Retrieved 397 of 397 residues in 206.7 ms
(Link to these results)